Q99NN8_MOUSE Loading...

Recombination activating protein 1

AlphaFold DB , UniProt , Accession Q99NN8, Species MOUSE (Mus musculus, Mouse), Gene Rag1, Length 258 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
1D70.4Confident90.8Very high169 Ų16957.4 Ų57.490%0.90430%0.299SS*.  0-22.2053.7-1.2000112.8R112D1-R112 PolarHBondContact O-NH2 2.66Å
2Y84.3Confident91.4Very high173 Ų17354.6 Ų54.668%0.67828%0.283SS*.  trans-88.57-178.557.3-94.1000116.8I110Y2-I110 VanDerWaalsContact CA-CD1 3.49Å
3L86.6Confident91.9Very high60 Ų6051 Ų5131%0.31426%0.264SS..  trans-66.7138.3179.9-65.5174.3000111F7 I47 R112L3-F7 HydrophobicContact CB-CZ 4.31Å; L3-I47 HydrophobicContact CB-CD1 3.58Å; L3-I47 HydrophobicContact CD1-CD1 3.78Å; L3-I47 HydrophobicContact CD1-CG2 4.31Å; L3-I47 HydrophobicContact CG-CD1 4.26Å; L3-R112 WeakPolarHBondContact O-CD 3.34Å; L3-R112 PolarHBondContact O-NE 3.5Å
4N88.8Confident92.4Very high103 Ų10348.8 Ų48.855%0.55126%0.255SS*.  trans-98-6.8-177.663.6-17.3000114.2I110 P111 R112 T113N4-I110 HydrophobicContact CB-CG2 4.33Å; N4-P111 WeakPolarHBondContact CB-O 3.06Å; N4-R112 CarbonylContact O-C 3.51Å; N4-R112 VanDerWaalsContact O-CA 3.28Å; N4-R112 WeakPolarHBondContact O-CA 3.39Å; N4-T113 PolarHBondContact O-N 3.38Å; N4-T113 PolarHBondContact O-OG1 2.88Å
5G87.6Confident92.7Very high21 Ų2145.6 Ų45.622%0.21624%0.239CC..  trans109.4-169.4173.700000114.2
6P93.1Very high93Very high38 Ų3846.2 Ų46.225%0.24724%0.242CC..PPolyproline II helixcis-76.7132.78.830.3-34.2000113.2T113 K115P6-T113 WeakPolarHBondContact CA-OG1 3.43Å; P6-K115 HydrophobicContact CB-CD 4.29Å; P6-K115 HydrophobicContact CB-CG 4.41Å
7F95.8Very high93.1Very high16 Ų1645.2 Ų45.27%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-85.6131.2167.9-65.9-97.7000109.2L3 I45 T46 I47 V56 R112 T113 F114 K115L3-F7 HydrophobicContact CB-CZ 4.31Å; F7-I45 HydrophobicContact CB-CG2 4.09Å; F7-I45 HydrophobicContact CD1-CG2 3.98Å; F7-I45 HydrophobicContact CG-CG2 4.47Å; F7-T46 CarbonylContact C-O 3.52Å; F7-T46 VanDerWaalsContact CA-O 3.25Å; F7-T46 WeakPolarHBondContact CA-O 3.48Å; F7-I47 HydrophobicContact CD1-CB 3.81Å; F7-I47 HydrophobicContact CD1-CD1 4.13Å; F7-I47 HydrophobicContact CD1-CG1 4.38Å; F7-I47 HydrophobicContact CD2-CD1 4.2Å; F7-I47 HydrophobicContact CE1-CB 3.93Å; F7-I47 HydrophobicContact CE1-CD1 3.72Å; F7-I47 HydrophobicContact CE1-CG1 4.36Å; F7-I47 HydrophobicContact CE1-CG2 4.39Å; F7-I47 HydrophobicContact CE2-CD1 3.77Å; F7-I47 HydrophobicContact CG-CB 4.41Å; F7-I47 HydrophobicContact CG-CD1 4.36Å; F7-I47 HydrophobicContact CZ-CD1 3.53Å; F7-V56 HydrophobicContact CD1-CG2 4.35Å; F7-V56 HydrophobicContact CE1-CG2 4.16Å; F7-R112 HydrophobicContact CD2-CB 4.3Å; F7-R112 HydrophobicContact CE2-CB 4.02Å; F7-R112 HydrophobicContact CE2-CG 4.03Å; F7-T113 WeakPolarHBondContact CD2-O 3.48Å; F7-T113 PolarHBondContact N-O 3.07Å; F7-F114 HydrophobicContact CB-CD1 3.47Å; F7-F114 VanDerWaalsContact CB-CD1 3.47Å; F7-F114 HydrophobicContact CB-CE1 3.68Å; F7-F114 HydrophobicContact CB-CG 4.31Å; F7-F114 HydrophobicContact CD2-CD1 4.42Å; F7-F114 HydrophobicContact CD2-CE1 4.04Å; F7-F114 HydrophobicContact CD2-CZ 4.27Å; F7-F114 HydrophobicContact CG-CD1 4.13Å; F7-F114 AromaticContact CG-CE1 3.83Å; F7-F114 HydrophobicContact CG-CE1 3.83Å; F7-F114 HydrophobicContact CG-CZ 4.49Å; F7-F114 CarbonylContact O-C 3.48Å; F7-F114 VanDerWaalsContact O-CA 3.29Å; F7-F114 WeakPolarHBondContact O-CA 3.46Å; F7-K115 PolarHBondContact O-N 3.3Å
8T96.9Very high93.4Very high29 Ų2948.9 Ų48.918%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-93.7118.2170.2-55.30000109.9I45 T46 I117T8-I45 WeakPolarHBondContact O-CA 3.29Å; T8-T46 PolarHBondContact N-O 2.78Å; T8-T46 PolarHBondContact O-N 2.73Å; T8-I117 HydrophobicContact CG2-CD1 3.43Å; T8-I117 VanDerWaalsContact CG2-CD1 3.43Å; T8-I117 HydrophobicContact CG2-CG1 3.79Å
9V97.9Very high93.5Very high6 Ų648.6 Ų48.64%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-101.9112.2177.9-172.80000108.5V11 V42 I45 F114 K115 F116 I117V9-V11 HydrophobicContact CG1-CG2 3.92Å; V9-V42 HydrophobicContact CG1-CG1 3.75Å; V9-V42 HydrophobicContact CG1-CG2 4.37Å; V9-I45 HydrophobicContact CG1-CG1 4.28Å; V9-I45 HydrophobicContact CG2-CG1 4.33Å; V9-I45 HydrophobicContact CG2-CG2 4.41Å; V9-F114 HydrophobicContact CG2-CB 4.18Å; V9-F114 HydrophobicContact CG2-CD1 3.62Å; V9-F114 HydrophobicContact CG2-CG 4.34Å; V9-K115 PolarHBondContact N-O 3.11Å; V9-F116 HydrophobicContact CB-CD1 3.73Å; V9-F116 HydrophobicContact CB-CE1 3.83Å; V9-F116 HydrophobicContact CG1-CD1 4Å; V9-F116 HydrophobicContact CG1-CE1 3.92Å; V9-F116 HydrophobicContact CG2-CD1 4.39Å; V9-F116 HydrophobicContact CG2-CE1 4.08Å; V9-F116 WeakPolarHBondContact O-CA 3.35Å; V9-I117 PolarHBondContact O-N 3.01Å
10V98.3Very high93.6Very high11 Ų1154.3 Ų54.37%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-87.5119.1172.4-1750000108.4M43 R44 I117 R119V10-M43 HydrophobicContact CG1-CB 4.49Å; V10-M43 WeakPolarHBondContact O-CB 3.41Å; V10-M43 PolarHBondContact O-N 2.9Å; V10-R44 HydrophobicContact CB-CB 4.3Å; V10-R44 HydrophobicContact CG2-CB 4.47Å; V10-R44 PolarHBondContact N-O 2.81Å; V10-R44 PolarHBondContact O-N 2.93Å; V10-I117 CarbonylContact C-O 3.57Å; V10-I117 WeakPolarHBondContact CA-O 3.38Å; V10-I117 HydrophobicContact CG2-CB 4.44Å; V10-R119 HydrophobicContact CG1-CG 4.25Å
11V98.6Very high93.8Very high5 Ų553.2 Ų53.23%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-111.3122.7-178.3-178.50000108.6V9 F40 T41 F116 I117 F118 R119V9-V11 HydrophobicContact CG1-CG2 3.92Å; V11-F40 HydrophobicContact CG1-CB 3.73Å; V11-F40 HydrophobicContact CG1-CD2 3.9Å; V11-F40 HydrophobicContact CG1-CG 4.21Å; V11-T41 CarbonylContact C-O 3.57Å; V11-T41 WeakPolarHBondContact CA-O 3.39Å; V11-F116 HydrophobicContact CG2-CD1 3.95Å; V11-I117 PolarHBondContact N-O 3.17Å; V11-F118 HydrophobicContact CB-CD1 3.95Å; V11-F118 HydrophobicContact CB-CE1 4.31Å; V11-F118 HydrophobicContact CG1-CD1 4.09Å; V11-F118 HydrophobicContact CG1-CE1 4.35Å; V11-F118 HydrophobicContact CG2-CD1 4.5Å; V11-F118 HydrophobicContact CG2-CE1 4.41Å; V11-F118 CarbonylContact O-C 3.57Å; V11-R119 PolarHBondContact O-N 2.65Å
12K98.5Very high95.1Very high24 Ų2449.5 Ų49.510%0.10428%0.284CS..EExtended strand (participates in β ladder)trans-82.9118.5166.8176.7-178.374.5168.50108.1F40 T41 M43 P62 N63 R119K12-F40 CarbonylContact O-C 3.55Å; K12-F40 WeakPolarHBondContact O-CA 3.36Å; K12-T41 PolarHBondContact N-O 3.26Å; K12-T41 PolarHBondContact O-N 2.96Å; K12-M43 HydrophobicContact CB-CG 3.45Å; K12-M43 VanDerWaalsContact CB-CG 3.45Å; K12-M43 HydrophobicContact CB-SD 3.71Å; K12-M43 HydrophobicContact CD-SD 4.19Å; K12-P62 PolarHBondContact NZ-O 2.8Å; K12-N63 PolarHBondContact NZ-OD1 2.74Å; K12-R119 WeakPolarHBondContact CA-O 3.44Å
13E98.3Very high95.8Very high8 Ų845.4 Ų45.44%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-92.3145.9169.8-60.3170.9126.900109.4F38 R95 F118 R119 T121 G122 Y123E13-F38 HydrophobicContact CB-CE1 4.34Å; E13-F38 HydrophobicContact CB-CZ 4.06Å; E13-F38 HydrophobicContact CG-CE1 4.46Å; E13-F38 HydrophobicContact CG-CZ 4.36Å; E13-R95 VanDerWaalsContact CD-NE 3.35Å; E13-R95 WeakPolarHBondContact OE1-CD 3.47Å; E13-R95 WeakPolarHBondContact OE1-CG 3.35Å; E13-R95 IonicContact OE1-NE 2.94Å; E13-R95 PolarHBondContact OE1-NE 2.88Å; E13-R95 IonicContact OE2-CZ 3.17Å; E13-R95 IonicContact OE2-NE 2.75Å; E13-R95 PolarHBondContact OE2-NE 2.94Å; E13-R95 IonicContact OE2-NH2 3.03Å; E13-R95 PolarHBondContact OE2-NH2 3.08Å; E13-F118 HydrophobicContact CG-CB 4.43Å; E13-F118 HydrophobicContact CG-CD1 4.08Å; E13-R119 PolarHBondContact N-O 3.26Å; E13-T121 PolarHBondContact O-N 3.33Å; E13-G122 PolarHBondContact O-N 3.07Å; E13-Y123 WeakPolarHBondContact CB-OH 3.19Å
14S98.1Very high96.3Very high20 Ų2051.2 Ų51.214%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-142.9137.7-177.1-162.40000108.8F38 S39 G122S14-F38 WeakPolarHBondContact O-CA 3.25Å; S14-S39 PolarHBondContact N-O 2.89Å; S14-S39 PolarHBondContact O-N 3.29Å; S14-S39 VanDerWaalsContact O-O 3.04Å; S14-G122 CarbonylContact C-O 3.5Å; S14-G122 WeakPolarHBondContact CA-O 3.31Å; S14-G122 WeakPolarHBondContact CB-O 3.17Å; S14-G122 WeakPolarHBondContact OG-CA 3.41Å; S14-G122 PolarHBondContact OG-O 2.64Å
