Mon 24 Dec 00:40:16 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2gb5-2.3-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/2gb5-2.3-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/2gb5-2.3-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2gb5-2.3-parrot-mrncs Accepted label: fp=FP Accepted label: sigfp=SIGFP Accepted label: phibest=hltofom.Phi_fom.phi Accepted label: fom=hltofom.Phi_fom.fom mtz labels taken: FP SIGFP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Parameter file /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2gb5-2.3-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2gb5-2.3-parrot-mrncs ############### You are running ARP/wARP 8.0 ############### ============================================================ Please cite at least one of the publications below for the ARP/wARP application you are using: Lamzin VS, Wilson KS. (1993) Automated refinement of protein models. Acta Crystallogr D Biol Crystallogr. 49, 129-147 Morris RJ, Perrakis A. Lamzin VS. (2003) ARP/wARP and automatic interpretation of protein electron density maps. In Methods Enzymol. (Carter, C.W. & Sweet, R.M. eds.) 374, 229-244 Langer GG, Hazledine S, Wiegels T, Carolan C, Lamzin VS. (2013) Visual automated macromolecular model building. Acta Crystallogr D Biol Crystallogr. 69, 635-641 Use of Refmac is an essential part of model building with ARP/wARP. Please acknowledge the use of Refmac by citing the following publication: Murshudov GN, Skubak P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. (2011) REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr. 67, 355-367 ============================================================ Mon 24 Dec 00:40:21 GMT 2018 You are running ARP/wARP version 8.0 Entering warp_tracing.sh from COMMAND_LINE_SUBMISSION The working directory: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2gb5-2.3-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2gb5-2.3-parrot-mrncs/arp_warp_classic.par ARP/wARP will run in subdirectory: temp_tracing Checking the estimated solvent content Computed solvent content is outside allowed range. Target number of residues/nucleotides is changed to 488 and 0 Target number of residues in the AU: 488 Target solvent content: 0.5515 Checking the provided sequence file Detected sequence length: 269 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 538 Adjusted target solvent content: 0.51 Input MTZ file: 2gb5-2.3-parrot-mrncs.mtz.cad Column labels for model refinement: FP SIGFP Column labels to obtain initial map: FP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Space group number: 18 Cell parameters: 99.287 103.553 57.270 90.000 90.000 90.000 Input sequence file: 2gb5-2.3-parrot-mrncs.fasta_lf Building free atoms model in initial map for 4304 target number of atoms Had to go as low as 0.65 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 3 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 49.644 2.300 Wilson plot Bfac: 35.94 26715 reflections ( 99.16 % complete ) and 0 restraints for refining 4820 atoms. Observations/parameters ratio is 1.39 ------------------------------------------------------ Starting model: R = 0.3347 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2502 (Rfree = 0.000) for 4820 atoms. Found 54 (110 requested) and removed 58 (55 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.45 2.42 NCS extension: 0 residues added, 4816 seeds are put forward Round 1: 330 peptides, 52 chains. Longest chain 14 peptides. Score 0.507 Round 2: 388 peptides, 36 chains. Longest chain 39 peptides. Score 0.746 Round 3: 427 peptides, 30 chains. Longest chain 48 peptides. Score 0.825 Round 4: 446 peptides, 27 chains. Longest chain 45 peptides. Score 0.855 Round 5: 451 peptides, 23 chains. Longest chain 63 peptides. Score 0.876 Taking the results from Round 5 Chains 26, Residues 428, Estimated correctness of the model 97.6 % 12 chains (334 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 95 A and 99 A Built loop between residues 36 B and 42 B Built loop between residues 55 B and 59 B Built loop between residues 116 B and 122 B Built loop between residues 208 B and 211 B 20 chains (444 residues) following loop building 7 chains (352 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 5579 restraints for refining 4404 atoms. 