Sun 23 Dec 22:23:08 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2go7-2.1-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2go7-2.1-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2go7-2.1-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2go7-2.1-parrot-hancs 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/hancs/ArpWArp/wArpResults/WorkingDir/2go7-2.1-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2go7-2.1-parrot-hancs ############### 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 ============================================================ Sun 23 Dec 22:23:18 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/hancs/ArpWArp/wArpResults/WorkingDir/2go7-2.1-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2go7-2.1-parrot-hancs/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 1096 and 0 Target number of residues in the AU: 1096 Target solvent content: 0.5165 Checking the provided sequence file Detected sequence length: 207 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 4 Adjusted target number of residues: 828 Adjusted target solvent content: 0.63 Input MTZ file: 2go7-2.1-parrot-hancs.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: 169 Cell parameters: 155.000 155.000 88.440 90.000 90.000 120.000 Input sequence file: 2go7-2.1-parrot-hancs.fasta_lf Building free atoms model in initial map for 6624 target number of atoms Had to go as low as 0.95 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 1 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: 134.234 2.100 Wilson plot Bfac: 27.04 70518 reflections ( 99.93 % complete ) and 0 restraints for refining 7391 atoms. Observations/parameters ratio is 2.39 ------------------------------------------------------ Starting model: R = 0.3655 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3220 (Rfree = 0.000) for 7391 atoms. Found 193 (220 requested) and removed 114 (110 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.25 1.88 NCS extension: 0 residues added, 7470 seeds are put forward Round 1: 556 peptides, 79 chains. Longest chain 29 peptides. Score 0.504 Round 2: 643 peptides, 62 chains. Longest chain 34 peptides. Score 0.669 Round 3: 671 peptides, 50 chains. Longest chain 51 peptides. Score 0.736 Round 4: 713 peptides, 44 chains. Longest chain 55 peptides. Score 0.783 Round 5: 728 peptides, 35 chains. Longest chain 96 peptides. Score 0.817 Taking the results from Round 5 Chains 38, Residues 693, Estimated correctness of the model 96.3 % 14 chains (519 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 139 C and 142 C Built loop between residues 170 C and 175 C Built loop between residues 135 B and 139 B Built loop between residues 152 B and 155 B 34 chains (704 residues) following loop building 10 chains (530 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 9424 restraints for refining 7304 atoms. 4420 conditional restraints added. Observations/parameters ratio is 2.41 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3205 (Rfree = 0.000) for 7304 atoms. Found 217 (217 requested) and removed 124 (108 requested) atoms. Failed to save intermediate PDB Cycle 2: After refmac, R = 0.2913 (Rfree = 0.000) for 7360 atoms. Found 216 (216 requested) and removed 110 (110 requested) atoms. Cycle 3: After refmac, R = 0.2708 (Rfree = 0.000) for 7428 atoms. Found 162 (213 requested) and removed 61 (111 requested) atoms. Cycle 4: After refmac, R = 0.2562 (Rfree = 0.000) for 7500 atoms. Found 141 (215 requested) and removed 52 (112 requested) atoms. Cycle 5: After refmac, R = 0.2470 (Rfree = 0.000) for 7561 atoms. Found 118 (217 requested) and removed 43 (113 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.16 1.81 NCS extension: 78 residues added (85 deleted due to clashes), 7722 seeds are put forward Round 1: 740 peptides, 29 chains. Longest chain 102 peptides. Score 0.839 Round 2: 761 peptides, 23 chains. Longest chain 121 peptides. Score 0.863 Round 3: 766 peptides, 