15C98.1Very high96.7Very high1 Ų156 Ų561%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-140.3129.6170.7-173.20000108.2V36 R37 F38 G122 Y123 L127C15-V36 WeakPolarHBondContact SG-CG1 3.12Å; C15-R37 VanDerWaalsContact CA-O 3.27Å; C15-R37 WeakPolarHBondContact CA-O 3.39Å; C15-F38 HydrophobicContact CB-CD2 3.68Å; C15-F38 HydrophobicContact CB-CE2 4.2Å; C15-F38 HydrophobicContact CB-CG 4.4Å; C15-G122 PolarHBondContact N-O 2.88Å; C15-Y123 HydrophobicContact CB-CD1 3.53Å; C15-Y123 HydrophobicContact CB-CE1 3.38Å; C15-Y123 VanDerWaalsContact N-CD1 3.32Å; C15-L127 HydrophobicContact CB-CD2 3.74Å; C15-L127 WeakPolarHBondContact O-CD2 3.5Å
16D96Very high97.1Very high55 Ų5558.5 Ų58.529%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-134.5131-17858.5-39.1000110.8R37D16-R37 PolarHBondContact N-O 3.49Å; D16-R37 VanDerWaalsContact N-O 3.1Å; D16-R37 PolarHBondContact O-N 3.22Å; D16-R37 IonicContact OD1-CZ 3.37Å; D16-R37 IonicContact OD1-NE 3.64Å; D16-R37 PolarHBondContact OD1-NE 3.22Å; D16-R37 IonicContact OD1-NH2 2.82Å; D16-R37 PolarHBondContact OD1-NH2 3.34Å; D16-R37 VanDerWaalsContact OD1-O 3.11Å; D16-R37 IonicContact OD2-CZ 3.89Å; D16-R37 IonicContact OD2-NE 3.75Å; D16-R37 IonicContact OD2-NH2 3.28Å; D16-R37 PolarHBondContact OD2-NH2 2.84Å
17G96.3Very high97.2Very high30 Ų3063 Ų6331%0.30937%0.371SS..EExtended strand (participates in β ladder)trans-77.5141.7165.200000111.4A35 E78G17-A35 CarbonylContact C-O 3.27Å; G17-A35 WeakPolarHBondContact CA-O 3.34Å; G17-E78 VanDerWaalsContact CA-OE2 3.23Å; G17-E78 WeakPolarHBondContact CA-OE2 3.5Å; G17-E78 PolarHBondContact N-OE2 2.84Å; G17-E78 VanDerWaalsContact N-OE2 3.08Å
18M97Very high97.1Very high111 Ų11164.9 Ų64.955%0.54739%0.394SS..EExtended strand (participates in β ladder)trans-126.1119.6176.4-174.81676400108.7V21 K34 A35M18-V21 HydrophobicContact CB-CG2 4.21Å; M18-V21 HydrophobicContact CE-CG2 3.6Å; M18-V21 HydrophobicContact CG-CG2 3.83Å; M18-V21 HydrophobicContact SD-CG2 4.41Å; M18-K34 CarbonylContact O-C 3.45Å; M18-K34 VanDerWaalsContact O-CA 3.31Å; M18-K34 WeakPolarHBondContact O-CA 3.5Å; M18-A35 HydrophobicContact CE-CB 4.27Å; M18-A35 PolarHBondContact N-O 3.39Å; M18-A35 PolarHBondContact O-N 2.89Å
19G95.6Very high97.1Very high43 Ų4368.6 Ų68.644%0.44342%0.419SS..  trans-80.7176.9170.200000112.6V21G19-V21 VanDerWaalsContact C-N 3.26Å; G19-V21 WeakPolarHBondContact O-CG2 3.45Å; G19-V21 PolarHBondContact O-N 3.46Å
20D96.5Very high97Very high163 Ų16372.9 Ų72.987%0.87246%0.455SS*.  trans56.137174.2-55.4-33.4000113.8E33D20-E33 PolarHBondContact N-O 3.47Å
21V97.9Very high97Very high31 Ų3174.4 Ų74.419%0.18846%0.464CS..  trans-97.990.4178.4-173.90000109.3M18 G19 E23 E33 A35 L75M18-V21 HydrophobicContact CB-CG2 4.21Å; M18-V21 HydrophobicContact CE-CG2 3.6Å; M18-V21 HydrophobicContact CG-CG2 3.83Å; M18-V21 HydrophobicContact SD-CG2 4.41Å; G19-V21 VanDerWaalsContact C-N 3.26Å; G19-V21 WeakPolarHBondContact O-CG2 3.45Å; G19-V21 PolarHBondContact O-N 3.46Å; V21-E23 PolarHBondContact O-N 3.43Å; V21-E33 PolarHBondContact N-O 2.83Å; V21-E33 CarbonylContact O-C 3.58Å; V21-E33 VanDerWaalsContact O-C 3.27Å; V21-E33 WeakPolarHBondContact O-CA 3.42Å; V21-E33 WeakPolarHBondContact O-CB 3.5Å; V21-A35 HydrophobicContact CB-CB 4.46Å; V21-A35 HydrophobicContact CG1-CB 4.32Å; V21-A35 HydrophobicContact CG2-CB 3.95Å; V21-L75 HydrophobicContact CG1-CD2 3.95Å
22S97.6Very high96.9Very high92 Ų9276.9 Ų76.964%0.64348%0.481SS*.PPolyproline II helixtrans-55.9129.3-173.7-550000113.5
23E97.5Very high96.9Very high86 Ų8681 Ų8140%0.40250%0.5SS..PPolyproline II helixtrans-64.1142.5171.7-177.8178.6-150.400109.7V21 A30 V31 E33V21-E23 PolarHBondContact O-N 3.43Å; E23-A30 WeakPolarHBondContact OE1-CA 3.48Å; E23-V31 HydrophobicContact CG-CG2 3.84Å; E23-V31 PolarHBondContact OE1-N 2.89Å; E23-E33 HydrophobicContact CB-CG 4.23Å; E23-E33 PolarHBondContact N-OE1 3.35Å
24K97.5Very high96.9Very high183 Ų18384.2 Ų84.280%0.79651%0.514SS*.PPolyproline II helixtrans-94.9144.2174.9-64.6-172.9-174.9-59.70110
25H96.7Very high96.9Very high204 Ų20484 Ų8494%0.94451%0.513SS*.PPolyproline II helixtrans-55.5145.4161.1-57.6-49.7000110.4
26G96.2Very high96.9Very high73 Ų7384 Ų8475%0.75351%0.513SS*.SBendtrans164.9-168.8178.700000113.2
27S95.6Very high97Very high132 Ų13286.5 Ų86.592%0.92352%0.518SS*.SBendtrans-92.9-3.6-179.559.10000114.2
28G94.3Very high97.1Very high55 Ų5585.1 Ų85.157%0.56750%0.504SS*.SBendtrans-69.7169-176.500000112.9
29P96.3Very high97.2Very high108 Ų10880 Ų8070%0.70148%0.479SS*.PPolyproline II helixtrans-60.9157166.930.6-35.1000109.9V31P29-V31 PolarHBondContact O-N 3.44Å
30A97.1Very high97.3Very high96 Ų9680.6 Ų80.679%0.79347%0.47SS*.PPolyproline II helixtrans-61.6130.6169.100000109.3E23E23-A30 WeakPolarHBondContact OE1-CA 3.48Å
31V97.6Very high97.4Very high42 Ų4272.9 Ų72.926%0.25543%0.428SS..  trans-125.2151.1-179.3-69.90000110.2E23 P29 L75E23-V31 HydrophobicContact CG-CG2 3.84Å; E23-V31 PolarHBondContact OE1-N 2.89Å; P29-V31 PolarHBondContact O-N 3.44Å; V31-L75 HydrophobicContact CB-CB 4.03Å; V31-L75 HydrophobicContact CB-CD1 4.45Å; V31-L75 HydrophobicContact CG1-CB 4.34Å; V31-L75 HydrophobicContact CG2-CB 4.28Å; V31-L75 HydrophobicContact CG2-CD1 3.85Å
32P97.3Very high97.5Very high58 Ų5873.6 Ų73.638%0.37743%0.432SS..  trans-65.4154.317728.1-34.8000111.2K34P32-K34 HydrophobicContact CB-CB 4.45Å; P32-K34 PolarHBondContact O-N 3.02Å
33E97.8Very high97.5Very high111 Ų11171.6 Ų71.652%0.51941%0.414SS..SBendtrans-78.343.7171.1-60.9-161.1130.400112.5D20 V21 E23D20-E33 PolarHBondContact N-O 3.47Å; V21-E33 PolarHBondContact N-O 2.83Å; V21-E33 CarbonylContact O-C 3.58Å; V21-E33 VanDerWaalsContact O-C 3.27Å; V21-E33 WeakPolarHBondContact O-CA 3.42Å; V21-E33 WeakPolarHBondContact O-CB 3.5Å; E23-E33 HydrophobicContact CB-CG 4.23Å; E23-E33 PolarHBondContact N-OE1 3.35Å
34K97.9Very high97.5Very high75 Ų7571.7 Ų71.733%0.32641%0.41SS..  trans-140.7152.9-179.2-67-177.6172.6-178.20108.8M18 P32 L75 A76 D77M18-K34 CarbonylContact O-C 3.45Å; M18-K34 VanDerWaalsContact O-CA 3.31Å; M18-K34 WeakPolarHBondContact O-CA 3.5Å; P32-K34 HydrophobicContact CB-CB 4.45Å; P32-K34 PolarHBondContact O-N 3.02Å; K34-L75 CarbonylContact O-C 3.46Å; K34-L75 WeakPolarHBondContact O-CA 3.31Å; K34-A76 CarbonylContact C-O 3.6Å; K34-A76 WeakPolarHBondContact CB-O 3.26Å; K34-A76 PolarHBondContact O-N 2.89Å; K34-D77 HydrophobicContact CD-CB 3.82Å; K34-D77 VanDerWaalsContact CD-OD1 3.28Å; K34-D77 WeakPolarHBondContact CD-OD1 3.37Å; K34-D77 WeakPolarHBondContact CD-OD2 3.28Å; K34-D77 IonicContact NZ-OD1 3.9Å; K34-D77 PolarHBondContact NZ-OD1 2.98Å; K34-D77 IonicContact NZ-OD2 2.95Å; K34-D77 PolarHBondContact NZ-OD2 3.09Å
35A98.1Very high97.5Very high14 Ų1464.8 Ų64.812%0.11638%0.382CS..EExtended strand (participates in β ladder)trans-129.6153.3172.300000110.6G17 M18 V21 M74 L75 A76G17-A35 CarbonylContact C-O 3.27Å; G17-A35 WeakPolarHBondContact CA-O 3.34Å; M18-A35 HydrophobicContact CE-CB 4.27Å; M18-A35 PolarHBondContact N-O 3.39Å; M18-A35 PolarHBondContact O-N 2.89Å; V21-A35 HydrophobicContact CB-CB 4.46Å; V21-A35 HydrophobicContact CG1-CB 4.32Å; V21-A35 HydrophobicContact CG2-CB 3.95Å; A35-M74 CarbonylContact C-O 3.52Å; A35-M74 WeakPolarHBondContact CA-O 3.38Å; A35-M74 WeakPolarHBondContact CB-O 3.41Å; A35-L75 HydrophobicContact CB-CD2 4.14Å; A35-A76 CarbonylContact C-O 3.51Å; A35-A76 PolarHBondContact N-O 3.09Å
36V98.3Very high97.5Very high1 Ų155.9 Ų55.91%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-119.7134.5165.8179.30000107.7C15 M74 E78 L84C15-V36 WeakPolarHBondContact SG-CG1 3.12Å; V36-M74 HydrophobicContact CB-CE 4.43Å; V36-M74 HydrophobicContact CB-CG 3.6Å; V36-M74 HydrophobicContact CB-SD 3.95Å; V36-M74 HydrophobicContact CG1-CE 4.36Å; V36-M74 HydrophobicContact CG1-CG 4.47Å; V36-M74 HydrophobicContact CG1-SD 4.39Å; V36-M74 HydrophobicContact CG2-CG 4.43Å; V36-M74 PolarHBondContact N-O 2.87Å; V36-M74 WeakPolarHBondContact O-CG 3.49Å; V36-M74 PolarHBondContact O-N 3.03Å; V36-E78 HydrophobicContact CG2-CB 3.82Å; V36-L84 HydrophobicContact CB-CD1 4.5Å; V36-L84 HydrophobicContact CG1-CD1 3.95Å; V36-L84 HydrophobicContact CG2-CD1 4.33Å
37R98.4Very high97.4Very high108 Ų10852.8 Ų52.841%0.40831%0.308SS..EExtended strand (participates in β ladder)trans-118.6116176.8171.4179.171.5165.4-0.1109.4C15 D16 S39 C72 L73C15-R37 VanDerWaalsContact CA-O 3.27Å; C15-R37 WeakPolarHBondContact CA-O 3.39Å; D16-R37 PolarHBondContact N-O 3.49Å; D16-R37 VanDerWaalsContact N-O 3.1Å; D16-R37 PolarHBondContact O-N 3.22Å; D16-R37 IonicContact OD1-CZ 3.37Å; D16-R37 IonicContact OD1-NE 3.64Å; D16-R37 PolarHBondContact OD1-NE 3.22Å; D16-R37 IonicContact OD1-NH2 2.82Å; D16-R37 PolarHBondContact OD1-NH2 3.34Å; D16-R37 VanDerWaalsContact OD1-O 3.11Å; D16-R37 IonicContact OD2-CZ 3.89Å; D16-R37 IonicContact OD2-NE 3.75Å; D16-R37 IonicContact OD2-NH2 3.28Å; D16-R37 PolarHBondContact OD2-NH2 2.84Å; R37-S39 VanDerWaalsContact CG-OG 3.32Å; R37-S39 WeakPolarHBondContact CG-OG 3.25Å; R37-C72 WeakPolarHBondContact CA-O 3.46Å; R37-L73 HydrophobicContact CB-CD2 3.89Å; R37-L73 HydrophobicContact CG-CD2 3.54Å