2311 conditional restraints added. Observations/parameters ratio is 1.52 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2838 (Rfree = 0.000) for 4404 atoms. Found 83 (101 requested) and removed 67 (50 requested) atoms. Cycle 2: After refmac, R = 0.2618 (Rfree = 0.000) for 4386 atoms. Found 48 (99 requested) and removed 52 (50 requested) atoms. Cycle 3: After refmac, R = 0.2529 (Rfree = 0.000) for 4358 atoms. Found 35 (96 requested) and removed 50 (50 requested) atoms. Cycle 4: After refmac, R = 0.2547 (Rfree = 0.000) for 4332 atoms. Found 25 (93 requested) and removed 49 (49 requested) atoms. Cycle 5: After refmac, R = 0.2487 (Rfree = 0.000) for 4292 atoms. Found 26 (91 requested) and removed 49 (49 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.48 2.45 NCS extension: 76 residues added (111 deleted due to clashes), 4354 seeds are put forward Round 1: 465 peptides, 22 chains. Longest chain 85 peptides. Score 0.888 Round 2: 472 peptides, 16 chains. Longest chain 70 peptides. Score 0.913 Round 3: 474 peptides, 22 chains. Longest chain 96 peptides. Score 0.894 Round 4: 475 peptides, 20 chains. Longest chain 68 peptides. Score 0.901 Round 5: 472 peptides, 20 chains. Longest chain 64 peptides. Score 0.900 Taking the results from Round 2 Chains 19, Residues 456, Estimated correctness of the model 98.7 % 11 chains (411 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 A and 69 A Built loop between residues 208 A and 211 A Built loop between residues 35 B and 40 B Built loop between residues 84 B and 89 B Built loop between residues 157 B and 164 B Built loop between residues 177 B and 180 B Built loop between residues 207 B and 210 B 11 chains (483 residues) following loop building 4 chains (440 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4830 restraints for refining 4445 atoms. 961 conditional restraints added. Observations/parameters ratio is 1.50 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2446 (Rfree = 0.000) for 4445 atoms. Found 64 (92 requested) and removed 59 (51 requested) atoms. Cycle 7: After refmac, R = 0.2270 (Rfree = 0.000) for 4429 atoms. Found 41 (90 requested) and removed 51 (51 requested) atoms. Cycle 8: After refmac, R = 0.2179 (Rfree = 0.000) for 4407 atoms. Found 34 (87 requested) and removed 50 (50 requested) atoms. Cycle 9: After refmac, R = 0.2144 (Rfree = 0.000) for 4381 atoms. Found 29 (84 requested) and removed 52 (50 requested) atoms. Cycle 10: After refmac, R = 0.2121 (Rfree = 0.000) for 4354 atoms. Found 27 (82 requested) and removed 50 (50 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.47 2.44 NCS extension: 67 residues added (147 deleted due to clashes), 4408 seeds are put forward Round 1: 488 peptides, 17 chains. Longest chain 123 peptides. Score 0.917 Round 2: 493 peptides, 12 chains. Longest chain 156 peptides. Score 0.934 Round 3: 490 peptides, 19 chains. Longest chain 59 peptides. Score 0.912 Round 4: 492 peptides, 17 chains. Longest chain 123 peptides. Score 0.919 Round 5: 495 peptides, 14 chains. Longest chain 95 peptides. Score 0.929 Taking the results from Round 2 Chains 17, Residues 481, Estimated correctness of the model 99.2 % 9 chains (456 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 62 A and 66 A Built loop between residues 82 A and 86 A Built loop between residues 159 A and 167 A Built loop between residues 206 A and 210 A Built loop between residues 161 B and 168 B Built loop between residues 208 B and 212 B Built loop between residues 230 B and 233 B 6 chains (503 residues) following loop building 2 chains (483 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4554 restraints for refining 4473 atoms. 