X2JEA7_DROME Loading...

Rab11 interacting protein, isoform C

AlphaFold DB , UniProt , Accession X2JEA7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Rip11, Length 420 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58Low87.6Confident200 Ų20045.5 Ų45.599%0.98524%0.239SC*.  0138.20-156.2168.4-142.400107Y99M1-Y99 HydrophobicContact CE-CE2 4.04Å; M1-Y99 WeakPolarHBondContact CG-OH 3.39Å
2W70.9Confident88.5Confident103 Ų10345.6 Ų45.639%0.3924%0.237SC..  trans-84.4143.317569.5-86.6000109.7P4 V98 Y99 F131 V133W2-P4 HydrophobicContact CE3-CB 4.35Å; W2-P4 HydrophobicContact CH2-CB 4.48Å; W2-P4 HydrophobicContact CZ3-CB 3.71Å; W2-V98 HydrophobicContact CE3-CG1 4.43Å; W2-V98 HydrophobicContact CH2-CG1 3.49Å; W2-V98 VanDerWaalsContact CH2-CG1 3.49Å; W2-V98 HydrophobicContact CZ2-CG1 3.5Å; W2-V98 VanDerWaalsContact CZ2-CG1 3.5Å; W2-V98 HydrophobicContact CZ3-CG1 3.98Å; W2-Y99 AromaticContact CD1-CE1 3.78Å; W2-Y99 AromaticContact NE1-CD1 3.98Å; W2-Y99 AromaticContact NE1-CE1 3.26Å; W2-Y99 VanDerWaalsContact NE1-CE1 3.26Å; W2-Y99 AromaticContact NE1-CZ 3.8Å; W2-F131 HydrophobicContact CH2-CB 4.06Å; W2-V133 HydrophobicContact CD2-CG2 4.22Å; W2-V133 HydrophobicContact CE3-CG2 3.21Å; W2-V133 HydrophobicContact CZ3-CG2 3.48Å; W2-V133 VanDerWaalsContact CZ3-CG2 3.48Å
3S79.9Confident89.2Confident92 Ų9249.9 Ų49.964%0.64325%0.249SC*.  trans-105.3129.6173.7-59.80000108.7
4P88.3Confident89.9Confident31 Ų3146.4 Ų46.420%0.20123%0.232CC..  trans-69.6143.8175.831.8-35.9000110.2W2 I61 V98 F131W2-P4 HydrophobicContact CE3-CB 4.35Å; W2-P4 HydrophobicContact CH2-CB 4.48Å; W2-P4 HydrophobicContact CZ3-CB 3.71Å; P4-I61 HydrophobicContact CB-CD1 3.78Å; P4-I61 HydrophobicContact CG-CD1 3.86Å; P4-V98 HydrophobicContact CB-CG1 4.46Å; P4-V98 HydrophobicContact CG-CG1 4.22Å; P4-V98 HydrophobicContact CG-CG2 4.15Å; P4-F131 HydrophobicContact CB-CB 3.82Å; P4-F131 HydrophobicContact CB-CD1 3.79Å; P4-F131 HydrophobicContact CB-CG 4.17Å; P4-F131 HydrophobicContact CG-CB 4.5Å; P4-F131 HydrophobicContact CG-CD1 3.87Å; P4-F131 HydrophobicContact CG-CE1 4.49Å; P4-F131 HydrophobicContact CG-CG 4.4Å
5T89.9Confident90.4Very high19 Ų1950.9 Ų50.912%0.11725%0.245CC..  trans-111.2-21.7-177.573.40000112.2I61 V132 V133 K134 S137T5-I61 PolarHBondContact O-N 3.36Å; T5-V132 PolarHBondContact N-O 3.26Å; T5-V133 HydrophobicContact CG2-CG1 4.17Å; T5-K134 PolarHBondContact OG1-N 3.41Å; T5-K134 VanDerWaalsContact OG1-N 3.11Å; T5-S137 WeakPolarHBondContact CG2-OG 3.43Å
6H92.3Very high90.8Very high35 Ų3550.5 Ų50.516%0.16226%0.258CS..EExtended strand (participates in β ladder)trans-140.3160174.1-58.864.9000111E58 L59 V132H6-E58 HydrophobicContact CB-CG 3.97Å; H6-E58 WeakPolarHBondContact CB-OE1 3.47Å; H6-E58 IonicContact CD2-OE1 3.43Å; H6-E58 PolarHBondContact CD2-OE1 2.97Å; H6-E58 IonicContact CG-OE1 2.6Å; H6-E58 VanDerWaalsContact CG-OE1 3.25Å; H6-L59 CarbonylContact C-O 3.02Å; H6-L59 VanDerWaalsContact CA-O 3.24Å; H6-L59 WeakPolarHBondContact CA-O 3.35Å; H6-L59 WeakPolarHBondContact CB-O 3.5Å; H6-V132 HydrophobicContact CB-CG2 3.77Å; H6-V132 PolarHBondContact N-O 3.19Å; H6-V132 PolarHBondContact O-N 3.15Å
7C93.3Very high91.1Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-119114.6177.6-173.40000109.1L34 E58 L59 I61 I129C7-L34 HydrophobicContact CB-CD2 4.02Å; C7-E58 WeakPolarHBondContact O-CA 3.48Å; C7-L59 PolarHBondContact N-O 2.91Å; C7-L59 PolarHBondContact O-N 3.26Å; C7-I61 HydrophobicContact CB-CD1 4.48Å; C7-I61 HydrophobicContact CB-CG1 4.27Å; C7-I129 VanDerWaalsContact SG-CG2 3.57Å
8S95.9Very high91.2Very high10 Ų1047.5 Ų47.57%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-83.7129.4170.1110.10000109C57 I129 A130S8-C57 CarbonylContact C-O 3.5Å; S8-C57 WeakPolarHBondContact CA-O 3.45Å; S8-I129 WeakPolarHBondContact O-CA 3.46Å; S8-A130 PolarHBondContact N-O 3.21Å; S8-A130 PolarHBondContact O-N 3.1Å; S8-A130 VanDerWaalsContact OG-CB 3.24Å; S8-A130 WeakPolarHBondContact OG-CB 3.3Å
9V97.8Very high91.3Very high0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-130109.6-174.8-175.70000109.2V11 I32 E56 C57 L59 L70 L72 V127V9-V11 HydrophobicContact CG1-CG2 4.43Å; V9-I32 HydrophobicContact CB-CG2 4.29Å; V9-I32 HydrophobicContact CG1-CD1 4.41Å; V9-I32 HydrophobicContact CG1-CG2 4.01Å; V9-E56 WeakPolarHBondContact O-CA 3.33Å; V9-C57 PolarHBondContact N-O 3.4Å; V9-C57 PolarHBondContact O-N 3.11Å; V9-L59 HydrophobicContact CB-CD1 4.47Å; V9-L59 HydrophobicContact CG2-CD1 3.95Å; V9-L70 HydrophobicContact CG1-CD2 4.16Å; V9-L70 HydrophobicContact CG2-CD1 3.99Å; V9-L70 HydrophobicContact CG2-CD2 3.75Å; V9-L72 HydrophobicContact CG1-CD2 4.22Å; V9-V127 HydrophobicContact CG1-CG1 3.64Å
10T98.4Very high91.4Very high10 Ų1049.5 Ų49.56%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-98.3108.5173.7-34.20000109.8Q12 E55 E56 V127 R128T10-Q12 HydrophobicContact CG2-CG 4.22Å; T10-Q12 PolarHBondContact O-N 2.89Å; T10-E55 CarbonylContact C-O 3.55Å; T10-E55 WeakPolarHBondContact CA-O 3.4Å; T10-E56 HydrophobicContact CG2-CB 4.14Å; T10-E56 VanDerWaalsContact OG1-CD 3.27Å; T10-E56 PolarHBondContact OG1-OE2 3.02Å; T10-V127 CarbonylContact O-C 3.55Å; T10-V127 VanDerWaalsContact O-CA 3.32Å; T10-V127 WeakPolarHBondContact O-CA 3.42Å; T10-V127 WeakPolarHBondContact O-CG1 3.26Å; T10-R128 PolarHBondContact N-O 3.49Å; T10-R128 PolarHBondContact O-N 2.93Å; T10-R128 PolarHBondContact OG1-NE 2.92Å; T10-R128 PolarHBondContact OG1-NH1 3.37Å; T10-R128 PolarHBondContact OG1-NH2 3.17Å; T10-R128 VanDerWaalsContact OG1-NH2 3.15Å
11V98.6Very high91.2Very high0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-86.1108.8171.7173.40000108.6V9 V30 I32 T41 W53 N54 E55 L72 L125 V127V9-V11 HydrophobicContact CG1-CG2 4.43Å; V11-V30 HydrophobicContact CG1-CB 4.39Å; V11-V30 HydrophobicContact CG1-CG2 4.04Å; V11-V30 HydrophobicContact CG2-CG1 4.47Å; V11-I32 HydrophobicContact CB-CD1 4.39Å; V11-I32 HydrophobicContact CG2-CD1 3.48Å; V11-I32 VanDerWaalsContact CG2-CD1 3.48Å; V11-I32 HydrophobicContact CG2-CG1 3.97Å; V11-T41 HydrophobicContact CB-CG2 4.39Å; V11-T41 HydrophobicContact CG1-CG2 4.43Å; V11-W53 HydrophobicContact CG1-CD2 4.46Å; V11-W53 HydrophobicContact CG1-CE3 3.92Å; V11-N54 WeakPolarHBondContact O-CA 3.33Å; V11-N54 PolarHBondContact O-N 3.1Å; V11-E55 PolarHBondContact N-O 2.93Å; V11-E55 PolarHBondContact O-N 2.83Å; V11-L72 HydrophobicContact CG2-CD2 4.27Å; V11-L125 HydrophobicContact CG1-CD1 4.01Å; V11-L125 HydrophobicContact CG1-CD2 4.43Å; V11-L125 HydrophobicContact CG1-CG 4.46Å; V11-V127 HydrophobicContact CG2-CG1 4.4Å; V11-V127 HydrophobicContact CG2-CG2 4.2Å
12Q98.4Very high92.5Very high47 Ų4746.6 Ų46.622%0.2224%0.237CC..EExtended strand (participates in β ladder)trans-87.1-63-174.1-60.1-169.78.200111.1T10 W53 N54 E126T10-Q12 HydrophobicContact CG2-CG 4.22Å; T10-Q12 PolarHBondContact O-N 2.89Å; Q12-W53 PolarHBondContact O-N 3.3Å; Q12-N54 PolarHBondContact O-N 3.13Å; Q12-N54 PolarHBondContact O-OD1 3.05Å; Q12-E126 PolarHBondContact N-O 3.02Å
13R98.4Very high93.3Very high102 Ų10249.4 Ų49.439%0.38526%0.26SS..EExtended strand (participates in β ladder)trans-158.1162.2-175.356.4174.4170.5-172.9-8.5113V51 N52 W106 E126R13-V51 CarbonylContact C-O 3.51Å; R13-V51 WeakPolarHBondContact CA-O 3.45Å; R13-V51 WeakPolarHBondContact CB-O 3.45Å; R13-N52 HydrophobicContact CB-CB 4.47Å; R13-W106 HydrophobicContact CG-CH2 3.88Å; R13-W106 HydrophobicContact CG-CZ2 4.34Å; R13-E126 HydrophobicContact CG-CB 4.04Å; R13-E126 IonicContact CZ-OE2 3.38Å; R13-E126 IonicContact NE-OE2 2.67Å; R13-E126 PolarHBondContact NE-OE2 3.43Å; R13-E126 IonicContact NH2-OE1 2.6Å; R13-E126 PolarHBondContact NH2-OE1 2.77Å; R13-E126 IonicContact NH2-OE2 3.16Å; R13-E126 PolarHBondContact NH2-OE2 2.89Å; R13-E126 PolarHBondContact O-N 3.04Å
14A98.4Very high93.8Very high1 Ų147.3 Ų47.31%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-116158.6166.700000111.2L17 S50 V51 W53 E124 L125A14-L17 HydrophobicContact CB-CD1 3.74Å; A14-L17 HydrophobicContact CB-CD2 3.77Å; A14-L17 HydrophobicContact CB-CG 3.69Å; A14-S50 VanDerWaalsContact O-CA 3.3Å; A14-S50 WeakPolarHBondContact O-CA 3.41Å; A14-V51 PolarHBondContact N-O 2.64Å; A14-V51 PolarHBondContact O-N 3.43Å; A14-W53 HydrophobicContact CB-CH2 4.14Å; A14-W53 HydrophobicContact CB-CZ3 3.81Å; A14-E124 CarbonylContact C-O 3.6Å; A14-E124 WeakPolarHBondContact CA-O 3.23Å; A14-L125 HydrophobicContact CB-CD1 3.84Å
15R97.8Very high94.1Very high113 Ų11347.5 Ų47.543%0.42625%0.253SS..EExtended strand (participates in β ladder)trans-140.7152.4171.972.5-174.4177.4-178.6-1.1111.1L17 T49 W106 G123 E124R15-L17 PolarHBondContact O-N 2.96Å; R15-T49 CarbonylContact C-O 3.6Å; R15-T49 VanDerWaalsContact C-O 3.29Å; R15-T49 WeakPolarHBondContact CA-O 3.38Å; R15-W106 HydrophobicContact CB-CH2 4.06Å; R15-W106 HydrophobicContact CB-CZ3 4.07Å; R15-W106 HydrophobicContact CG-CE3 4.15Å; R15-W106 HydrophobicContact CG-CH2 3.78Å; R15-W106 HydrophobicContact CG-CZ3 3.49Å; R15-W106 VanDerWaalsContact CG-CZ3 3.49Å; R15-G123 CarbonylContact O-C 3.53Å; R15-G123 WeakPolarHBondContact O-CA 3.47Å; R15-E124 HydrophobicContact CG-CB 4.3Å; R15-E124 IonicContact CZ-OE2 3.14Å; R15-E124 PolarHBondContact N-O 2.91Å; R15-E124 IonicContact NE-OE2 2.67Å; R15-E124 PolarHBondContact NE-OE2 2.81Å; R15-E124 IonicContact NH2-OE2 2.75Å; R15-E124 PolarHBondContact NH2-OE2 2.92Å; R15-E124 PolarHBondContact O-N 3.18Å
16G96.6Very high94.3Very high45 Ų4546.6 Ų46.646%0.46425%0.248SC..SBendtrans63.122.2178.200000114.8T49 R122 G123G16-T49 PolarHBondContact N-O 3.31Å; G16-R122 CarbonylContact O-C 3.53Å; G16-G123 VanDerWaalsContact C-CA 3.44Å; G16-G123 WeakPolarHBondContact O-CA 3.36Å; G16-G123 PolarHBondContact O-N 3.48Å; G16-G123 VanDerWaalsContact O-N 3.11Å
17L96.6Very high94.5Very high4 Ų446.2 Ų46.22%0.02125%0.247CC..PPolyproline II helixtrans-58.6141.3-177.7-71.7-173000112.1A14 R15 T19 C28 T49 V51 L86 L109 R122A14-L17 HydrophobicContact CB-CD1 3.74Å; A14-L17 HydrophobicContact CB-CD2 3.77Å; A14-L17 HydrophobicContact CB-CG 3.69Å; R15-L17 PolarHBondContact O-N 2.96Å; L17-T19 PolarHBondContact O-N 2.89Å; L17-C28 WeakPolarHBondContact CD1-SG 3.36Å; L17-T49 PolarHBondContact N-O 3.34Å; L17-V51 HydrophobicContact CD1-CG2 3.69Å; L17-L86 HydrophobicContact CD1-CD1 4.26Å; L17-L109 HydrophobicContact CD2-CD1 3.43Å; L17-L109 VanDerWaalsContact CD2-CD1 3.43Å; L17-R122 WeakPolarHBondContact CA-O 3.49Å; L17-R122 WeakPolarHBondContact CD2-O 3.45Å
18L93.1Very high94.7Very high43 Ų4346.2 Ų46.223%0.22525%0.247CC..PPolyproline II helixtrans-61.3119.7171179.364.6000110.4K20 N26 L86 R122L18-K20 HydrophobicContact CD2-CD 4.06Å; L18-K20 HydrophobicContact CG-CD 4.17Å; L18-K20 HydrophobicContact CG-CG 4.39Å; L18-N26 PolarHBondContact O-ND2 3.47Å; L18-L86 WeakPolarHBondContact O-CD2 3.24Å; L18-R122 HydrophobicContact CB-CG 4.48Å; L18-R122 HydrophobicContact CD2-CG 4.48Å
19T93Very high94.8Very high55 Ų5545.8 Ų45.834%0.33724%0.244SC..PPolyproline II helixtrans-71.5134.1172.6-57.30000111.2L17 G24L17-T19 PolarHBondContact O-N 2.89Å; T19-G24 WeakPolarHBondContact CG2-O 3.46Å
20K92.1Very high94.8Very high80 Ų8045.8 Ų45.835%0.34824%0.244SC..  trans-133.5-36.2178.3-68.8-60.3-82.881.40113.6L18 N26 E84 L86L18-K20 HydrophobicContact CD2-CD 4.06Å; L18-K20 HydrophobicContact CG-CD 4.17Å; L18-K20 HydrophobicContact CG-CG 4.39Å; K20-N26 PolarHBondContact N-OD1 3.16Å; K20-E84 HydrophobicContact CB-CB 4.39Å; K20-E84 WeakPolarHBondContact CB-OE2 3.48Å; K20-E84 WeakPolarHBondContact CE-OE1 3.23Å; K20-E84 IonicContact NZ-OE1 2.83Å; K20-E84 PolarHBondContact NZ-OE1 3.14Å; K20-E84 IonicContact NZ-OE2 2.83Å; K20-E84 PolarHBondContact NZ-OE2 3.05Å; K20-L86 HydrophobicContact CB-CD2 3.85Å; K20-L86 HydrophobicContact CG-CD2 3.43Å; K20-L86 VanDerWaalsContact CG-CD2 3.43Å
21G88.5Confident94.8Very high13 Ų1345.7 Ų45.713%0.13424%0.243CC..SBendtrans-73172.1-179.300000114.2T25 N26 H76G21-T25 CarbonylContact C-O 3.55Å; G21-T25 WeakPolarHBondContact CA-O 3.49Å; G21-T25 PolarHBondContact N-O 3.47Å; G21-N26 PolarHBondContact N-OD1 3.31Å; G21-N26 VanDerWaalsContact N-OD1 3.1Å; G21-H76 WeakPolarHBondContact CA-NE2 3.33Å; G21-H76 PolarHBondContact N-CD2 3.3Å
22K85.2Confident94.8Very high175 Ų17545.7 Ų45.776%0.76124%0.243SC*.G310 helixtrans-66.8157.2-177.6-62.6-178.3-178.1179.90111.2G24 T25K22-G24 PolarHBondContact O-N 2.79Å; K22-G24 VanDerWaalsContact O-N 3.16Å; K22-T25 PolarHBondContact O-N 3.26Å; K22-T25 PolarHBondContact O-OG1 3.2Å; K22-T25 VanDerWaalsContact O-OG1 3.11Å
23N86.6Confident94.8Very high162 Ų16244.5 Ų44.587%0.86624%0.241SC*.G310 helixtrans58.423.9177.7-51.70.9000114.5
24G89.8Confident94.6Very high48 Ų4839.7 Ų39.750%0.49522%0.223SC..G310 helixtrans819.8179.200000115.2T19 K22T19-G24 WeakPolarHBondContact CG2-O 3.46Å; K22-G24 PolarHBondContact O-N 2.79Å; K22-G24 VanDerWaalsContact O-N 3.16Å
25T94.7Very high94.2Very high36 Ų3642.6 Ų42.622%0.22125%0.253CS..  trans-122.4156.3-173.3650000112.9G21 K22 A47G21-T25 CarbonylContact C-O 3.55Å; G21-T25 WeakPolarHBondContact CA-O 3.49Å; G21-T25 PolarHBondContact N-O 3.47Å; K22-T25 PolarHBondContact O-N 3.26Å; K22-T25 PolarHBondContact O-OG1 3.2Å; K22-T25 VanDerWaalsContact O-OG1 3.11Å; T25-A47 CarbonylContact C-O 3.53Å; T25-A47 WeakPolarHBondContact CA-O 3.38Å; T25-A47 WeakPolarHBondContact CB-O 3.22Å
26N95.6Very high93.8Very high0 Ų047.5 Ų47.50%028%0.278CS..EExtended strand (participates in β ladder)trans-118.5128.5175.9-72.8-31.2000110.2L18 K20 G21 C28 A47 H76 L86L18-N26 PolarHBondContact O-ND2 3.47Å; K20-N26 PolarHBondContact N-OD1 3.16Å; G21-N26 PolarHBondContact N-OD1 3.31Å; G21-N26 VanDerWaalsContact N-OD1 3.1Å; N26-C28 HydrophobicContact CB-CB 4.17Å; N26-C28 PolarHBondContact O-N 3.31Å; N26-A47 PolarHBondContact N-O 3.24Å; N26-A47 WeakPolarHBondContact O-CB 3.39Å; N26-A47 PolarHBondContact O-N 3.28Å; N26-H76 HydrophobicContact CB-CB 4.44Å; N26-L86 HydrophobicContact CB-CD1 4.41Å
27N95.8Very high93.6Very high27 Ų2749.4 Ų49.414%0.14427%0.274CS..EExtended strand (participates in β ladder)trans-75.290.2159.5-57.4-23.2000107.8V43 K44 D45 K46 H76 R77N27-V43 HydrophobicContact CB-CG1 3.99Å; N27-K44 CarbonylContact C-O 3.52Å; N27-K44 WeakPolarHBondContact CA-O 3.27Å; N27-D45 WeakPolarHBondContact OD1-CA 3.38Å; N27-K46 PolarHBondContact OD1-N 2.93Å; N27-H76 PolarHBondContact N-CE1 2.97Å; N27-H76 PolarHBondContact N-ND1 3.28Å; N27-H76 CarbonylContact O-C 3.18Å; N27-H76 WeakPolarHBondContact O-CA 3.48Å; N27-H76 PolarHBondContact O-ND1 2.91Å; N27-R77 HydrophobicContact CB-CB 3.98Å; N27-R77 PolarHBondContact ND2-O 2.76Å; N27-R77 PolarHBondContact O-N 2.6Å
28C97.3Very high93.6Very high0 Ų055.9 Ų55.90%030%0.302CS..EExtended strand (participates in β ladder)trans-100.2139.9-160.2-164.30000113.5L17 N26 K44 V51 W53 L75 L86L17-C28 WeakPolarHBondContact CD1-SG 3.36Å; N26-C28 HydrophobicContact CB-CB 4.17Å; N26-C28 PolarHBondContact O-N 3.31Å; C28-K44 PolarHBondContact N-O 3.14Å; C28-K44 PolarHBondContact O-N 2.79Å; C28-V51 HydrophobicContact CB-CG1 4.31Å; C28-V51 HydrophobicContact CB-CG2 4.13Å; C28-W53 HydrophobicContact CB-CZ2 4.06Å; C28-L75 WeakPolarHBondContact CA-O 3.45Å; C28-L86 VanDerWaalsContact SG-CD1 3.6Å
29F98.1Very high93.9Very high1 Ų158.3 Ų58.30%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-147.8168.7170.869.9-85.4000111.8Q40 V43 L75 R77 D83F29-Q40 VanDerWaalsContact CD2-CD 3.5Å; F29-Q40 HydrophobicContact CD2-CG 3.34Å; F29-Q40 HydrophobicContact CE2-CG 3.66Å; F29-Q40 HydrophobicContact CG-CG 4.36Å; F29-V43 HydrophobicContact CB-CG2 4.12Å; F29-V43 HydrophobicContact CD1-CG2 4.14Å; F29-V43 HydrophobicContact CG-CG2 4.32Å; F29-L75 HydrophobicContact CD1-CB 4.09Å; F29-L75 HydrophobicContact CD2-CB 4.27Å; F29-L75 HydrophobicContact CD2-CD1 4.4Å; F29-L75 HydrophobicContact CE1-CB 3.57Å; F29-L75 HydrophobicContact CE2-CB 3.81Å; F29-L75 HydrophobicContact CE2-CD1 3.5Å; F29-L75 VanDerWaalsContact CE2-CD1 3.5Å; F29-L75 HydrophobicContact CE2-CG 4.28Å; F29-L75 HydrophobicContact CG-CB 4.42Å; F29-L75 HydrophobicContact CZ-CB 3.43Å; F29-L75 VanDerWaalsContact CZ-CB 3.43Å; F29-L75 HydrophobicContact CZ-CD1 3.61Å; F29-L75 HydrophobicContact CZ-CG 4.12Å; F29-L75 PolarHBondContact N-O 3.48Å; F29-L75 PolarHBondContact O-N 3.03Å; F29-R77 HydrophobicContact CD1-CB 4.12Å; F29-R77 HydrophobicContact CE1-CB 4.01Å; F29-R77 VanDerWaalsContact CE1-CZ 3.42Å; F29-R77 VanDerWaalsContact CZ-NH2 3.33Å; F29-D83 HydrophobicContact CE1-CB 4.41Å; F29-D83 HydrophobicContact CZ-CB 4.25Å; F29-D83 WeakPolarHBondContact CZ-OD2 3.35Å