38F98.6Very high96.9Very high2 Ų252 Ų521%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-94127.8166-160.5-78.4000109.6E13 S14 C15 L71 C72 L88 L91 Y123 I201E13-F38 HydrophobicContact CB-CE1 4.34Å; E13-F38 HydrophobicContact CB-CZ 4.06Å; E13-F38 HydrophobicContact CG-CE1 4.46Å; E13-F38 HydrophobicContact CG-CZ 4.36Å; S14-F38 WeakPolarHBondContact O-CA 3.25Å; C15-F38 HydrophobicContact CB-CD2 3.68Å; C15-F38 HydrophobicContact CB-CE2 4.2Å; C15-F38 HydrophobicContact CB-CG 4.4Å; F38-L71 HydrophobicContact CD1-CB 4.37Å; F38-L71 HydrophobicContact CD1-CD2 4.14Å; F38-L71 HydrophobicContact CE1-CD2 4.29Å; F38-L71 PolarHBondContact O-N 3.34Å; F38-C72 HydrophobicContact CB-CB 3.99Å; F38-C72 PolarHBondContact N-O 3.45Å; F38-C72 PolarHBondContact O-N 2.83Å; F38-L88 HydrophobicContact CB-CD2 4.02Å; F38-L88 HydrophobicContact CD2-CD1 4.16Å; F38-L88 HydrophobicContact CD2-CD2 3.93Å; F38-L88 HydrophobicContact CG-CD2 4.21Å; F38-L91 HydrophobicContact CB-CD1 4.43Å; F38-L91 HydrophobicContact CD1-CD1 4.27Å; F38-L91 HydrophobicContact CG-CD1 4.29Å; F38-Y123 HydrophobicContact CE2-CE1 4.27Å; F38-I201 HydrophobicContact CE2-CD1 4.47Å
39S98.6Very high96.3Very high2 Ų255 Ų551%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-138.2165.1-177.7-57.50000111.1S14 R37 C68 K69S14-S39 PolarHBondContact N-O 2.89Å; S14-S39 PolarHBondContact O-N 3.29Å; S14-S39 VanDerWaalsContact O-O 3.04Å; R37-S39 VanDerWaalsContact CG-OG 3.32Å; R37-S39 WeakPolarHBondContact CG-OG 3.25Å; S39-C68 WeakPolarHBondContact CB-SG 3.48Å; S39-K69 CarbonylContact C-O 3.33Å; S39-K69 WeakPolarHBondContact CA-O 3.32Å; S39-K69 VanDerWaalsContact CB-O 3.29Å; S39-K69 WeakPolarHBondContact CB-O 3.4Å
40F98.6Very high95.6Very high57 Ų5753 Ų5325%0.2529%0.288CS..EExtended strand (participates in β ladder)trans-140.3155.6172.671-82.7000112V11 K12 V42 K69 L71V11-F40 HydrophobicContact CG1-CB 3.73Å; V11-F40 HydrophobicContact CG1-CD2 3.9Å; V11-F40 HydrophobicContact CG1-CG 4.21Å; K12-F40 CarbonylContact O-C 3.55Å; K12-F40 WeakPolarHBondContact O-CA 3.36Å; F40-V42 HydrophobicContact CE2-CG2 4.44Å; F40-K69 HydrophobicContact CD1-CB 4.24Å; F40-K69 HydrophobicContact CE1-CB 3.87Å; F40-K69 HydrophobicContact CE2-CB 4.24Å; F40-K69 HydrophobicContact CE2-CG 4.44Å; F40-K69 HydrophobicContact CZ-CB 3.87Å; F40-K69 HydrophobicContact CZ-CG 4.37Å; F40-K69 PolarHBondContact N-O 3Å; F40-K69 WeakPolarHBondContact O-CB 3.23Å; F40-K69 PolarHBondContact O-N 3.3Å; F40-L71 HydrophobicContact CD1-CB 3.96Å; F40-L71 HydrophobicContact CD1-CD2 4.16Å; F40-L71 HydrophobicContact CD1-CG 4.5Å; F40-L71 HydrophobicContact CE1-CB 4.18Å; F40-L71 HydrophobicContact CE1-CD1 4.27Å
41T98.7Very high94.6Very high0 Ų054.1 Ų54.10%029%0.29CS..EExtended strand (participates in β ladder)trans-128.9127.2173.7-58.60000108.5V11 K12 M43 E59 C67 C68V11-T41 CarbonylContact C-O 3.57Å; V11-T41 WeakPolarHBondContact CA-O 3.39Å; K12-T41 PolarHBondContact N-O 3.26Å; K12-T41 PolarHBondContact O-N 2.96Å; T41-M43 HydrophobicContact CG2-SD 3.92Å; T41-M43 PolarHBondContact O-N 3.39Å; T41-M43 VanDerWaalsContact O-N 3.15Å; T41-E59 HydrophobicContact CG2-CG 4.33Å; T41-C67 HydrophobicContact CG2-CB 3.88Å; T41-C67 VanDerWaalsContact CG2-SG 3.56Å; T41-C68 WeakPolarHBondContact OG1-CA 3.47Å
42V98.5Very high93.6Very high46 Ų4658.6 Ų58.628%0.27931%0.308SS..EExtended strand (participates in β ladder)trans-72.6108167.5176.60000107.3V9 F40 I45 F57V9-V42 HydrophobicContact CG1-CG1 3.75Å; V9-V42 HydrophobicContact CG1-CG2 4.37Å; F40-V42 HydrophobicContact CE2-CG2 4.44Å; V42-I45 HydrophobicContact CG1-CD1 4.14Å; V42-I45 HydrophobicContact CG1-CG1 3.93Å; V42-F57 HydrophobicContact CG1-CD1 4.39Å; V42-F57 HydrophobicContact CG1-CE1 4.22Å; V42-F57 WeakPolarHBondContact O-CE1 3.35Å
43M98.3Very high92.9Very high51 Ų5161.1 Ų61.125%0.25132%0.318SS..EExtended strand (participates in β ladder)trans-84.3-44.2-173.5-67.2-68.8-63.600111.7V10 K12 T41 E58 E59 P62V10-M43 HydrophobicContact CG1-CB 4.49Å; V10-M43 WeakPolarHBondContact O-CB 3.41Å; V10-M43 PolarHBondContact O-N 2.9Å; K12-M43 HydrophobicContact CB-CG 3.45Å; K12-M43 VanDerWaalsContact CB-CG 3.45Å; K12-M43 HydrophobicContact CB-SD 3.71Å; K12-M43 HydrophobicContact CD-SD 4.19Å; T41-M43 HydrophobicContact CG2-SD 3.92Å; T41-M43 PolarHBondContact O-N 3.39Å; T41-M43 VanDerWaalsContact O-N 3.15Å; M43-E58 WeakPolarHBondContact O-CA 3.44Å; M43-E59 PolarHBondContact O-N 2.78Å; M43-P62 HydrophobicContact CE-CB 3.33Å; M43-P62 HydrophobicContact CE-CG 4.12Å; M43-P62 HydrophobicContact SD-CB 3.56Å; M43-P62 VanDerWaalsContact SD-CB 3.56Å
44R97.6Very high92.6Very high88 Ų8858.9 Ų58.933%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-154.7139.5-172-175.7169.364.2-148.84110.6V10 T46 K55 F57 E58V10-R44 HydrophobicContact CB-CB 4.3Å; V10-R44 HydrophobicContact CG2-CB 4.47Å; V10-R44 PolarHBondContact N-O 2.81Å; V10-R44 PolarHBondContact O-N 2.93Å; R44-T46 HydrophobicContact CG-CG2 4.02Å; R44-K55 HydrophobicContact CG-CG 4.23Å; R44-F57 CarbonylContact C-O 3.6Å; R44-F57 WeakPolarHBondContact CA-O 3.22Å; R44-F57 WeakPolarHBondContact CG-O 3.37Å; R44-E58 IonicContact NH1-OE1 3.91Å
45I97.5Very high92.3Very high37 Ų3761 Ų6119%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-120.2122.5169.7-53.4173.1000107.5F7 T8 V9 V42 V56 F57F7-I45 HydrophobicContact CB-CG2 4.09Å; F7-I45 HydrophobicContact CD1-CG2 3.98Å; F7-I45 HydrophobicContact CG-CG2 4.47Å; T8-I45 WeakPolarHBondContact O-CA 3.29Å; V9-I45 HydrophobicContact CG1-CG1 4.28Å; V9-I45 HydrophobicContact CG2-CG1 4.33Å; V9-I45 HydrophobicContact CG2-CG2 4.41Å; V42-I45 HydrophobicContact CG1-CD1 4.14Å; V42-I45 HydrophobicContact CG1-CG1 3.93Å; I45-V56 WeakPolarHBondContact O-CB 3.4Å; I45-V56 PolarHBondContact O-N 2.77Å; I45-F57 HydrophobicContact CB-CB 4.06Å; I45-F57 HydrophobicContact CD1-CB 4.23Å; I45-F57 HydrophobicContact CD1-CD1 4.23Å; I45-F57 HydrophobicContact CD1-CG 4.48Å; I45-F57 HydrophobicContact CG1-CB 4.23Å; I45-F57 HydrophobicContact CG1-CD1 4.08Å; I45-F57 PolarHBondContact N-O 3.15Å; I45-F57 PolarHBondContact O-N 2.79Å; I45-F57 VanDerWaalsContact O-N 3.09Å
46T96.5Very high92.1Very high17 Ų1764.4 Ų64.410%0.10434%0.34CS..EExtended strand (participates in β ladder)trans-120.2154.7174.650.10000110.1F7 T8 R44 V54 K55F7-T46 CarbonylContact C-O 3.52Å; F7-T46 VanDerWaalsContact CA-O 3.25Å; F7-T46 WeakPolarHBondContact CA-O 3.48Å; T8-T46 PolarHBondContact N-O 2.78Å; T8-T46 PolarHBondContact O-N 2.73Å; R44-T46 HydrophobicContact CG-CG2 4.02Å; T46-V54 CarbonylContact C-O 3.49Å; T46-V54 WeakPolarHBondContact CA-O 3.21Å; T46-V54 WeakPolarHBondContact CB-O 3.45Å; T46-K55 HydrophobicContact CG2-CB 4.31Å; T46-K55 HydrophobicContact CG2-CG 4.47Å
47I94.1Very high92.1Very high8 Ų868 Ų684%0.04136%0.356CS..EExtended strand (participates in β ladder)trans-123.8138.5168.5-175.9160.6000109L3 F7 H49 V54 V56L3-I47 HydrophobicContact CB-CD1 3.58Å; L3-I47 HydrophobicContact CD1-CD1 3.78Å; L3-I47 HydrophobicContact CD1-CG2 4.31Å; L3-I47 HydrophobicContact CG-CD1 4.26Å; F7-I47 HydrophobicContact CD1-CB 3.81Å; F7-I47 HydrophobicContact CD1-CD1 4.13Å; F7-I47 HydrophobicContact CD1-CG1 4.38Å; F7-I47 HydrophobicContact CD2-CD1 4.2Å; F7-I47 HydrophobicContact CE1-CB 3.93Å; F7-I47 HydrophobicContact CE1-CD1 3.72Å; F7-I47 HydrophobicContact CE1-CG1 4.36Å; F7-I47 HydrophobicContact CE1-CG2 4.39Å; F7-I47 HydrophobicContact CE2-CD1 3.77Å; F7-I47 HydrophobicContact CG-CB 4.41Å; F7-I47 HydrophobicContact CG-CD1 4.36Å; F7-I47 HydrophobicContact CZ-CD1 3.53Å; I47-H49 PolarHBondContact O-N 2.85Å; I47-V54 HydrophobicContact CG2-CB 4.16Å; I47-V54 PolarHBondContact N-O 2.83Å; I47-V54 PolarHBondContact O-N 2.8Å; I47-V56 HydrophobicContact CB-CG2 4.31Å; I47-V56 HydrophobicContact CG2-CG2 3.7Å
48E85.8Confident92Very high116 Ų11667 Ų6754%0.54236%0.356SS..EExtended strand (participates in β ladder)trans-75.9118.9171.2-169.6168.6-15700108.8
49H81.5Confident92Very high117 Ų11768.9 Ų68.954%0.54237%0.365SS..EExtended strand (participates in β ladder)trans-126.292.2178.2-171.8-100.8000108.9I47 S51 Q52 V54I47-H49 PolarHBondContact O-N 2.85Å; H49-S51 PolarHBondContact O-N 3.08Å; H49-Q52 PolarHBondContact N-O 3.16Å; H49-Q52 PolarHBondContact O-N 3.4Å; H49-V54 HydrophobicContact CB-CG2 3.95Å
50G80.3Confident92Very high67 Ų6773.9 Ų73.969%0.69140%0.397SS*.THydrogen-bonded Turntrans72-120.9-170.300000110.9