419 conditional restraints added. Observations/parameters ratio is 1.49 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2307 (Rfree = 0.000) for 4473 atoms. Found 82 (82 requested) and removed 62 (51 requested) atoms. Cycle 12: After refmac, R = 0.2115 (Rfree = 0.000) for 4482 atoms. Found 40 (80 requested) and removed 51 (51 requested) atoms. Cycle 13: After refmac, R = 0.2044 (Rfree = 0.000) for 4466 atoms. Found 39 (78 requested) and removed 51 (51 requested) atoms. Cycle 14: After refmac, R = 0.2023 (Rfree = 0.000) for 4448 atoms. Found 41 (75 requested) and removed 51 (51 requested) atoms. Cycle 15: After refmac, R = 0.1993 (Rfree = 0.000) for 4435 atoms. Found 44 (73 requested) and removed 51 (51 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.46 2.43 NCS extension: 728 residues added (402 deleted due to clashes), 5165 seeds are put forward Round 1: 489 peptides, 12 chains. Longest chain 125 peptides. Score 0.932 Round 2: 491 peptides, 13 chains. Longest chain 144 peptides. Score 0.930 Round 3: 493 peptides, 17 chains. Longest chain 64 peptides. Score 0.920 Round 4: 487 peptides, 17 chains. Longest chain 72 peptides. Score 0.917 Round 5: 488 peptides, 20 chains. Longest chain 69 peptides. Score 0.908 Taking the results from Round 1 Chains 14, Residues 477, Estimated correctness of the model 99.2 % 9 chains (455 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 61 A and 66 A Built loop between residues 158 A and 165 A Built loop between residues 208 A and 212 A Built loop between residues 34 B and 37 B Built loop between residues 160 B and 165 B Built loop between residues 207 B and 211 B Built loop between residues 227 B and 233 B 6 chains (502 residues) following loop building 2 chains (482 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4534 restraints for refining 4469 atoms. 403 conditional restraints added. Observations/parameters ratio is 1.49 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2221 (Rfree = 0.000) for 4469 atoms. Found 71 (71 requested) and removed 55 (51 requested) atoms. Cycle 17: After refmac, R = 0.2062 (Rfree = 0.000) for 4479 atoms. Found 54 (70 requested) and removed 51 (51 requested) atoms. Cycle 18: After refmac, R = 0.2001 (Rfree = 0.000) for 4480 atoms. Found 52 (68 requested) and removed 52 (51 requested) atoms. Cycle 19: After refmac, R = 0.1965 (Rfree = 0.000) for 4473 atoms. Found 44 (66 requested) and removed 53 (51 requested) atoms. Cycle 20: After refmac, R = 0.1975 (Rfree = 0.000) for 4458 atoms. Found 48 (63 requested) and removed 52 (51 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.45 2.42 NCS extension: 32 residues added (10 deleted due to clashes), 4493 seeds are put forward Round 1: 494 peptides, 12 chains. Longest chain 140 peptides. Score 0.934 Round 2: 491 peptides, 13 chains. Longest chain 123 peptides. Score 0.930 Round 3: 495 peptides, 15 chains. Longest chain 79 peptides. Score 0.926 Round 4: 498 peptides, 13 chains. Longest chain 140 peptides. Score 0.933 Round 5: 500 peptides, 14 chains. Longest chain 79 peptides. Score 0.931 Taking the results from Round 1 Chains 13, Residues 482, Estimated correctness of the model 99.2 % 8 chains (453 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 160 A and 165 A Built loop between residues 206 A and 210 A Built loop between residues 47 B and 50 B Built loop between residues 206 B and 210 B Built loop between residues 247 B and 250 B 7 chains (495 residues) following loop building 3 chains (467 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4619 restraints for refining 4428 atoms. 578 conditional restraints added. Observations/parameters ratio is 1.51 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2168 (Rfree = 0.000) for 4428 atoms. Found 61 (61 requested) and removed 60 (50 requested) atoms. Cycle 22: After refmac, R = 0.2032 (Rfree = 0.000) for 4425 atoms. Found 59 (59 requested) and removed 50 (50 requested) atoms. Cycle 23: After refmac, R = 0.1986 (Rfree = 0.000) for 4430 atoms. Found 52 (57 requested) and removed 51 (50 requested) atoms. Cycle 24: After refmac, R = 0.1948 (Rfree = 0.000) for 4429 atoms. Found 53 (55 requested) and removed 51 (50 requested) atoms. Failed to save intermediate PDB Cycle 25: After refmac, R = 0.1919 (Rfree = 0.000) for 4426 atoms. Found 53 (53 requested) and removed 51 (50 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.44 2.41 NCS extension: 166 residues added (111 deleted due to clashes), 4602 seeds are put forward Round 1: 494 peptides, 11 chains. Longest chain 140 peptides. Score 0.937 Round 2: 492 peptides, 13 chains. Longest chain 95 peptides. Score 0.931 Round 3: 489 peptides, 17 chains. Longest chain 72 peptides. Score 0.918 Round 4: 479 peptides, 19 chains. Longest chain 82 peptides. Score 0.907 Round 5: 498 peptides, 13 chains. Longest chain 127 peptides. Score 0.933 Taking the results from Round 1 Chains 11, Residues 483, Estimated correctness of the model 99.3 % 9 chains (467 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 160 A and 165 A Built loop between residues 207 A and 210 A Built loop between residues 35 B and 39 B Built loop between residues 128 B and 131 B Built loop between residues 160 B and 165 B Built loop between residues 206 B and 210 B Built loop between residues 227 B and 230 B 4 chains (503 residues) following loop building 2 chains (487 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4566 restraints for refining 4470 atoms. 