22 chains. Longest chain 102 peptides. Score 0.868 Round 4: 764 peptides, 22 chains. Longest chain 107 peptides. Score 0.867 Round 5: 766 peptides, 24 chains. Longest chain 110 peptides. Score 0.863 Taking the results from Round 3 Chains 25, Residues 744, Estimated correctness of the model 98.0 % 13 chains (625 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 37 C and 41 C Built loop between residues 115 C and 118 C Built loop between residues 29 B and 40 B Built loop between residues 138 B and 143 B Built loop between residues 117 D and 120 D Built loop between residues 140 D and 145 D 17 chains (761 residues) following loop building 7 chains (650 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 8450 restraints for refining 7522 atoms. 2679 conditional restraints added. Observations/parameters ratio is 2.34 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2570 (Rfree = 0.000) for 7522 atoms. Found 215 (215 requested) and removed 124 (112 requested) atoms. Cycle 7: After refmac, R = 0.2356 (Rfree = 0.000) for 7601 atoms. Found 154 (212 requested) and removed 83 (113 requested) atoms. Failed to save intermediate PDB Cycle 8: After refmac, R = 0.2206 (Rfree = 0.000) for 7655 atoms. Found 122 (210 requested) and removed 63 (114 requested) atoms. Cycle 9: After refmac, R = 0.2106 (Rfree = 0.000) for 7702 atoms. Found 108 (206 requested) and removed 39 (114 requested) atoms. Cycle 10: After refmac, R = 0.2045 (Rfree = 0.000) for 7754 atoms. Found 97 (208 requested) and removed 34 (115 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.14 1.79 NCS extension: 39 residues added (40 deleted due to clashes), 7861 seeds are put forward Round 1: 778 peptides, 20 chains. Longest chain 122 peptides. Score 0.877 Round 2: 783 peptides, 16 chains. Longest chain 137 peptides. Score 0.887 Round 3: 787 peptides, 14 chains. Longest chain 137 peptides. Score 0.893 Round 4: 779 peptides, 14 chains. Longest chain 136 peptides. Score 0.890 Round 5: 781 peptides, 19 chains. Longest chain 123 peptides. Score 0.880 Taking the results from Round 3 Chains 15, Residues 773, Estimated correctness of the model 98.6 % 11 chains (757 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 47 A and 50 A Built loop between residues 140 A and 143 A Built loop between residues 17 C and 20 C Built loop between residues 117 C and 120 C Built loop between residues 139 C and 142 C Built loop between residues 140 B and 143 B Built loop between residues 138 D and 143 D 7 chains (787 residues) following loop building 4 chains (773 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 70518 reflections ( 99.93 % complete ) and 7570 restraints for refining 7669 atoms. 1176 conditional restraints added. Observations/parameters ratio is 2.30 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2192 (Rfree = 0.000) for 7669 atoms. Found 205 (205 requested) and removed 121 (114 requested) atoms. Cycle 12: After refmac, R = 0.2060 (Rfree = 0.000) for 7741 atoms. Found 147 (203 requested) and removed 76 (115 requested) atoms. Cycle 13: After refmac, R = 0.1978 (Rfree = 0.000) for 7800 atoms. Found 131 (200 requested) and removed 75 (116 requested) atoms. Cycle 14: After refmac, R = 0.1929 (Rfree = 0.000) for 7839 atoms. Found 139 (197 requested) and removed 67 (117 requested) atoms. Cycle 15: After refmac, R = 0.1889 (Rfree = 0.000) for 7897 atoms. Found 117 (197 requested) and removed 71 (117 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.14 1.79 NCS extension: 7 residues added (21 deleted due to clashes), 7954 seeds are put forward Round 1: 786 peptides, 13 chains. Longest chain 92 peptides. Score 0.894 Round 2: 791 peptides, 13 chains. Longest chain 137 peptides. Score 0.896 Round 3: 787 peptides, 16 chains. Longest chain 73 peptides. Score 0.888 Round 4: 790 peptides, 14 chains. Longest chain 137 peptides. Score 0.894 Round 5: 787 peptides, 17 chains. Longest chain 201 peptides. Score 0.886 Taking the results from Round 2 Chains 15, Residues 778, Estimated correctness of the model 98.7 % 11 chains (764 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 88 A and 91 A Built loop between residues 136 A and 139 A Built loop between residues 48 C and 51 C Built loop between residues 139 C and 143 C Built loop between residues 98 B and 101 B Built loop between residues 167 B and 170 B Built loop between residues 138 D and 143 D 6 chains (792 residues) following loop building 4 chains (781 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 7465 restraints for refining 7625 atoms. 