51S76.9Confident92Very high120 Ų12078.2 Ų78.284%0.83942%0.416SS*.THydrogen-bonded Turntrans-95.43.517857.80000114.3H49H49-S51 PolarHBondContact O-N 3.08Å
52Q77Confident91.8Very high136 Ų13680.1 Ų80.164%0.63643%0.428SS*.EExtended strand (participates in β ladder)trans-117.8135.1-175.6-65.7-174.8-2.900111.7H49 V54H49-Q52 PolarHBondContact N-O 3.16Å; H49-Q52 PolarHBondContact O-N 3.4Å; Q52-V54 PolarHBondContact O-N 3.15Å
53N82.6Confident91.6Very high110 Ų11084.4 Ų84.459%0.58845%0.45SS*.EExtended strand (participates in β ladder)trans-83.2104.3167.2-77.7-44.5000109.3
54V90.3Very high91.5Very high64 Ų6483 Ų8339%0.38845%0.445SS..EExtended strand (participates in β ladder)trans-83.9126178.2-179.50000109.1T46 I47 H49 Q52 V56T46-V54 CarbonylContact C-O 3.49Å; T46-V54 WeakPolarHBondContact CA-O 3.21Å; T46-V54 WeakPolarHBondContact CB-O 3.45Å; I47-V54 HydrophobicContact CG2-CB 4.16Å; I47-V54 PolarHBondContact N-O 2.83Å; I47-V54 PolarHBondContact O-N 2.8Å; H49-V54 HydrophobicContact CB-CG2 3.95Å; Q52-V54 PolarHBondContact O-N 3.15Å; V54-V56 PolarHBondContact O-N 2.86Å
55K92.4Very high91.4Very high120 Ų12086.1 Ų86.152%0.52246%0.463SS..EExtended strand (participates in β ladder)trans-79.2114.2177.1-169.1177.475.1178.40110.4R44 T46 E58R44-K55 HydrophobicContact CG-CG 4.23Å; T46-K55 HydrophobicContact CG2-CB 4.31Å; T46-K55 HydrophobicContact CG2-CG 4.47Å; K55-E58 HydrophobicContact CD-CB 3.94Å; K55-E58 HydrophobicContact CD-CG 4.5Å; K55-E58 WeakPolarHBondContact CD-OE2 3.48Å; K55-E58 WeakPolarHBondContact CE-OE2 3.3Å; K55-E58 HydrophobicContact CG-CB 4.43Å; K55-E58 IonicContact NZ-OE2 2.64Å; K55-E58 PolarHBondContact NZ-OE2 2.81Å
56V94.4Very high91.4Very high85 Ų8590.8 Ų90.852%0.51549%0.488SS..EExtended strand (participates in β ladder)trans-92.4-38.9-178.9-177.20000110.9F7 I45 I47 V54F7-V56 HydrophobicContact CD1-CG2 4.35Å; F7-V56 HydrophobicContact CE1-CG2 4.16Å; I45-V56 WeakPolarHBondContact O-CB 3.4Å; I45-V56 PolarHBondContact O-N 2.77Å; I47-V56 HydrophobicContact CB-CG2 4.31Å; I47-V56 HydrophobicContact CG2-CG2 3.7Å; V54-V56 PolarHBondContact O-N 2.86Å
57F96.8Very high91.5Very high76 Ų7690.5 Ų90.533%0.33349%0.486SS..EExtended strand (participates in β ladder)trans-144.8145.6178.8168.4-95.1000109.9V42 R44 I45 E59V42-F57 HydrophobicContact CG1-CD1 4.39Å; V42-F57 HydrophobicContact CG1-CE1 4.22Å; V42-F57 WeakPolarHBondContact O-CE1 3.35Å; R44-F57 CarbonylContact C-O 3.6Å; R44-F57 WeakPolarHBondContact CA-O 3.22Å; R44-F57 WeakPolarHBondContact CG-O 3.37Å; I45-F57 HydrophobicContact CB-CB 4.06Å; I45-F57 HydrophobicContact CD1-CB 4.23Å; I45-F57 HydrophobicContact CD1-CD1 4.23Å; I45-F57 HydrophobicContact CD1-CG 4.48Å; I45-F57 HydrophobicContact CG1-CB 4.23Å; I45-F57 HydrophobicContact CG1-CD1 4.08Å; I45-F57 PolarHBondContact N-O 3.15Å; I45-F57 PolarHBondContact O-N 2.79Å; I45-F57 VanDerWaalsContact O-N 3.09Å; F57-E59 HydrophobicContact CE1-CB 4.2Å; F57-E59 HydrophobicContact CZ-CB 4.09Å
58E98.1Very high91.6Very high87 Ų8791.4 Ų91.441%0.40749%0.493SS..EExtended strand (participates in β ladder)trans-145.9133167.5-172.8161.2-12500108.5M43 R44 K55 P60M43-E58 WeakPolarHBondContact O-CA 3.44Å; R44-E58 IonicContact NH1-OE1 3.91Å; K55-E58 HydrophobicContact CD-CB 3.94Å; K55-E58 HydrophobicContact CD-CG 4.5Å; K55-E58 WeakPolarHBondContact CD-OE2 3.48Å; K55-E58 WeakPolarHBondContact CE-OE2 3.3Å; K55-E58 HydrophobicContact CG-CB 4.43Å; K55-E58 IonicContact NZ-OE2 2.64Å; K55-E58 PolarHBondContact NZ-OE2 2.81Å; E58-P60 VanDerWaalsContact O-CD 3.25Å; E58-P60 WeakPolarHBondContact O-CD 2.71Å
59E98.3Very high92.2Very high42 Ų4291.2 Ų91.220%0.19649%0.491CS..  trans-69.2114.9-179.8175.651.3-115.900109.5T41 M43 F57 K61 P62 C67T41-E59 HydrophobicContact CG2-CG 4.33Å; M43-E59 PolarHBondContact O-N 2.78Å; F57-E59 HydrophobicContact CE1-CB 4.2Å; F57-E59 HydrophobicContact CZ-CB 4.09Å; E59-K61 VanDerWaalsContact C-N 3.27Å; E59-K61 PolarHBondContact O-N 2.77Å; E59-K61 PolarHBondContact OE1-N 3.45Å; E59-P62 HydrophobicContact CG-CB 4.3Å; E59-C67 HydrophobicContact CG-CB 3.9Å; E59-C67 WeakPolarHBondContact OE2-CB 3.48Å
60P97.9Very high93Very high108 Ų10889.5 Ų89.570%0.70149%0.49SS*.SBendtrans-67.7-26.2-17727-37.4000113.3E58E58-P60 VanDerWaalsContact O-CD 3.25Å; E58-P60 WeakPolarHBondContact O-CD 2.71Å
61K97.8Very high93.9Very high148 Ų14890.6 Ų90.664%0.64348%0.479SS*.  trans-131.874-178.6-62.9-175-178.9-177.90110E59 N63 S64 C67E59-K61 VanDerWaalsContact C-N 3.27Å; E59-K61 PolarHBondContact O-N 2.77Å; E59-K61 PolarHBondContact OE1-N 3.45Å; K61-N63 PolarHBondContact O-N 2.93Å; K61-S64 WeakPolarHBondContact O-CB 3.43Å; K61-S64 PolarHBondContact O-N 2.99Å; K61-C67 PolarHBondContact O-SG 3.28Å
62P95.1Very high94.9Very high39 Ų3986 Ų8625%0.25345%0.447SS..THydrogen-bonded Turntrans-66.5-11.3-169.726.4-36.1000115.3K12 M43 E59K12-P62 PolarHBondContact NZ-O 2.8Å; M43-P62 HydrophobicContact CE-CB 3.33Å; M43-P62 HydrophobicContact CE-CG 4.12Å; M43-P62 HydrophobicContact SD-CB 3.56Å; M43-P62 VanDerWaalsContact SD-CB 3.56Å; E59-P62 HydrophobicContact CG-CB 4.3Å
63N94.2Very high95.9Very high136 Ų13685.6 Ų85.673%0.72745%0.449SS*.THydrogen-bonded Turntrans-10911.6176.3-61.2-26.5000112.2K12 K61K12-N63 PolarHBondContact NZ-OD1 2.74Å; K61-N63 PolarHBondContact O-N 2.93Å
64S97Very high96.6Very high22 Ų2281 Ų8115%0.15442%0.424CS..  trans-72.1139.3172.2-1800000110.6K61 L66 C67 C68K61-S64 WeakPolarHBondContact O-CB 3.43Å; K61-S64 PolarHBondContact O-N 2.99Å; S64-L66 PolarHBondContact O-N 2.83Å; S64-L66 VanDerWaalsContact O-N 3.16Å; S64-L66 WeakPolarHBondContact OG-CB 3.29Å; S64-L66 PolarHBondContact OG-N 2.82Å; S64-C67 PolarHBondContact O-N 2.74Å; S64-C67 PolarHBondContact O-SG 2.89Å; S64-C68 PolarHBondContact O-N 2.85Å
65E95.6Very high97Very high154 Ų15482.2 Ų82.272%0.7243%0.428SS*.THydrogen-bonded Turntrans-58.9-24.6170.670.1-76.9-177.300112.4C67E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 2.87Å
66L97.6Very high97.3Very high134 Ų13476.6 Ų76.670%0.70240%0.403SS*.THydrogen-bonded Turntrans-71.4-28.3-179.3-59.1177.8000113.2S64 K69S64-L66 PolarHBondContact O-N 2.83Å; S64-L66 VanDerWaalsContact O-N 3.16Å; S64-L66 WeakPolarHBondContact OG-CB 3.29Å; S64-L66 PolarHBondContact OG-N 2.82Å; L66-K69 PolarHBondContact O-NZ 3.37Å
67C97.4Very high97.4Very high11 Ų1174.4 Ų74.47%0.07439%0.389CS..THydrogen-bonded Turntrans-94.7-21.7-178.971.80000112.8T41 E59 K61 S64 E65 K69T41-C67 HydrophobicContact CG2-CB 3.88Å; T41-C67 VanDerWaalsContact CG2-SG 3.56Å; E59-C67 HydrophobicContact CG-CB 3.9Å; E59-C67 WeakPolarHBondContact OE2-CB 3.48Å; K61-C67 PolarHBondContact O-SG 3.28Å; S64-C67 PolarHBondContact O-N 2.74Å; S64-C67 PolarHBondContact O-SG 2.89Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 2.87Å; C67-K69 PolarHBondContact O-N 3.26Å; C67-K69 VanDerWaalsContact O-N 3.15Å
68C97.6Very high97.2Very high28 Ų2871.7 Ų71.719%0.18938%0.377CS..  trans-77.399179.7-158.70000110.8S39 T41 S64S39-C68 WeakPolarHBondContact CB-SG 3.48Å; T41-C68 WeakPolarHBondContact OG1-CA 3.47Å; S64-C68 PolarHBondContact O-N 2.85Å
69K98.4Very high97.1Very high111 Ų11170.4 Ų70.448%0.48338%0.378SS..EExtended strand (participates in β ladder)trans-82.1119.5-179.1-58.7-56.1-177.5-166.70109.8S39 F40 L66 C67S39-K69 CarbonylContact C-O 3.33Å; S39-K69 WeakPolarHBondContact CA-O 3.32Å; S39-K69 VanDerWaalsContact CB-O 3.29Å; S39-K69 WeakPolarHBondContact CB-O 3.4Å; F40-K69 HydrophobicContact CD1-CB 4.24Å; F40-K69 HydrophobicContact CE1-CB 3.87Å; F40-K69 HydrophobicContact CE2-CB 4.24Å; F40-K69 HydrophobicContact CE2-CG 4.44Å; F40-K69 HydrophobicContact CZ-CB 3.87Å; F40-K69 HydrophobicContact CZ-CG 4.37Å; F40-K69 PolarHBondContact N-O 3Å; F40-K69 WeakPolarHBondContact O-CB 3.23Å; F40-K69 PolarHBondContact O-N 3.3Å; L66-K69 PolarHBondContact O-NZ 3.37Å; C67-K69 PolarHBondContact O-N 3.26Å; C67-K69 VanDerWaalsContact O-N 3.15Å
70P98.1Very high97Very high82 Ų8271.2 Ų71.253%0.53238%0.383SS..EExtended strand (participates in β ladder)trans-67.8138.1174.429.6-34000109.8L73P70-L73 HydrophobicContact CB-CD2 4.31Å
71L98.3Very high96.9Very high89 Ų8969.1 Ų69.147%0.46636%0.364SS..EExtended strand (participates in β ladder)trans-119.4-43179.2-178.360.6000111.9F38 F40 L91F38-L71 HydrophobicContact CD1-CB 4.37Å; F38-L71 HydrophobicContact CD1-CD2 4.14Å; F38-L71 HydrophobicContact CE1-CD2 4.29Å; F38-L71 PolarHBondContact O-N 3.34Å; F40-L71 HydrophobicContact CD1-CB 3.96Å; F40-L71 HydrophobicContact CD1-CD2 4.16Å; F40-L71 HydrophobicContact CD1-CG 4.5Å; F40-L71 HydrophobicContact CE1-CB 4.18Å; F40-L71 HydrophobicContact CE1-CD1 4.27Å; L71-L91 HydrophobicContact CD2-CD1 4.32Å; L71-L91 HydrophobicContact CD2-CD2 4.01Å; L71-L91 HydrophobicContact CG-CD1 4.35Å; L71-L91 HydrophobicContact CG-CD2 4.07Å