30V98.6Very high94.1Very high0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-119.7128.9176.8-174.40000110.3V11 I32 Q40 T41 W53 T73 L125V11-V30 HydrophobicContact CG1-CB 4.39Å; V11-V30 HydrophobicContact CG1-CG2 4.04Å; V11-V30 HydrophobicContact CG2-CG1 4.47Å; V30-I32 HydrophobicContact CG1-CG1 4.18Å; V30-Q40 WeakPolarHBondContact O-CA 3.31Å; V30-T41 HydrophobicContact CB-CG2 3.98Å; V30-T41 PolarHBondContact N-OG1 3.22Å; V30-T41 PolarHBondContact O-N 2.94Å; V30-W53 HydrophobicContact CG2-CD2 4.49Å; V30-W53 HydrophobicContact CG2-CE3 4.31Å; V30-W53 HydrophobicContact CG2-CH2 3.82Å; V30-W53 HydrophobicContact CG2-CZ2 4.02Å; V30-W53 HydrophobicContact CG2-CZ3 3.97Å; V30-T73 WeakPolarHBondContact CA-O 3.35Å; V30-L125 HydrophobicContact CG1-CD2 4.19Å; V30-L125 HydrophobicContact CG2-CD1 4.14Å
31T98.3Very high94.4Very high8 Ų855.6 Ų55.65%0.04929%0.294CS..EExtended strand (participates in β ladder)trans-82.3129.3159.9-79.30000108.5A33 K38 L72 T73T31-A33 HydrophobicContact CG2-CB 4.42Å; T31-K38 HydrophobicContact CG2-CD 3.72Å; T31-K38 VanDerWaalsContact CG2-CE 3.5Å; T31-K38 HydrophobicContact CG2-CG 4.1Å; T31-K38 WeakPolarHBondContact OG1-CE 3.16Å; T31-K38 PolarHBondContact OG1-NZ 2.89Å; T31-L72 WeakPolarHBondContact O-CA 3.34Å; T31-T73 PolarHBondContact N-O 3.4Å; T31-T73 PolarHBondContact O-N 3.26Å
32I98.5Very high94.9Very high0 Ų057.3 Ų57.30%030%0.304CS..EExtended strand (participates in β ladder)trans-115.2122.4173.2-52.1171.5000106.4V9 V11 V30 K38 Y39 T41 C57 L59 L70 L72V9-I32 HydrophobicContact CB-CG2 4.29Å; V9-I32 HydrophobicContact CG1-CD1 4.41Å; V9-I32 HydrophobicContact CG1-CG2 4.01Å; V11-I32 HydrophobicContact CB-CD1 4.39Å; V11-I32 HydrophobicContact CG2-CD1 3.48Å; V11-I32 VanDerWaalsContact CG2-CD1 3.48Å; V11-I32 HydrophobicContact CG2-CG1 3.97Å; V30-I32 HydrophobicContact CG1-CG1 4.18Å; I32-K38 CarbonylContact O-C 3.59Å; I32-K38 WeakPolarHBondContact O-CA 3.38Å; I32-Y39 HydrophobicContact CD1-CD1 4.07Å; I32-Y39 PolarHBondContact N-O 3.25Å; I32-Y39 PolarHBondContact O-N 2.78Å; I32-T41 HydrophobicContact CD1-CG2 4.46Å; I32-C57 VanDerWaalsContact CD1-SG 3.58Å; I32-L59 HydrophobicContact CG2-CD1 3.98Å; I32-L70 HydrophobicContact CG2-CD1 3.89Å; I32-L72 HydrophobicContact CB-CD2 4.29Å; I32-L72 HydrophobicContact CG1-CD2 3.96Å; I32-L72 HydrophobicContact CG2-CD2 3.92Å
33A97.2Very high95.5Very high21 Ų2151.1 Ų51.117%0.17428%0.281CS..EExtended strand (participates in β ladder)trans-137.6139.9-176.400000112.5T31 E37 K38 T71T31-A33 HydrophobicContact CG2-CB 4.42Å; A33-E37 CarbonylContact C-O 3.53Å; A33-E37 VanDerWaalsContact CA-O 3.31Å; A33-E37 WeakPolarHBondContact CA-O 3.21Å; A33-K38 HydrophobicContact CB-CB 4.31Å; A33-T71 PolarHBondContact N-O 2.98Å; A33-T71 PolarHBondContact O-N 3.23Å
34L94.7Very high96Very high1 Ų146.6 Ų46.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-140.1109.3176.3-177.561.2000109.2C7 K36 E37 L59 I61 A68 E69 L70 L93C7-L34 HydrophobicContact CB-CD2 4.02Å; L34-K36 PolarHBondContact O-N 3.04Å; L34-E37 PolarHBondContact N-O 3.07Å; L34-E37 PolarHBondContact O-N 2.91Å; L34-L59 HydrophobicContact CB-CB 3.95Å; L34-L59 HydrophobicContact CB-CD2 3.87Å; L34-L59 HydrophobicContact CB-CG 4.41Å; L34-L59 HydrophobicContact CD2-CB 3.98Å; L34-I61 HydrophobicContact CD2-CG1 4.18Å; L34-A68 HydrophobicContact CD1-CB 4.12Å; L34-E69 WeakPolarHBondContact CD1-O 3.35Å; L34-L70 HydrophobicContact CB-CD1 4.46Å; L34-L93 HydrophobicContact CD1-CD1 3.7Å; L34-L93 HydrophobicContact CD1-CG 4.28Å; L34-L93 HydrophobicContact CD2-CD1 4.06Å
35G90.1Very high96.2Very high62 Ų6249.6 Ų49.664%0.63926%0.258SS*.THydrogen-bonded Turntrans59.8-107.2-175.700000112.5
36K88.6Confident96.2Very high217 Ų21755.7 Ų55.794%0.94328%0.282SS*.THydrogen-bonded Turntrans-97.2-15.2178.3-64.1-176.3-178.5178.90113.7L34L34-K36 PolarHBondContact O-N 3.04Å
37E93.9Very high96.1Very high84 Ų8456.4 Ų56.439%0.39329%0.288SS..EExtended strand (participates in β ladder)trans-89.2139.1-177.3-67.9-176.7-172.200110.6A33 L34 L59 K60A33-E37 CarbonylContact C-O 3.53Å; A33-E37 VanDerWaalsContact CA-O 3.31Å; A33-E37 WeakPolarHBondContact CA-O 3.21Å; L34-E37 PolarHBondContact N-O 3.07Å; L34-E37 PolarHBondContact O-N 2.91Å; E37-L59 HydrophobicContact CB-CB 4.42Å; E37-L59 HydrophobicContact CB-CD2 4.07Å; E37-L59 VanDerWaalsContact OE2-CA 3.25Å; E37-L59 WeakPolarHBondContact OE2-CA 3.31Å; E37-K60 VanDerWaalsContact OE1-CB 3.31Å; E37-K60 WeakPolarHBondContact OE1-CB 3.44Å; E37-K60 PolarHBondContact OE2-N 3.47Å
38K96.6Very high96Very high140 Ų14062 Ų6261%0.60931%0.313SS*.EExtended strand (participates in β ladder)trans-140.9129178.7170168.4162.9161.30110.7T31 I32 A33T31-K38 HydrophobicContact CG2-CD 3.72Å; T31-K38 VanDerWaalsContact CG2-CE 3.5Å; T31-K38 HydrophobicContact CG2-CG 4.1Å; T31-K38 WeakPolarHBondContact OG1-CE 3.16Å; T31-K38 PolarHBondContact OG1-NZ 2.89Å; I32-K38 CarbonylContact O-C 3.59Å; I32-K38 WeakPolarHBondContact O-CA 3.38Å; A33-K38 HydrophobicContact CB-CB 4.31Å
39Y98.2Very high95.8Very high94 Ų9465 Ų6537%0.36933%0.331SS..EExtended strand (participates in β ladder)trans-109.4161.6168.4-171.8-94.5000110I32 C57I32-Y39 HydrophobicContact CD1-CD1 4.07Å; I32-Y39 PolarHBondContact N-O 3.25Å; I32-Y39 PolarHBondContact O-N 2.78Å; Y39-C57 HydrophobicContact CD1-CB 3.69Å; Y39-C57 HydrophobicContact CD2-CB 3.62Å; Y39-C57 HydrophobicContact CE1-CB 4.03Å; Y39-C57 HydrophobicContact CE2-CB 3.95Å; Y39-C57 HydrophobicContact CG-CB 3.47Å; Y39-C57 VanDerWaalsContact CG-CB 3.47Å
40Q98.1Very high95.7Very high76 Ų7668 Ų6836%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-138.5132172.5-166.4-151.8-91.600109.1F29 V30F29-Q40 VanDerWaalsContact CD2-CD 3.5Å; F29-Q40 HydrophobicContact CD2-CG 3.34Å; F29-Q40 HydrophobicContact CE2-CG 3.66Å; F29-Q40 HydrophobicContact CG-CG 4.36Å; V30-Q40 WeakPolarHBondContact O-CA 3.31Å
41T98.6Very high95.6Very high2 Ų268.2 Ų68.21%0.01235%0.354CS..PPolyproline II helixtrans-66.6168.8172.868.10000111.8V11 V30 I32 W53 E55V11-T41 HydrophobicContact CB-CG2 4.39Å; V11-T41 HydrophobicContact CG1-CG2 4.43Å; V30-T41 HydrophobicContact CB-CG2 3.98Å; V30-T41 PolarHBondContact N-OG1 3.22Å; V30-T41 PolarHBondContact O-N 2.94Å; I32-T41 HydrophobicContact CD1-CG2 4.46Å; T41-W53 HydrophobicContact CG2-CG 4.32Å; T41-W53 PolarHBondContact OG1-NE1 3.39Å; T41-E55 WeakPolarHBondContact CA-OE2 3.32Å; T41-E55 VanDerWaalsContact CB-OE2 3.31Å; T41-E55 WeakPolarHBondContact CB-OE2 3.41Å; T41-E55 HydrophobicContact CG2-CB 4.39Å
42S98.1Very high95.6Very high49 Ų4972 Ų7234%0.34337%0.374SS..PPolyproline II helixtrans-55.7152.6161.973.30000111.6K44 W53 E55S42-K44 WeakPolarHBondContact OG-CE 3.43Å; S42-W53 VanDerWaalsContact O-CD1 3.32Å; S42-W53 PolarHBondContact O-NE1 2.9Å; S42-E55 WeakPolarHBondContact CB-OE1 3.29Å; S42-E55 PolarHBondContact N-OE1 3.17Å; S42-E55 PolarHBondContact N-OE2 2.9Å; S42-E55 PolarHBondContact OG-OE1 3.27Å
43V97.5Very high95.6Very high46 Ų4672.6 Ų72.628%0.27938%0.376SS..PPolyproline II helixtrans-86.4132.1172.3-174.60000108.4N27 F29 R77N27-V43 HydrophobicContact CB-CG1 3.99Å; F29-V43 HydrophobicContact CB-CG2 4.12Å; F29-V43 HydrophobicContact CD1-CG2 4.14Å; F29-V43 HydrophobicContact CG-CG2 4.32Å; V43-R77 HydrophobicContact CG1-CB 3.96Å; V43-R77 HydrophobicContact CG1-CG 4.45Å
44K97.4Very high95.6Very high67 Ų6776.5 Ų76.529%0.29139%0.394SS..EExtended strand (participates in β ladder)trans-105.896175.9-59.5-75165.5151.30107.4N27 C28 S42 A47 V51 N52 W53N27-K44 CarbonylContact C-O 3.52Å; N27-K44 WeakPolarHBondContact CA-O 3.27Å; C28-K44 PolarHBondContact N-O 3.14Å; C28-K44 PolarHBondContact O-N 2.79Å; S42-K44 WeakPolarHBondContact OG-CE 3.43Å; K44-A47 HydrophobicContact CB-CB 4.38Å; K44-V51 HydrophobicContact CB-CG1 3.59Å; K44-V51 HydrophobicContact CG-CG1 3.71Å; K44-N52 WeakPolarHBondContact CD-O 3.45Å; K44-N52 WeakPolarHBondContact CE-O 3.38Å; K44-N52 PolarHBondContact NZ-O 3.14Å; K44-W53 HydrophobicContact CG-CG 4.49Å
45D95.4Very high95.8Very high111 Ų11178.1 Ų78.159%0.59440%0.402SS*.EExtended strand (participates in β ladder)trans-66.7146.1-176.3-65-45.8000112.3N27 A47N27-D45 WeakPolarHBondContact OD1-CA 3.38Å; D45-A47 PolarHBondContact O-N 2.77Å; D45-A47 VanDerWaalsContact O-N 3.08Å
46K93.8Very high96.2Very high163 Ų16379.6 Ų79.671%0.70939%0.392SS*.EExtended strand (participates in β ladder)trans52.526.2178.5-53.6178.7-177.2175.60115N27N27-K46 PolarHBondContact OD1-N 2.93Å
47A92.9Very high96.6Very high16 Ų1669.9 Ų69.913%0.13235%0.351CS..EExtended strand (participates in β ladder)trans-69.7149.7179.300000111.5T25 N26 K44 D45 V51T25-A47 CarbonylContact C-O 3.53Å; T25-A47 WeakPolarHBondContact CA-O 3.38Å; T25-A47 WeakPolarHBondContact CB-O 3.22Å; N26-A47 PolarHBondContact N-O 3.24Å; N26-A47 WeakPolarHBondContact O-CB 3.39Å; N26-A47 PolarHBondContact O-N 3.28Å; K44-A47 HydrophobicContact CB-CB 4.38Å; D45-A47 PolarHBondContact O-N 2.77Å; D45-A47 VanDerWaalsContact O-N 3.08Å; A47-V51 HydrophobicContact CB-CB 4.46Å; A47-V51 HydrophobicContact CB-CG1 4.01Å; A47-V51 HydrophobicContact CB-CG2 3.81Å
48E93.2Very high96.7Very high143 Ų14369.4 Ų69.467%0.66835%0.349SS*.  trans-85.5-145.7178.5-59.9-177.8178.800110.6S50E48-S50 PolarHBondContact O-N 2.97Å
49T93.4Very high96.6Very high64 Ų6462.9 Ų62.939%0.39332%0.321SS..SBendtrans-72.2-12.3174.8630000113.3R15 G16 L17R15-T49 CarbonylContact C-O 3.6Å; R15-T49 VanDerWaalsContact C-O 3.29Å; R15-T49 WeakPolarHBondContact CA-O 3.38Å; G16-T49 PolarHBondContact N-O 3.31Å; L17-T49 PolarHBondContact N-O 3.34Å
50S96Very high96.3Very high64 Ų6461.4 Ų61.445%0.44832%0.316SS..  trans-127.8138.8-178.7-56.30000111.1A14 E48A14-S50 VanDerWaalsContact O-CA 3.3Å; A14-S50 WeakPolarHBondContact O-CA 3.41Å; E48-S50 PolarHBondContact O-N 2.97Å
51V97.5Very high96Very high5 Ų559 Ų593%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-147.9138.6-166.2-163.60000110.5R13 A14 L17 C28 K44 A47 W53R13-V51 CarbonylContact C-O 3.51Å; R13-V51 WeakPolarHBondContact CA-O 3.45Å; R13-V51 WeakPolarHBondContact CB-O 3.45Å; A14-V51 PolarHBondContact N-O 2.64Å; A14-V51 PolarHBondContact O-N 3.43Å; L17-V51 HydrophobicContact CD1-CG2 3.69Å; C28-V51 HydrophobicContact CB-CG1 4.31Å; C28-V51 HydrophobicContact CB-CG2 4.13Å; K44-V51 HydrophobicContact CB-CG1 3.59Å; K44-V51 HydrophobicContact CG-CG1 3.71Å; A47-V51 HydrophobicContact CB-CB 4.46Å; A47-V51 HydrophobicContact CB-CG1 4.01Å; A47-V51 HydrophobicContact CB-CG2 3.81Å; V51-W53 HydrophobicContact CB-CH2 3.63Å; V51-W53 HydrophobicContact CB-CZ2 4.03Å; V51-W53 HydrophobicContact CB-CZ3 3.92Å; V51-W53 HydrophobicContact CG1-CD2 4.34Å; V51-W53 HydrophobicContact CG1-CE3 4.45Å; V51-W53 HydrophobicContact CG1-CH2 3.67Å; V51-W53 HydrophobicContact CG1-CZ2 3.51Å; V51-W53 HydrophobicContact CG1-CZ3 4.15Å; V51-W53 HydrophobicContact CG2-CH2 4.21Å
52N97.9Very high95.5Very high86 Ų8660.8 Ų60.846%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-120.7127.1178.6-70.576.2000112.2R13 K44R13-N52 HydrophobicContact CB-CB 4.47Å; K44-N52 WeakPolarHBondContact CD-O 3.45Å; K44-N52 WeakPolarHBondContact CE-O 3.38Å; K44-N52 PolarHBondContact NZ-O 3.14Å
53W98.3Very high94.5Very high13 Ų1364.4 Ų64.45%0.04933%0.332CS..EExtended strand (participates in β ladder)trans-108.5-57.6173.8-64.7-85000111.1V11 Q12 A14 C28 V30 T41 S42 K44 V51 E55 L125V11-W53 HydrophobicContact CG1-CD2 4.46Å; V11-W53 HydrophobicContact CG1-CE3 3.92Å; Q12-W53 PolarHBondContact O-N 3.3Å; A14-W53 HydrophobicContact CB-CH2 4.14Å; A14-W53 HydrophobicContact CB-CZ3 3.81Å; C28-W53 HydrophobicContact CB-CZ2 4.06Å; V30-W53 HydrophobicContact CG2-CD2 4.49Å; V30-W53 HydrophobicContact CG2-CE3 4.31Å; V30-W53 HydrophobicContact CG2-CH2 3.82Å; V30-W53 HydrophobicContact CG2-CZ2 4.02Å; V30-W53 HydrophobicContact CG2-CZ3 3.97Å; T41-W53 HydrophobicContact CG2-CG 4.32Å; T41-W53 PolarHBondContact OG1-NE1 3.39Å; S42-W53 VanDerWaalsContact O-CD1 3.32Å; S42-W53 PolarHBondContact O-NE1 2.9Å; K44-W53 HydrophobicContact CG-CG 4.49Å; V51-W53 HydrophobicContact CB-CH2 3.63Å; V51-W53 HydrophobicContact CB-CZ2 4.03Å; V51-W53 HydrophobicContact CB-CZ3 3.92Å; V51-W53 HydrophobicContact CG1-CD2 4.34Å; V51-W53 HydrophobicContact CG1-CE3 4.45Å; V51-W53 HydrophobicContact CG1-CH2 3.67Å; V51-W53 HydrophobicContact CG1-CZ2 3.51Å; V51-W53 HydrophobicContact CG1-CZ3 4.15Å; V51-W53 HydrophobicContact CG2-CH2 4.21Å; W53-E55 VanDerWaalsContact C-N 3.28Å; W53-E55 HydrophobicContact CB-CB 4.35Å; W53-E55 HydrophobicContact CB-CG 4.16Å; W53-L125 HydrophobicContact CZ3-CD1 3.96Å
54N97.9Very high92.8Very high104 Ų10471.5 Ų71.556%0.55636%0.362SS*.EExtended strand (participates in β ladder)trans57.140.1-169.9-55.8-40.8000112.7V11 Q12V11-N54 WeakPolarHBondContact O-CA 3.33Å; V11-N54 PolarHBondContact O-N 3.1Å; Q12-N54 PolarHBondContact O-N 3.13Å; Q12-N54 PolarHBondContact O-OD1 3.05Å
55E98.6Very high90.9Very high35 Ų3570 Ų7016%0.16437%0.367CS..EExtended strand (participates in β ladder)trans-104.3139.7-176.1-71.3169-127.100110.5T10 V11 T41 S42 W53T10-E55 CarbonylContact C-O 3.55Å; T10-E55 WeakPolarHBondContact CA-O 3.4Å; V11-E55 PolarHBondContact N-O 2.93Å; V11-E55 PolarHBondContact O-N 2.83Å; T41-E55 WeakPolarHBondContact CA-OE2 3.32Å; T41-E55 VanDerWaalsContact CB-OE2 3.31Å; T41-E55 WeakPolarHBondContact CB-OE2 3.41Å; T41-E55 HydrophobicContact CG2-CB 4.39Å; S42-E55 WeakPolarHBondContact CB-OE1 3.29Å; S42-E55 PolarHBondContact N-OE1 3.17Å; S42-E55 PolarHBondContact N-OE2 2.9Å; S42-E55 PolarHBondContact OG-OE1 3.27Å; W53-E55 VanDerWaalsContact C-N 3.28Å; W53-E55 HydrophobicContact CB-CB 4.35Å; W53-E55 HydrophobicContact CB-CG 4.16Å
56E98.1Very high89Confident93 Ų9370.8 Ų70.844%0.43537%0.37SS..EExtended strand (participates in β ladder)trans-121135.2-178.6-168.5160.4149.100110.7V9 T10 R128V9-E56 WeakPolarHBondContact O-CA 3.33Å; T10-E56 HydrophobicContact CG2-CB 4.14Å; T10-E56 VanDerWaalsContact OG1-CD 3.27Å; T10-E56 PolarHBondContact OG1-OE2 3.02Å; E56-R128 IonicContact OE1-NH2 2.67Å; E56-R128 PolarHBondContact OE1-NH2 3.19Å; E56-R128 IonicContact OE2-CZ 2.71Å; E56-R128 IonicContact OE2-NH1 3.25Å; E56-R128 PolarHBondContact OE2-NH1 2.9Å; E56-R128 IonicContact OE2-NH2 2.66Å; E56-R128 PolarHBondContact OE2-NH2 3.47Å
57C97.3Very high87.8Confident12 Ų1273.3 Ų73.38%0.08138%0.376CS..EExtended strand (participates in β ladder)trans-131.5167.7168.667.50000110.1S8 V9 I32 Y39S8-C57 CarbonylContact C-O 3.5Å; S8-C57 WeakPolarHBondContact CA-O 3.45Å; V9-C57 PolarHBondContact N-O 3.4Å; V9-C57 PolarHBondContact O-N 3.11Å; I32-C57 VanDerWaalsContact CD1-SG 3.58Å; Y39-C57 HydrophobicContact CD1-CB 3.69Å; Y39-C57 HydrophobicContact CD2-CB 3.62Å; Y39-C57 HydrophobicContact CE1-CB 4.03Å; Y39-C57 HydrophobicContact CE2-CB 3.95Å; Y39-C57 HydrophobicContact CG-CB 3.47Å; Y39-C57 VanDerWaalsContact CG-CB 3.47Å
58E96.4Very high87.6Confident74 Ų7473.3 Ų73.335%0.34638%0.376SS..EExtended strand (participates in β ladder)trans-133.7128.7178.3-161.1-161.5136.800108.5H6 C7 V132 K134H6-E58 HydrophobicContact CB-CG 3.97Å; H6-E58 WeakPolarHBondContact CB-OE1 3.47Å; H6-E58 IonicContact CD2-OE1 3.43Å; H6-E58 PolarHBondContact CD2-OE1 2.97Å; H6-E58 IonicContact CG-OE1 2.6Å; H6-E58 VanDerWaalsContact CG-OE1 3.25Å; C7-E58 WeakPolarHBondContact O-CA 3.48Å; E58-V132 HydrophobicContact CG-CG2 4.49Å; E58-K134 WeakPolarHBondContact OE1-CD 3.48Å; E58-K134 WeakPolarHBondContact OE1-CE 3.3Å; E58-K134 IonicContact OE1-NZ 2.71Å; E58-K134 PolarHBondContact OE1-NZ 2.89Å; E58-K134 WeakPolarHBondContact OE2-CE 3.45Å; E58-K134 IonicContact OE2-NZ 2.68Å; E58-K134 PolarHBondContact OE2-NZ 3.43Å
59L94.3Very high87.6Confident4 Ų471.3 Ų71.32%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-120.5139.2-176.2-50.796.4000110.2H6 C7 V9 I32 L34 E37H6-L59 CarbonylContact C-O 3.02Å; H6-L59 VanDerWaalsContact CA-O 3.24Å; H6-L59 WeakPolarHBondContact CA-O 3.35Å; H6-L59 WeakPolarHBondContact CB-O 3.5Å; C7-L59 PolarHBondContact N-O 2.91Å; C7-L59 PolarHBondContact O-N 3.26Å; V9-L59 HydrophobicContact CB-CD1 4.47Å; V9-L59 HydrophobicContact CG2-CD1 3.95Å; I32-L59 HydrophobicContact CG2-CD1 3.98Å; L34-L59 HydrophobicContact CB-CB 3.95Å; L34-L59 HydrophobicContact CB-CD2 3.87Å; L34-L59 HydrophobicContact CB-CG 4.41Å; L34-L59 HydrophobicContact CD2-CB 3.98Å; E37-L59 HydrophobicContact CB-CB 4.42Å; E37-L59 HydrophobicContact CB-CD2 4.07Å; E37-L59 VanDerWaalsContact OE2-CA 3.25Å; E37-L59 WeakPolarHBondContact OE2-CA 3.31Å