1029 conditional restraints added. Observations/parameters ratio is 2.31 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2049 (Rfree = 0.000) for 7625 atoms. Found 186 (186 requested) and removed 116 (113 requested) atoms. Cycle 17: After refmac, R = 0.1951 (Rfree = 0.000) for 7686 atoms. Found 168 (183 requested) and removed 54 (114 requested) atoms. Cycle 18: After refmac, R = 0.1892 (Rfree = 0.000) for 7794 atoms. Found 125 (186 requested) and removed 64 (116 requested) atoms. Cycle 19: After refmac, R = 0.1842 (Rfree = 0.000) for 7842 atoms. Found 114 (183 requested) and removed 53 (117 requested) atoms. Cycle 20: After refmac, R = 0.1808 (Rfree = 0.000) for 7893 atoms. Found 122 (183 requested) and removed 46 (117 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.14 1.79 NCS extension: 0 residues added (15 deleted due to clashes), 7971 seeds are put forward Round 1: 794 peptides, 10 chains. Longest chain 137 peptides. Score 0.903 Round 2: 793 peptides, 12 chains. Longest chain 94 peptides. Score 0.899 Round 3: 794 peptides, 13 chains. Longest chain 135 peptides. Score 0.897 Round 4: 791 peptides, 15 chains. Longest chain 136 peptides. Score 0.892 Round 5: 789 peptides, 15 chains. Longest chain 201 peptides. Score 0.891 Taking the results from Round 1 Chains 14, Residues 784, Estimated correctness of the model 98.8 % 10 chains (777 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 138 A and 143 A Built loop between residues 48 C and 51 C Built loop between residues 68 C and 71 C Built loop between residues 139 C and 143 C Built loop between residues 138 B and 143 B Built loop between residues 138 D and 143 D 5 chains (797 residues) following loop building 5 chains (797 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 7352 restraints for refining 7657 atoms. 832 conditional restraints added. Observations/parameters ratio is 2.30 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2000 (Rfree = 0.000) for 7657 atoms. Found 178 (178 requested) and removed 102 (114 requested) atoms. Failed to save intermediate PDB Cycle 22: After refmac, R = 0.1886 (Rfree = 0.000) for 7714 atoms. Found 146 (175 requested) and removed 58 (115 requested) atoms. Cycle 23: After refmac, R = 0.1817 (Rfree = 0.000) for 7796 atoms. Found 144 (176 requested) and removed 62 (116 requested) atoms. Cycle 24: After refmac, R = 0.1796 (Rfree = 0.000) for 7873 atoms. Found 125 (178 requested) and removed 79 (117 requested) atoms. Cycle 25: After refmac, R = 0.1744 (Rfree = 0.000) for 7908 atoms. Found 133 (175 requested) and removed 74 (118 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.13 1.78 NCS extension: 0 residues added, 7970 seeds are put forward Round 1: 793 peptides, 11 chains. Longest chain 137 peptides. Score 0.901 Round 2: 796 peptides, 10 chains. Longest chain 137 peptides. Score 0.904 Round 3: 794 peptides, 13 chains. Longest chain 137 peptides. Score 0.897 Round 4: 788 peptides, 16 chains. Longest chain 201 peptides. Score 0.889 Round 5: 784 peptides, 10 chains. Longest chain 201 peptides. Score 0.900 Taking the results from Round 2 Chains 12, Residues 786, Estimated correctness of the model 98.9 % 10 chains (782 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 86 A and 89 A Built loop between residues 17 C and 20 C Built loop between residues 97 C and 100 C Built loop between residues 139 C and 142 C Built loop between residues 138 B and 143 B Built loop between residues 138 D and 143 D 4 chains (798 residues) following loop building 4 chains (798 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 7334 restraints for refining 7638 atoms. 