72C98.5Very high96.9Very high24 Ų2468.8 Ų68.816%0.16237%0.365CS..EExtended strand (participates in β ladder)trans-136.1131.3174-176.80000110.2R37 F38 L88 L91R37-C72 WeakPolarHBondContact CA-O 3.46Å; F38-C72 HydrophobicContact CB-CB 3.99Å; F38-C72 PolarHBondContact N-O 3.45Å; F38-C72 PolarHBondContact O-N 2.83Å; C72-L88 HydrophobicContact CB-CD2 4.48Å; C72-L91 HydrophobicContact CB-CD1 3.53Å
73L98.2Very high97Very high128 Ų12869.3 Ų69.367%0.6737%0.368SS*.EExtended strand (participates in β ladder)trans-121.4120.2174.3-57.7178000107R37 P70R37-L73 HydrophobicContact CB-CD2 3.89Å; R37-L73 HydrophobicContact CG-CD2 3.54Å; P70-L73 HydrophobicContact CB-CD2 4.31Å
74M97.8Very high97.2Very high14 Ų1462.9 Ų62.97%0.06933%0.333CS..EExtended strand (participates in β ladder)trans-129.4142.7179.464.8-17487.500110.6A35 V36 A76 L84 I87 L88A35-M74 CarbonylContact C-O 3.52Å; A35-M74 WeakPolarHBondContact CA-O 3.38Å; A35-M74 WeakPolarHBondContact CB-O 3.41Å; V36-M74 HydrophobicContact CB-CE 4.43Å; V36-M74 HydrophobicContact CB-CG 3.6Å; V36-M74 HydrophobicContact CB-SD 3.95Å; V36-M74 HydrophobicContact CG1-CE 4.36Å; V36-M74 HydrophobicContact CG1-CG 4.47Å; V36-M74 HydrophobicContact CG1-SD 4.39Å; V36-M74 HydrophobicContact CG2-CG 4.43Å; V36-M74 PolarHBondContact N-O 2.87Å; V36-M74 WeakPolarHBondContact O-CG 3.49Å; V36-M74 PolarHBondContact O-N 3.03Å; M74-A76 HydrophobicContact CB-CB 4.34Å; M74-A76 HydrophobicContact CG-CB 3.78Å; M74-A76 PolarHBondContact O-N 2.99Å; M74-A76 HydrophobicContact SD-CB 3.87Å; M74-L84 HydrophobicContact SD-CD1 4.25Å; M74-I87 HydrophobicContact CB-CD1 3.89Å; M74-I87 HydrophobicContact CB-CG2 4.31Å; M74-I87 HydrophobicContact CE-CB 3.99Å; M74-I87 HydrophobicContact CE-CG2 3.42Å; M74-I87 VanDerWaalsContact CE-CG2 3.42Å; M74-I87 HydrophobicContact CG-CD1 4.36Å; M74-I87 HydrophobicContact SD-CB 3.93Å; M74-I87 HydrophobicContact SD-CD1 3.71Å; M74-I87 HydrophobicContact SD-CG1 4.41Å; M74-I87 HydrophobicContact SD-CG2 3.81Å; M74-L88 HydrophobicContact CE-CD1 4.34Å; M74-L88 HydrophobicContact CE-CD2 3.36Å; M74-L88 HydrophobicContact CE-CG 3.65Å
75L98.2Very high97.2Very high89 Ų8963.3 Ų63.347%0.46634%0.335SS..SBendtrans-87.486.3166.1-64.5175.9000107.1V21 V31 K34 A35V21-L75 HydrophobicContact CG1-CD2 3.95Å; V31-L75 HydrophobicContact CB-CB 4.03Å; V31-L75 HydrophobicContact CB-CD1 4.45Å; V31-L75 HydrophobicContact CG1-CB 4.34Å; V31-L75 HydrophobicContact CG2-CB 4.28Å; V31-L75 HydrophobicContact CG2-CD1 3.85Å; K34-L75 CarbonylContact O-C 3.46Å; K34-L75 WeakPolarHBondContact O-CA 3.31Å; A35-L75 HydrophobicContact CB-CD2 4.14Å
76A97.3Very high97.3Very high1 Ų159.1 Ų59.11%0.00833%0.326CS..SBendtrans-145.5161.9-17700000109.4K34 A35 M74 T83K34-A76 CarbonylContact C-O 3.6Å; K34-A76 WeakPolarHBondContact CB-O 3.26Å; K34-A76 PolarHBondContact O-N 2.89Å; A35-A76 CarbonylContact C-O 3.51Å; A35-A76 PolarHBondContact N-O 3.09Å; M74-A76 HydrophobicContact CB-CB 4.34Å; M74-A76 HydrophobicContact CG-CB 3.78Å; M74-A76 PolarHBondContact O-N 2.99Å; M74-A76 HydrophobicContact SD-CB 3.87Å; A76-T83 HydrophobicContact CB-CG2 3.78Å
77D96.4Very high97.4Very high39 Ų3955.9 Ų55.921%0.20931%0.309CS..  trans-92129.1167.5-165.9-7.3000108.5K34 S79 D80K34-D77 HydrophobicContact CD-CB 3.82Å; K34-D77 VanDerWaalsContact CD-OD1 3.28Å; K34-D77 WeakPolarHBondContact CD-OD1 3.37Å; K34-D77 WeakPolarHBondContact CD-OD2 3.28Å; K34-D77 IonicContact NZ-OD1 3.9Å; K34-D77 PolarHBondContact NZ-OD1 2.98Å; K34-D77 IonicContact NZ-OD2 2.95Å; K34-D77 PolarHBondContact NZ-OD2 3.09Å; D77-S79 PolarHBondContact O-N 2.82Å; D77-S79 PolarHBondContact OD1-N 3.08Å; D77-D80 HydrophobicContact CB-CB 4.09Å; D77-D80 WeakPolarHBondContact O-CB 3.42Å; D77-D80 PolarHBondContact O-N 2.97Å
78E94.6Very high97.4Very high20 Ų2055.3 Ų55.39%0.09331%0.306CS..THydrogen-bonded Turntrans-61.1-26.2175.266.7-176.2179.500112.2G17 V36 D80 K126 L127G17-E78 VanDerWaalsContact CA-OE2 3.23Å; G17-E78 WeakPolarHBondContact CA-OE2 3.5Å; G17-E78 PolarHBondContact N-OE2 2.84Å; G17-E78 VanDerWaalsContact N-OE2 3.08Å; V36-E78 HydrophobicContact CG2-CB 3.82Å; E78-D80 VanDerWaalsContact C-N 3.32Å; E78-K126 IonicContact OE1-NZ 3.19Å; E78-K126 PolarHBondContact OE1-NZ 3.2Å; E78-L127 HydrophobicContact CB-CD1 4.25Å
79S94.1Very high97.4Very high59 Ų5956.6 Ų56.641%0.41332%0.315SS..THydrogen-bonded Turntrans-81.7-9176.7-63.50000113.8D77 H81 K126 E130D77-S79 PolarHBondContact O-N 2.82Å; D77-S79 PolarHBondContact OD1-N 3.08Å; S79-H81 PolarHBondContact O-N 3.02Å; S79-K126 WeakPolarHBondContact OG-CE 3.5Å; S79-K126 PolarHBondContact OG-NZ 2.87Å; S79-E130 PolarHBondContact OG-OE1 3.08Å
80D96.7Very high97.4Very high59 Ų5954.6 Ų54.632%0.31631%0.313SS..  trans-85.688.5166.6177.9-7.2000108.3D77 E78 E82 T83 L84D77-D80 HydrophobicContact CB-CB 4.09Å; D77-D80 WeakPolarHBondContact O-CB 3.42Å; D77-D80 PolarHBondContact O-N 2.97Å; E78-D80 VanDerWaalsContact C-N 3.32Å; D80-E82 VanDerWaalsContact C-N 3.27Å; D80-E82 PolarHBondContact O-N 2.99Å; D80-E82 PolarHBondContact OD1-N 3.43Å; D80-T83 VanDerWaalsContact CG-OG1 3.25Å; D80-T83 PolarHBondContact O-N 2.84Å; D80-T83 PolarHBondContact OD1-N 3.46Å; D80-T83 PolarHBondContact OD1-OG1 3.47Å; D80-T83 VanDerWaalsContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CB 3.37Å; D80-T83 PolarHBondContact OD2-OG1 2.95Å; D80-L84 VanDerWaalsContact O-CB 3.28Å; D80-L84 WeakPolarHBondContact O-CB 3.21Å; D80-L84 PolarHBondContact O-N 3.18Å
81H96.1Very high97.4Very high65 Ų6552.1 Ų52.130%0.30130%0.295SS..Hα-helixtrans-62.2-36.5-173.4-171.683.6000112S79 T85S79-H81 PolarHBondContact O-N 3.02Å; H81-T85 WeakPolarHBondContact NE2-CG2 3.33Å; H81-T85 VanDerWaalsContact O-CB 3.3Å; H81-T85 WeakPolarHBondContact O-CB 3.47Å; H81-T85 WeakPolarHBondContact O-CG2 3.3Å; H81-T85 PolarHBondContact O-N 2.98Å; H81-T85 PolarHBondContact O-OG1 3.29Å
82E97.8Very high97.4Very high140 Ų14048.5 Ų48.565%0.65428%0.276SS*.Hα-helixtrans-62.7-50.1178.8-69.878-18000111D80 T85 A86D80-E82 VanDerWaalsContact C-N 3.27Å; D80-E82 PolarHBondContact O-N 2.99Å; D80-E82 PolarHBondContact OD1-N 3.43Å; E82-T85 PolarHBondContact O-OG1 2.98Å; E82-A86 WeakPolarHBondContact O-CB 3.49Å; E82-A86 PolarHBondContact O-N 3.08Å
83T97.8Very high97.4Very high51 Ų5150.4 Ų50.431%0.31329%0.293SS..Hα-helixtrans-66.5-44.8177.7-61.90000111.1A76 D80 T85 A86 I87A76-T83 HydrophobicContact CB-CG2 3.78Å; D80-T83 VanDerWaalsContact CG-OG1 3.25Å; D80-T83 PolarHBondContact O-N 2.84Å; D80-T83 PolarHBondContact OD1-N 3.46Å; D80-T83 PolarHBondContact OD1-OG1 3.47Å; D80-T83 VanDerWaalsContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CB 3.37Å; D80-T83 PolarHBondContact OD2-OG1 2.95Å; T83-T85 PolarHBondContact O-N 3.32Å; T83-A86 PolarHBondContact O-N 3.3Å; T83-I87 HydrophobicContact CG2-CD1 3.81Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3Å; T83-I87 VanDerWaalsContact O-N 3.08Å
84L97.4Very high97.4Very high1 Ų149.8 Ų49.81%0.00529%0.287CS..Hα-helixtrans-58-49.9179.6-176.871.7000111.4V36 M74 D80 I87 L88 L127 V131V36-L84 HydrophobicContact CB-CD1 4.5Å; V36-L84 HydrophobicContact CG1-CD1 3.95Å; V36-L84 HydrophobicContact CG2-CD1 4.33Å; M74-L84 HydrophobicContact SD-CD1 4.25Å; D80-L84 VanDerWaalsContact O-CB 3.28Å; D80-L84 WeakPolarHBondContact O-CB 3.21Å; D80-L84 PolarHBondContact O-N 3.18Å; L84-I87 PolarHBondContact O-N 2.64Å; L84-L88 HydrophobicContact CD1-CD1 3.57Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 WeakPolarHBondContact O-CB 3.18Å; L84-L88 WeakPolarHBondContact O-CG 3.48Å; L84-L88 PolarHBondContact O-N 3.29Å; L84-L127 HydrophobicContact CD2-CD1 4.02Å; L84-V131 HydrophobicContact CD2-CG1 4.36Å
85T97.8Very high97.4Very high30 Ų3049.3 Ų49.318%0.18428%0.284CS..Hα-helixtrans-69.1-38.3-179.254.50000112.3H81 E82 T83 I87 S89 F200H81-T85 WeakPolarHBondContact NE2-CG2 3.33Å; H81-T85 VanDerWaalsContact O-CB 3.3Å; H81-T85 WeakPolarHBondContact O-CB 3.47Å; H81-T85 WeakPolarHBondContact O-CG2 3.3Å; H81-T85 PolarHBondContact O-N 2.98Å; H81-T85 PolarHBondContact O-OG1 3.29Å; E82-T85 PolarHBondContact O-OG1 2.98Å; T83-T85 PolarHBondContact O-N 3.32Å; T85-I87 VanDerWaalsContact C-N 3.28Å; T85-I87 PolarHBondContact O-N 3.01Å; T85-S89 WeakPolarHBondContact O-CB 3.27Å; T85-S89 PolarHBondContact O-N 2.99Å; T85-S89 PolarHBondContact O-OG 2.79Å; T85-F200 HydrophobicContact CG2-CB 4.38Å; T85-F200 HydrophobicContact CG2-CD1 3.63Å; T85-F200 HydrophobicContact CG2-CD2 4.05Å; T85-F200 HydrophobicContact CG2-CE1 3.87Å; T85-F200 HydrophobicContact CG2-CE2 4.26Å; T85-F200 HydrophobicContact CG2-CG 3.74Å; T85-F200 HydrophobicContact CG2-CZ 4.18Å