60K92.2Very high87.7Confident63 Ų6368.3 Ų68.327%0.27435%0.348SS..EExtended strand (participates in β ladder)trans-66.3133.6174.6-164.5-155.7168.5-1710109.9E37 D63E37-K60 VanDerWaalsContact OE1-CB 3.31Å; E37-K60 WeakPolarHBondContact OE1-CB 3.44Å; E37-K60 PolarHBondContact OE2-N 3.47Å; K60-D63 IonicContact NZ-OD1 2.76Å; K60-D63 PolarHBondContact NZ-OD1 2.94Å; K60-D63 IonicContact NZ-OD2 2.83Å; K60-D63 PolarHBondContact NZ-OD2 3.37Å
61I91.2Very high87.7Confident26 Ų2666.9 Ų66.913%0.13334%0.336CS..PPolyproline II helixtrans-73.4127.7171.4-65.6169.8000108.4P4 T5 C7 L34 L93 F131P4-I61 HydrophobicContact CB-CD1 3.78Å; P4-I61 HydrophobicContact CG-CD1 3.86Å; T5-I61 PolarHBondContact O-N 3.36Å; C7-I61 HydrophobicContact CB-CD1 4.48Å; C7-I61 HydrophobicContact CB-CG1 4.27Å; L34-I61 HydrophobicContact CD2-CG1 4.18Å; I61-L93 HydrophobicContact CD1-CD1 4.41Å; I61-L93 HydrophobicContact CG1-CD1 4.09Å; I61-F131 HydrophobicContact CD1-CD1 3.97Å; I61-F131 HydrophobicContact CD1-CE1 4.17Å
62P89Confident87.8Confident38 Ų3866.6 Ų66.625%0.24734%0.335CS..PPolyproline II helixtrans-62.2135.9179.6-25.234.8000113.1Q64 G65 A68P62-Q64 PolarHBondContact O-N 3.48Å; P62-G65 PolarHBondContact O-N 2.91Å; P62-A68 HydrophobicContact CG-CB 4.36Å
63D76.9Confident87.8Confident125 Ų12563.3 Ų63.367%0.66832%0.318SS*.THydrogen-bonded Turntrans-65.6-12.5-173.4-47.5-89000114.1K60 G65K60-D63 IonicContact NZ-OD1 2.76Å; K60-D63 PolarHBondContact NZ-OD1 2.94Å; K60-D63 IonicContact NZ-OD2 2.83Å; K60-D63 PolarHBondContact NZ-OD2 3.37Å; D63-G65 VanDerWaalsContact C-N 3.27Å; D63-G65 PolarHBondContact O-N 3.3Å
64Q61.7Low87.8Confident195 Ų19562.7 Ų62.791%0.91132%0.316SS*.THydrogen-bonded Turntrans-76.4-6.5178.3-72.3-173.5-47.300114.6P62P62-Q64 PolarHBondContact O-N 3.48Å
65G56.7Low87.7Confident37 Ų3758.8 Ų58.838%0.38130%0.295SS..  trans74.4163165.600000116.7P62 D63 R67P62-G65 PolarHBondContact O-N 2.91Å; D63-G65 VanDerWaalsContact C-N 3.27Å; D63-G65 PolarHBondContact O-N 3.3Å; G65-R67 PolarHBondContact O-N 2.94Å
66N55.8Low87.6Confident126 Ų12657.8 Ų57.867%0.67429%0.29SS*.SBendtrans30.8-0.2168.985.9-12.1000123.7N94N66-N94 WeakPolarHBondContact O-CB 3.49Å
67R68.7Low87.5Confident216 Ų21656.7 Ų56.782%0.81528%0.282SS*.  trans-126.816.2174.4-63.6-176.5178.7-173.5-1.3112.4G65 E69G65-R67 PolarHBondContact O-N 2.94Å; R67-E69 PolarHBondContact O-N 2.68Å
68A88.4Confident87.2Confident16 Ų1658.5 Ų58.513%0.13229%0.29CS..  trans-73.4125.417500000109.4L34 P62 L93L34-A68 HydrophobicContact CD1-CB 4.12Å; P62-A68 HydrophobicContact CG-CB 4.36Å; A68-L93 HydrophobicContact CB-CD1 4.14Å; A68-L93 WeakPolarHBondContact O-CB 3.37Å; A68-L93 WeakPolarHBondContact O-CG 3.1Å; A68-L93 PolarHBondContact O-N 3.28Å
69E92.6Very high86.4Confident102 Ų10261.8 Ų61.848%0.47731%0.31SS..EExtended strand (participates in β ladder)trans-107.9130.9178.4-66.9174177.100110.1L34 R67 T90 P92L34-E69 WeakPolarHBondContact CD1-O 3.35Å; R67-E69 PolarHBondContact O-N 2.68Å; E69-T90 HydrophobicContact CB-CG2 3.92Å; E69-T90 HydrophobicContact CG-CG2 4.14Å; E69-T90 VanDerWaalsContact OE2-CG2 3.23Å; E69-T90 WeakPolarHBondContact OE2-CG2 3.06Å; E69-P92 HydrophobicContact CG-CG 4.49Å
70L95.4Very high85.7Confident0 Ų068.6 Ų68.60%035%0.346CS..EExtended strand (participates in β ladder)trans-83.4113.1167.6177.566.8000108.7V9 I32 L34 L72 L91 L93 I129V9-L70 HydrophobicContact CG1-CD2 4.16Å; V9-L70 HydrophobicContact CG2-CD1 3.99Å; V9-L70 HydrophobicContact CG2-CD2 3.75Å; I32-L70 HydrophobicContact CG2-CD1 3.89Å; L34-L70 HydrophobicContact CB-CD1 4.46Å; L70-L72 HydrophobicContact CD2-CD1 4.48Å; L70-L72 HydrophobicContact CG-CG 4.33Å; L70-L91 HydrophobicContact CB-CB 4.42Å; L70-L91 PolarHBondContact N-O 2.92Å; L70-L91 PolarHBondContact O-N 3.11Å; L70-L93 HydrophobicContact CB-CD2 4.11Å; L70-I129 HydrophobicContact CD2-CD1 3.72Å; L70-I129 HydrophobicContact CD2-CG1 4.2Å
71T97.4Very high84.9Confident34 Ų3468.6 Ų68.621%0.20936%0.364CS..EExtended strand (participates in β ladder)trans-98.3126.6177-68.80000110.7A33 T73 Q88A33-T71 PolarHBondContact N-O 2.98Å; A33-T71 PolarHBondContact O-N 3.23Å; T71-T73 WeakPolarHBondContact CG2-OG1 3.32Å; T71-Q88 HydrophobicContact CG2-CG 4.25Å
72L98.3Very high84.9Confident0 Ų074 Ų740%039%0.392CS..EExtended strand (participates in β ladder)trans-121.1106.1-180-63.9164.8000108.8V9 V11 T31 I32 L70 Q88 A89 L91 L125 V127V9-L72 HydrophobicContact CG1-CD2 4.22Å; V11-L72 HydrophobicContact CG2-CD2 4.27Å; T31-L72 WeakPolarHBondContact O-CA 3.34Å; I32-L72 HydrophobicContact CB-CD2 4.29Å; I32-L72 HydrophobicContact CG1-CD2 3.96Å; I32-L72 HydrophobicContact CG2-CD2 3.92Å; L70-L72 HydrophobicContact CD2-CD1 4.48Å; L70-L72 HydrophobicContact CG-CG 4.33Å; L72-Q88 CarbonylContact O-C 3.29Å; L72-Q88 VanDerWaalsContact O-CA 3.29Å; L72-Q88 WeakPolarHBondContact O-CA 3.43Å; L72-A89 HydrophobicContact CB-CB 4.37Å; L72-A89 PolarHBondContact N-O 3.4Å; L72-A89 PolarHBondContact O-N 3.41Å; L72-L91 HydrophobicContact CD1-CD1 3.69Å; L72-L91 HydrophobicContact CD1-CG 4.49Å; L72-L125 HydrophobicContact CB-CD2 4.14Å; L72-L125 HydrophobicContact CD1-CD2 4.43Å; L72-V127 HydrophobicContact CD1-CG1 4.45Å; L72-V127 HydrophobicContact CD1-CG2 4.02Å
73T98.2Very high85.1Confident17 Ų1774.7 Ų74.710%0.10439%0.394CS..EExtended strand (participates in β ladder)trans-117112.3-173.3-50.70000111.5V30 T31 T71 L75 F85V30-T73 WeakPolarHBondContact CA-O 3.35Å; T31-T73 PolarHBondContact N-O 3.4Å; T31-T73 PolarHBondContact O-N 3.26Å; T71-T73 WeakPolarHBondContact CG2-OG1 3.32Å; T73-L75 HydrophobicContact CG2-CD1 4.36Å; T73-L75 HydrophobicContact CG2-CD2 4.35Å; T73-L75 HydrophobicContact CG2-CG 4.14Å; T73-F85 HydrophobicContact CG2-CD2 3.82Å; T73-F85 HydrophobicContact CG2-CE2 3.73Å
74C97.9Very high86Confident0 Ų071.8 Ų71.80%038%0.376CS..EExtended strand (participates in β ladder)trans-81129.1175.9-63.20000110.8L86 G87 L109C74-L86 HydrophobicContact CB-CB 4.1Å; C74-L86 WeakPolarHBondContact O-CB 3.45Å; C74-L86 PolarHBondContact O-N 3.21Å; C74-G87 PolarHBondContact N-O 2.83Å; C74-G87 PolarHBondContact O-N 2.91Å; C74-L109 HydrophobicContact CB-CD1 4.17Å
75L97.3Very high87.6Confident22 Ų2264 Ų6412%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-136.2143.4-168.7-71.5158.6000111.2C28 F29 T73 D83 E84C28-L75 WeakPolarHBondContact CA-O 3.45Å; F29-L75 HydrophobicContact CD1-CB 4.09Å; F29-L75 HydrophobicContact CD2-CB 4.27Å; F29-L75 HydrophobicContact CD2-CD1 4.4Å; F29-L75 HydrophobicContact CE1-CB 3.57Å; F29-L75 HydrophobicContact CE2-CB 3.81Å; F29-L75 HydrophobicContact CE2-CD1 3.5Å; F29-L75 VanDerWaalsContact CE2-CD1 3.5Å; F29-L75 HydrophobicContact CE2-CG 4.28Å; F29-L75 HydrophobicContact CG-CB 4.42Å; F29-L75 HydrophobicContact CZ-CB 3.43Å; F29-L75 VanDerWaalsContact CZ-CB 3.43Å; F29-L75 HydrophobicContact CZ-CD1 3.61Å; F29-L75 HydrophobicContact CZ-CG 4.12Å; F29-L75 PolarHBondContact N-O 3.48Å; F29-L75 PolarHBondContact O-N 3.03Å; T73-L75 HydrophobicContact CG2-CD1 4.36Å; T73-L75 HydrophobicContact CG2-CD2 4.35Å; T73-L75 HydrophobicContact CG2-CG 4.14Å; L75-D83 HydrophobicContact CB-CB 4.45Å; L75-D83 HydrophobicContact CD2-CB 4.12Å; L75-E84 CarbonylContact C-O 3.5Å; L75-E84 WeakPolarHBondContact CA-O 3.39Å
76H96.6Very high89.4Confident14 Ų1462.2 Ų62.27%0.06532%0.321CS..EExtended strand (participates in β ladder)trans-97.7118.8166.4166.537.5000110.2G21 N26 N27 N78 D83 E84 L86G21-H76 WeakPolarHBondContact CA-NE2 3.33Å; G21-H76 PolarHBondContact N-CD2 3.3Å; N26-H76 HydrophobicContact CB-CB 4.44Å; N27-H76 PolarHBondContact N-CE1 2.97Å; N27-H76 PolarHBondContact N-ND1 3.28Å; N27-H76 CarbonylContact O-C 3.18Å; N27-H76 WeakPolarHBondContact O-CA 3.48Å; N27-H76 PolarHBondContact O-ND1 2.91Å; H76-N78 PolarHBondContact O-N 3.13Å; H76-D83 CarbonylContact O-C 3.5Å; H76-D83 WeakPolarHBondContact O-CA 3.44Å; H76-E84 HydrophobicContact CB-CB 4.27Å; H76-E84 PolarHBondContact N-O 3.28Å; H76-E84 PolarHBondContact O-N 3.33Å; H76-L86 HydrophobicContact CB-CD1 4.29Å; H76-L86 HydrophobicContact CB-CD2 3.81Å; H76-L86 HydrophobicContact CB-CG 4.26Å
77R95.6Very high91.4Very high70 Ų7056.2 Ų56.226%0.26429%0.289SS..  trans-65.2105.1172.1-177.268.964.1-1542.5111N27 F29 V43 D83N27-R77 HydrophobicContact CB-CB 3.98Å; N27-R77 PolarHBondContact ND2-O 2.76Å; N27-R77 PolarHBondContact O-N 2.6Å; F29-R77 HydrophobicContact CD1-CB 4.12Å; F29-R77 HydrophobicContact CE1-CB 4.01Å; F29-R77 VanDerWaalsContact CE1-CZ 3.42Å; F29-R77 VanDerWaalsContact CZ-NH2 3.33Å; V43-R77 HydrophobicContact CG1-CB 3.96Å; V43-R77 HydrophobicContact CG1-CG 4.45Å; R77-D83 WeakPolarHBondContact CA-OD1 3.36Å; R77-D83 WeakPolarHBondContact CD-OD1 3.4Å; R77-D83 IonicContact CZ-OD1 3.51Å; R77-D83 IonicContact CZ-OD2 3.79Å; R77-D83 IonicContact NE-OD1 3.74Å; R77-D83 IonicContact NH1-OD1 2.76Å; R77-D83 PolarHBondContact NH1-OD1 3.43Å; R77-D83 IonicContact NH1-OD2 2.74Å; R77-D83 PolarHBondContact NH1-OD2 2.84Å
78N90.3Very high92.7Very high49 Ų4947.2 Ų47.226%0.26226%0.256SS..  trans-96125.6176.6178.76.5000110.4H76 L80 G81 I82H76-N78 PolarHBondContact O-N 3.13Å; N78-L80 PolarHBondContact O-N 2.96Å; N78-L80 VanDerWaalsContact O-N 3.08Å; N78-L80 PolarHBondContact OD1-N 2.96Å; N78-G81 PolarHBondContact O-N 3.28Å; N78-G81 VanDerWaalsContact O-N 3.13Å; N78-I82 VanDerWaalsContact CB-O 3.31Å; N78-I82 WeakPolarHBondContact CB-O 3.29Å; N78-I82 PolarHBondContact ND2-O 2.99Å
79N79.7Confident93.1Very high143 Ų14346.6 Ų46.677%0.76525%0.251SS*.THydrogen-bonded Turntrans-64.1-11.7178.7-59.380.7000114.1
80L80.7Confident93.3Very high147 Ų14744.5 Ų44.577%0.7725%0.245SC*.THydrogen-bonded Turntrans-93.517.3175.1-58.2176.4000113.6N78N78-L80 PolarHBondContact O-N 2.96Å; N78-L80 VanDerWaalsContact O-N 3.08Å; N78-L80 PolarHBondContact OD1-N 2.96Å
81G75.8Confident93.2Very high64 Ų6445.5 Ų45.566%0.6625%0.251SS*.SBendtrans103.6-32159.200000116.8N78N78-G81 PolarHBondContact O-N 3.28Å; N78-G81 VanDerWaalsContact O-N 3.13Å
82I89.4Confident93Very high140 Ų14045.1 Ų45.172%0.71825%0.248SC*.SBendtrans-107.2115.7178.8-56.2179000110.3N78N78-I82 VanDerWaalsContact CB-O 3.31Å; N78-I82 WeakPolarHBondContact CB-O 3.29Å; N78-I82 PolarHBondContact ND2-O 2.99Å
83D94.7Very high92.6Very high52 Ų5245.9 Ų45.928%0.27825%0.253SS..  trans-63.7134.7176.7-60.2-45.1000112F29 L75 H76 R77F29-D83 HydrophobicContact CE1-CB 4.41Å; F29-D83 HydrophobicContact CZ-CB 4.25Å; F29-D83 WeakPolarHBondContact CZ-OD2 3.35Å; L75-D83 HydrophobicContact CB-CB 4.45Å; L75-D83 HydrophobicContact CD2-CB 4.12Å; H76-D83 CarbonylContact O-C 3.5Å; H76-D83 WeakPolarHBondContact O-CA 3.44Å; R77-D83 WeakPolarHBondContact CA-OD1 3.36Å; R77-D83 WeakPolarHBondContact CD-OD1 3.4Å; R77-D83 IonicContact CZ-OD1 3.51Å; R77-D83 IonicContact CZ-OD2 3.79Å; R77-D83 IonicContact NE-OD1 3.74Å; R77-D83 IonicContact NH1-OD1 2.76Å; R77-D83 PolarHBondContact NH1-OD1 3.43Å; R77-D83 IonicContact NH1-OD2 2.74Å; R77-D83 PolarHBondContact NH1-OD2 2.84Å
84E94.6Very high92Very high64 Ų6449.8 Ų49.830%0.29927%0.273SS..EExtended strand (participates in β ladder)trans-88.5133.4-178.5-67.5-146.688.900112.7K20 L75 H76 L86K20-E84 HydrophobicContact CB-CB 4.39Å; K20-E84 WeakPolarHBondContact CB-OE2 3.48Å; K20-E84 WeakPolarHBondContact CE-OE1 3.23Å; K20-E84 IonicContact NZ-OE1 2.83Å; K20-E84 PolarHBondContact NZ-OE1 3.14Å; K20-E84 IonicContact NZ-OE2 2.83Å; K20-E84 PolarHBondContact NZ-OE2 3.05Å; L75-E84 CarbonylContact C-O 3.5Å; L75-E84 WeakPolarHBondContact CA-O 3.39Å; H76-E84 HydrophobicContact CB-CB 4.27Å; H76-E84 PolarHBondContact N-O 3.28Å; H76-E84 PolarHBondContact O-N 3.33Å; E84-L86 PolarHBondContact O-N 3.4Å
85F95.5Very high91.5Very high30 Ų3057 Ų5713%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-75.6114.3-178.2179.7-90.2000112.4T73 G87 Q88 K112 R122T73-F85 HydrophobicContact CG2-CD2 3.82Å; T73-F85 HydrophobicContact CG2-CE2 3.73Å; F85-G87 VanDerWaalsContact CZ-C 3.47Å; F85-Q88 HydrophobicContact CE2-CB 3.76Å; F85-Q88 HydrophobicContact CZ-CB 3.66Å; F85-K112 HydrophobicContact CD1-CG 4.13Å; F85-K112 HydrophobicContact CD2-CD 4.17Å; F85-K112 HydrophobicContact CD2-CG 3.66Å; F85-K112 HydrophobicContact CE1-CG 3.94Å; F85-K112 HydrophobicContact CE2-CD 4.36Å; F85-K112 HydrophobicContact CE2-CG 3.4Å; F85-K112 VanDerWaalsContact CE2-CG 3.4Å; F85-K112 HydrophobicContact CG-CD 4.42Å; F85-K112 HydrophobicContact CG-CG 4Å; F85-K112 HydrophobicContact CZ-CB 4.36Å; F85-K112 HydrophobicContact CZ-CG 3.57Å; F85-K112 VanDerWaalsContact CZ-N 3.31Å; F85-R122 PolarHBondContact O-NH1 3.06Å
86L95.8Very high91Very high0 Ų058 Ų580%031%0.311CS..EExtended strand (participates in β ladder)trans-87.9-46.2175.9-50.9-171.9000110.8L17 L18 K20 N26 C28 C74 H76 E84 R122L17-L86 HydrophobicContact CD1-CD1 4.26Å; L18-L86 WeakPolarHBondContact O-CD2 3.24Å; K20-L86 HydrophobicContact CB-CD2 3.85Å; K20-L86 HydrophobicContact CG-CD2 3.43Å; K20-L86 VanDerWaalsContact CG-CD2 3.43Å; N26-L86 HydrophobicContact CB-CD1 4.41Å; C28-L86 VanDerWaalsContact SG-CD1 3.6Å; C74-L86 HydrophobicContact CB-CB 4.1Å; C74-L86 WeakPolarHBondContact O-CB 3.45Å; C74-L86 PolarHBondContact O-N 3.21Å; H76-L86 HydrophobicContact CB-CD1 4.29Å; H76-L86 HydrophobicContact CB-CD2 3.81Å; H76-L86 HydrophobicContact CB-CG 4.26Å; E84-L86 PolarHBondContact O-N 3.4Å; L86-R122 WeakPolarHBondContact O-CB 3.05Å; L86-R122 VanDerWaalsContact O-CD 3.3Å; L86-R122 WeakPolarHBondContact O-CD 3.25Å; L86-R122 VanDerWaalsContact O-CG 3.24Å; L86-R122 WeakPolarHBondContact O-CG 3.31Å; L86-R122 PolarHBondContact O-NH1 2.88Å
87G96.4Very high90.3Very high0 Ų062.2 Ų62.20%033%0.334CS..EExtended strand (participates in β ladder)trans176.6170.6176.700000113C74 F85 E110C74-G87 PolarHBondContact N-O 2.83Å; C74-G87 PolarHBondContact O-N 2.91Å; F85-G87 VanDerWaalsContact CZ-C 3.47Å; G87-E110 WeakPolarHBondContact CA-O 3.37Å
88Q96.9Very high89.6Confident27 Ų2760.5 Ų60.513%0.12633%0.332CS..EExtended strand (participates in β ladder)trans-139141.2-178.8175174.7-19.700111.4T71 L72 F85 T90 E110T71-Q88 HydrophobicContact CG2-CG 4.25Å; L72-Q88 CarbonylContact O-C 3.29Å; L72-Q88 VanDerWaalsContact O-CA 3.29Å; L72-Q88 WeakPolarHBondContact O-CA 3.43Å; F85-Q88 HydrophobicContact CE2-CB 3.76Å; F85-Q88 HydrophobicContact CZ-CB 3.66Å; Q88-T90 PolarHBondContact NE2-OG1 2.86Å; Q88-E110 PolarHBondContact N-O 3.34Å; Q88-E110 VanDerWaalsContact N-O 3.11Å; Q88-E110 PolarHBondContact O-N 2.95Å
89A96.9Very high89Confident4 Ų464 Ų643%0.03334%0.342CS..EExtended strand (participates in β ladder)trans-114.1131.8160.200000108.6L72 L91 F107 L109L72-A89 HydrophobicContact CB-CB 4.37Å; L72-A89 PolarHBondContact N-O 3.4Å; L72-A89 PolarHBondContact O-N 3.41Å; A89-L91 HydrophobicContact CB-CD2 4.45Å; A89-F107 HydrophobicContact CB-CB 4.11Å; A89-L109 HydrophobicContact CB-CD2 4.27Å
90T96Very high89.1Confident57 Ų5760.5 Ų60.535%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-114.3123173.9-59.40000107.4E69 Q88E69-T90 HydrophobicContact CB-CG2 3.92Å; E69-T90 HydrophobicContact CG-CG2 4.14Å; E69-T90 VanDerWaalsContact OE2-CG2 3.23Å; E69-T90 WeakPolarHBondContact OE2-CG2 3.06Å; Q88-T90 PolarHBondContact NE2-OG1 2.86Å
91L94Very high89.3Confident22 Ų2262.7 Ų62.712%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-125.5104.1-170.2-52.4176.8000110.2L70 L72 A89 L93 M96 F107 I129L70-L91 HydrophobicContact CB-CB 4.42Å; L70-L91 PolarHBondContact N-O 2.92Å; L70-L91 PolarHBondContact O-N 3.11Å; L72-L91 HydrophobicContact CD1-CD1 3.69Å; L72-L91 HydrophobicContact CD1-CG 4.49Å; A89-L91 HydrophobicContact CB-CD2 4.45Å; L91-L93 PolarHBondContact O-N 3.22Å; L91-M96 HydrophobicContact CB-CE 3.37Å; L91-M96 HydrophobicContact CD1-CE 4.21Å; L91-M96 HydrophobicContact CG-CE 4.42Å; L91-F107 HydrophobicContact CD1-CD1 3.75Å; L91-F107 HydrophobicContact CD1-CD2 4.21Å; L91-F107 HydrophobicContact CD1-CE1 3.66Å; L91-F107 HydrophobicContact CD1-CE2 4.14Å; L91-F107 HydrophobicContact CD1-CG 4.01Å; L91-F107 HydrophobicContact CD1-CZ 3.86Å; L91-F107 HydrophobicContact CD2-CD1 3.39Å; L91-F107 HydrophobicContact CD2-CE1 3.71Å; L91-F107 HydrophobicContact CD2-CG 4.15Å; L91-F107 HydrophobicContact CG-CD1 4.24Å; L91-F107 HydrophobicContact CG-CE1 4.35Å; L91-I129 HydrophobicContact CD1-CD1 3.76Å
92P92.6Very high90Very high25 Ų2562.6 Ų62.616%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-64.3125.9178.3-21.333.9000111.7E69 N94 E95E69-P92 HydrophobicContact CG-CG 4.49Å; P92-N94 WeakPolarHBondContact CB-OD1 3.4Å; P92-N94 PolarHBondContact O-N 2.9Å; P92-E95 HydrophobicContact CB-CG 4.12Å; P92-E95 HydrophobicContact CG-CG 4.49Å; P92-E95 PolarHBondContact O-N 2.95Å; P92-E95 VanDerWaalsContact O-N 3.14Å