794 conditional restraints added. Observations/parameters ratio is 2.31 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1954 (Rfree = 0.000) for 7638 atoms. Found 163 (163 requested) and removed 99 (113 requested) atoms. Cycle 27: After refmac, R = 0.1851 (Rfree = 0.000) for 7696 atoms. Found 160 (160 requested) and removed 50 (114 requested) atoms. Cycle 28: After refmac, R = 0.1796 (Rfree = 0.000) for 7798 atoms. Found 139 (162 requested) and removed 69 (116 requested) atoms. Cycle 29: After refmac, R = 0.1754 (Rfree = 0.000) for 7860 atoms. Found 139 (164 requested) and removed 75 (117 requested) atoms. Cycle 30: After refmac, R = 0.1729 (Rfree = 0.000) for 7920 atoms. Found 132 (160 requested) and removed 93 (118 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.14 1.79 NCS extension: 0 residues added, 7962 seeds are put forward Round 1: 795 peptides, 10 chains. Longest chain 136 peptides. Score 0.903 Round 2: 797 peptides, 9 chains. Longest chain 137 peptides. Score 0.906 Round 3: 790 peptides, 17 chains. Longest chain 99 peptides. Score 0.887 Round 4: 788 peptides, 17 chains. Longest chain 137 peptides. Score 0.887 Round 5: 782 peptides, 14 chains. Longest chain 136 peptides. Score 0.891 Taking the results from Round 2 Chains 13, Residues 788, Estimated correctness of the model 98.9 % 10 chains (783 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 138 A and 143 A Built loop between residues 68 C and 71 C Built loop between residues 139 C and 143 C Built loop between residues 96 B and 99 B Built loop between residues 138 D and 143 D 5 chains (798 residues) following loop building 5 chains (798 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 7314 restraints for refining 7649 atoms. 774 conditional restraints added. Observations/parameters ratio is 2.30 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1945 (Rfree = 0.000) for 7649 atoms. Found 150 (150 requested) and removed 91 (114 requested) atoms. Cycle 32: After refmac, R = 0.1836 (Rfree = 0.000) for 7695 atoms. Found 147 (147 requested) and removed 49 (114 requested) atoms. Cycle 33: After refmac, R = 0.1771 (Rfree = 0.000) for 7787 atoms. Found 136 (148 requested) and removed 71 (116 requested) atoms. Cycle 34: After refmac, R = 0.1740 (Rfree = 0.000) for 7849 atoms. Found 113 (145 requested) and removed 84 (117 requested) atoms. Cycle 35: After refmac, R = 0.1706 (Rfree = 0.000) for 7874 atoms. Found 140 (140 requested) and removed 95 (117 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.13 1.78 NCS extension: 18 residues added (49 deleted due to clashes), 7941 seeds are put forward Round 1: 797 peptides, 11 chains. Longest chain 136 peptides. Score 0.902 Round 2: 797 peptides, 11 chains. Longest chain 136 peptides. Score 0.902 Round 3: 796 peptides, 14 chains. Longest chain 137 peptides. Score 0.896 Round 4: 796 peptides, 12 chains. Longest chain 137 peptides. Score 0.900 Round 5: 779 peptides, 16 chains. Longest chain 137 peptides. Score 0.886 Taking the results from Round 2 Chains 12, Residues 786, Estimated correctness of the model 98.8 % 11 chains (783 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 139 A and 142 A Built loop between residues 46 C and 49 C Built loop between residues 137 C and 143 C Built loop between residues 17 B and 20 B Built loop between residues 97 B and 100 B Built loop between residues 138 B and 142 B Built loop between residues 139 D and 142 D 4 chains (801 residues) following loop building 4 chains (801 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 7296 restraints for refining 7644 atoms. 