86A98.3Very high97.3Very high66 Ų6648.5 Ų48.555%0.54528%0.278SS..Hα-helixtrans-58.9-41.6175.800000111.7E82 T83 S89E82-A86 WeakPolarHBondContact O-CB 3.49Å; E82-A86 PolarHBondContact O-N 3.08Å; T83-A86 PolarHBondContact O-N 3.3Å; A86-S89 PolarHBondContact O-OG 2.75Å
87I98.1Very high97.3Very high66 Ų6651.3 Ų51.334%0.33830%0.302SS..Hα-helixtrans-79.7-41.8-178.6-62.6173.1000112M74 T83 L84 T85 P90M74-I87 HydrophobicContact CB-CD1 3.89Å; M74-I87 HydrophobicContact CB-CG2 4.31Å; M74-I87 HydrophobicContact CE-CB 3.99Å; M74-I87 HydrophobicContact CE-CG2 3.42Å; M74-I87 VanDerWaalsContact CE-CG2 3.42Å; M74-I87 HydrophobicContact CG-CD1 4.36Å; M74-I87 HydrophobicContact SD-CB 3.93Å; M74-I87 HydrophobicContact SD-CD1 3.71Å; M74-I87 HydrophobicContact SD-CG1 4.41Å; M74-I87 HydrophobicContact SD-CG2 3.81Å; T83-I87 HydrophobicContact CG2-CD1 3.81Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3Å; T83-I87 VanDerWaalsContact O-N 3.08Å; L84-I87 PolarHBondContact O-N 2.64Å; T85-I87 VanDerWaalsContact C-N 3.28Å; T85-I87 PolarHBondContact O-N 3.01Å; I87-P90 WeakPolarHBondContact O-CD 3.34Å
88L98.4Very high97.4Very high0 Ų052.9 Ų52.90%031%0.308CS..Hα-helixtrans-84.7-20.2-174.7-68.1-176.1000113.8F38 C72 M74 L84 P90 L91 I92 F200 I201F38-L88 HydrophobicContact CB-CD2 4.02Å; F38-L88 HydrophobicContact CD2-CD1 4.16Å; F38-L88 HydrophobicContact CD2-CD2 3.93Å; F38-L88 HydrophobicContact CG-CD2 4.21Å; C72-L88 HydrophobicContact CB-CD2 4.48Å; M74-L88 HydrophobicContact CE-CD1 4.34Å; M74-L88 HydrophobicContact CE-CD2 3.36Å; M74-L88 HydrophobicContact CE-CG 3.65Å; L84-L88 HydrophobicContact CD1-CD1 3.57Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 WeakPolarHBondContact O-CB 3.18Å; L84-L88 WeakPolarHBondContact O-CG 3.48Å; L84-L88 PolarHBondContact O-N 3.29Å; L88-P90 VanDerWaalsContact C-CD 3.4Å; L88-P90 VanDerWaalsContact C-N 3.33Å; L88-L91 HydrophobicContact CD2-CD1 3.81Å; L88-L91 WeakPolarHBondContact O-CA 3.22Å; L88-L91 WeakPolarHBondContact O-CB 3.44Å; L88-L91 PolarHBondContact O-N 3.37Å; L88-I92 WeakPolarHBondContact O-CG1 3.45Å; L88-I92 PolarHBondContact O-N 3.21Å; L88-F200 HydrophobicContact CB-CE1 3.81Å; L88-F200 HydrophobicContact CB-CZ 3.79Å; L88-F200 HydrophobicContact CD1-CE1 4.5Å; L88-I201 HydrophobicContact CD1-CD1 4.16Å
89S98.1Very high97.4Very high54 Ų5455.3 Ų55.338%0.37832%0.319SS..Hα-helixtrans-56.9-36.1-175.255.10000114.6T85 A86 I92 A93T85-S89 WeakPolarHBondContact O-CB 3.27Å; T85-S89 PolarHBondContact O-N 2.99Å; T85-S89 PolarHBondContact O-OG 2.79Å; A86-S89 PolarHBondContact O-OG 2.75Å; S89-I92 PolarHBondContact O-N 3.37Å; S89-A93 WeakPolarHBondContact O-CB 3.44Å; S89-A93 PolarHBondContact O-N 3.22Å
90P98.5Very high97.4Very high69 Ų6957.6 Ų57.645%0.44834%0.335SS..Hα-helixtrans-63.1-40.8172.4-21.535.5000112.6I87 L88 I92 A93 E94I87-P90 WeakPolarHBondContact O-CD 3.34Å; L88-P90 VanDerWaalsContact C-CD 3.4Å; L88-P90 VanDerWaalsContact C-N 3.33Å; P90-I92 VanDerWaalsContact C-N 3.34Å; P90-I92 PolarHBondContact O-N 3.01Å; P90-A93 PolarHBondContact O-N 2.88Å; P90-E94 WeakPolarHBondContact O-CG 3.45Å; P90-E94 PolarHBondContact O-N 3.44Å
91L98.1Very high97.3Very high30 Ų3058 Ų5816%0.15734%0.343CS..Hα-helixtrans-63.8-40.8177.2-67.3-177.7000111.8F38 L71 C72 L88 A93 E94 R95F38-L91 HydrophobicContact CB-CD1 4.43Å; F38-L91 HydrophobicContact CD1-CD1 4.27Å; F38-L91 HydrophobicContact CG-CD1 4.29Å; L71-L91 HydrophobicContact CD2-CD1 4.32Å; L71-L91 HydrophobicContact CD2-CD2 4.01Å; L71-L91 HydrophobicContact CG-CD1 4.35Å; L71-L91 HydrophobicContact CG-CD2 4.07Å; C72-L91 HydrophobicContact CB-CD1 3.53Å; L88-L91 HydrophobicContact CD2-CD1 3.81Å; L88-L91 WeakPolarHBondContact O-CA 3.22Å; L88-L91 WeakPolarHBondContact O-CB 3.44Å; L88-L91 PolarHBondContact O-N 3.37Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-E94 PolarHBondContact O-N 3.25Å; L91-R95 WeakPolarHBondContact O-CB 3.23Å; L91-R95 PolarHBondContact O-N 3.37Å
92I97.8Very high97.3Very high14 Ų1459.1 Ų59.17%0.07235%0.348CS..Hα-helixtrans-67.5-38.2177-54.7-49.1000110.7L88 S89 P90 R95 E96 F200 I201L88-I92 WeakPolarHBondContact O-CG1 3.45Å; L88-I92 PolarHBondContact O-N 3.21Å; S89-I92 PolarHBondContact O-N 3.37Å; P90-I92 VanDerWaalsContact C-N 3.34Å; P90-I92 PolarHBondContact O-N 3.01Å; I92-R95 WeakPolarHBondContact O-CB 3.29Å; I92-R95 PolarHBondContact O-N 2.74Å; I92-E96 WeakPolarHBondContact O-CG 3.38Å; I92-E96 PolarHBondContact O-N 3.46Å; I92-F200 HydrophobicContact CG1-CE1 4.29Å; I92-F200 HydrophobicContact CG1-CE2 4.1Å; I92-F200 HydrophobicContact CG1-CZ 3.77Å; I92-I201 HydrophobicContact CD1-CB 4.35Å; I92-I201 HydrophobicContact CD1-CD1 3.98Å; I92-I201 HydrophobicContact CD1-CG1 3.78Å; I92-I201 HydrophobicContact CD1-CG2 3.96Å; I92-I201 HydrophobicContact CG1-CG1 4.04Å
93A97.9Very high97.3Very high63 Ų6356.2 Ų56.252%0.52134%0.336SS..Hα-helixtrans-62.9-43.2174.500000112.1S89 P90 L91 E96 A97S89-A93 WeakPolarHBondContact O-CB 3.44Å; S89-A93 PolarHBondContact O-N 3.22Å; P90-A93 PolarHBondContact O-N 2.88Å; L91-A93 VanDerWaalsContact C-N 3.34Å; A93-E96 PolarHBondContact O-N 3.37Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.95Å
94E98.3Very high97.3Very high115 Ų11558.1 Ų58.154%0.53735%0.348SS..Hα-helixtrans-62.3-45.8174.4-73.2173.9-165.400111.6P90 L91 E96 A97 M98P90-E94 WeakPolarHBondContact O-CG 3.45Å; P90-E94 PolarHBondContact O-N 3.44Å; L91-E94 PolarHBondContact O-N 3.25Å; E94-E96 PolarHBondContact O-N 2.89Å; E94-A97 PolarHBondContact O-N 3.25Å; E94-M98 WeakPolarHBondContact O-CB 3.49Å; E94-M98 VanDerWaalsContact O-CG 3.26Å; E94-M98 WeakPolarHBondContact O-CG 3.42Å; E94-M98 PolarHBondContact O-N 2.96Å
95R97.4Very high97.3Very high4 Ų462 Ų622%0.01537%0.369CS..Hα-helixtrans-54.5-49.5175178.7-161.1-174.6-90.32.1111.8E13 L91 I92 M98 K99 F118 E202E13-R95 VanDerWaalsContact CD-NE 3.35Å; E13-R95 WeakPolarHBondContact OE1-CD 3.47Å; E13-R95 WeakPolarHBondContact OE1-CG 3.35Å; E13-R95 IonicContact OE1-NE 2.94Å; E13-R95 PolarHBondContact OE1-NE 2.88Å; E13-R95 IonicContact OE2-CZ 3.17Å; E13-R95 IonicContact OE2-NE 2.75Å; E13-R95 PolarHBondContact OE2-NE 2.94Å; E13-R95 IonicContact OE2-NH2 3.03Å; E13-R95 PolarHBondContact OE2-NH2 3.08Å; L91-R95 WeakPolarHBondContact O-CB 3.23Å; L91-R95 PolarHBondContact O-N 3.37Å; I92-R95 WeakPolarHBondContact O-CB 3.29Å; I92-R95 PolarHBondContact O-N 2.74Å; R95-M98 PolarHBondContact O-N 3.38Å; R95-K99 WeakPolarHBondContact O-CG 3.15Å; R95-K99 PolarHBondContact O-N 3.03Å; R95-F118 HydrophobicContact CG-CB 4.21Å; R95-F118 HydrophobicContact CG-CD1 4.17Å; R95-F118 HydrophobicContact CG-CD2 3.87Å; R95-F118 HydrophobicContact CG-CE2 4.23Å; R95-F118 HydrophobicContact CG-CG 3.82Å; R95-E202 IonicContact CZ-OE1 2.65Å; R95-E202 IonicContact NH1-OE1 3.95Å; R95-E202 PolarHBondContact NH1-OE1 3.09Å; R95-E202 PolarHBondContact NH2-O 3.1Å; R95-E202 VanDerWaalsContact NH2-O 3.08Å; R95-E202 IonicContact NH2-OE1 3.66Å; R95-E202 PolarHBondContact NH2-OE1 2.95Å
96E96.4Very high97.2Very high73 Ų7366.1 Ų66.134%0.34139%0.386SS..Hα-helixtrans-65.6-39179.6-69.6-50.9123.200112.6I92 A93 E94 M98 K99 S100I92-E96 WeakPolarHBondContact O-CG 3.38Å; I92-E96 PolarHBondContact O-N 3.46Å; A93-E96 PolarHBondContact O-N 3.37Å; E94-E96 PolarHBondContact O-N 2.89Å; E96-M98 VanDerWaalsContact C-N 3.31Å; E96-M98 PolarHBondContact O-N 3.47Å; E96-K99 PolarHBondContact O-N 3.43Å; E96-K99 WeakPolarHBondContact OE1-CD 3.31Å; E96-K99 IonicContact OE1-NZ 3.16Å; E96-K99 PolarHBondContact OE1-NZ 2.94Å; E96-K99 IonicContact OE2-NZ 3.71Å; E96-K99 PolarHBondContact OE2-NZ 3.44Å; E96-S100 PolarHBondContact O-OG 3.38Å
97A97.6Very high97Very high60 Ų6067 Ų6750%0.49638%0.379SS..Hα-helixtrans-61.9-40.817300000111.4A93 E94 S100 S101A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.95Å; E94-A97 PolarHBondContact O-N 3.25Å; A97-S100 PolarHBondContact O-N 3.26Å; A97-S100 PolarHBondContact O-OG 3.02Å; A97-S101 VanDerWaalsContact O-CB 3.23Å; A97-S101 WeakPolarHBondContact O-CB 3.45Å; A97-S101 PolarHBondContact O-N 3.42Å