93L89.4Confident90.2Very high17 Ų1764 Ų649%0.08931%0.305CS..THydrogen-bonded Turntrans-69.1-15.8-176.6-65.7-170.8000113.5L34 I61 A68 L70 L91 M96 F131L34-L93 HydrophobicContact CD1-CD1 3.7Å; L34-L93 HydrophobicContact CD1-CG 4.28Å; L34-L93 HydrophobicContact CD2-CD1 4.06Å; I61-L93 HydrophobicContact CD1-CD1 4.41Å; I61-L93 HydrophobicContact CG1-CD1 4.09Å; A68-L93 HydrophobicContact CB-CD1 4.14Å; A68-L93 WeakPolarHBondContact O-CB 3.37Å; A68-L93 WeakPolarHBondContact O-CG 3.1Å; A68-L93 PolarHBondContact O-N 3.28Å; L70-L93 HydrophobicContact CB-CD2 4.11Å; L91-L93 PolarHBondContact O-N 3.22Å; L93-M96 HydrophobicContact CD2-CE 3.79Å; L93-M96 HydrophobicContact CD2-SD 3.72Å; L93-F131 HydrophobicContact CD1-CE1 4.4Å; L93-F131 HydrophobicContact CD2-CE1 4.18Å; L93-F131 HydrophobicContact CD2-CZ 4.13Å
94N86.3Confident90.3Very high99 Ų9963.4 Ų63.453%0.52931%0.308SS..THydrogen-bonded Turntrans-79-16.617460.7-58.4000113.9N66 P92N66-N94 WeakPolarHBondContact O-CB 3.49Å; P92-N94 WeakPolarHBondContact CB-OD1 3.4Å; P92-N94 PolarHBondContact O-N 2.9Å
95E87.6Confident90.4Very high152 Ų15265 Ų6571%0.7131%0.314SS*.SBendtrans-88.8-8.2174.7-66.3177-175.500112.2P92P92-E95 HydrophobicContact CB-CG 4.12Å; P92-E95 HydrophobicContact CG-CG 4.49Å; P92-E95 PolarHBondContact O-N 2.95Å; P92-E95 VanDerWaalsContact O-N 3.14Å
96M85.7Confident90.5Very high41 Ų4167 Ų6720%0.20232%0.32CS..SBendtrans-93127.8178.6-55.5-175-170.600111L91 L93 V98 I129 F131L91-M96 HydrophobicContact CB-CE 3.37Å; L91-M96 HydrophobicContact CD1-CE 4.21Å; L91-M96 HydrophobicContact CG-CE 4.42Å; L93-M96 HydrophobicContact CD2-CE 3.79Å; L93-M96 HydrophobicContact CD2-SD 3.72Å; M96-V98 PolarHBondContact O-N 3.45Å; M96-I129 HydrophobicContact CE-CD1 3.64Å; M96-I129 HydrophobicContact SD-CD1 3.98Å; M96-I129 HydrophobicContact SD-CG2 3.9Å; M96-F131 HydrophobicContact CB-CE2 3.67Å; M96-F131 HydrophobicContact CB-CZ 3.78Å; M96-F131 HydrophobicContact CG-CZ 4.39Å; M96-F131 HydrophobicContact SD-CE2 4.16Å; M96-F131 HydrophobicContact SD-CZ 3.82Å
97D82.3Confident90.6Very high103 Ų10368.9 Ų68.955%0.55133%0.329SS*.  trans-70.7117.6169.4-173.2-1.6000110.3Y99 D100D97-Y99 PolarHBondContact O-N 3.48Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.34Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.31Å; D97-Y99 PolarHBondContact OD1-N 3.46Å; D97-D100 HydrophobicContact CB-CB 3.99Å; D97-D100 PolarHBondContact O-N 2.88Å
98V81.8Confident90.6Very high35 Ų3575.9 Ų75.921%0.21236%0.359CS..THydrogen-bonded Turntrans-68.2-17.1177.3176.80000112.1W2 P4 M96 F131W2-V98 HydrophobicContact CE3-CG1 4.43Å; W2-V98 HydrophobicContact CH2-CG1 3.49Å; W2-V98 VanDerWaalsContact CH2-CG1 3.49Å; W2-V98 HydrophobicContact CZ2-CG1 3.5Å; W2-V98 VanDerWaalsContact CZ2-CG1 3.5Å; W2-V98 HydrophobicContact CZ3-CG1 3.98Å; P4-V98 HydrophobicContact CB-CG1 4.46Å; P4-V98 HydrophobicContact CG-CG1 4.22Å; P4-V98 HydrophobicContact CG-CG2 4.15Å; M96-V98 PolarHBondContact O-N 3.45Å; V98-F131 HydrophobicContact CB-CD2 4.25Å; V98-F131 HydrophobicContact CG1-CB 4.03Å; V98-F131 HydrophobicContact CG1-CD2 4.43Å; V98-F131 HydrophobicContact CG1-CG 4.28Å; V98-F131 HydrophobicContact CG2-CD2 3.99Å; V98-F131 HydrophobicContact CG2-CE2 4.11Å; V98-F131 HydrophobicContact CG2-CG 4.18Å; V98-F131 HydrophobicContact CG2-CZ 4.42Å
99Y76.9Confident90.6Very high122 Ų12275 Ų7548%0.47836%0.356SS..THydrogen-bonded Turntrans-102.7-11.2-179.3-55.8-88.9000113.7M1 W2 D97M1-Y99 HydrophobicContact CE-CE2 4.04Å; M1-Y99 WeakPolarHBondContact CG-OH 3.39Å; W2-Y99 AromaticContact CD1-CE1 3.78Å; W2-Y99 AromaticContact NE1-CD1 3.98Å; W2-Y99 AromaticContact NE1-CE1 3.26Å; W2-Y99 VanDerWaalsContact NE1-CE1 3.26Å; W2-Y99 AromaticContact NE1-CZ 3.8Å; D97-Y99 PolarHBondContact O-N 3.48Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.34Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.31Å; D97-Y99 PolarHBondContact OD1-N 3.46Å
100D82.4Confident90.5Very high69 Ų6980.8 Ų80.837%0.36938%0.382SS..SBendtrans-64.8144.8173-178.527.1000110.4D97 P102 K105D97-D100 HydrophobicContact CB-CB 3.99Å; D97-D100 PolarHBondContact O-N 2.88Å; D100-P102 VanDerWaalsContact O-CD 3.29Å; D100-P102 WeakPolarHBondContact O-CD 3.37Å; D100-K105 IonicContact OD2-NZ 2.91Å; D100-K105 PolarHBondContact OD2-NZ 2.68Å
101R85.5Confident90.4Very high193 Ų19379 Ų7973%0.72837%0.372SS*.PPolyproline II helixtrans-69.3121-178.9-178.4174178.3168.41.9109.2R103R101-R103 WeakPolarHBondContact O-CG 3.4Å; R101-R103 PolarHBondContact O-N 3.28Å
102P90.4Very high90.1Very high63 Ų6383.5 Ų83.541%0.40939%0.39SS..PPolyproline II helixtrans-50.1116.1-179.7-31.838.1000112.7D100 R128 I129 A130D100-P102 VanDerWaalsContact O-CD 3.29Å; D100-P102 WeakPolarHBondContact O-CD 3.37Å; P102-R128 HydrophobicContact CB-CG 4.28Å; P102-I129 WeakPolarHBondContact CB-O 3.32Å; P102-A130 HydrophobicContact CB-CB 3.8Å; P102-A130 HydrophobicContact CG-CB 3.69Å
103R92.8Very high89.7Confident168 Ų16887.2 Ų87.263%0.63442%0.415SS*.  trans-133.2147.4-176-85175165.9-163.5-3.9110R101 K105R101-R103 WeakPolarHBondContact O-CG 3.4Å; R101-R103 PolarHBondContact O-N 3.28Å; R103-K105 PolarHBondContact O-N 2.92Å
104A95.9Very high89.3Confident41 Ų4189.4 Ų89.434%0.33944%0.441SS..EExtended strand (participates in β ladder)trans-63.6126.9165.700000108.9E126 V127A104-E126 HydrophobicContact CB-CG 3.89Å; A104-V127 WeakPolarHBondContact CA-O 3.32Å
105K96.4Very high89Confident97 Ų9792 Ų9242%0.42245%0.447SS..EExtended strand (participates in β ladder)trans-129143.5176.3-65176.1-175.4174.40107.7D100 R103 F107 E126 V127D100-K105 IonicContact OD2-NZ 2.91Å; D100-K105 PolarHBondContact OD2-NZ 2.68Å; R103-K105 PolarHBondContact O-N 2.92Å; K105-F107 HydrophobicContact CB-CE2 3.88Å; K105-F107 HydrophobicContact CB-CZ 3.87Å; K105-F107 VanDerWaalsContact O-CD2 3.32Å; K105-F107 WeakPolarHBondContact O-CD2 3.24Å; K105-F107 WeakPolarHBondContact O-CE2 3.46Å; K105-E126 WeakPolarHBondContact O-CA 3.46Å; K105-V127 PolarHBondContact N-O 3.39Å; K105-V127 PolarHBondContact O-N 3.37Å
106W98.1Very high88.4Confident71 Ų7190.4 Ų90.427%0.26944%0.44SS..EExtended strand (participates in β ladder)trans-86.3124.8175.4-74.489.2000109.6R13 R15 E124 E126R13-W106 HydrophobicContact CG-CH2 3.88Å; R13-W106 HydrophobicContact CG-CZ2 4.34Å; R15-W106 HydrophobicContact CB-CH2 4.06Å; R15-W106 HydrophobicContact CB-CZ3 4.07Å; R15-W106 HydrophobicContact CG-CE3 4.15Å; R15-W106 HydrophobicContact CG-CH2 3.78Å; R15-W106 HydrophobicContact CG-CZ3 3.49Å; R15-W106 VanDerWaalsContact CG-CZ3 3.49Å; W106-E124 HydrophobicContact CE3-CB 3.63Å; W106-E124 HydrophobicContact CZ3-CB 4.23Å; W106-E126 HydrophobicContact CD2-CB 3.76Å; W106-E126 HydrophobicContact CD2-CG 4.22Å; W106-E126 HydrophobicContact CE3-CB 3.8Å; W106-E126 HydrophobicContact CG-CB 4.43Å; W106-E126 HydrophobicContact CH2-CB 3.82Å; W106-E126 HydrophobicContact CZ2-CB 3.76Å; W106-E126 HydrophobicContact CZ2-CG 4.21Å; W106-E126 HydrophobicContact CZ3-CB 3.82Å; W106-E126 PolarHBondContact NE1-OE1 3.02Å
107F97.4Very high87.2Confident40 Ų4098.8 Ų98.818%0.17548%0.475CS..EExtended strand (participates in β ladder)trans-110.2130176-60.2-81.6000109A89 L91 K105 E124 L125 V127 I129A89-F107 HydrophobicContact CB-CB 4.11Å; L91-F107 HydrophobicContact CD1-CD1 3.75Å; L91-F107 HydrophobicContact CD1-CD2 4.21Å; L91-F107 HydrophobicContact CD1-CE1 3.66Å; L91-F107 HydrophobicContact CD1-CE2 4.14Å; L91-F107 HydrophobicContact CD1-CG 4.01Å; L91-F107 HydrophobicContact CD1-CZ 3.86Å; L91-F107 HydrophobicContact CD2-CD1 3.39Å; L91-F107 HydrophobicContact CD2-CE1 3.71Å; L91-F107 HydrophobicContact CD2-CG 4.15Å; L91-F107 HydrophobicContact CG-CD1 4.24Å; L91-F107 HydrophobicContact CG-CE1 4.35Å; K105-F107 HydrophobicContact CB-CE2 3.88Å; K105-F107 HydrophobicContact CB-CZ 3.87Å; K105-F107 VanDerWaalsContact O-CD2 3.32Å; K105-F107 WeakPolarHBondContact O-CD2 3.24Å; K105-F107 WeakPolarHBondContact O-CE2 3.46Å; F107-E124 CarbonylContact O-C 3.6Å; F107-E124 VanDerWaalsContact O-CA 3.26Å; F107-E124 WeakPolarHBondContact O-CA 3.49Å; F107-L125 PolarHBondContact N-O 2.95Å; F107-L125 PolarHBondContact O-N 3.31Å; F107-V127 HydrophobicContact CD2-CB 4.05Å; F107-V127 HydrophobicContact CD2-CG2 4.32Å; F107-V127 HydrophobicContact CE2-CB 3.97Å; F107-I129 HydrophobicContact CE2-CD1 4.38Å; F107-I129 HydrophobicContact CZ-CD1 4.14Å
108K97Very high86.4Confident147 Ų147101.3 Ų101.364%0.63948%0.481SS*.EExtended strand (participates in β ladder)trans-70.4144.1175.9-67.8-169.4172.5-1710110E124K108-E124 WeakPolarHBondContact CE-OE1 3.36Å; K108-E124 HydrophobicContact CG-CG 4.16Å
109L97Very high85.7Confident10 Ų10107.7 Ų107.75%0.05251%0.514CS..  trans-97.7128.4176.8-63.8172000110L17 C74 A89 R122 G123 L125L17-L109 HydrophobicContact CD2-CD1 3.43Å; L17-L109 VanDerWaalsContact CD2-CD1 3.43Å; C74-L109 HydrophobicContact CB-CD1 4.17Å; A89-L109 HydrophobicContact CB-CD2 4.27Å; L109-R122 HydrophobicContact CB-CB 4.03Å; L109-R122 WeakPolarHBondContact O-CB 3.45Å; L109-G123 WeakPolarHBondContact CB-O 3.46Å; L109-G123 PolarHBondContact N-O 2.84Å; L109-L125 HydrophobicContact CD1-CB 4.49Å; L109-L125 HydrophobicContact CD2-CB 4.14Å; L109-L125 HydrophobicContact CG-CB 4.42Å
110E94.8Very high86.1Confident125 Ų125108 Ų10858%0.58452%0.518SS*.BIsolated β-bridgetrans-110.2179.4-173.9-57.1-167.6157.100111.6G87 Q88 R122G87-E110 WeakPolarHBondContact CA-O 3.37Å; Q88-E110 PolarHBondContact N-O 3.34Å; Q88-E110 VanDerWaalsContact N-O 3.11Å; Q88-E110 PolarHBondContact O-N 2.95Å; E110-R122 WeakPolarHBondContact O-CD 3.25Å
111S93.8Very high86.4Confident19 Ų19113.5 Ų113.513%0.13354%0.541CS..PPolyproline II helixtrans-67.6164.3167.649.90000111.9E116S111-E116 VanDerWaalsContact OG-CA 3.3Å; S111-E116 WeakPolarHBondContact OG-CA 3.36Å; S111-E116 PolarHBondContact OG-N 2.71Å
112K89.1Confident86.9Confident116 Ų116106 Ų10650%0.50451%0.513SS..SBendtrans-54.1144.7160.5-66.7-171177.2-172.40109.5F85 K115F85-K112 HydrophobicContact CD1-CG 4.13Å; F85-K112 HydrophobicContact CD2-CD 4.17Å; F85-K112 HydrophobicContact CD2-CG 3.66Å; F85-K112 HydrophobicContact CE1-CG 3.94Å; F85-K112 HydrophobicContact CE2-CD 4.36Å; F85-K112 HydrophobicContact CE2-CG 3.4Å; F85-K112 VanDerWaalsContact CE2-CG 3.4Å; F85-K112 HydrophobicContact CG-CD 4.42Å; F85-K112 HydrophobicContact CG-CG 4Å; F85-K112 HydrophobicContact CZ-CB 4.36Å; F85-K112 HydrophobicContact CZ-CG 3.57Å; F85-K112 VanDerWaalsContact CZ-N 3.31Å; K112-K115 WeakPolarHBondContact O-CB 3.3Å; K112-K115 PolarHBondContact O-N 2.89Å; K112-K115 VanDerWaalsContact O-N 3.13Å
113P82.6Confident87.1Confident104 Ų104103.7 Ų103.768%0.67550%0.501SS*.THydrogen-bonded Turntrans-54.3140.2178.121.2-33.3000111.6K115P113-K115 VanDerWaalsContact C-N 3.29Å; P113-K115 PolarHBondContact O-N 2.96Å
114G80.8Confident87.4Confident62 Ų6297.6 Ų97.664%0.63948%0.48SS*.THydrogen-bonded Turntrans76.411.3-176.800000114.4E116G114-E116 WeakPolarHBondContact CA-OE1 3.33Å; G114-E116 PolarHBondContact N-OE1 2.88Å
115K81.6Confident87.5Confident153 Ų15395.7 Ų95.767%0.66546%0.463SS*.  trans-126.418.3175.8-58.7-64.4174.7-160.80113.5K112 P113 K117K112-K115 WeakPolarHBondContact O-CB 3.3Å; K112-K115 PolarHBondContact O-N 2.89Å; K112-K115 VanDerWaalsContact O-N 3.13Å; P113-K115 VanDerWaalsContact C-N 3.29Å; P113-K115 PolarHBondContact O-N 2.96Å; K115-K117 PolarHBondContact O-N 2.71Å; K115-K117 VanDerWaalsContact O-N 3.08Å
116E75.3Confident87.6Confident120 Ų12092 Ų9256%0.56145%0.448SS*.THydrogen-bonded Turntrans-57.9-22.1-179-58.8104.5-10300115S111 G114 K118 N119S111-E116 VanDerWaalsContact OG-CA 3.3Å; S111-E116 WeakPolarHBondContact OG-CA 3.36Å; S111-E116 PolarHBondContact OG-N 2.71Å; G114-E116 WeakPolarHBondContact CA-OE1 3.33Å; G114-E116 PolarHBondContact N-OE1 2.88Å; E116-K118 CarbonylContact O-C 3.42Å; E116-K118 PolarHBondContact O-N 2.89Å; E116-N119 PolarHBondContact O-N 3.05Å
117K60.3Low87.6Confident216 Ų21688.6 Ų88.694%0.93944%0.435SS*.THydrogen-bonded Turntrans-56.6-3.9179.5-66.7-169.6177.5-177.40115.5K115K115-K117 PolarHBondContact O-N 2.71Å; K115-K117 VanDerWaalsContact O-N 3.08Å
118K65.1Low87.6Confident157 Ų15790.1 Ų90.168%0.68344%0.44SS*.SBendtrans-120.882168.5-69.6-176.2178.61790109.2E116 K120E116-K118 CarbonylContact O-C 3.42Å; E116-K118 PolarHBondContact O-N 2.89Å; K118-K120 PolarHBondContact O-N 2.88Å
119N67Low87.5Confident169 Ų16984.1 Ų84.190%0.90441%0.414SS*.  trans-7066.8-179.5-150.69.2000111.2E116E116-N119 PolarHBondContact O-N 3.05Å
120K84.7Confident87.4Confident128 Ų12884.2 Ų84.256%0.55742%0.417SS*.  trans-90.5134.8176.3-67-167.4172-157.60108.8K118 R122K118-K120 PolarHBondContact O-N 2.88Å; K120-R122 PolarHBondContact O-N 2.79Å
121E89.6Confident87.3Confident184 Ų18479.7 Ų79.786%0.8640%0.395SS*.  trans-60.6132.6164.8-59.9-170.7146.700109.6
122R94.7Very high87.1Confident36 Ų3681 Ų8114%0.13640%0.402CS..  trans-125.65.9-178.3-69.9170.4175.7-78.62.5113.1G16 L17 L18 F85 L86 L109 E110 K120G16-R122 CarbonylContact O-C 3.53Å; L17-R122 WeakPolarHBondContact CA-O 3.49Å; L17-R122 WeakPolarHBondContact CD2-O 3.45Å; L18-R122 HydrophobicContact CB-CG 4.48Å; L18-R122 HydrophobicContact CD2-CG 4.48Å; F85-R122 PolarHBondContact O-NH1 3.06Å; L86-R122 WeakPolarHBondContact O-CB 3.05Å; L86-R122 VanDerWaalsContact O-CD 3.3Å; L86-R122 WeakPolarHBondContact O-CD 3.25Å; L86-R122 VanDerWaalsContact O-CG 3.24Å; L86-R122 WeakPolarHBondContact O-CG 3.31Å; L86-R122 PolarHBondContact O-NH1 2.88Å; L109-R122 HydrophobicContact CB-CB 4.03Å; L109-R122 WeakPolarHBondContact O-CB 3.45Å; E110-R122 WeakPolarHBondContact O-CD 3.25Å; K120-R122 PolarHBondContact O-N 2.79Å
123G96.3Very high87.1Confident14 Ų1479.5 Ų79.514%0.14440%0.403CS..  trans88.1-169.3-17600000113.8R15 G16 L109R15-G123 CarbonylContact O-C 3.53Å; R15-G123 WeakPolarHBondContact O-CA 3.47Å; G16-G123 VanDerWaalsContact C-CA 3.44Å; G16-G123 WeakPolarHBondContact O-CA 3.36Å; G16-G123 PolarHBondContact O-N 3.48Å; G16-G123 VanDerWaalsContact O-N 3.11Å; L109-G123 WeakPolarHBondContact CB-O 3.46Å; L109-G123 PolarHBondContact N-O 2.84Å
124E98.1Very high87.2Confident41 Ų4179.1 Ų79.119%0.19239%0.39CS..EExtended strand (participates in β ladder)trans-136.2151.1-178.5-53.9-177.213800109.5A14 R15 W106 F107 K108A14-E124 CarbonylContact C-O 3.6Å; A14-E124 WeakPolarHBondContact CA-O 3.23Å; R15-E124 HydrophobicContact CG-CB 4.3Å; R15-E124 IonicContact CZ-OE2 3.14Å; R15-E124 PolarHBondContact N-O 2.91Å; R15-E124 IonicContact NE-OE2 2.67Å; R15-E124 PolarHBondContact NE-OE2 2.81Å; R15-E124 IonicContact NH2-OE2 2.75Å; R15-E124 PolarHBondContact NH2-OE2 2.92Å; R15-E124 PolarHBondContact O-N 3.18Å; W106-E124 HydrophobicContact CE3-CB 3.63Å; W106-E124 HydrophobicContact CZ3-CB 4.23Å; F107-E124 CarbonylContact O-C 3.6Å; F107-E124 VanDerWaalsContact O-CA 3.26Å; F107-E124 WeakPolarHBondContact O-CA 3.49Å; K108-E124 WeakPolarHBondContact CE-OE1 3.36Å; K108-E124 HydrophobicContact CG-CG 4.16Å
125L98.4Very high86.4Confident0 Ų081.9 Ų81.90%040%0.4CS..EExtended strand (participates in β ladder)trans-120124.9179.6-169.771.9000109.9V11 A14 V30 W53 L72 F107 L109 V127V11-L125 HydrophobicContact CG1-CD1 4.01Å; V11-L125 HydrophobicContact CG1-CD2 4.43Å; V11-L125 HydrophobicContact CG1-CG 4.46Å; A14-L125 HydrophobicContact CB-CD1 3.84Å; V30-L125 HydrophobicContact CG1-CD2 4.19Å; V30-L125 HydrophobicContact CG2-CD1 4.14Å; W53-L125 HydrophobicContact CZ3-CD1 3.96Å; L72-L125 HydrophobicContact CB-CD2 4.14Å; L72-L125 HydrophobicContact CD1-CD2 4.43Å; F107-L125 PolarHBondContact N-O 2.95Å; F107-L125 PolarHBondContact O-N 3.31Å; L109-L125 HydrophobicContact CD1-CB 4.49Å; L109-L125 HydrophobicContact CD2-CB 4.14Å; L109-L125 HydrophobicContact CG-CB 4.42Å; L125-V127 HydrophobicContact CB-CG2 4.44Å; L125-V127 HydrophobicContact CD2-CG2 3.66Å; L125-V127 HydrophobicContact CG-CG2 3.68Å
126E98.5Very high85.4Confident19 Ų1977 Ų779%0.08939%0.393CS..EExtended strand (participates in β ladder)trans-90.2115.5175.3-167.9170.4-126.400110Q12 R13 A104 K105 W106Q12-E126 PolarHBondContact N-O 3.02Å; R13-E126 HydrophobicContact CG-CB 4.04Å; R13-E126 IonicContact CZ-OE2 3.38Å; R13-E126 IonicContact NE-OE2 2.67Å; R13-E126 PolarHBondContact NE-OE2 3.43Å; R13-E126 IonicContact NH2-OE1 2.6Å; R13-E126 PolarHBondContact NH2-OE1 2.77Å; R13-E126 IonicContact NH2-OE2 3.16Å; R13-E126 PolarHBondContact NH2-OE2 2.89Å; R13-E126 PolarHBondContact O-N 3.04Å; A104-E126 HydrophobicContact CB-CG 3.89Å; K105-E126 WeakPolarHBondContact O-CA 3.46Å; W106-E126 HydrophobicContact CD2-CB 3.76Å; W106-E126 HydrophobicContact CD2-CG 4.22Å; W106-E126 HydrophobicContact CE3-CB 3.8Å; W106-E126 HydrophobicContact CG-CB 4.43Å; W106-E126 HydrophobicContact CH2-CB 3.82Å; W106-E126 HydrophobicContact CZ2-CB 3.76Å; W106-E126 HydrophobicContact CZ2-CG 4.21Å; W106-E126 HydrophobicContact CZ3-CB 3.82Å; W106-E126 PolarHBondContact NE1-OE1 3.02Å