727 conditional restraints added. Observations/parameters ratio is 2.31 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1943 (Rfree = 0.000) for 7644 atoms. Found 132 (132 requested) and removed 97 (113 requested) atoms. Cycle 37: After refmac, R = 0.1830 (Rfree = 0.000) for 7673 atoms. Found 128 (128 requested) and removed 43 (114 requested) atoms. Cycle 38: After refmac, R = 0.1753 (Rfree = 0.000) for 7753 atoms. Found 129 (129 requested) and removed 50 (115 requested) atoms. Cycle 39: After refmac, R = 0.1715 (Rfree = 0.000) for 7828 atoms. Found 130 (130 requested) and removed 70 (116 requested) atoms. Cycle 40: After refmac, R = 0.1700 (Rfree = 0.000) for 7883 atoms. Found 127 (127 requested) and removed 102 (117 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.13 1.78 NCS extension: 0 residues added, 7910 seeds are put forward Round 1: 798 peptides, 10 chains. Longest chain 136 peptides. Score 0.904 Round 2: 800 peptides, 9 chains. Longest chain 137 peptides. Score 0.907 Round 3: 791 peptides, 14 chains. Longest chain 136 peptides. Score 0.894 Round 4: 792 peptides, 12 chains. Longest chain 136 peptides. Score 0.898 Round 5: 787 peptides, 16 chains. Longest chain 136 peptides. Score 0.888 Taking the results from Round 2 Chains 10, Residues 791, Estimated correctness of the model 98.9 % 9 chains (789 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 138 A and 143 A Built loop between residues 97 C and 100 C Built loop between residues 139 C and 142 C Built loop between residues 139 B and 142 B Built loop between residues 139 D and 142 D 4 chains (801 residues) following loop building 4 chains (801 residues) in sequence following loop building ------------------------------------------------------ 70518 reflections ( 99.93 % complete ) and 7278 restraints for refining 7633 atoms. 709 conditional restraints added. Observations/parameters ratio is 2.31 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1927 (Rfree = 0.000) for 7633 atoms. Found 118 (118 requested) and removed 99 (113 requested) atoms. Cycle 42: After refmac, R = 0.1806 (Rfree = 0.000) for 7647 atoms. Found 114 (114 requested) and removed 35 (114 requested) atoms. Cycle 43: After refmac, R = 0.1745 (Rfree = 0.000) for 7724 atoms. Found 115 (115 requested) and removed 66 (115 requested) atoms. Cycle 44: After refmac, R = 0.1718 (Rfree = 0.000) for 7770 atoms. Found 115 (115 requested) and removed 81 (115 requested) atoms. Cycle 45: After refmac, R = 0.1697 (Rfree = 0.000) for 7800 atoms. Found 116 (116 requested) and removed 87 (116 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.14 1.79 NCS extension: 0 residues added, 7832 seeds are put forward Round 1: 796 peptides, 11 chains. Longest chain 136 peptides. Score 0.902 Round 2: 799 peptides, 10 chains. Longest chain 136 peptides. Score 0.905 Round 3: 797 peptides, 12 chains. Longest chain 114 peptides. Score 0.900 Round 4: 793 peptides, 12 chains. Longest chain 136 peptides. Score 0.899 Round 5: 790 peptides, 15 chains. Longest chain 136 peptides. Score 0.892 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 12, Residues 789, Estimated correctness of the model 98.9 % 10 chains (783 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 139 A and 142 A Built loop between residues 166 C and 169 C Built loop between residues 97 B and 100 B Built loop between residues 139 D and 142 D 8 chains (797 residues) following loop building 6 chains (791 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 70518 reflections ( 99.93 % complete ) and 6510 restraints for refining 6393 atoms. Observations/parameters ratio is 2.76 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2521 (Rfree = 0.000) for 6393 atoms. Found 95 (95 requested) and removed 0 (95 requested) atoms. Cycle 47: After refmac, R = 0.2335 (Rfree = 0.000) for 6393 atoms. Found 85 (96 requested) and removed 1 (96 requested) atoms. Cycle 48: After refmac, R = 0.2209 (Rfree = 0.000) for 6393 atoms. Found 58 (97 requested) and removed 5 (97 requested) atoms. Cycle 49: After refmac, R = 0.2127 (Rfree = 0.000) for 6393 atoms. TimeTaking 117.43