98M97.7Very high96.7Very high71 Ų7167.7 Ų67.735%0.3540%0.403SS..Hα-helixtrans-68.6-33.1178.9-71.7176.373.900113.2E94 R95 E96 S100 S101 F116 F118E94-M98 WeakPolarHBondContact O-CB 3.49Å; E94-M98 VanDerWaalsContact O-CG 3.26Å; E94-M98 WeakPolarHBondContact O-CG 3.42Å; E94-M98 PolarHBondContact O-N 2.96Å; R95-M98 PolarHBondContact O-N 3.38Å; E96-M98 VanDerWaalsContact C-N 3.31Å; E96-M98 PolarHBondContact O-N 3.47Å; M98-S100 PolarHBondContact O-N 3.03Å; M98-S101 PolarHBondContact O-N 3.25Å; M98-F116 HydrophobicContact CE-CD1 4.3Å; M98-F116 HydrophobicContact CE-CD2 3.72Å; M98-F116 HydrophobicContact CE-CE1 4.32Å; M98-F116 HydrophobicContact CE-CE2 3.74Å; M98-F116 HydrophobicContact CE-CG 4.01Å; M98-F116 HydrophobicContact CE-CZ 4.06Å; M98-F118 HydrophobicContact CB-CE2 3.67Å; M98-F118 HydrophobicContact CB-CZ 3.81Å; M98-F118 HydrophobicContact CE-CZ 3.78Å; M98-F118 HydrophobicContact CG-CZ 4.49Å; M98-F118 HydrophobicContact SD-CZ 3.88Å
99K95.6Very high96.5Very high71 Ų7170.7 Ų70.731%0.30943%0.434SS..Hα-helixtrans-61.3-29.9176.3-76.216665.3-159.70113.2R95 E96 F118 E202R95-K99 WeakPolarHBondContact O-CG 3.15Å; R95-K99 PolarHBondContact O-N 3.03Å; E96-K99 PolarHBondContact O-N 3.43Å; E96-K99 WeakPolarHBondContact OE1-CD 3.31Å; E96-K99 IonicContact OE1-NZ 3.16Å; E96-K99 PolarHBondContact OE1-NZ 2.94Å; E96-K99 IonicContact OE2-NZ 3.71Å; E96-K99 PolarHBondContact OE2-NZ 3.44Å; K99-F118 HydrophobicContact CD-CD2 4.26Å; K99-F118 HydrophobicContact CG-CD2 3.61Å; K99-F118 HydrophobicContact CG-CE2 4.08Å; K99-E202 IonicContact NZ-OE1 3.58Å; K99-E202 PolarHBondContact NZ-OE1 2.84Å; K99-E202 VanDerWaalsContact NZ-OE1 3.11Å; K99-E202 IonicContact NZ-OE2 2.63Å; K99-E202 PolarHBondContact NZ-OE2 3.46Å
100S93.2Very high96.4Very high108 Ų10870.4 Ų70.476%0.75543%0.428SS*.THydrogen-bonded Turntrans-103.58.7-178.658.60000113.5E96 A97 M98E96-S100 PolarHBondContact O-OG 3.38Å; A97-S100 PolarHBondContact O-N 3.26Å; A97-S100 PolarHBondContact O-OG 3.02Å; M98-S100 PolarHBondContact O-N 3.03Å
101S95.9Very high96.3Very high68 Ų6870.4 Ų70.448%0.47643%0.428SS..  trans-124169.4-175.6-170.20000112.3A97 M98A97-S101 VanDerWaalsContact O-CB 3.23Å; A97-S101 WeakPolarHBondContact O-CB 3.45Å; A97-S101 PolarHBondContact O-N 3.42Å; M98-S101 PolarHBondContact O-N 3.25Å
102E96.1Very high96.2Very high87 Ų8770.5 Ų70.541%0.40743%0.426SS..  trans-122.6125.9170.2-69.1-172.6-165.800109.7F114 K115E102-F114 CarbonylContact C-O 3.41Å; E102-F114 WeakPolarHBondContact CA-O 3.49Å; E102-K115 VanDerWaalsContact CD-CE 3.47Å; E102-K115 HydrophobicContact CG-CG 3.82Å; E102-K115 WeakPolarHBondContact OE1-CE 3.29Å; E102-K115 IonicContact OE1-NZ 3.89Å; E102-K115 PolarHBondContact OE1-NZ 3.44Å
103L97.3Very high96.1Very high80 Ų8071.4 Ų71.442%0.41943%0.432SS..EExtended strand (participates in β ladder)trans-82.8120.4173.4172.367000109.3L105 T113 F114 F116L103-L105 HydrophobicContact CG-CB 4.46Å; L103-T113 CarbonylContact O-C 3.55Å; L103-T113 VanDerWaalsContact O-CA 3.31Å; L103-T113 WeakPolarHBondContact O-CA 3.4Å; L103-F114 HydrophobicContact CB-CB 4.32Å; L103-F114 PolarHBondContact N-O 3.34Å; L103-F114 PolarHBondContact O-N 3.05Å; L103-F116 HydrophobicContact CB-CE2 3.72Å; L103-F116 HydrophobicContact CB-CZ 4.38Å; L103-F116 HydrophobicContact CD2-CE2 4Å; L103-F116 HydrophobicContact CD2-CZ 3.84Å
104T97.4Very high96.1Very high91 Ų9169.3 Ų69.356%0.55841%0.411SS*.EExtended strand (participates in β ladder)trans-92.3122.8166.7-57.30000109.2P111 R112T104-P111 HydrophobicContact CG2-CB 4.09Å; T104-R112 CarbonylContact C-O 3.47Å; T104-R112 WeakPolarHBondContact CA-O 3.37Å
105L96.8Very high96Very high83 Ų8367.9 Ų67.944%0.43540%0.404SS..EExtended strand (participates in β ladder)trans-132.9128-179.4-175.266.4000110.7L103 M107 R112 F114L103-L105 HydrophobicContact CG-CB 4.46Å; L105-M107 HydrophobicContact CD2-CG 3.9Å; L105-M107 HydrophobicContact CD2-SD 3.92Å; L105-M107 HydrophobicContact CG-CG 3.95Å; L105-M107 PolarHBondContact O-N 2.88Å; L105-R112 PolarHBondContact N-O 3.02Å; L105-R112 PolarHBondContact O-N 2.88Å; L105-F114 HydrophobicContact CB-CD2 4.32Å; L105-F114 HydrophobicContact CB-CE2 4.05Å
106E96.1Very high96.1Very high116 Ų11669.4 Ų69.454%0.54241%0.41SS..EExtended strand (participates in β ladder)trans-72113.4174.3-166.968.5-161.300109.7G109 I110 P111E106-G109 WeakPolarHBondContact OE1-CA 3.49Å; E106-I110 PolarHBondContact OE1-N 3.3Å; E106-I110 VanDerWaalsContact OE1-N 3.11Å; E106-P111 WeakPolarHBondContact OE2-CA 3.43Å; E106-P111 WeakPolarHBondContact OE2-CB 3.46Å; E106-P111 WeakPolarHBondContact OE2-CD 3.33Å
107M94.3Very high96.1Very high83 Ų8369.4 Ų69.441%0.40941%0.412SS..EExtended strand (participates in β ladder)trans-132.7126.9-179.3-73.2-175.972.700109.6L105 G109 I110 R112 F114L105-M107 HydrophobicContact CD2-CG 3.9Å; L105-M107 HydrophobicContact CD2-SD 3.92Å; L105-M107 HydrophobicContact CG-CG 3.95Å; L105-M107 PolarHBondContact O-N 2.88Å; M107-G109 PolarHBondContact O-N 3.49Å; M107-G109 VanDerWaalsContact O-N 3.17Å; M107-I110 PolarHBondContact N-O 3.24Å; M107-I110 PolarHBondContact O-N 2.96Å; M107-I110 VanDerWaalsContact O-N 3.07Å; M107-I110 VanDerWaalsContact O-O 3.13Å; M107-R112 VanDerWaalsContact C-NH1 3.25Å; M107-R112 PolarHBondContact O-NH1 2.84Å; M107-F114 HydrophobicContact SD-CE2 3.96Å; M107-F114 HydrophobicContact SD-CZ 3.55Å; M107-F114 VanDerWaalsContact SD-CZ 3.55Å
108G91.8Very high96.2Very high81 Ų8167.7 Ų67.784%0.83539%0.393SS*.THydrogen-bonded Turntrans55.133.1-179.500000113.8I110G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.31Å
109G94.5Very high96.2Very high64 Ų6469.9 Ų69.966%0.6640%0.398SS*.THydrogen-bonded Turntrans74.116.7-178.700000115.5E106 M107E106-G109 WeakPolarHBondContact OE1-CA 3.49Å; M107-G109 PolarHBondContact O-N 3.49Å; M107-G109 VanDerWaalsContact O-N 3.17Å
110I95.7Very high96.2Very high47 Ų4766.6 Ų66.624%0.24138%0.384CS..EExtended strand (participates in β ladder)trans-129.5129.6176.8-60.2171.6000109Y2 N4 E106 M107 G108 R112Y2-I110 VanDerWaalsContact CA-CD1 3.49Å; N4-I110 HydrophobicContact CB-CG2 4.33Å; E106-I110 PolarHBondContact OE1-N 3.3Å; E106-I110 VanDerWaalsContact OE1-N 3.11Å; M107-I110 PolarHBondContact N-O 3.24Å; M107-I110 PolarHBondContact O-N 2.96Å; M107-I110 VanDerWaalsContact O-N 3.07Å; M107-I110 VanDerWaalsContact O-O 3.13Å; G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.31Å; I110-R112 HydrophobicContact CG2-CG 4.39Å; I110-R112 PolarHBondContact O-N 3.38Å
111P96.6Very high96.4Very high70 Ų7063.4 Ų63.446%0.45536%0.36SS..EExtended strand (participates in β ladder)trans-69.7117.3171.126.4-32000109.2N4 T104 E106N4-P111 WeakPolarHBondContact CB-O 3.06Å; T104-P111 HydrophobicContact CG2-CB 4.09Å; E106-P111 WeakPolarHBondContact OE2-CA 3.43Å; E106-P111 WeakPolarHBondContact OE2-CB 3.46Å; E106-P111 WeakPolarHBondContact OE2-CD 3.33Å
112R95.8Very high96.5Very high31 Ų3160.8 Ų60.812%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-111.1139.4178.1-64.4-167.1175.886.711.1111D1 L3 N4 F7 T104 L105 M107 I110 F114D1-R112 PolarHBondContact O-NH2 2.66Å; L3-R112 WeakPolarHBondContact O-CD 3.34Å; L3-R112 PolarHBondContact O-NE 3.5Å; N4-R112 CarbonylContact O-C 3.51Å; N4-R112 VanDerWaalsContact O-CA 3.28Å; N4-R112 WeakPolarHBondContact O-CA 3.39Å; F7-R112 HydrophobicContact CD2-CB 4.3Å; F7-R112 HydrophobicContact CE2-CB 4.02Å; F7-R112 HydrophobicContact CE2-CG 4.03Å; T104-R112 CarbonylContact C-O 3.47Å; T104-R112 WeakPolarHBondContact CA-O 3.37Å; L105-R112 PolarHBondContact N-O 3.02Å; L105-R112 PolarHBondContact O-N 2.88Å; M107-R112 VanDerWaalsContact C-NH1 3.25Å; M107-R112 PolarHBondContact O-NH1 2.84Å; I110-R112 HydrophobicContact CG2-CG 4.39Å; I110-R112 PolarHBondContact O-N 3.38Å; R112-F114 HydrophobicContact CB-CD2 4.46Å; R112-F114 HydrophobicContact CB-CE2 3.56Å; R112-F114 HydrophobicContact CB-CZ 3.85Å; R112-F114 WeakPolarHBondContact O-CD2 3.24Å; R112-F114 WeakPolarHBondContact O-CE2 3.32Å
113T96.5Very high96.5Very high33 Ų3356.9 Ų56.920%0.20233%0.325CS..EExtended strand (participates in β ladder)trans-98.9137.417758.60000111.6N4 P6 F7 L103N4-T113 PolarHBondContact O-N 3.38Å; N4-T113 PolarHBondContact O-OG1 2.88Å; P6-T113 WeakPolarHBondContact CA-OG1 3.43Å; F7-T113 WeakPolarHBondContact CD2-O 3.48Å; F7-T113 PolarHBondContact N-O 3.07Å; L103-T113 CarbonylContact O-C 3.55Å; L103-T113 VanDerWaalsContact O-CA 3.31Å; L103-T113 WeakPolarHBondContact O-CA 3.4Å