127V98.3Very high84.2Confident1 Ų173.7 Ų73.71%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-131.3136.9-175.2-1740000109.9V9 T10 V11 L72 A104 K105 F107 L125 I129V9-V127 HydrophobicContact CG1-CG1 3.64Å; T10-V127 CarbonylContact O-C 3.55Å; T10-V127 VanDerWaalsContact O-CA 3.32Å; T10-V127 WeakPolarHBondContact O-CA 3.42Å; T10-V127 WeakPolarHBondContact O-CG1 3.26Å; V11-V127 HydrophobicContact CG2-CG1 4.4Å; V11-V127 HydrophobicContact CG2-CG2 4.2Å; L72-V127 HydrophobicContact CD1-CG1 4.45Å; L72-V127 HydrophobicContact CD1-CG2 4.02Å; A104-V127 WeakPolarHBondContact CA-O 3.32Å; K105-V127 PolarHBondContact N-O 3.39Å; K105-V127 PolarHBondContact O-N 3.37Å; F107-V127 HydrophobicContact CD2-CB 4.05Å; F107-V127 HydrophobicContact CD2-CG2 4.32Å; F107-V127 HydrophobicContact CE2-CB 3.97Å; L125-V127 HydrophobicContact CB-CG2 4.44Å; L125-V127 HydrophobicContact CD2-CG2 3.66Å; L125-V127 HydrophobicContact CG-CG2 3.68Å; V127-I129 HydrophobicContact CG1-CG1 3.97Å
128R97.2Very high83.7Confident71 Ų7170.1 Ų70.127%0.26837%0.374SS..EExtended strand (participates in β ladder)trans-97.3128.2165.4-170-166.383.3-144.22.4108T10 E56 P102T10-R128 PolarHBondContact N-O 3.49Å; T10-R128 PolarHBondContact O-N 2.93Å; T10-R128 PolarHBondContact OG1-NE 2.92Å; T10-R128 PolarHBondContact OG1-NH1 3.37Å; T10-R128 PolarHBondContact OG1-NH2 3.17Å; T10-R128 VanDerWaalsContact OG1-NH2 3.15Å; E56-R128 IonicContact OE1-NH2 2.67Å; E56-R128 PolarHBondContact OE1-NH2 3.19Å; E56-R128 IonicContact OE2-CZ 2.71Å; E56-R128 IonicContact OE2-NH1 3.25Å; E56-R128 PolarHBondContact OE2-NH1 2.9Å; E56-R128 IonicContact OE2-NH2 2.66Å; E56-R128 PolarHBondContact OE2-NH2 3.47Å; P102-R128 HydrophobicContact CB-CG 4.28Å
129I95.5Very high83Confident22 Ų2267.6 Ų67.611%0.11337%0.371CS..EExtended strand (participates in β ladder)trans-115.5137.9175.1-56.4173.9000108C7 S8 L70 L91 M96 P102 F107 V127C7-I129 VanDerWaalsContact SG-CG2 3.57Å; S8-I129 WeakPolarHBondContact O-CA 3.46Å; L70-I129 HydrophobicContact CD2-CD1 3.72Å; L70-I129 HydrophobicContact CD2-CG1 4.2Å; L91-I129 HydrophobicContact CD1-CD1 3.76Å; M96-I129 HydrophobicContact CE-CD1 3.64Å; M96-I129 HydrophobicContact SD-CD1 3.98Å; M96-I129 HydrophobicContact SD-CG2 3.9Å; P102-I129 WeakPolarHBondContact CB-O 3.32Å; F107-I129 HydrophobicContact CE2-CD1 4.38Å; F107-I129 HydrophobicContact CZ-CD1 4.14Å; V127-I129 HydrophobicContact CG1-CG1 3.97Å
130A93.9Very high82.1Confident12 Ų1263.9 Ų63.910%0.09935%0.351CS..EExtended strand (participates in β ladder)trans-141.6134.8-179.400000110.4S8 P102S8-A130 PolarHBondContact N-O 3.21Å; S8-A130 PolarHBondContact O-N 3.1Å; S8-A130 VanDerWaalsContact OG-CB 3.24Å; S8-A130 WeakPolarHBondContact OG-CB 3.3Å; P102-A130 HydrophobicContact CB-CB 3.8Å; P102-A130 HydrophobicContact CG-CB 3.69Å
131F92.1Very high80.3Confident29 Ų2964.4 Ų64.413%0.12736%0.36CS..EExtended strand (participates in β ladder)trans-96.1136.1177.4-71-74.7000111W2 P4 I61 L93 M96 V98W2-F131 HydrophobicContact CH2-CB 4.06Å; P4-F131 HydrophobicContact CB-CB 3.82Å; P4-F131 HydrophobicContact CB-CD1 3.79Å; P4-F131 HydrophobicContact CB-CG 4.17Å; P4-F131 HydrophobicContact CG-CB 4.5Å; P4-F131 HydrophobicContact CG-CD1 3.87Å; P4-F131 HydrophobicContact CG-CE1 4.49Å; P4-F131 HydrophobicContact CG-CG 4.4Å; I61-F131 HydrophobicContact CD1-CD1 3.97Å; I61-F131 HydrophobicContact CD1-CE1 4.17Å; L93-F131 HydrophobicContact CD1-CE1 4.4Å; L93-F131 HydrophobicContact CD2-CE1 4.18Å; L93-F131 HydrophobicContact CD2-CZ 4.13Å; M96-F131 HydrophobicContact CB-CE2 3.67Å; M96-F131 HydrophobicContact CB-CZ 3.78Å; M96-F131 HydrophobicContact CG-CZ 4.39Å; M96-F131 HydrophobicContact SD-CE2 4.16Å; M96-F131 HydrophobicContact SD-CZ 3.82Å; V98-F131 HydrophobicContact CB-CD2 4.25Å; V98-F131 HydrophobicContact CG1-CB 4.03Å; V98-F131 HydrophobicContact CG1-CD2 4.43Å; V98-F131 HydrophobicContact CG1-CG 4.28Å; V98-F131 HydrophobicContact CG2-CD2 3.99Å; V98-F131 HydrophobicContact CG2-CE2 4.11Å; V98-F131 HydrophobicContact CG2-CG 4.18Å; V98-F131 HydrophobicContact CG2-CZ 4.42Å
132V90Very high78.2Confident47 Ų4760.2 Ų60.229%0.28535%0.351SS..EExtended strand (participates in β ladder)trans-136.1156.6-178.2-56.40000112.7T5 H6 E58T5-V132 PolarHBondContact N-O 3.26Å; H6-V132 HydrophobicContact CB-CG2 3.77Å; H6-V132 PolarHBondContact N-O 3.19Å; H6-V132 PolarHBondContact O-N 3.15Å; E58-V132 HydrophobicContact CG-CG2 4.49Å
133V88.6Confident76.1Confident85 Ų8566 Ų6652%0.51538%0.377SS..  trans-113.4120171.7-174.70000108.9W2 T5W2-V133 HydrophobicContact CD2-CG2 4.22Å; W2-V133 HydrophobicContact CE3-CG2 3.21Å; W2-V133 HydrophobicContact CZ3-CG2 3.48Å; W2-V133 VanDerWaalsContact CZ3-CG2 3.48Å; T5-V133 HydrophobicContact CG2-CG1 4.17Å
134K85.2Confident73.6Confident95 Ų9573.9 Ų73.941%0.41341%0.407SS..  trans-96.4127.9169.4-81.6177.8170.61590112T5 E58 S137T5-K134 PolarHBondContact OG1-N 3.41Å; T5-K134 VanDerWaalsContact OG1-N 3.11Å; E58-K134 WeakPolarHBondContact OE1-CD 3.48Å; E58-K134 WeakPolarHBondContact OE1-CE 3.3Å; E58-K134 IonicContact OE1-NZ 2.71Å; E58-K134 PolarHBondContact OE1-NZ 2.89Å; E58-K134 WeakPolarHBondContact OE2-CE 3.45Å; E58-K134 IonicContact OE2-NZ 2.68Å; E58-K134 PolarHBondContact OE2-NZ 3.43Å; K134-S137 WeakPolarHBondContact O-CB 3.16Å; K134-S137 PolarHBondContact O-N 2.76Å
135S65.1Low71Confident120 Ų12077.7 Ų77.784%0.83943%0.429SS*.THydrogen-bonded Turntrans-51.2135.1167.8-56.70000110.6
136G60Low68.4Low51 Ų5187.5 Ų87.553%0.52647%0.472SS..THydrogen-bonded Turntrans103.4-21.3-174.200000114.2L138 T139G136-L138 PolarHBondContact O-N 2.89Å; G136-L138 VanDerWaalsContact O-N 3.13Å; G136-T139 PolarHBondContact O-N 2.83Å; G136-T139 PolarHBondContact O-OG1 2.86Å
137S50.6Low65.9Low50 Ų5093.8 Ų93.835%0.3550%0.5SS..THydrogen-bonded Turntrans-70.3-5.6176.2-165.80000114.7T5 K134T5-S137 WeakPolarHBondContact CG2-OG 3.43Å; K134-S137 WeakPolarHBondContact O-CB 3.16Å; K134-S137 PolarHBondContact O-N 2.76Å
138L49.1Very low63.4Low142 Ų142103.8 Ų103.874%0.74354%0.544SS*.THydrogen-bonded Turntrans-87.4-16.8-178-159.972.9000113G136 L141G136-L138 PolarHBondContact O-N 2.89Å; G136-L138 VanDerWaalsContact O-N 3.13Å; L138-L141 HydrophobicContact CD1-CD1 4.43Å
139T49.8Very low60.9Low103 Ų103104.5 Ų104.563%0.63256%0.56SS**G310 helixtrans-80.1-17.5-170.354.20000114.2G136 L141 S142G136-T139 PolarHBondContact O-N 2.83Å; G136-T139 PolarHBondContact O-OG1 2.86Å; T139-L141 PolarHBondContact O-N 2.85Å; T139-S142 WeakPolarHBondContact O-CB 3.42Å; T139-S142 PolarHBondContact O-N 3.34Å; T139-S142 PolarHBondContact O-OG 2.84Å
140D47.7Very low58.6Low91 Ų91109.3 Ų109.349%0.48760%0.595SS.*G310 helixtrans-81.23.2-178.2-143.623.3000115S142 K143D140-S142 PolarHBondContact O-N 2.94Å; D140-K143 IonicContact OD1-NZ 3.28Å; D140-K143 PolarHBondContact OD1-NZ 3.08Å; D140-K143 IonicContact OD2-NZ 3.34Å; D140-K143 PolarHBondContact OD2-NZ 2.79Å
141L47Very low56.6Low140 Ų140116.9 Ų116.973%0.73363%0.633SS**G310 helixtrans-70.7-5.3163-67.3170.1000112.8L138 T139 K143L138-L141 HydrophobicContact CD1-CD1 4.43Å; T139-L141 PolarHBondContact O-N 2.85Å; L141-K143 VanDerWaalsContact C-N 3.33Å
142S46.3Very low54.1Low96 Ų96118.6 Ų118.667%0.67166%0.658SS**G310 helixtrans-73.2-19.117656.20000114.1T139 D140 K144T139-S142 WeakPolarHBondContact O-CB 3.42Å; T139-S142 PolarHBondContact O-N 3.34Å; T139-S142 PolarHBondContact O-OG 2.84Å; D140-S142 PolarHBondContact O-N 2.94Å; S142-K144 PolarHBondContact O-N 2.87Å
143K50.8Low52.2Low157 Ų157126 Ų12668%0.68369%0.69SS**  trans-79.245.9175.1-61.5-162.2-171.682.50113.2D140 L141D140-K143 IonicContact OD1-NZ 3.28Å; D140-K143 PolarHBondContact OD1-NZ 3.08Å; D140-K143 IonicContact OD2-NZ 3.34Å; D140-K143 PolarHBondContact OD2-NZ 2.79Å; L141-K143 VanDerWaalsContact C-N 3.33Å
144K44.3Very low50.3Low180 Ų180130.1 Ų130.178%0.78371%0.708SS**  trans-70.2143176.8-171.9170.2-1781760111.7S142 K146S142-K144 PolarHBondContact O-N 2.87Å; K144-K146 PolarHBondContact O-N 2.86Å
145D41.9Very low48.2Very low121 Ų121130.3 Ų130.365%0.64773%0.727SS**  trans-53.9126.8-169.3-57.9-97.3000115.5H147D145-H147 VanDerWaalsContact C-N 3.35Å; D145-H147 PolarHBondContact O-N 2.95Å
146K45.6Very low47.3Very low206 Ų206130.1 Ų130.190%0.89673%0.726SS**  trans-83.883.3153.5-76.5-173.9176.91780109K144 K148K144-K146 PolarHBondContact O-N 2.86Å; K146-K148 PolarHBondContact O-N 2.66Å; K146-K148 VanDerWaalsContact O-N 3.11Å
147H44.5Very low46.4Very low150 Ų150133.6 Ų133.669%0.69474%0.742SS**  trans-50.8117.2170.8-71.6-96.6000110.7D145D145-H147 VanDerWaalsContact C-N 3.35Å; D145-H147 PolarHBondContact O-N 2.95Å
148K45.5Very low46.2Very low211 Ų211137.5 Ų137.592%0.91776%0.763SS**  trans-108.762.6156-81-165.2171.9-171.30109K146 S150K146-K148 PolarHBondContact O-N 2.66Å; K146-K148 VanDerWaalsContact O-N 3.11Å; K148-S150 PolarHBondContact O-N 3.38Å
149S44.9Very low45.6Very low87 Ų87134 Ų13461%0.60876%0.762SS**  trans-65.1125.1169.547.70000110.1I151S149-I151 PolarHBondContact O-N 2.67Å
150S48.5Very low45.1Very low122 Ų122133.1 Ų133.185%0.85377%0.773SS**  trans1.2108.2155.154.40000116.7K148K148-S150 PolarHBondContact O-N 3.38Å
151I50.3Low44.7Very low172 Ų172134.4 Ų134.488%0.88279%0.789SS**  trans-137132.6164-168.4169.4000109.3S149S149-I151 PolarHBondContact O-N 2.67Å
152G40.6Very low44.5Very low64 Ų64135.2 Ų135.266%0.6679%0.793SS**  trans87.160.9169.800000117.5L154G152-L154 VanDerWaalsContact C-N 3.31Å; G152-L154 PolarHBondContact O-N 3.47Å
153Q50.5Low44.4Very low203 Ų203137.6 Ų137.695%0.94980%0.798SS**  trans-77.891.6136.6-84.1-166.5-74.800107.8
154L47.7Very low43.5Very low171 Ų171134.5 Ų134.590%0.89580%0.796SS**  trans-136.8147.3163.3-74.6179.3000108.7G152G152-L154 VanDerWaalsContact C-N 3.31Å; G152-L154 PolarHBondContact O-N 3.47Å
155A41.4Very low43.5Very low100 Ų100133.9 Ų133.983%0.82680%0.8SS**  trans-98.6150.1-160.500000114.1
156S46.8Very low43.1Very low115 Ų115131.4 Ų131.480%0.80480%0.803SS**  trans-16098.5143.850.80000111.8V158S156-V158 PolarHBondContact O-N 3.13Å
157S41.1Very low42.7Very low124 Ų124129.8 Ų129.887%0.86780%0.804SS**  trans-88.173.9168.857.40000110.9
158V46.8Very low42.5Very low132 Ų132125.7 Ų125.780%0.880%0.802SS**  trans-150139.8169.4163.30000106.2S156S156-V158 PolarHBondContact O-N 3.13Å
159G34.6Very low42.2Very low70 Ų70123 Ų12372%0.72279%0.793SS**  cis125.1105.55.700000110.8
160G39.7Very low42.3Very low83 Ų83126.7 Ų126.786%0.85680%0.798SS**  trans97.3131.4173.800000115.6
161S39.4Very low42.3Very low118 Ų118132.2 Ų132.283%0.82580%0.8SS**  trans-82.1136.9166.3-50.80000110.2
162L44.1Very low42.3Very low157 Ų157136.1 Ų136.182%0.82280%0.804SS**  trans-157.6100.6166.7-126.4174.4000107.5
163L43.7Very low42.2Very low146 Ų146136.7 Ų136.776%0.76481%0.81SS**  83.9114.588.3-79.7-179.5000115.2
164S31.9Very low42.4Very low93 Ų93135.5 Ų135.565%0.6581%0.808SS**  trans71141.7137.7-64.90000122.5
165I43.6Very low42.4Very low166 Ų166136.8 Ų136.885%0.85181%0.807SS**  trans60.6113.6149.7-60.6158.9000115.7
166G33.6Very low42.4Very low69 Ų69141.1 Ų141.171%0.71181%0.807SS**  cis99.9108.14.800000113.1
167N36.6Very low42.5Very low173 Ų173144.3 Ų144.393%0.92581%0.814SS**  trans-158.4134.3169.6-145.518.8000113.1
168G41.5Very low42.4Very low64 Ų64143.1 Ų143.166%0.6681%0.812SS**  trans73.1139.3166.600000119.2
169E38.6Very low41.7Very low154 Ų154140.6 Ų140.672%0.7281%0.812SS**  cis-163.1162.9-26.6-131.5179.4104.600112.7
170K48.4Very low41.7Very low165 Ų165142.2 Ų142.272%0.71781%0.812SS**  trans59.476.2154-73.6160173.4142.50121.3
171R48.1Very low41.9Very low237 Ų237145.7 Ų145.789%0.89481%0.81SS**  66.5155.4121.7-68.2177.6174.4-172.6-1.4122.1
172R49.3Very low41.5Very low254 Ų254145.1 Ų145.196%0.95881%0.807SS**  trans79.6123.8170.6-49.9-179.7-174.3-172.22.3114.8
173G38.4Very low41.5Very low77 Ų77143.3 Ų143.379%0.79481%0.807SS**  cis158.8109.2-14.700000114.5
174I55.4Low41.3Very low177 Ų177145.8 Ų145.891%0.90881%0.812SS**  trans-136.1139163.736.3175.3000109.3
175K48.1Very low41.6Very low198 Ų198149 Ų14986%0.86182%0.82SS**  trans-137.2136.6-177-84.3-172.7175.2-178.30110
176K41.1Very low41.3Very low192 Ų192149 Ų14984%0.83582%0.817SS**  trans63.7119.1167.2-55.7175.7178.2-174.60116.6
177L48.1Very low41.5Very low182 Ų182152.2 Ų152.295%0.95382%0.816SS**  -130.1160.996.2-79.6-178.4000108.5
178A38.8Very low41.2Very low99 Ų99155.5 Ų155.582%0.81882%0.816SS**  trans-155.3151.4-175.300000111.4
179G33.5Very low40.8Very low78 Ų78158.5 Ų158.580%0.80483%0.826SS**  trans81.6159-174.900000113.2
180S34.9Very low40.6Very low105 Ų105160.6 Ų160.673%0.73483%0.833SS**  cis-1611750.3-164.80000111.8
181L43.5Very low40Very low155 Ų155161.2 Ų161.281%0.81284%0.836SS**  trans83.5125.9168.5-48.2-179.8000116.6
182S31.2Very low39.2Very low107 Ų107157.6 Ų157.675%0.74883%0.826SS**  cis105.382.74.4-51.30000118.3
183S43.3Very low38.3Very low119 Ų119149.8 Ų149.883%0.83280%0.804SS**  trans-175.3134.9149.242.60000108.7
184K39.8Very low38Very low198 Ų198152.5 Ų152.586%0.86180%0.796SS**  cis101.8142.97-153.2176.4-173.3-177.90115.4
185L37.9Very low36.8Very low159 Ų159151.7 Ų151.783%0.83279%0.788SS**  trans85125.8-170.6-53.5171.2000113.3
186H36.8Very low36Very low166 Ų166147 Ų14777%0.76979%0.786SS**  cis87.593.517.1-75.2-116.8000119.6
187I37.4Very low35.6Very low138 Ų138141.1 Ų141.171%0.70878%0.78SS**  63.9126.2116.9-72.7175.5000121.5
188R31.5Very low35.1Very low242 Ų242137 Ų13791%0.91377%0.772SS**  trans62.2129155-84.2176.3172.9-174.8-0120.8
189S33.2Very low35Very low126 Ų126139.6 Ų139.688%0.88177%0.773SS**  -152.6-168113.974.10000110.6
190K34.7Very low35.2Very low199 Ų199142.6 Ų142.687%0.86577%0.77SS**  trans-156.9150.2-159.3-170-173.7178.7175.20113.2
191K34.5Very low35.4Very low177 Ų177142.2 Ų142.277%0.7777%0.767SS**  trans100.2137.5144.8-151.2-175.7-177-176.70119.7
192K31.6Very low35.3Very low161 Ų161140.1 Ų140.170%0.777%0.766SS**  trans72.6154.7157.3-97.4-166.9165.4-125.70117.1
193N31.1Very low35.5Very low91 Ų91140.7 Ų140.749%0.48777%0.77SS.*  cis-158.4148.88.5-145.917.7000112.5
194Q32.6Very low35Very low133 Ų133145.1 Ų145.162%0.62177%0.774SS**  trans57.1162.4148.1-67.4178.8-66.500119.9
195E28.8Very low34.7Very low160 Ų160138.6 Ų138.675%0.74876%0.764SS**  cis-173.2167.7-21.1-102.7159.9-16800106.7
196A32.2Very low34.5Very low99 Ų99135 Ų13582%0.81876%0.764SS**  cis-163.2179.4-10.400000109.8
197G31.3Very low34.4Very low69 Ų69132.4 Ų132.471%0.71177%0.766SS**  trans114.2123177.900000112.2
198A37.8Very low34Very low95 Ų95135.1 Ų135.179%0.78577%0.773SS**  cis82.1134.235.600000113.4
199D37.3Very low34.2Very low155 Ų155127.6 Ų127.683%0.82976%0.762SS**  cis-169172.3-11.459.982.5000108.4
200D38.4Very low34.3Very low140 Ų140126.6 Ų126.675%0.74976%0.755SS**  cis-154.3179.5-5.2-172.535.2000110.8
201S37.7Very low34.4Very low97 Ų97125.3 Ų125.368%0.67876%0.756SS**  trans82.2145.1152.283.80000119.1
202S41.3Very low34.3Very low111 Ų111119.6 Ų119.678%0.77675%0.748SS**  cis-155.5152.9-15.147.60000114.7
203S35.4Very low34.6Very low119 Ų119119.1 Ų119.183%0.83276%0.759SS**  trans2.8117.9161.7-53.50000123.9
204F34.5Very low36.1Very low212 Ų212120.2 Ų120.293%0.9377%0.771SS**  -175.1143.9118.8-149.8-97.7000108.6
205G32.9Very low36Very low62 Ų62121.7 Ų121.764%0.63978%0.783SS**  cis151.998-5.800000111
206G33.4Very low36.2Very low82 Ų82118.3 Ų118.385%0.84578%0.777SS**  trans166.2129.9176.700000117.2
207S33.8Very low36.5Very low113 Ų113118.1 Ų118.179%0.7977%0.77SS**  trans-140.2153.8-173.3-77.70000110.2
208F30.9Very low36.5Very low195 Ų195122.7 Ų122.786%0.85578%0.778SS**  cis-169.4-155-8.457.6-177.6000109.1
209A35.8Very low36.2Very low84 Ų84121.6 Ų121.669%0.69478%0.776SS**  trans73.5128.9179.100000115.1
210S34.5Very low35.8Very low104 Ų104126.8 Ų126.873%0.72778%0.784SS**  cis89.1141.815.6-156.80000117
211L36Very low35.5Very low172 Ų172123.8 Ų123.890%0.90179%0.786SS**  trans69.4145.8-178.9-55.9117.8000116.9
212G32.6Very low35.4Very low58 Ų58127.3 Ų127.360%0.59879%0.792SS**  cis154.999.9-13.300000116.7
213T37.5Very low35.3Very low150 Ų150129.6 Ų129.692%0.9280%0.795SS**  trans65.9161.1158.346.10000119.7
214P62.4Low35.2Very low115 Ų115127.7 Ų127.775%0.74779%0.794SS**  trans-124.5168.9-153.743.3-31000117.3
215N31Very low35.1Very low164 Ų164120.7 Ų120.788%0.87778%0.782SS**  trans-173.2173.5156.4-109.6-12.3000108.4
216S34.1Very low35.2Very low89 Ų89124.2 Ų124.262%0.62280%0.797SS**  cis174.8139.3-41.2173.90000109.1
217S36.9Very low35.3Very low95 Ų95124 Ų12466%0.66480%0.795SS**  trans68.8149.7161.878.70000120.9
218N33.1Very low35.4Very low165 Ų165129.6 Ų129.688%0.88280%0.799SS**  trans55.4133157.8-57.8-17.2000119.9