407 conditional restraints added. Observations/parameters ratio is 1.49 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2154 (Rfree = 0.000) for 4470 atoms. Found 51 (51 requested) and removed 57 (51 requested) atoms. Cycle 27: After refmac, R = 0.2023 (Rfree = 0.000) for 4462 atoms. Found 51 (51 requested) and removed 51 (51 requested) atoms. Cycle 28: After refmac, R = 0.1961 (Rfree = 0.000) for 4460 atoms. Found 35 (51 requested) and removed 53 (51 requested) atoms. Cycle 29: After refmac, R = 0.1939 (Rfree = 0.000) for 4439 atoms. Found 48 (51 requested) and removed 51 (51 requested) atoms. Cycle 30: After refmac, R = 0.1937 (Rfree = 0.000) for 4434 atoms. Found 38 (51 requested) and removed 52 (51 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.45 2.42 NCS extension: 25 residues added (12 deleted due to clashes), 4449 seeds are put forward Round 1: 489 peptides, 14 chains. Longest chain 109 peptides. Score 0.927 Round 2: 493 peptides, 12 chains. Longest chain 114 peptides. Score 0.934 Round 3: 484 peptides, 18 chains. Longest chain 54 peptides. Score 0.912 Round 4: 491 peptides, 15 chains. Longest chain 82 peptides. Score 0.925 Round 5: 492 peptides, 16 chains. Longest chain 74 peptides. Score 0.922 Taking the results from Round 2 Chains 16, Residues 481, Estimated correctness of the model 99.2 % 9 chains (449 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 35 A and 39 A Built loop between residues 83 B and 89 B Built loop between residues 129 B and 134 B 12 chains (491 residues) following loop building 6 chains (461 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4785 restraints for refining 4416 atoms. 793 conditional restraints added. Observations/parameters ratio is 1.51 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2155 (Rfree = 0.000) for 4416 atoms. Found 50 (50 requested) and removed 58 (50 requested) atoms. Cycle 32: After refmac, R = 0.2053 (Rfree = 0.000) for 4402 atoms. Found 50 (50 requested) and removed 50 (50 requested) atoms. Cycle 33: After refmac, R = 0.1972 (Rfree = 0.000) for 4402 atoms. Found 50 (50 requested) and removed 50 (50 requested) atoms. Cycle 34: After refmac, R = 0.1944 (Rfree = 0.000) for 4402 atoms. Found 50 (50 requested) and removed 53 (50 requested) atoms. Cycle 35: After refmac, R = 0.1934 (Rfree = 0.000) for 4399 atoms. Found 50 (50 requested) and removed 52 (50 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.45 2.42 NCS extension: 131 residues added (147 deleted due to clashes), 4531 seeds are put forward Round 1: 490 peptides, 13 chains. Longest chain 121 peptides. Score 0.930 Round 2: 493 peptides, 12 chains. Longest chain 101 peptides. Score 0.934 Round 3: 484 peptides, 17 chains. Longest chain 122 peptides. Score 0.916 Round 4: 490 peptides, 13 chains. Longest chain 99 peptides. Score 0.930 Round 5: 476 peptides, 17 chains. Longest chain 77 peptides. Score 0.912 Taking the results from Round 2 Chains 14, Residues 481, Estimated correctness of the model 99.2 % 9 chains (453 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 87 A and 90 A Built loop between residues 160 A and 165 A Built loop between residues 206 A and 210 A Built loop between residues 230 A and 234 A Built loop between residues 47 B and 50 B Built loop between residues 201 B and 210 B 7 chains (502 residues) following loop building 3 chains (475 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4666 restraints for refining 4459 atoms. 