219G29.9Very low35.8Very low71 Ų71131.4 Ų131.473%0.73280%0.8SS**  cis147158.3-300000113.3
220R30.3Very low35.9Very low264 Ų264138.8 Ų138.8100%0.99681%0.81SS**  trans76.2149.1174.7-59.7178.8167.3-179.6-4.1118.4
221G31.3Very low35.8Very low77 Ų77137.8 Ų137.879%0.79482%0.816SS**  trans101.5130.1170.800000114.2
222Q35.7Very low35.9Very low172 Ų172133 Ų13380%0.80481%0.808SS**  cis174.6153.6-32.4170.8170.332.800105.5
223N38.9Very low36.4Very low158 Ų158138.2 Ų138.285%0.84582%0.817SS**  trans70.6145.1-169.6-47.5-35.7000113
224G33.5Very low36.8Very low79 Ų79142.3 Ų142.381%0.81482%0.815SS**  cis132.8129.1-100000110.5
225G33.2Very low35.6Very low66 Ų66142.1 Ų142.168%0.6882%0.824SS**  cis178.9-166.7-3.800000111.5
226S35.5Very low36.9Very low135 Ų135138.1 Ų138.194%0.94482%0.821SS**  trans73.4148.6179850000117.7
227G35.3Very low37.1Very low78 Ų78142.5 Ų142.580%0.80483%0.832SS**  trans140.6127.8-174.100000110.9
228R36.1Very low37.5Very low230 Ų230142.5 Ų142.587%0.86884%0.838SS**  trans-128.3127.4-167.2-78.1178.8169.6178.9-2.4113.7
229R37.7Very low37.9Very low233 Ų233142.3 Ų142.388%0.87984%0.837SS**  trans64.5163.7148-64.6176.6174.8-168.2-2117.2
230R37.9Very low38.8Very low239 Ų239144.1 Ų144.190%0.90284%0.835SS**  cis-171120.6-33.6177.2-173.5-172.1-165.34.2108.4
231G32.6Very low39.3Very low83 Ų83135.3 Ų135.386%0.85683%0.826SS**  trans79.9162.2172.100000114.6
232G38.9Very low39.7Very low72 Ų72138.2 Ų138.274%0.74283%0.829SS**  cis161.692.5-5.100000114.3
233Q41.8Very low39.9Very low167 Ų167138 Ų13878%0.7883%0.831SS**  trans-128.9127171.8-77.5148.7-19.100106.7
234R46Very low39.8Very low236 Ų236135 Ų13589%0.89182%0.822SS**  81.6129.963.2-77.9-172.7171.8-125.9-1.6112.3
235A37.9Very low40Very low112 Ų112139.2 Ų139.293%0.92682%0.821SS**SBendtrans-76.3139.3-178.500000111.5
236G57.8Low40.3Very low79 Ų79143.2 Ų143.281%0.81483%0.827SS**  trans156.8-26.9177.100000113.8
237E39.1Very low40.6Very low182 Ų182146.1 Ų146.185%0.8583%0.825SS**  trans-94.4102.9-175.4-69.7169.2-173.800111.1
238A44.1Very low41.3Very low95 Ų95149.7 Ų149.779%0.78583%0.826SS**  trans-119.2102.8167.100000108.1
239D41.8Very low41.5Very low161 Ų161146.5 Ų146.586%0.86182%0.821SS**PPolyproline II helixtrans-73.8135.9177.7-159.922.5000109.8
240P50.3Low41.5Very low109 Ų109144.3 Ų144.371%0.70882%0.818SS**PPolyproline II helixtrans-68.7144.3-172.7-20.534000113.3V242P240-V242 PolarHBondContact O-N 3Å
241G40.2Very low42Very low78 Ų78138.6 Ų138.680%0.80481%0.81SS**PPolyproline II helixtrans-64123.5-179.300000113.3I243G241-I243 PolarHBondContact O-N 2.91Å
242V40.3Very low42.1Very low139 Ų139143.7 Ų143.784%0.84281%0.808SS**PPolyproline II helixtrans-74.9116.1162.9177.10000108.6P240P240-V242 PolarHBondContact O-N 3Å
243I38.2Very low42.1Very low166 Ų166147.9 Ų147.985%0.85181%0.814SS**  trans-131.8125.8153.250.4174.8000108.7G241G241-I243 PolarHBondContact O-N 2.91Å
244S38Very low42Very low95 Ų95146.3 Ų146.366%0.66481%0.811SS**  trans-86.8-157.7163.248.70000109.3
245E36.8Very low41.7Very low168 Ų168142.9 Ų142.979%0.78581%0.809SS**  trans77.6122.5173.8-54.1172.7167.800113.6
246D39.5Very low41.6Very low150 Ų150142.4 Ų142.480%0.80280%0.799SS**  cis-146.9158.6-5.2-87.7-40.3000111.5
247E41.7Very low40.7Very low196 Ų196146.1 Ų146.192%0.91680%0.795SS**  trans-91.1133.9162.3-65.4-173.9118.400109.1
248D50.2Low40.4Very low153 Ų153145.7 Ų145.782%0.81879%0.79SS**  trans-142.1132.1167.6-140.7-16.2000111.2
249E39.9Very low39.8Very low163 Ų163146.2 Ų146.276%0.76279%0.789SS**  trans-108.7109.4-161.4-178.4177.3-149.300111.4V251E249-V251 HydrophobicContact CG-CG2 4.38Å
250F37.5Very low39.6Very low188 Ų188144.8 Ų144.883%0.82579%0.791SS**  trans-117.597.2173.9-87.8-87.9000112.6
251V48.4Very low38.8Very low119 Ų119143.3 Ų143.372%0.72180%0.796SS**  trans-75.4147.1169.5177.60000110.1E249E249-V251 HydrophobicContact CG-CG2 4.38Å
252F34.9Very low38.4Very low189 Ų189145.8 Ų145.883%0.82980%0.801SS**  trans-63.5147.5177.3-80.2-111.2000112.4
253D39.1Very low38.2Very low160 Ų160144.3 Ų144.386%0.85680%0.796SS**  trans-123145.1148.4-145-21.2000110.9
254N39.6Very low38.2Very low134 Ų134145 Ų14572%0.71780%0.801SS**  trans-101.7126.4-175.4-84.7-73.9000110.5
255L39.3Very low38Very low164 Ų164147.3 Ų147.386%0.85981%0.806SS**  trans-155.9120.4149.3-111.1149.7000112
256S36.5Very low38.2Very low102 Ų102147.2 Ų147.271%0.71381%0.809SS**  trans-93.9142.2175.670.90000110.7
257H39Very low38.1Very low157 Ų157148.3 Ų148.373%0.72781%0.809SS**  trans-153.8129.5152.2-95.8-25.7000114.6
258K33Very low37.8Very low173 Ų173150.5 Ų150.575%0.75281%0.809SS**  trans66.984142.1-63.1179.6-179.1177.20119.6
259S31.6Very low37.2Very low107 Ų107151.6 Ų151.675%0.74881%0.813SS**  52.8116.9112.9650000121.3
260S37.6Very low37Very low130 Ų130147 Ų14791%0.90981%0.809SS**  -154.4147.6126.8-770000108.5
261G33.5Very low36.9Very low79 Ų79146.8 Ų146.881%0.81482%0.816SS**  cis133.469.21.500000111.2
262S32Very low36.6Very low129 Ų129149.6 Ų149.690%0.90282%0.821SS**  trans-143.6141174.3-167.60000110.3
263S36.8Very low37.3Very low108 Ų108146.1 Ų146.176%0.75582%0.817SS**  trans-133.1140.7-166.751.20000111.5
264L38Very low38Very low181 Ų181144.1 Ų144.195%0.94881%0.813SS**  trans-123.7120.2163.6-76176.7000109.1
265N34Very low38.5Very low143 Ų143143.8 Ų143.877%0.76582%0.818SS**  trans-105.7115179.9172.422.6000108.4
266I40Very low38.6Very low166 Ų166143.2 Ų143.285%0.85182%0.822SS**  trans-125.9142.3166.8-78.6177.8000108.1
267Q38.1Very low38.4Very low173 Ų173142.1 Ų142.181%0.80883%0.826SS**  trans-83.1153.8-152.4-66.3159.7-22.200113.5
268R35.7Very low38.3Very low243 Ų243141.2 Ų141.292%0.91783%0.832SS**  trans-76.4133.4165.7-58.7-176.2-172.1-172.93.3109.8
269I37.5Very low39.3Very low175 Ų175137.8 Ų137.890%0.89783%0.827SS**  trans-118.5128.2142.6-62.2177.2000105.2
270G35.1Very low39.5Very low66 Ų66139.2 Ų139.268%0.6883%0.826SS**  trans-118.6153.2-178.200000111.7
271L36.4Very low39.3Very low185 Ų185141.7 Ų141.797%0.96982%0.821SS**  trans-150158.8158.4-105169.6000108.9
272Q40.5Very low39.4Very low178 Ų178143.6 Ų143.683%0.83282%0.817SS**  trans-114.4144.1-162-174.3175.9-3.500111.8
273P50.1Low40.1Very low115 Ų115142.4 Ų142.475%0.74781%0.806SS**  trans-92.9147.8-179.235.4-34.5000113.7
274P53.3Low39.8Very low119 Ų119148.8 Ų148.877%0.77381%0.814SS**  trans-97.4163.2162.136.7-31.5000112.8
275P50.3Low39.7Very low126 Ų126148.5 Ų148.582%0.81881%0.807SS**  trans-98.7-177.8-170.439.4-37.4000116
276V41.4Very low40.3Very low153 Ų153147.4 Ų147.493%0.92781%0.808SS**  trans-65.3153.8-175.5-71.50000116.7
277G32.9Very low40.3Very low78 Ų78144 Ų14480%0.80480%0.799SS**  trans-172.2118165.800000114.1
278T35.9Very low41.1Very low138 Ų138141 Ų14185%0.84779%0.794SS**  trans-116.6172.6167.856.10000108
279P54.5Low40.9Very low102 Ų102136.4 Ų136.466%0.66279%0.787SS**  cis-147-173.517.641.9-20.3000118.3
280N36.2Very low40.7Very low136 Ų136135.3 Ų135.373%0.72778%0.783SS**  trans104.5134.9131.4-93.3-4.1000124.6
281F33Very low40.5Very low183 Ų183137.8 Ų137.880%0.80378%0.78SS**  trans77.3144.6155.2-82.9-74.9000123.9
282T35.2Very low40.4Very low119 Ų119135.6 Ų135.673%0.7377%0.769SS**  trans-111.4-173.5-17456.40000108.7
283P46.7Very low39.9Very low103 Ų103130.6 Ų130.667%0.66977%0.765SS**  cis-150.8-169.614.346.8-26000118.9
284R31.8Very low39Very low242 Ų242131 Ų13191%0.91377%0.765SS**  trans84.9131151.9-75.8175.1-175.8-114.6-0121.7
285H34.8Very low38Very low175 Ų175131.2 Ų131.281%0.8177%0.77SS**  trans-68.9171.5158.6-84.2-92000111.9
286P46Very low37.1Very low121 Ų121128.2 Ų128.279%0.78676%0.762SS**  cis-139.7-178.424.642.7-23.5000118.2
287S39.9Very low36.6Very low95 Ų95128.5 Ų128.566%0.66476%0.764SS**  trans-79.3-170.7164.9-39.60000110.8
288P56.3Low36.5Very low108 Ų108127.8 Ų127.870%0.70176%0.756SS**  cis-144.6-164.47.228.4-0.1000116.7
289L29.9Very low36.2Very low147 Ų147127.4 Ų127.477%0.7776%0.759SS**  trans97.7145.8150.6-57.4-178.9000121.8
290L33.3Very low35Very low153 Ų153126.3 Ų126.380%0.80177%0.766SS**  trans70.5148.9152.7-72.9159.3000117.9
291N32.6Very low34.8Very low117 Ų117126 Ų12663%0.62677%0.774SS**  cis-160.3159.8-11-16824.6000111.9
292N33.9Very low34.9Very low140 Ų140121.8 Ų121.875%0.74977%0.774SS**  trans34.8145.4154.1-81.1-5.1000125
293G28.7Very low34.9Very low72 Ų72125.3 Ų125.374%0.74278%0.779SS**  trans157.273.3163.600000113.1
294V32.8Very low34.3Very low124 Ų124128.3 Ų128.375%0.75279%0.789SS**  73.2137.768.8168.10000115
295S31.8Very low34.6Very low123 Ų123125 Ų12586%0.8678%0.781SS**  trans75.4142.5179.475.50000116.6
296G30.4Very low34.5Very low63 Ų63128 Ų12865%0.64979%0.787SS**  cis-151.9145-800000110.5
297V31.9Very low34.1Very low160 Ų160128.1 Ų128.197%0.9778%0.782SS**  79.3125.386173.70000114.4
298G31.4Very low33.7Very low63 Ų63131 Ų13165%0.64979%0.789SS**  trans11683.3169.500000114.4
299S29.7Very low32.8Very low129 Ų129131.7 Ų131.790%0.90279%0.787SS**  79.9109.27075.30000115.4
300G29.5Very low33.1Very low79 Ų79132.5 Ų132.581%0.81479%0.792SS**  trans179.6136170.800000111.5
301S31.3Very low33.2Very low129 Ų129132.5 Ų132.590%0.90279%0.793SS**  trans-130.9123.5-162.2-58.80000114.7
302A33.9Very low33.4Very low95 Ų95132.9 Ų132.979%0.78581%0.805SS**  trans-180119.1149.300000106.9
303K35.1Very low33.4Very low194 Ų194133.3 Ų133.384%0.84381%0.807SS**  45.4106.574.4-81-171.9177.6176.40113.9
304D35.5Very low33.6Very low166 Ų166134.6 Ų134.689%0.88881%0.805SS**  -146.2167104.5-117.8-32.7000112
305K38.2Very low34.1Very low171 Ų171134.8 Ų134.874%0.74381%0.808SS**  trans-107.7151.5-177-62.7177175.9-177.70111.5
306Y33.2Very low34.5Very low238 Ų238133.9 Ų133.993%0.93380%0.802SS**  -153.6138.2127-103.2-72.5000110.2
307N35.9Very low34.9Very low125 Ų125137 Ų13767%0.66881%0.811SS**  trans-84.9154.1173.3-59.718.5000109.5
308N33Very low35.2Very low155 Ų155139.1 Ų139.183%0.82981%0.807SS**  -157.2138.9109-147.611.9000111.3
309D36.1Very low35.6Very low122 Ų122141.6 Ų141.665%0.65282%0.815SS**  trans-93.9157.3176.6-55-78.7000110.6
310N36.4Very low35.9Very low164 Ų164141.2 Ų141.288%0.87781%0.807SS**  trans-166.6122.4146-107.1-48.2000111.5
311D36.9Very low36.4Very low153 Ų153146.6 Ų146.682%0.81881%0.811SS**  trans-74.8153.3175.2-82.3-65.2000113.2
312S35.3Very low37.1Very low125 Ų125151 Ų15187%0.87481%0.808SS**  trans-157.8138.3149.2-80.90000109.7
313N33.5Very low37.9Very low150 Ų150153.9 Ų153.980%0.80281%0.808SS**  trans-103.8161.5-155.5-156-6.8000114.6
314S34.5Very low38.6Very low98 Ų98151.5 Ų151.569%0.68580%0.803SS**  trans-24.2162.6161.1-53.60000117.7
315P43.3Very low39.2Very low128 Ų128151.7 Ų151.783%0.83180%0.802SS**  cis-143.4-179.926.542.4-22.8000118
316S38.8Very low39.2Very low104 Ų104145.9 Ų145.973%0.72779%0.791SS**  trans-104.9147.7175.755.20000113.7
317P39.2Very low39.9Very low128 Ų128143.8 Ų143.883%0.83179%0.789SS**PPolyproline II helixtrans-88.2140.7164.734-31.2000111.3
318K39.5Very low40.5Very low206 Ų206145.6 Ų145.690%0.89679%0.794SS**PPolyproline II helixtrans-82.6127.7-178-59.7173.1-177.7176.80110.8
319S38.4Very low41.5Very low115 Ų115147.9 Ų147.980%0.80480%0.796SS**PPolyproline II helixtrans-80.3126.1170.154.60000111E321S319-E321 PolarHBondContact O-N 3.47Å
320T36.9Very low42.1Very low121 Ų121147.4 Ų147.474%0.74280%0.803SS**PPolyproline II helixtrans-57.2128.9174.946.90000111.9
321E40Very low43.1Very low191 Ų191141.9 Ų141.989%0.89379%0.785SS**PPolyproline II helixtrans-60.6134.3172.6-61.1178.9145.900110.8S319S319-E321 PolarHBondContact O-N 3.47Å
322R46.3Very low44.1Very low221 Ų221136.9 Ų136.983%0.83476%0.762SS**  trans-117.4119.9160.7-63.9-169.9-167.7-143.73.4107.3I324R322-I324 PolarHBondContact O-N 2.81Å
323I50.6Low45.2Very low156 Ų156138.8 Ų138.880%0.876%0.756SS**  trans-67.5114.9-178.2-56.6172.3000108.6I325I323-I325 HydrophobicContact CG2-CD1 4.47Å; I323-I325 HydrophobicContact CG2-CG1 3.94Å
324I49.1Very low46.7Very low145 Ų145134.8 Ų134.874%0.74474%0.744SS**  trans-105103170-60.6178.8000107.8R322 G326R322-I324 PolarHBondContact O-N 2.81Å; I324-G326 PolarHBondContact O-N 2.79Å; I324-G326 VanDerWaalsContact O-N 3.16Å
325I48.3Very low48Very low169 Ų169134.8 Ų134.887%0.86774%0.737SS**  trans-8288.6169.4-60.2173.9000107.1I323I323-I325 HydrophobicContact CG2-CD1 4.47Å; I323-I325 HydrophobicContact CG2-CG1 3.94Å
326G38.3Very low49Very low49 Ų49137 Ų13751%0.50573%0.728SS.*  trans-152.6113.817900000110.8I324 E328I324-G326 PolarHBondContact O-N 2.79Å; I324-G326 VanDerWaalsContact O-N 3.16Å; G326-E328 PolarHBondContact O-N 2.96Å
327H48.2Very low50.3Low194 Ų194141.3 Ų141.390%0.89873%0.729SS**  trans-88.683.3-179.6-174.286.7000110.5
328E49Very low51.7Low164 Ų164139 Ų13977%0.76672%0.715SS**  trans-113143.4170.663.7-176.1124.200111.6G326 S330G326-E328 PolarHBondContact O-N 2.96Å; E328-S330 PolarHBondContact O-N 2.87Å
329K53.9Low53.1Low202 Ų202134.9 Ų134.988%0.87870%0.7SS**  trans-74.593.3-176.6-80.4-175.1173.6-179.30111.2G331K329-G331 PolarHBondContact O-N 3.22Å
330S48.9Very low54.5Low113 Ų113134.6 Ų134.679%0.7969%0.688SS**  trans-69.789.5171.860.90000112E328E328-S330 PolarHBondContact O-N 2.87Å
331G56Low56.2Low48 Ų48132 Ų13250%0.49567%0.674SS.*  trans-58.4135.9149.900000108.4K329K329-G331 PolarHBondContact O-N 3.22Å
332S57.3Low58.1Low47 Ų47125.7 Ų125.733%0.32966%0.655SS.*  trans-70.2155.6-160.283.20000112.4A334 D335 R336S332-A334 PolarHBondContact O-N 3.42Å; S332-A334 PolarHBondContact OG-N 2.99Å; S332-D335 WeakPolarHBondContact CA-OD2 3.42Å; S332-D335 WeakPolarHBondContact CB-OD2 3.35Å; S332-D335 PolarHBondContact N-OD2 2.79Å; S332-D335 PolarHBondContact O-N 2.67Å; S332-D335 PolarHBondContact OG-N 2.84Å; S332-D335 VanDerWaalsContact OG-N 3.14Å; S332-D335 PolarHBondContact OG-OD2 2.8Å; S332-R336 PolarHBondContact O-N 2.83Å
333H59.3Low59.5Low165 Ų165121 Ų12176%0.76464%0.643SS**Hα-helixtrans-65.2-18.6174.2-159.3-44.5000111.9R337H333-R337 VanDerWaalsContact O-CB 3.32Å; H333-R337 WeakPolarHBondContact O-CB 3.39Å; H333-R337 PolarHBondContact O-N 2.95Å
334A64.2Low60.8Low66 Ų66118.2 Ų118.255%0.54563%0.629SS.*Hα-helixtrans-74.4-43.9172.200000111.6S332 R336 R337 S338S332-A334 PolarHBondContact O-N 3.42Å; S332-A334 PolarHBondContact OG-N 2.99Å; A334-R336 PolarHBondContact O-N 2.92Å; A334-R337 PolarHBondContact O-N 3.28Å; A334-R337 VanDerWaalsContact O-N 3.13Å; A334-S338 PolarHBondContact O-N 2.76Å
335D63.1Low62.2Low99 Ų99114.3 Ų114.353%0.52962%0.618SS.*Hα-helixtrans-59.4-50.4-178.8-55.4-48.3000111.2S332 R337 S338 E339S332-D335 WeakPolarHBondContact CA-OD2 3.42Å; S332-D335 WeakPolarHBondContact CB-OD2 3.35Å; S332-D335 PolarHBondContact N-OD2 2.79Å; S332-D335 PolarHBondContact O-N 2.67Å; S332-D335 PolarHBondContact OG-N 2.84Å; S332-D335 VanDerWaalsContact OG-N 3.14Å; S332-D335 PolarHBondContact OG-OD2 2.8Å; D335-R337 VanDerWaalsContact C-N 3.27Å; D335-R337 PolarHBondContact O-N 3.28Å; D335-S338 WeakPolarHBondContact O-CB 3.29Å; D335-S338 PolarHBondContact O-N 2.87Å; D335-E339 PolarHBondContact O-N 3.01Å
336R62.7Low63.8Low175 Ų175114.2 Ų114.266%0.6661%0.612SS**Hα-helixtrans-60.2-36.4176.6-64.8-173.2-178-134.24.4112.5S332 A334 I340S332-R336 PolarHBondContact O-N 2.83Å; A334-R336 PolarHBondContact O-N 2.92Å; R336-I340 WeakPolarHBondContact O-CB 3.44Å; R336-I340 WeakPolarHBondContact O-CD1 3.32Å; R336-I340 WeakPolarHBondContact O-CG1 3.4Å; R336-I340 PolarHBondContact O-N 2.99Å; R336-I340 VanDerWaalsContact O-N 3.08Å
337R66.9Low65.9Low193 Ų193117.5 Ų117.573%0.72861%0.612SS**Hα-helixtrans-71.6-36.8178.5-173.8176.7178.6-174.1-1.3111.7H333 A334 D335 S341H333-R337 VanDerWaalsContact O-CB 3.32Å; H333-R337 WeakPolarHBondContact O-CB 3.39Å; H333-R337 PolarHBondContact O-N 2.95Å; A334-R337 PolarHBondContact O-N 3.28Å; A334-R337 VanDerWaalsContact O-N 3.13Å; D335-R337 VanDerWaalsContact C-N 3.27Å; D335-R337 PolarHBondContact O-N 3.28Å; R337-S341 WeakPolarHBondContact O-CB 3.28Å; R337-S341 PolarHBondContact O-N 3.39Å
338S68.9Low67.7Low79 Ų79111 Ų11155%0.55258%0.58SS**Hα-helixtrans-63.1-50.3173.1-171.70000111A334 D335 I340 S341 A342A334-S338 PolarHBondContact O-N 2.76Å; D335-S338 WeakPolarHBondContact O-CB 3.29Å; D335-S338 PolarHBondContact O-N 2.87Å; S338-I340 PolarHBondContact O-N 3.15Å; S338-S341 PolarHBondContact O-N 3.42Å; S338-S341 PolarHBondContact O-OG 2.68Å; S338-A342 PolarHBondContact O-N 3.07Å
339E69.4Low69.5Low121 Ų121110.3 Ų110.357%0.56558%0.577SS**Hα-helixtrans-59.3-45.6178.9-172.3177.3-165.900112.2D335 S341 A342 Q343D335-E339 PolarHBondContact O-N 3.01Å; E339-S341 VanDerWaalsContact C-N 3.31Å; E339-S341 PolarHBondContact O-N 2.77Å; E339-A342 PolarHBondContact O-N 3.11Å; E339-Q343 WeakPolarHBondContact O-CG 3.48Å; E339-Q343 PolarHBondContact O-N 2.83Å
340I67.6Low71.1Confident108 Ų108104.7 Ų104.755%0.55458%0.577SS**Hα-helixtrans-58.8-42.2173.6-70.1164.9000111.1R336 S338 A342 Q343 L344R336-I340 WeakPolarHBondContact O-CB 3.44Å; R336-I340 WeakPolarHBondContact O-CD1 3.32Å; R336-I340 WeakPolarHBondContact O-CG1 3.4Å; R336-I340 PolarHBondContact O-N 2.99Å; R336-I340 VanDerWaalsContact O-N 3.08Å; S338-I340 PolarHBondContact O-N 3.15Å; I340-A342 PolarHBondContact O-N 2.86Å; I340-Q343 PolarHBondContact O-N 2.76Å; I340-L344 VanDerWaalsContact O-CB 3.28Å; I340-L344 WeakPolarHBondContact O-CB 3.33Å; I340-L344 PolarHBondContact O-N 3.44Å
341S73Confident73Confident66 Ų66103.2 Ų103.246%0.46256%0.556SS.*Hα-helixtrans-66-37179.775.70000113.1R337 S338 E339 L344 A345R337-S341 WeakPolarHBondContact O-CB 3.28Å; R337-S341 PolarHBondContact O-N 3.39Å; S338-S341 PolarHBondContact O-N 3.42Å; S338-S341 PolarHBondContact O-OG 2.68Å; E339-S341 VanDerWaalsContact C-N 3.31Å; E339-S341 PolarHBondContact O-N 2.77Å; S341-L344 PolarHBondContact O-N 2.83Å; S341-A345 WeakPolarHBondContact O-CB 3.11Å; S341-A345 PolarHBondContact O-N 3.48Å
342A78.2Confident74.7Confident60 Ų60103.3 Ų103.350%0.49655%0.549SS..Hα-helixtrans-69.3-41.9176.100000112.1S338 E339 I340 L344 A345 K346S338-A342 PolarHBondContact O-N 3.07Å; E339-A342 PolarHBondContact O-N 3.11Å; I340-A342 PolarHBondContact O-N 2.86Å; A342-L344 VanDerWaalsContact C-N 3.32Å; A342-L344 PolarHBondContact O-N 2.87Å; A342-A345 PolarHBondContact O-N 2.95Å; A342-K346 PolarHBondContact O-N 2.79Å; A342-K346 VanDerWaalsContact O-N 3.09Å
343Q76.4Confident76.3Confident122 Ų122111.9 Ų111.957%0.5757%0.574SS**Hα-helixtrans-63.5-39173.4-68.2179.318.300111.7E339 I340 K347E339-Q343 WeakPolarHBondContact O-CG 3.48Å; E339-Q343 PolarHBondContact O-N 2.83Å; I340-Q343 PolarHBondContact O-N 2.76Å; Q343-K347 PolarHBondContact O-N 2.83Å; Q343-K347 VanDerWaalsContact O-N 3.13Å
344L78.1Confident77.9Confident97 Ų97110.8 Ų110.851%0.50857%0.569SS.*Hα-helixtrans-66.3-45.8177.4-164.375000111.6I340 S341 A342 K346 K347 Y348I340-L344 VanDerWaalsContact O-CB 3.28Å; I340-L344 WeakPolarHBondContact O-CB 3.33Å; I340-L344 PolarHBondContact O-N 3.44Å; S341-L344 PolarHBondContact O-N 2.83Å; A342-L344 VanDerWaalsContact C-N 3.32Å; A342-L344 PolarHBondContact O-N 2.87Å; L344-K346 PolarHBondContact O-N 3.49Å; L344-K347 WeakPolarHBondContact O-CB 3.08Å; L344-K347 PolarHBondContact O-N 3.18Å; L344-Y348 HydrophobicContact CD1-CD2 4.19Å; L344-Y348 HydrophobicContact CD1-CE2 3.7Å; L344-Y348 HydrophobicContact CG-CD2 4.18Å; L344-Y348 HydrophobicContact CG-CE2 4.19Å; L344-Y348 VanDerWaalsContact O-CD2 3.28Å; L344-Y348 WeakPolarHBondContact O-CD2 3.22Å; L344-Y348 PolarHBondContact O-N 3.39Å
345A77.9Confident79.1Confident63 Ų63112.2 Ų112.252%0.52157%0.565SS.*Hα-helixtrans-55.5-53.1175.300000110.7S341 A342 K347 Y348 E349S341-A345 WeakPolarHBondContact O-CB 3.11Å; S341-A345 PolarHBondContact O-N 3.48Å; A342-A345 PolarHBondContact O-N 2.95Å; A345-K347 PolarHBondContact O-N 2.82Å; A345-K347 VanDerWaalsContact O-N 3.16Å; A345-Y348 CarbonylContact O-C 3.57Å; A345-Y348 PolarHBondContact O-N 2.81Å; A345-E349 WeakPolarHBondContact O-CB 3.04Å; A345-E349 PolarHBondContact O-N 3.02Å
346K82.9Confident80.4Confident167 Ų167110.7 Ų110.773%0.72656%0.556SS**Hα-helixtrans-61.4-24.4179-170.5172.1-178.2175.50114.4A342 L344A342-K346 PolarHBondContact O-N 2.79Å; A342-K346 VanDerWaalsContact O-N 3.09Å; L344-K346 PolarHBondContact O-N 3.49Å
347K81.8Confident81.8Confident119 Ų119108.6 Ų108.652%0.51756%0.556SS.*Hα-helixtrans-75.8-23.6176-168.3-170.7175.6-1560113Q343 L344 A345 K351Q343-K347 PolarHBondContact O-N 2.83Å; Q343-K347 VanDerWaalsContact O-N 3.13Å; L344-K347 WeakPolarHBondContact O-CB 3.08Å; L344-K347 PolarHBondContact O-N 3.18Å; A345-K347 PolarHBondContact O-N 2.82Å; A345-K347 VanDerWaalsContact O-N 3.16Å; K347-K351 PolarHBondContact O-NZ 3.1Å
348Y85.3Confident82.9Confident57 Ų57105.4 Ų105.422%0.22455%0.552CS.*Hα-helixtrans-122.2-3.9-173.1-63.3-61.8000114.2L344 A345 K351 L356 I359L344-Y348 HydrophobicContact CD1-CD2 4.19Å; L344-Y348 HydrophobicContact CD1-CE2 3.7Å; L344-Y348 HydrophobicContact CG-CD2 4.18Å; L344-Y348 HydrophobicContact CG-CE2 4.19Å; L344-Y348 VanDerWaalsContact O-CD2 3.28Å; L344-Y348 WeakPolarHBondContact O-CD2 3.22Å; L344-Y348 PolarHBondContact O-N 3.39Å; A345-Y348 CarbonylContact O-C 3.57Å; A345-Y348 PolarHBondContact O-N 2.81Å; Y348-K351 HydrophobicContact CD1-CD 4.21Å; Y348-K351 PolarHBondContact O-N 3.36Å; Y348-L356 HydrophobicContact CD1-CD2 3.5Å; Y348-L356 VanDerWaalsContact CD1-CD2 3.5Å; Y348-L356 HydrophobicContact CE1-CD2 4.38Å; Y348-L356 HydrophobicContact CG-CD2 3.94Å; Y348-I359 HydrophobicContact CE1-CD1 4.48Å; Y348-I359 HydrophobicContact CE1-CG2 4.23Å
349E87.6Confident83.9Confident149 Ų149104.4 Ų104.470%0.69654%0.54SS*.THydrogen-bonded Turntrans-51.1139.9168.1-174.3170.4-158.100111.8A345 K351A345-E349 WeakPolarHBondContact O-CB 3.04Å; A345-E349 PolarHBondContact O-N 3.02Å; E349-K351 PolarHBondContact O-N 3.15Å; E349-K351 VanDerWaalsContact O-N 3.15Å
350G86.5Confident84.9Confident85 Ų85101.4 Ų101.488%0.87654%0.536SS*.THydrogen-bonded Turntrans73.8-9.4179.700000116.5
351K89.9Confident86Confident82 Ų82100 Ų10036%0.35753%0.529SS..  trans-80.6145.4-178.4-69.4178.4-178.4157.20113.2K347 Y348 E349 E355 L356 I359K347-K351 PolarHBondContact O-NZ 3.1Å; Y348-K351 HydrophobicContact CD1-CD 4.21Å; Y348-K351 PolarHBondContact O-N 3.36Å; E349-K351 PolarHBondContact O-N 3.15Å; E349-K351 VanDerWaalsContact O-N 3.15Å; K351-E355 VanDerWaalsContact CA-OE2 3.23Å; K351-E355 WeakPolarHBondContact CA-OE2 3.37Å; K351-E355 HydrophobicContact CB-CB 4.36Å; K351-E355 WeakPolarHBondContact CB-OE2 3.21Å; K351-L356 HydrophobicContact CB-CD2 3.95Å; K351-L356 HydrophobicContact CB-CG 4.15Å; K351-L356 HydrophobicContact CD-CD2 4.16Å; K351-I359 HydrophobicContact CD-CD1 3.88Å
352S92.4Very high87Confident50 Ų5098.7 Ų98.735%0.3553%0.526SS..  trans-72.2157175.21000000111.5E354 E355 L356S352-E354 PolarHBondContact O-N 3.13Å; S352-E354 PolarHBondContact OG-N 3.43Å; S352-E354 VanDerWaalsContact OG-N 3.15Å; S352-E355 PolarHBondContact N-OE2 3.07Å; S352-E355 PolarHBondContact O-N 3.07Å; S352-E355 PolarHBondContact OG-N 2.86Å; S352-E355 VanDerWaalsContact OG-N 3.1Å; S352-L356 WeakPolarHBondContact O-CG 3.49Å; S352-L356 PolarHBondContact O-N 3.2Å
353R91Very high87.7Confident226 Ų226100.8 Ų100.885%0.85353%0.527SS*.Hα-helixtrans-56-32.3173.5179.4176.1174-116.8-0.8112.3M357R353-M357 PolarHBondContact O-N 2.95Å
354E91.6Very high88.5Confident143 Ų143100.5 Ų100.567%0.66853%0.526SS*.Hα-helixtrans-76.5-41.5-179.6-64166.6-171.300111.1S352 L356 M357 L358S352-E354 PolarHBondContact O-N 3.13Å; S352-E354 PolarHBondContact OG-N 3.43Å; S352-E354 VanDerWaalsContact OG-N 3.15Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.09Å; E354-M357 PolarHBondContact O-N 3.2Å; E354-L358 WeakPolarHBondContact O-CG 3.5Å; E354-L358 PolarHBondContact O-N 2.75Å
355E88.9Confident89.2Confident95 Ų9599.4 Ų99.444%0.44452%0.52SS..Hα-helixtrans-62.1-41173.2-67.5175.9146.300111.8K351 S352 M357 L358 I359K351-E355 VanDerWaalsContact CA-OE2 3.23Å; K351-E355 WeakPolarHBondContact CA-OE2 3.37Å; K351-E355 HydrophobicContact CB-CB 4.36Å; K351-E355 WeakPolarHBondContact CB-OE2 3.21Å; S352-E355 PolarHBondContact N-OE2 3.07Å; S352-E355 PolarHBondContact O-N 3.07Å; S352-E355 PolarHBondContact OG-N 2.86Å; S352-E355 VanDerWaalsContact OG-N 3.1Å; E355-M357 VanDerWaalsContact C-N 3.32Å; E355-M357 PolarHBondContact O-N 3.43Å; E355-L358 PolarHBondContact O-N 2.67Å; E355-I359 WeakPolarHBondContact O-CD1 3.47Å; E355-I359 VanDerWaalsContact O-CG1 3.25Å; E355-I359 WeakPolarHBondContact O-CG1 3.24Å; E355-I359 PolarHBondContact O-N 3.44Å
356L91.3Very high90Very high68 Ų68101.6 Ų101.636%0.35652%0.52SS..Hα-helixtrans-63.1-38.5174.8-65.7177000111.9Y348 K351 S352 E354 I359 A360Y348-L356 HydrophobicContact CD1-CD2 3.5Å; Y348-L356 VanDerWaalsContact CD1-CD2 3.5Å; Y348-L356 HydrophobicContact CE1-CD2 4.38Å; Y348-L356 HydrophobicContact CG-CD2 3.94Å; K351-L356 HydrophobicContact CB-CD2 3.95Å; K351-L356 HydrophobicContact CB-CG 4.15Å; K351-L356 HydrophobicContact CD-CD2 4.16Å; S352-L356 WeakPolarHBondContact O-CG 3.49Å; S352-L356 PolarHBondContact O-N 3.2Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.09Å; L356-I359 PolarHBondContact O-N 3.11Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 2.95Å
357M91.4Very high90.5Very high131 Ų13195.8 Ų95.865%0.64550%0.503SS*.Hα-helixtrans-68.5-40.5176.4-168.5174.172.400112R353 E354 E355 A360 N361R353-M357 PolarHBondContact O-N 2.95Å; E354-M357 PolarHBondContact O-N 3.2Å; E355-M357 VanDerWaalsContact C-N 3.32Å; E355-M357 PolarHBondContact O-N 3.43Å; M357-A360 PolarHBondContact O-N 2.89Å; M357-N361 PolarHBondContact O-N 3.27Å
358L89.9Confident91.2Very high125 Ų12594.5 Ų94.565%0.65450%0.501SS*.Hα-helixtrans-63.2-42.4173.7-73.1168.9000112E354 E355 G362E354-L358 WeakPolarHBondContact O-CG 3.5Å; E354-L358 PolarHBondContact O-N 2.75Å; E355-L358 PolarHBondContact O-N 2.67Å; L358-G362 PolarHBondContact O-N 2.84Å
359I90.9Very high91.6Very high59 Ų5997.9 Ų97.930%0.30352%0.523SS..Hα-helixtrans-65.2-42.7175.5-67.3162.5000110.8Y348 K351 E355 L356 G362 M363Y348-I359 HydrophobicContact CE1-CD1 4.48Å; Y348-I359 HydrophobicContact CE1-CG2 4.23Å; K351-I359 HydrophobicContact CD-CD1 3.88Å; E355-I359 WeakPolarHBondContact O-CD1 3.47Å; E355-I359 VanDerWaalsContact O-CG1 3.25Å; E355-I359 WeakPolarHBondContact O-CG1 3.24Å; E355-I359 PolarHBondContact O-N 3.44Å; L356-I359 PolarHBondContact O-N 3.11Å; I359-G362 PolarHBondContact O-N 3.33Å; I359-M363 HydrophobicContact CG2-SD 4.19Å; I359-M363 WeakPolarHBondContact O-CG 3.37Å; I359-M363 PolarHBondContact O-N 3.04Å
360A90.8Very high91.9Very high57 Ų5796 Ų9647%0.47151%0.514SS..Hα-helixtrans-61.9-47.6178.300000111.8L356 M357 M363 E364L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 2.95Å; M357-A360 PolarHBondContact O-N 2.89Å; A360-M363 PolarHBondContact O-N 2.85Å; A360-E364 WeakPolarHBondContact O-CB 3.37Å; A360-E364 PolarHBondContact O-N 3.08Å
361N91.3Very high92.3Very high79 Ų79100.8 Ų100.842%0.42251%0.505SS..Hα-helixtrans-68.2-34.7176.6-174.8-109.2000112.3M357 E364 N365M357-N361 PolarHBondContact O-N 3.27Å; N361-E364 PolarHBondContact ND2-OE2 3.13Å; N361-E364 PolarHBondContact O-N 3.07Å; N361-N365 WeakPolarHBondContact O-CB 3.43Å; N361-N365 VanDerWaalsContact O-CG 3.25Å; N361-N365 PolarHBondContact O-N 3.31Å; N361-N365 PolarHBondContact O-ND2 3.06Å; N361-N365 PolarHBondContact OD1-ND2 3.41Å
362G93.8Very high92.6Very high38 Ų38101.3 Ų101.339%0.39251%0.509SS..Hα-helixtrans-58.3-46.3170.700000112.7L358 I359 N365 E366L358-G362 PolarHBondContact O-N 2.84Å; I359-G362 PolarHBondContact O-N 3.33Å; G362-N365 PolarHBondContact O-N 3.06Å; G362-E366 PolarHBondContact O-N 3.49Å
363M91.4Very high92.6Very high105 Ų105106.5 Ų106.552%0.51752%0.521SS..Hα-helixtrans-66-35.7175-73.3179.456.900112.9I359 A360 E366 A367I359-M363 HydrophobicContact CG2-SD 4.19Å; I359-M363 WeakPolarHBondContact O-CG 3.37Å; I359-M363 PolarHBondContact O-N 3.04Å; A360-M363 PolarHBondContact O-N 2.85Å; M363-E366 PolarHBondContact O-N 2.99Å; M363-A367 VanDerWaalsContact O-CB 3.32Å; M363-A367 WeakPolarHBondContact O-CB 3.28Å; M363-A367 PolarHBondContact O-N 2.69Å
364E93.1Very high92.8Very high116 Ų11699.3 Ų99.354%0.54250%0.502SS..Hα-helixtrans-65.6-46.9175-177.3174-14500111.5A360 N361 E366 A367 L368A360-E364 WeakPolarHBondContact O-CB 3.37Å; A360-E364 PolarHBondContact O-N 3.08Å; N361-E364 PolarHBondContact ND2-OE2 3.13Å; N361-E364 PolarHBondContact O-N 3.07Å; E364-E366 VanDerWaalsContact C-N 3.34Å; E364-E366 PolarHBondContact O-N 3.29Å; E364-A367 PolarHBondContact O-N 2.91Å; E364-L368 HydrophobicContact CG-CD1 4.31Å; E364-L368 WeakPolarHBondContact O-CB 3.38Å; E364-L368 VanDerWaalsContact O-CG 3.31Å; E364-L368 WeakPolarHBondContact O-CG 3.45Å; E364-L368 PolarHBondContact O-N 3.41Å
365N93.9Very high93Very high74 Ų7497.7 Ų97.740%0.39649%0.493SS..Hα-helixtrans-60.9-41.2174.3-69.6-43.2000111.7N361 G362 L368 L369N361-N365 WeakPolarHBondContact O-CB 3.43Å; N361-N365 VanDerWaalsContact O-CG 3.25Å; N361-N365 PolarHBondContact O-N 3.31Å; N361-N365 PolarHBondContact O-ND2 3.06Å; N361-N365 PolarHBondContact OD1-ND2 3.41Å; G362-N365 PolarHBondContact O-N 3.06Å; N365-L368 PolarHBondContact O-N 3.04Å; N365-L369 WeakPolarHBondContact O-CG 3.4Å; N365-L369 PolarHBondContact O-N 2.9Å
366E93.9Very high93.3Very high108 Ų10898.1 Ų98.151%0.50550%0.495SS..Hα-helixtrans-63.4-44.8174.3-161.8-165.3150.500111.4G362 M363 E364 L368 L369 Q370G362-E366 PolarHBondContact O-N 3.49Å; M363-E366 PolarHBondContact O-N 2.99Å; E364-E366 VanDerWaalsContact C-N 3.34Å; E364-E366 PolarHBondContact O-N 3.29Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 3.4Å; E366-L369 PolarHBondContact O-N 3.43Å; E366-Q370 WeakPolarHBondContact O-CG 3.31Å; E366-Q370 PolarHBondContact O-N 2.74Å; E366-Q370 PolarHBondContact OE1-NE2 3.49Å
367A94.8Very high93.6Very high45 Ų4599.1 Ų99.137%0.37250%0.5SS..Hα-helixtrans-63.9-35.2177.400000112.6M363 E364 R371M363-A367 VanDerWaalsContact O-CB 3.32Å; M363-A367 WeakPolarHBondContact O-CB 3.28Å; M363-A367 PolarHBondContact O-N 2.69Å; E364-A367 PolarHBondContact O-N 2.91Å; A367-R371 WeakPolarHBondContact O-CB 3.11Å; A367-R371 VanDerWaalsContact O-CG 3.3Å; A367-R371 WeakPolarHBondContact O-CG 3.39Å; A367-R371 PolarHBondContact O-N 3.34Å
368L95.4Very high93.7Very high92 Ų9298 Ų9848%0.48249%0.493SS..Hα-helixtrans-66.3-44.4172.8-72.6169.6000111.6E364 N365 E366 R371 Q372E364-L368 HydrophobicContact CG-CD1 4.31Å; E364-L368 WeakPolarHBondContact O-CB 3.38Å; E364-L368 VanDerWaalsContact O-CG 3.31Å; E364-L368 WeakPolarHBondContact O-CG 3.45Å; E364-L368 PolarHBondContact O-N 3.41Å; N365-L368 PolarHBondContact O-N 3.04Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 3.4Å; L368-R371 PolarHBondContact O-N 3.35Å; L368-Q372 WeakPolarHBondContact O-CB 3.38Å; L368-Q372 PolarHBondContact O-N 2.96Å
369L94.3Very high94.1Very high129 Ų12995.4 Ų95.468%0.67548%0.48SS*.Hα-helixtrans-63.4-40.2174.4-72.2169.1000112.1N365 E366 Q372 R373N365-L369 WeakPolarHBondContact O-CG 3.4Å; N365-L369 PolarHBondContact O-N 2.9Å; E366-L369 PolarHBondContact O-N 3.43Å; L369-Q372 PolarHBondContact O-N 2.9Å; L369-R373 WeakPolarHBondContact O-CB 3.46Å; L369-R373 PolarHBondContact O-N 2.88Å
370Q94.6Very high94.3Very high109 Ų10999 Ų9951%0.50949%0.491SS..Hα-helixtrans-64.3-42.4174.4-71.1-174.22300111.6E366 R373 V374E366-Q370 WeakPolarHBondContact O-CG 3.31Å; E366-Q370 PolarHBondContact O-N 2.74Å; E366-Q370 PolarHBondContact OE1-NE2 3.49Å; Q370-R373 PolarHBondContact O-N 2.98Å; Q370-V374 WeakPolarHBondContact O-CG2 3.44Å; Q370-V374 PolarHBondContact O-N 3.29Å
371R94.1Very high94.5Very high186 Ų186101.3 Ų101.370%0.70250%0.495SS*.Hα-helixtrans-61.7-46.1174.3-78.1174.1176.3-171.80.1112.5A367 L368 R373 V374 K375A367-R371 WeakPolarHBondContact O-CB 3.11Å; A367-R371 VanDerWaalsContact O-CG 3.3Å; A367-R371 WeakPolarHBondContact O-CG 3.39Å; A367-R371 PolarHBondContact O-N 3.34Å; L368-R371 PolarHBondContact O-N 3.35Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.93Å; R371-V374 PolarHBondContact O-N 3.13Å; R371-K375 PolarHBondContact O-N 3.09Å
372Q95.5Very high94.8Very high93 Ų93102 Ų10244%0.43550%0.498SS..Hα-helixtrans-61.2-42.6176.9176.756.727.500111.2L368 L369 K375 E376L368-Q372 WeakPolarHBondContact O-CB 3.38Å; L368-Q372 PolarHBondContact O-N 2.96Å; L369-Q372 PolarHBondContact O-N 2.9Å; Q372-K375 PolarHBondContact O-N 3.47Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.3Å; Q372-E376 PolarHBondContact NE2-OE1 3.23Å; Q372-E376 WeakPolarHBondContact O-CG 3.18Å; Q372-E376 PolarHBondContact O-N 3.16Å
373R92.4Very high94.8Very high158 Ų158104.6 Ų104.660%0.59650%0.503SS*.Hα-helixtrans-65.8-36175.7-175.6178.8176.9-130.9-5.4113.3L369 Q370 R371 L377L369-R373 WeakPolarHBondContact O-CB 3.46Å; L369-R373 PolarHBondContact O-N 2.88Å; Q370-R373 PolarHBondContact O-N 2.98Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.93Å; R373-L377 HydrophobicContact CG-CD1 4.39Å; R373-L377 VanDerWaalsContact O-CG 3.29Å; R373-L377 WeakPolarHBondContact O-CG 3.08Å; R373-L377 PolarHBondContact O-N 3.38Å
374V95.4Very high95Very high76 Ų76102.8 Ų102.846%0.46150%0.495SS..Hα-helixtrans-62.4-48.9172.2166.50000109.5Q370 R371 E376 L377 E378Q370-V374 WeakPolarHBondContact O-CG2 3.44Å; Q370-V374 PolarHBondContact O-N 3.29Å; R371-V374 PolarHBondContact O-N 3.13Å; V374-E376 PolarHBondContact O-N 3.16Å; V374-L377 WeakPolarHBondContact O-CB 3.47Å; V374-L377 PolarHBondContact O-N 3.17Å; V374-E378 HydrophobicContact CG1-CG 4.32Å; V374-E378 WeakPolarHBondContact O-CG 3.4Å; V374-E378 PolarHBondContact O-N 3.21Å