562 conditional restraints added. Observations/parameters ratio is 1.50 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2151 (Rfree = 0.000) for 4459 atoms. Found 51 (51 requested) and removed 59 (51 requested) atoms. Cycle 37: After refmac, R = 0.2001 (Rfree = 0.000) for 4447 atoms. Found 51 (51 requested) and removed 51 (51 requested) atoms. Cycle 38: After refmac, R = 0.1930 (Rfree = 0.000) for 4444 atoms. Found 51 (51 requested) and removed 51 (51 requested) atoms. Cycle 39: After refmac, R = 0.1916 (Rfree = 0.000) for 4442 atoms. Found 51 (51 requested) and removed 51 (51 requested) atoms. Cycle 40: After refmac, R = 0.1910 (Rfree = 0.000) for 4441 atoms. Found 51 (51 requested) and removed 51 (51 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.44 2.41 NCS extension: 287 residues added (215 deleted due to clashes), 4735 seeds are put forward Round 1: 490 peptides, 14 chains. Longest chain 114 peptides. Score 0.927 Round 2: 495 peptides, 11 chains. Longest chain 96 peptides. Score 0.937 Round 3: 486 peptides, 17 chains. Longest chain 155 peptides. Score 0.916 Round 4: 487 peptides, 16 chains. Longest chain 153 peptides. Score 0.920 Round 5: 497 peptides, 11 chains. Longest chain 96 peptides. Score 0.938 Taking the results from Round 5 Chains 12, Residues 486, Estimated correctness of the model 99.3 % 10 chains (474 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 80 A and 84 A Built loop between residues 161 A and 165 A Built loop between residues 208 A and 211 A Built loop between residues 100 B and 103 B Built loop between residues 121 B and 124 B Built loop between residues 158 B and 165 B Built loop between residues 207 B and 210 B Built loop between residues 227 B and 232 B 3 chains (508 residues) following loop building 2 chains (498 residues) in sequence following loop building ------------------------------------------------------ 26715 reflections ( 99.16 % complete ) and 4548 restraints for refining 4508 atoms. 321 conditional restraints added. Observations/parameters ratio is 1.48 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2209 (Rfree = 0.000) for 4508 atoms. Found 51 (51 requested) and removed 62 (51 requested) atoms. Cycle 42: After refmac, R = 0.2024 (Rfree = 0.000) for 4493 atoms. Found 51 (51 requested) and removed 51 (51 requested) atoms. Cycle 43: After refmac, R = 0.1965 (Rfree = 0.000) for 4490 atoms. Found 51 (51 requested) and removed 53 (51 requested) atoms. Cycle 44: After refmac, R = 0.1919 (Rfree = 0.000) for 4485 atoms. Found 51 (51 requested) and removed 52 (51 requested) atoms. Cycle 45: After refmac, R = 0.1897 (Rfree = 0.000) for 4483 atoms. Found 51 (51 requested) and removed 54 (51 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.46 2.43 NCS extension: 25 residues added (3 deleted due to clashes), 4511 seeds are put forward Round 1: 486 peptides, 12 chains. Longest chain 153 peptides. Score 0.931 Round 2: 492 peptides, 14 chains. Longest chain 144 peptides. Score 0.928 Round 3: 492 peptides, 16 chains. Longest chain 96 peptides. Score 0.922 Round 4: 499 peptides, 18 chains. Longest chain 120 peptides. Score 0.919 Round 5: 500 peptides, 13 chains. Longest chain 139 peptides. Score 0.934 Taking the results from Round 5 Last building cycle: Chain fragments will be rearranged Chains 13, Residues 487, Estimated correctness of the model 99.2 % 8 chains (454 residues) have been docked in sequence Sequence coverage is 93 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 94 A and 97 A Built loop between residues 178 A and 181 A Built loop between residues 47 B and 50 B Built loop between residues 187 B and 198 B Built loop between residues 206 B and 210 B Built loop between residues 230 B and 233 B 6 chains (502 residues) following loop building 2 chains (475 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 26715 reflections ( 99.16 % complete ) and 4078 restraints for refining 3967 atoms. Observations/parameters ratio is 1.68 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2709 (Rfree = 0.000) for 3967 atoms. Found 25 (45 requested) and removed 0 (45 requested) atoms. Cycle 47: After refmac, R = 0.2551 (Rfree = 0.000) for 3967 atoms. Found 18 (45 requested) and removed 0 (45 requested) atoms. Cycle 48: After refmac, R = 0.2471 (Rfree = 0.000) for 3967 atoms. Found 8 (46 requested) and removed 2 (46 requested) atoms. Cycle 49: After refmac, R = 0.2436 (Rfree = 0.000) for 3967 atoms. TimeTaking 73.9