375K96.1Very high95.1Very high108 Ų108100.8 Ų100.847%0.4749%0.488SS..Hα-helixtrans-58.3-44.5176.9-169.5-168.2169.5-167.40112.6R371 Q372 L377 E378 D379R371-K375 PolarHBondContact O-N 3.09Å; Q372-K375 PolarHBondContact O-N 3.47Å; K375-L377 PolarHBondContact O-N 3.5Å; K375-E378 PolarHBondContact O-N 3.05Å; K375-E378 VanDerWaalsContact O-N 3.14Å; K375-D379 WeakPolarHBondContact CE-OD2 3.15Å; K375-D379 WeakPolarHBondContact O-CB 3.5Å; K375-D379 PolarHBondContact O-N 2.59Å
376E95.2Very high95.1Very high105 Ų105101.9 Ų101.949%0.49149%0.493SS..Hα-helixtrans-61.5-30.5176.8-75.1167.6-167.400113.1Q372 V374 Y380Q372-E376 WeakPolarHBondContact CG-OE1 3.3Å; Q372-E376 PolarHBondContact NE2-OE1 3.23Å; Q372-E376 WeakPolarHBondContact O-CG 3.18Å; Q372-E376 PolarHBondContact O-N 3.16Å; V374-E376 PolarHBondContact O-N 3.16Å; E376-Y380 WeakPolarHBondContact O-CB 3.44Å; E376-Y380 PolarHBondContact O-N 2.85Å
377L96.6Very high95.1Very high89 Ų89103 Ų10347%0.46649%0.493SS..Hα-helixtrans-78-35.9174.1-69.4168.2000112R373 V374 K375 L381R373-L377 HydrophobicContact CG-CD1 4.39Å; R373-L377 VanDerWaalsContact O-CG 3.29Å; R373-L377 WeakPolarHBondContact O-CG 3.08Å; R373-L377 PolarHBondContact O-N 3.38Å; V374-L377 WeakPolarHBondContact O-CB 3.47Å; V374-L377 PolarHBondContact O-N 3.17Å; K375-L377 PolarHBondContact O-N 3.5Å; L377-L381 WeakPolarHBondContact O-CB 3.15Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.36Å
378E94.9Very high95.1Very high107 Ų107102.1 Ų102.150%0.548%0.483SS..Hα-helixtrans-64.2-53.5171.9-68.7168155.700110.5V374 K375 Y380 L381 D382V374-E378 HydrophobicContact CG1-CG 4.32Å; V374-E378 WeakPolarHBondContact O-CG 3.4Å; V374-E378 PolarHBondContact O-N 3.21Å; K375-E378 PolarHBondContact O-N 3.05Å; K375-E378 VanDerWaalsContact O-N 3.14Å; E378-Y380 VanDerWaalsContact C-N 3.26Å; E378-Y380 PolarHBondContact O-N 3.14Å; E378-L381 PolarHBondContact O-N 3.3Å; E378-D382 PolarHBondContact O-N 2.91Å
379D97.2Very high94.9Very high71 Ų71102.8 Ų102.838%0.3849%0.485SS..Hα-helixtrans-54.3-41174.4-72.7-28.3000111.1K375 N383K375-D379 WeakPolarHBondContact CE-OD2 3.15Å; K375-D379 WeakPolarHBondContact O-CB 3.5Å; K375-D379 PolarHBondContact O-N 2.59Å; D379-N383 WeakPolarHBondContact O-CB 3.47Å; D379-N383 PolarHBondContact O-N 2.95Å; D379-N383 PolarHBondContact O-ND2 2.86Å
380Y95.8Very high94.8Very high135 Ų135104.1 Ų104.153%0.52949%0.487SS..Hα-helixtrans-68.2-41.2175.6172.9-95.1000113E376 E378 L384E376-Y380 WeakPolarHBondContact O-CB 3.44Å; E376-Y380 PolarHBondContact O-N 2.85Å; E378-Y380 VanDerWaalsContact C-N 3.26Å; E378-Y380 PolarHBondContact O-N 3.14Å; Y380-L384 HydrophobicContact CE1-CD2 4.18Å; Y380-L384 VanDerWaalsContact O-CB 3.31Å; Y380-L384 WeakPolarHBondContact O-CB 3.47Å; Y380-L384 PolarHBondContact O-N 3.23Å
381L95.8Very high94.7Very high104 Ų104102.6 Ų102.655%0.54549%0.486SS..Hα-helixtrans-65.3-42.3177.5-77.4169.8000111.3L377 E378 L384 L385L377-L381 WeakPolarHBondContact O-CB 3.15Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.36Å; E378-L381 PolarHBondContact O-N 3.3Å; L381-L384 PolarHBondContact O-N 2.86Å; L381-L385 VanDerWaalsContact O-CB 3.27Å; L381-L385 WeakPolarHBondContact O-CB 3.43Å; L381-L385 PolarHBondContact O-N 3.01Å
382D95.7Very high94.4Very high94 Ų9499.5 Ų99.550%0.50348%0.479SS..Hα-helixtrans-65.7-44.6176.7-76.8-8.9000111.4E378 L384 L385 L386E378-D382 PolarHBondContact O-N 2.91Å; D382-L384 PolarHBondContact O-N 3.04Å; D382-L385 PolarHBondContact O-N 3.47Å; D382-L386 WeakPolarHBondContact O-CB 3.33Å; D382-L386 WeakPolarHBondContact O-CG 3.5Å; D382-L386 PolarHBondContact O-N 2.83Å
383N95.8Very high94.1Very high93 Ų9398.4 Ų98.450%0.49748%0.48SS..Hα-helixtrans-64.7-24.9174-85.2-83.5000113.5D379 R387D379-N383 WeakPolarHBondContact O-CB 3.47Å; D379-N383 PolarHBondContact O-N 2.95Å; D379-N383 PolarHBondContact O-ND2 2.86Å; N383-R387 PolarHBondContact O-NH1 3.18Å
384L95.1Very high93.7Very high66 Ų6698.8 Ų98.835%0.34649%0.486SS..Hα-helixtrans-79.7-42.8171.918059.1000110.9Y380 L381 D382 R387 V388Y380-L384 HydrophobicContact CE1-CD2 4.18Å; Y380-L384 VanDerWaalsContact O-CB 3.31Å; Y380-L384 WeakPolarHBondContact O-CB 3.47Å; Y380-L384 PolarHBondContact O-N 3.23Å; L381-L384 PolarHBondContact O-N 2.86Å; D382-L384 PolarHBondContact O-N 3.04Å; L384-R387 PolarHBondContact O-N 3.36Å; L384-V388 HydrophobicContact CD1-CG2 4.39Å; L384-V388 WeakPolarHBondContact O-CG2 3.44Å; L384-V388 PolarHBondContact O-N 3.03Å
385L95.1Very high93.3Very high74 Ų74101 Ų10139%0.38749%0.494SS..Hα-helixtrans-62.9-47-179.6-177.561.5000111.5L381 D382 R387 V388 M389 L396L381-L385 VanDerWaalsContact O-CB 3.27Å; L381-L385 WeakPolarHBondContact O-CB 3.43Å; L381-L385 PolarHBondContact O-N 3.01Å; D382-L385 PolarHBondContact O-N 3.47Å; L385-R387 PolarHBondContact O-N 2.95Å; L385-V388 PolarHBondContact O-N 2.95Å; L385-V388 VanDerWaalsContact O-N 3.13Å; L385-M389 HydrophobicContact CG-SD 4.14Å; L385-M389 WeakPolarHBondContact O-CG 3.34Å; L385-M389 PolarHBondContact O-N 2.75Å; L385-L396 HydrophobicContact CD1-CD1 3.67Å; L385-L396 HydrophobicContact CD1-CD2 3.63Å; L385-L396 HydrophobicContact CD1-CG 4.32Å
386L93.8Very high92.7Very high97 Ų97100 Ų10051%0.50849%0.493SS..Hα-helixtrans-53.1-52173.4-74.1169.2000111.3D382 V388 M389 E390D382-L386 WeakPolarHBondContact O-CB 3.33Å; D382-L386 WeakPolarHBondContact O-CG 3.5Å; D382-L386 PolarHBondContact O-N 2.83Å; L386-V388 VanDerWaalsContact C-N 3.29Å; L386-V388 PolarHBondContact O-N 2.53Å; L386-M389 WeakPolarHBondContact O-CB 3.35Å; L386-M389 PolarHBondContact O-N 2.6Å; L386-M389 VanDerWaalsContact O-N 3.1Å; L386-E390 WeakPolarHBondContact O-CG 3.42Å; L386-E390 PolarHBondContact O-N 2.83Å
387R93.4Very high92.1Very high132 Ų132101.2 Ų101.250%0.49850%0.499SS..Hα-helixtrans-62-35178.9-169.1-178.2-62.490.97.5112.6N383 L384 L385 T391N383-R387 PolarHBondContact O-NH1 3.18Å; L384-R387 PolarHBondContact O-N 3.36Å; L385-R387 PolarHBondContact O-N 2.95Å; R387-T391 HydrophobicContact CG-CG2 4.48Å; R387-T391 WeakPolarHBondContact O-CB 3.31Å; R387-T391 WeakPolarHBondContact O-CG2 3.42Å; R387-T391 PolarHBondContact O-N 2.85Å; R387-T391 PolarHBondContact O-OG1 2.88Å
388V95.1Very high90.9Very high26 Ų26102.9 Ų102.916%0.15851%0.508CS..Hα-helixtrans-70.9-38.8174.8170.50000111.3L384 L385 L386 H392 P393 I395 L396L384-V388 HydrophobicContact CD1-CG2 4.39Å; L384-V388 WeakPolarHBondContact O-CG2 3.44Å; L384-V388 PolarHBondContact O-N 3.03Å; L385-V388 PolarHBondContact O-N 2.95Å; L385-V388 VanDerWaalsContact O-N 3.13Å; L386-V388 VanDerWaalsContact C-N 3.29Å; L386-V388 PolarHBondContact O-N 2.53Å; V388-H392 CarbonylContact O-C 3.55Å; V388-H392 WeakPolarHBondContact O-CA 3.22Å; V388-H392 PolarHBondContact O-N 2.78Å; V388-P393 VanDerWaalsContact O-N 3.12Å; V388-I395 HydrophobicContact CG1-CB 4Å; V388-I395 HydrophobicContact CG1-CD1 4.48Å; V388-I395 HydrophobicContact CG1-CG2 4.32Å; V388-L396 HydrophobicContact CG1-CD1 4.17Å; V388-L396 HydrophobicContact CG1-CD2 3.99Å; V388-L396 HydrophobicContact CG1-CG 3.87Å
389M92Very high89.5Confident107 Ų107103.1 Ų103.153%0.52752%0.519SS..Hα-helixtrans-63.5-40174.5-71.1173.663.100112.1L385 L386 P393 L396L385-M389 HydrophobicContact CG-SD 4.14Å; L385-M389 WeakPolarHBondContact O-CG 3.34Å; L385-M389 PolarHBondContact O-N 2.75Å; L386-M389 WeakPolarHBondContact O-CB 3.35Å; L386-M389 PolarHBondContact O-N 2.6Å; L386-M389 VanDerWaalsContact O-N 3.1Å; M389-P393 WeakPolarHBondContact O-CD 3.49Å; M389-L396 HydrophobicContact CG-CD1 3.44Å; M389-L396 VanDerWaalsContact CG-CD1 3.44Å
390E90.8Very high87.3Confident156 Ų156109.4 Ų109.473%0.72954%0.539SS*.Hα-helixtrans-69.5-46.5176.8-70.5170.7165.500112.8L386L386-E390 WeakPolarHBondContact O-CG 3.42Å; L386-E390 PolarHBondContact O-N 2.83Å
391T91.9Very high85.3Confident77 Ų77108.6 Ų108.647%0.47255%0.553SS.*Hα-helixtrans-92.5-47.4-170.157.60000113.6R387R387-T391 HydrophobicContact CG-CG2 4.48Å; R387-T391 WeakPolarHBondContact O-CB 3.31Å; R387-T391 WeakPolarHBondContact O-CG2 3.42Å; R387-T391 PolarHBondContact O-N 2.85Å; R387-T391 PolarHBondContact O-OG1 2.88Å
392H88Confident82.8Confident122 Ų122113.2 Ų113.257%0.56556%0.563SS**  trans-142.657.8-167.5-63.5-33.4000112.3V388 K394 I395V388-H392 CarbonylContact O-C 3.55Å; V388-H392 WeakPolarHBondContact O-CA 3.22Å; V388-H392 PolarHBondContact O-N 2.78Å; H392-K394 PolarHBondContact O-N 3.18Å; H392-I395 HydrophobicContact CB-CD1 3.69Å; H392-I395 HydrophobicContact CB-CG1 4.14Å; H392-I395 WeakPolarHBondContact O-CB 3.34Å; H392-I395 WeakPolarHBondContact O-CG1 3.43Å; H392-I395 PolarHBondContact O-N 3.45Å
393P89.1Confident80.1Confident69 Ų69115.3 Ų115.345%0.44858%0.579SS.*G310 helixtrans-60.6-16.3-173.922.6-33.8000114.2V388 M389 I395 L396V388-P393 VanDerWaalsContact O-N 3.12Å; M389-P393 WeakPolarHBondContact O-CD 3.49Å; P393-I395 PolarHBondContact O-N 2.74Å; P393-L396 PolarHBondContact O-N 2.76Å; P393-L396 VanDerWaalsContact O-N 3.16Å
394K85.4Confident78Confident167 Ų167116.3 Ų116.373%0.72659%0.589SS**G310 helixtrans-60.2-25.7171.8-66.7-175.6179.8179.10113.6H392 L396 Q397H392-K394 PolarHBondContact O-N 3.18Å; K394-L396 PolarHBondContact O-N 2.99Å; K394-Q397 WeakPolarHBondContact O-CB 3.02Å; K394-Q397 PolarHBondContact O-N 2.98Å; K394-Q397 VanDerWaalsContact O-N 3.14Å
395I85.6Confident75.6Confident122 Ų122117.5 Ų117.563%0.62660%0.603SS**G310 helixtrans-64.6-27177.1-63.3174.2000111.4V388 H392 P393 Q397V388-I395 HydrophobicContact CG1-CB 4Å; V388-I395 HydrophobicContact CG1-CD1 4.48Å; V388-I395 HydrophobicContact CG1-CG2 4.32Å; H392-I395 HydrophobicContact CB-CD1 3.69Å; H392-I395 HydrophobicContact CB-CG1 4.14Å; H392-I395 WeakPolarHBondContact O-CB 3.34Å; H392-I395 WeakPolarHBondContact O-CG1 3.43Å; H392-I395 PolarHBondContact O-N 3.45Å; P393-I395 PolarHBondContact O-N 2.74Å; I395-Q397 VanDerWaalsContact C-N 3.32Å
396L84.6Confident73.2Confident86 Ų86118.8 Ų118.845%0.4562%0.624SS.*G310 helixtrans-87.4-0.9179.1-53.5175.1000112.9L385 V388 M389 P393 K394 N398L385-L396 HydrophobicContact CD1-CD1 3.67Å; L385-L396 HydrophobicContact CD1-CD2 3.63Å; L385-L396 HydrophobicContact CD1-CG 4.32Å; V388-L396 HydrophobicContact CG1-CD1 4.17Å; V388-L396 HydrophobicContact CG1-CD2 3.99Å; V388-L396 HydrophobicContact CG1-CG 3.87Å; M389-L396 HydrophobicContact CG-CD1 3.44Å; M389-L396 VanDerWaalsContact CG-CD1 3.44Å; P393-L396 PolarHBondContact O-N 2.76Å; P393-L396 VanDerWaalsContact O-N 3.16Å; K394-L396 PolarHBondContact O-N 2.99Å; L396-N398 PolarHBondContact O-N 2.9Å
397Q81.4Confident70.9Confident132 Ų132123.2 Ų123.262%0.61764%0.639SS**SBendtrans-81.3115.9179.2-65.8-179.6-12.900110.3K394 I395 P399K394-Q397 WeakPolarHBondContact O-CB 3.02Å; K394-Q397 PolarHBondContact O-N 2.98Å; K394-Q397 VanDerWaalsContact O-N 3.14Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; Q397-P399 WeakPolarHBondContact O-CD 3.21Å
398N71.4Confident68.3Low124 Ų124121.6 Ų121.666%0.66365%0.648SS**  trans-62.9118.1172.6-173.85.4000109.6L396 Y400L396-N398 PolarHBondContact O-N 2.9Å; N398-Y400 PolarHBondContact O-N 2.77Å; N398-Y400 WeakPolarHBondContact OD1-CD2 3.39Å
399P65.9Low65.8Low112 Ų112130.9 Ų130.973%0.72768%0.682SS**SBendtrans-69-3.7-169.226-35.7000115.1Q397 S401Q397-P399 WeakPolarHBondContact O-CD 3.21Å; P399-S401 VanDerWaalsContact C-N 3.29Å; P399-S401 PolarHBondContact O-N 2.91Å
400Y52.6Low63.3Low203 Ų203132.3 Ų132.380%0.79669%0.685SS**  trans-80.862.8-177.1-69.5-71.6000114.5N398 R402N398-Y400 PolarHBondContact O-N 2.77Å; N398-Y400 WeakPolarHBondContact OD1-CD2 3.39Å; Y400-R402 PolarHBondContact O-N 3.08Å
401S52.8Low60.8Low117 Ų117131.8 Ų131.882%0.81869%0.687SS**  trans-7675.3162.4-75.10000111.5P399P399-S401 VanDerWaalsContact C-N 3.29Å; P399-S401 PolarHBondContact O-N 2.91Å
402R42.7Very low58.3Low202 Ų202136.7 Ų136.776%0.76270%0.698SS**  trans38.693.8154-170.3-172.2-64.5-111.8-0.9116.8Y400 T404Y400-R402 PolarHBondContact O-N 3.08Å; R402-T404 HydrophobicContact CG-CG2 3.68Å; R402-T404 PolarHBondContact O-N 3.1Å
403T40Very low56.3Low138 Ų138137.7 Ų137.785%0.84771%0.706SS**  trans-74.362.5165.543.70000112.8S405T403-S405 PolarHBondContact O-N 2.83Å
404T51.5Low54Low114 Ų114138.2 Ų138.270%0.69971%0.705SS**  trans-74.972168.234.20000111.4R402R402-T404 HydrophobicContact CG-CG2 3.68Å; R402-T404 PolarHBondContact O-N 3.1Å
405S44.6Very low52.1Low91 Ų91137.7 Ų137.764%0.63671%0.707SS**  trans-124.542165.957.40000111.4T403 K407T403-S405 PolarHBondContact O-N 2.83Å; S405-K407 PolarHBondContact O-N 3.49Å
406A44.7Very low50.5Low101 Ų101137.8 Ų137.884%0.83571%0.709SS**  trans-6574.1161.400000109.8S408A406-S408 VanDerWaalsContact C-N 3.31Å; A406-S408 PolarHBondContact O-N 3.32Å
407K45Very low48.9Very low190 Ų190139.7 Ų139.783%0.82672%0.72SS**  trans-64.394.5169.5-75.4-172.9175.2-176.60107.5S405 Y409S405-K407 PolarHBondContact O-N 3.49Å; K407-Y409 PolarHBondContact O-N 3.5Å
408S39.2Very low47.3Very low97 Ų97142.7 Ų142.768%0.67873%0.731SS**  trans-56.1121.5175.4-176.30000109.1A406 K410A406-S408 VanDerWaalsContact C-N 3.31Å; A406-S408 PolarHBondContact O-N 3.32Å; S408-K410 VanDerWaalsContact C-N 3.28Å; S408-K410 PolarHBondContact O-N 3.06Å
409Y43Very low46.1Very low221 Ų221144.2 Ų144.287%0.86774%0.739SS**  trans-68.988.1172.1-83.2-88.3000109.4K407K407-Y409 PolarHBondContact O-N 3.5Å
410K39.5Very low45Very low138 Ų138152.3 Ų152.360%0.676%0.762SS**  trans-111.576.3165.5-85.5-173.4159-163.90109.6S408 Y412S408-K410 VanDerWaalsContact C-N 3.28Å; S408-K410 PolarHBondContact O-N 3.06Å; K410-Y412 HydrophobicContact CB-CD2 4.11Å; K410-Y412 HydrophobicContact CB-CE2 3.95Å; K410-Y412 HydrophobicContact CD-CE2 3.77Å; K410-Y412 HydrophobicContact CG-CE2 4.31Å; K410-Y412 PolarHBondContact NZ-OH 2.88Å; K410-Y412 PolarHBondContact O-N 3.07Å
411N37.4Very low44.6Very low144 Ų144149.8 Ų149.877%0.7776%0.761SS**  trans-6790.1159-74.22.1000107.7I413N411-I413 PolarHBondContact O-N 3.47Å; N411-I413 VanDerWaalsContact O-N 3.09Å
412Y39.7Very low44.2Very low181 Ų181151.5 Ų151.571%0.7176%0.758SS**  trans-71.198.5165.3-80.1-78.1000108.3K410 N414K410-Y412 HydrophobicContact CB-CD2 4.11Å; K410-Y412 HydrophobicContact CB-CE2 3.95Å; K410-Y412 HydrophobicContact CD-CE2 3.77Å; K410-Y412 HydrophobicContact CG-CE2 4.31Å; K410-Y412 PolarHBondContact NZ-OH 2.88Å; K410-Y412 PolarHBondContact O-N 3.07Å; Y412-N414 PolarHBondContact O-N 3.32Å
413I45.5Very low44.3Very low143 Ų143148.7 Ų148.773%0.73376%0.757SS**  trans-64.7113.5160.9-64.3176000106.2N411 M415N411-I413 PolarHBondContact O-N 3.47Å; N411-I413 VanDerWaalsContact O-N 3.09Å; I413-M415 PolarHBondContact O-N 3.08Å
414N40.6Very low44.5Very low79 Ų79149.4 Ų149.442%0.42275%0.752SS.*  trans-7792.9179.6-178.133.9000109.4Y412 N416 D417Y412-N414 PolarHBondContact O-N 3.32Å; N414-N416 PolarHBondContact O-N 3.13Å; N414-D417 WeakPolarHBondContact CB-OD2 3.45Å; N414-D417 PolarHBondContact ND2-OD1 2.94Å; N414-D417 VanDerWaalsContact ND2-OD1 3.1Å; N414-D417 PolarHBondContact ND2-OD2 3.03Å; N414-D417 PolarHBondContact O-N 3.11Å; N414-D417 VanDerWaalsContact O-N 3.13Å
415M46.7Very low44.1Very low156 Ų156151.6 Ų151.677%0.76876%0.755SS**THydrogen-bonded Turntrans-63.55.3-178.3-73-78.3-74.300114.8I413I413-M415 PolarHBondContact O-N 3.08Å
416N51.8Low44Very low124 Ų124155.6 Ų155.666%0.66376%0.763SS**THydrogen-bonded Turntrans-91.9-17.3173.6-66-39.8000113.5N414 F418 L419N414-N416 PolarHBondContact O-N 3.13Å; N416-F418 PolarHBondContact O-N 3.22Å; N416-L419 PolarHBondContact O-N 3.16Å
417D50.8Low44Very low126 Ų126159.5 Ų159.567%0.67476%0.758SS**THydrogen-bonded Turntrans-7915.1-177.4-61-35.9000113.6N414N414-D417 WeakPolarHBondContact CB-OD2 3.45Å; N414-D417 PolarHBondContact ND2-OD1 2.94Å; N414-D417 VanDerWaalsContact ND2-OD1 3.1Å; N414-D417 PolarHBondContact ND2-OD2 3.03Å; N414-D417 PolarHBondContact O-N 3.11Å; N414-D417 VanDerWaalsContact O-N 3.13Å
418F47.9Very low43.9Very low196 Ų196157.2 Ų157.286%0.8675%0.753SS**THydrogen-bonded Turntrans-119.27.6176.8-95.4-82000113.9N416N416-F418 PolarHBondContact O-N 3.22Å
419L46.5Very low44.3Very low156 Ų156162.2 Ų162.282%0.81776%0.759SS**  trans-135.670.7-179.3-89.8168.9000112.9N416N416-L419 PolarHBondContact O-N 3.16Å
420K42.5Very low44.4Very low282 Ų282156.8 Ų156.8100%1.22675%0.749SS**  trans-162.80151.4-114.5166.4-173.7175.60112.2

Retrieved 420 of 420 residues in 318.5 ms (Link to these results)

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