114F97.1Very high96.5Very high19 Ų1954.5 Ų54.58%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-128.6128.9-177.3-61.3-93.1000111F7 V9 E102 L103 L105 M107 R112 F116F7-F114 HydrophobicContact CB-CD1 3.47Å; F7-F114 VanDerWaalsContact CB-CD1 3.47Å; F7-F114 HydrophobicContact CB-CE1 3.68Å; F7-F114 HydrophobicContact CB-CG 4.31Å; F7-F114 HydrophobicContact CD2-CD1 4.42Å; F7-F114 HydrophobicContact CD2-CE1 4.04Å; F7-F114 HydrophobicContact CD2-CZ 4.27Å; F7-F114 HydrophobicContact CG-CD1 4.13Å; F7-F114 AromaticContact CG-CE1 3.83Å; F7-F114 HydrophobicContact CG-CE1 3.83Å; F7-F114 HydrophobicContact CG-CZ 4.49Å; F7-F114 CarbonylContact O-C 3.48Å; F7-F114 VanDerWaalsContact O-CA 3.29Å; F7-F114 WeakPolarHBondContact O-CA 3.46Å; V9-F114 HydrophobicContact CG2-CB 4.18Å; V9-F114 HydrophobicContact CG2-CD1 3.62Å; V9-F114 HydrophobicContact CG2-CG 4.34Å; E102-F114 CarbonylContact C-O 3.41Å; E102-F114 WeakPolarHBondContact CA-O 3.49Å; L103-F114 HydrophobicContact CB-CB 4.32Å; L103-F114 PolarHBondContact N-O 3.34Å; L103-F114 PolarHBondContact O-N 3.05Å; L105-F114 HydrophobicContact CB-CD2 4.32Å; L105-F114 HydrophobicContact CB-CE2 4.05Å; M107-F114 HydrophobicContact SD-CE2 3.96Å; M107-F114 HydrophobicContact SD-CZ 3.55Å; M107-F114 VanDerWaalsContact SD-CZ 3.55Å; R112-F114 HydrophobicContact CB-CD2 4.46Å; R112-F114 HydrophobicContact CB-CE2 3.56Å; R112-F114 HydrophobicContact CB-CZ 3.85Å; R112-F114 WeakPolarHBondContact O-CD2 3.24Å; R112-F114 WeakPolarHBondContact O-CE2 3.32Å; F114-F116 HydrophobicContact CB-CE2 4.23Å; F114-F116 HydrophobicContact CB-CZ 4.25Å
115K97.2Very high96.5Very high86 Ų8654.1 Ų54.137%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-98.3145.6166.4-70.2179.4-179.8-1790109.2P6 F7 V9 E102P6-K115 HydrophobicContact CB-CD 4.29Å; P6-K115 HydrophobicContact CB-CG 4.41Å; F7-K115 PolarHBondContact O-N 3.3Å; V9-K115 PolarHBondContact N-O 3.11Å; E102-K115 VanDerWaalsContact CD-CE 3.47Å; E102-K115 HydrophobicContact CG-CG 3.82Å; E102-K115 WeakPolarHBondContact OE1-CE 3.29Å; E102-K115 IonicContact OE1-NZ 3.89Å; E102-K115 PolarHBondContact OE1-NZ 3.44Å
116F98Very high96.5Very high36 Ų3653.9 Ų53.916%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-113.1134178.9-66.1-85.1000111.6V9 V11 M98 L103 F114 F118V9-F116 HydrophobicContact CB-CD1 3.73Å; V9-F116 HydrophobicContact CB-CE1 3.83Å; V9-F116 HydrophobicContact CG1-CD1 4Å; V9-F116 HydrophobicContact CG1-CE1 3.92Å; V9-F116 HydrophobicContact CG2-CD1 4.39Å; V9-F116 HydrophobicContact CG2-CE1 4.08Å; V9-F116 WeakPolarHBondContact O-CA 3.35Å; V11-F116 HydrophobicContact CG2-CD1 3.95Å; M98-F116 HydrophobicContact CE-CD1 4.3Å; M98-F116 HydrophobicContact CE-CD2 3.72Å; M98-F116 HydrophobicContact CE-CE1 4.32Å; M98-F116 HydrophobicContact CE-CE2 3.74Å; M98-F116 HydrophobicContact CE-CG 4.01Å; M98-F116 HydrophobicContact CE-CZ 4.06Å; L103-F116 HydrophobicContact CB-CE2 3.72Å; L103-F116 HydrophobicContact CB-CZ 4.38Å; L103-F116 HydrophobicContact CD2-CE2 4Å; L103-F116 HydrophobicContact CD2-CZ 3.84Å; F114-F116 HydrophobicContact CB-CE2 4.23Å; F114-F116 HydrophobicContact CB-CZ 4.25Å; F116-F118 HydrophobicContact CB-CD2 4.15Å; F116-F118 HydrophobicContact CB-CE2 3.49Å; F116-F118 VanDerWaalsContact CB-CE2 3.49Å; F116-F118 HydrophobicContact CB-CZ 3.75Å; F116-F118 HydrophobicContact CG-CE2 4.37Å; F116-F118 HydrophobicContact CG-CZ 4.2Å
117I98Very high96.6Very high72 Ų7248.4 Ų48.437%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-115.5105.7167-60.4178.9000106.6T8 V9 V10 V11 R119T8-I117 HydrophobicContact CG2-CD1 3.43Å; T8-I117 VanDerWaalsContact CG2-CD1 3.43Å; T8-I117 HydrophobicContact CG2-CG1 3.79Å; V9-I117 PolarHBondContact O-N 3.01Å; V10-I117 CarbonylContact C-O 3.57Å; V10-I117 WeakPolarHBondContact CA-O 3.38Å; V10-I117 HydrophobicContact CG2-CB 4.44Å; V11-I117 PolarHBondContact N-O 3.17Å; I117-R119 HydrophobicContact CG2-CG 4.23Å
118F98.3Very high96.7Very high24 Ų2445.3 Ų45.311%0.10526%0.26CS..EExtended strand (participates in β ladder)trans-83.4132.7174.8-60.6-86.9000110V11 E13 R95 M98 K99 F116V11-F118 HydrophobicContact CB-CD1 3.95Å; V11-F118 HydrophobicContact CB-CE1 4.31Å; V11-F118 HydrophobicContact CG1-CD1 4.09Å; V11-F118 HydrophobicContact CG1-CE1 4.35Å; V11-F118 HydrophobicContact CG2-CD1 4.5Å; V11-F118 HydrophobicContact CG2-CE1 4.41Å; V11-F118 CarbonylContact O-C 3.57Å; E13-F118 HydrophobicContact CG-CB 4.43Å; E13-F118 HydrophobicContact CG-CD1 4.08Å; R95-F118 HydrophobicContact CG-CB 4.21Å; R95-F118 HydrophobicContact CG-CD1 4.17Å; R95-F118 HydrophobicContact CG-CD2 3.87Å; R95-F118 HydrophobicContact CG-CE2 4.23Å; R95-F118 HydrophobicContact CG-CG 3.82Å; M98-F118 HydrophobicContact CB-CE2 3.67Å; M98-F118 HydrophobicContact CB-CZ 3.81Å; M98-F118 HydrophobicContact CE-CZ 3.78Å; M98-F118 HydrophobicContact CG-CZ 4.49Å; M98-F118 HydrophobicContact SD-CZ 3.88Å; K99-F118 HydrophobicContact CD-CD2 4.26Å; K99-F118 HydrophobicContact CG-CD2 3.61Å; K99-F118 HydrophobicContact CG-CE2 4.08Å; F116-F118 HydrophobicContact CB-CD2 4.15Å; F116-F118 HydrophobicContact CB-CE2 3.49Å; F116-F118 VanDerWaalsContact CB-CE2 3.49Å; F116-F118 HydrophobicContact CB-CZ 3.75Å; F116-F118 HydrophobicContact CG-CE2 4.37Å; F116-F118 HydrophobicContact CG-CZ 4.2Å
119R97.9Very high97.1Very high118 Ų11841.7 Ų41.745%0.44522%0.221SC..EExtended strand (participates in β ladder)trans-126.594.9177.6-68.9-162.5160.7166.7-4.8108.6V10 V11 K12 E13 I117 T121 V204V10-R119 HydrophobicContact CG1-CG 4.25Å; V11-R119 PolarHBondContact O-N 2.65Å; K12-R119 WeakPolarHBondContact CA-O 3.44Å; E13-R119 PolarHBondContact N-O 3.26Å; I117-R119 HydrophobicContact CG2-CG 4.23Å; R119-T121 HydrophobicContact CB-CG2 4.42Å; R119-T121 PolarHBondContact O-N 3.48Å; R119-V204 HydrophobicContact CB-CG2 3.96Å; R119-V204 HydrophobicContact CG-CG2 4.1Å
120G96.8Very high97.2Very high1 Ų140.8 Ų40.81%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-7387.7174.100000111.5Y123 V204G120-Y123 WeakPolarHBondContact O-CE2 3.36Å; G120-V204 PolarHBondContact O-N 3.05Å
121T97.1Very high97.2Very high41 Ų4138.6 Ų38.625%0.25219%0.189SC..EExtended strand (participates in β ladder)trans-125.6-10.3-177.859.40000114E13 R119 Y123 V204E13-T121 PolarHBondContact O-N 3.33Å; R119-T121 HydrophobicContact CB-CG2 4.42Å; R119-T121 PolarHBondContact O-N 3.48Å; T121-Y123 PolarHBondContact O-N 2.89Å; T121-V204 HydrophobicContact CG2-CB 3.74Å; T121-V204 HydrophobicContact CG2-CG1 4.08Å; T121-V204 HydrophobicContact CG2-CG2 4.36Å
122G96.4Very high97.3Very high13 Ų1335.4 Ų35.413%0.13417%0.168CC..EExtended strand (participates in β ladder)trans-91.644.417800000112.8E13 S14 C15E13-G122 PolarHBondContact O-N 3.07Å; S14-G122 CarbonylContact C-O 3.5Å; S14-G122 WeakPolarHBondContact CA-O 3.31Å; S14-G122 WeakPolarHBondContact CB-O 3.17Å; S14-G122 WeakPolarHBondContact OG-CA 3.41Å; S14-G122 PolarHBondContact OG-O 2.64Å; C15-G122 PolarHBondContact N-O 2.88Å
123Y97.3Very high97.4Very high6 Ų634 Ų342%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-118.9134.7177.7-50-65000108E13 C15 F38 G120 T121 L127 T203E13-Y123 WeakPolarHBondContact CB-OH 3.19Å; C15-Y123 HydrophobicContact CB-CD1 3.53Å; C15-Y123 HydrophobicContact CB-CE1 3.38Å; C15-Y123 VanDerWaalsContact N-CD1 3.32Å; F38-Y123 HydrophobicContact CE2-CE1 4.27Å; G120-Y123 WeakPolarHBondContact O-CE2 3.36Å; T121-Y123 PolarHBondContact O-N 2.89Å; Y123-L127 HydrophobicContact CD1-CD2 3.95Å; Y123-T203 HydrophobicContact CD2-CG2 3.72Å; Y123-T203 HydrophobicContact CE2-CG2 3.73Å
124D96.9Very high97.5Very high29 Ų2933.1 Ų33.116%0.15516%0.157CC..  trans-68.9164.41727622.1000111K126 L127 V128 H211D124-K126 PolarHBondContact O-N 3.34Å; D124-K126 WeakPolarHBondContact OD1-CA 3.32Å; D124-K126 WeakPolarHBondContact OD1-CB 3.19Å; D124-K126 PolarHBondContact OD1-N 2.86Å; D124-L127 PolarHBondContact O-N 3.5Å; D124-L127 WeakPolarHBondContact OD1-CB 3.45Å; D124-L127 PolarHBondContact OD1-N 2.86Å; D124-V128 VanDerWaalsContact O-CG2 3.3Å; D124-V128 WeakPolarHBondContact O-CG2 3.35Å; D124-V128 PolarHBondContact O-N 3.44Å; D124-H211 WeakPolarHBondContact CB-ND1 3.36Å
125E98.1Very high97.6Very high84 Ų8433.8 Ų33.839%0.39316%0.16SC..Hα-helixtrans-61.3-31.4-176.3-163.7-166.5156.700112.5R129 T144E125-R129 WeakPolarHBondContact O-CB 3.45Å; E125-R129 WeakPolarHBondContact O-CD 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.48Å; E125-R129 PolarHBondContact O-N 3.37Å; E125-R129 IonicContact OE1-CZ 3.37Å; E125-R129 VanDerWaalsContact OE1-CZ 3.24Å; E125-R129 IonicContact OE1-NE 2.75Å; E125-R129 PolarHBondContact OE1-NE 2.81Å; E125-R129 IonicContact OE1-NH2 3.49Å; E125-R129 PolarHBondContact OE1-NH2 3.46Å; E125-T144 HydrophobicContact CG-CG2 3.66Å
126K96.9Very high97.5Very high77 Ų7733.2 Ų33.234%0.33517%0.172SC..Hα-helixtrans-65.5-51.6179.8177.2-166.3165.5-156.80109.5E78 S79 D124 R129 E130E78-K126 IonicContact OE1-NZ 3.19Å; E78-K126 PolarHBondContact OE1-NZ 3.2Å; S79-K126 WeakPolarHBondContact OG-CE 3.5Å; S79-K126 PolarHBondContact OG-NZ 2.87Å; D124-K126 PolarHBondContact O-N 3.34Å; D124-K126 WeakPolarHBondContact OD1-CA 3.32Å; D124-K126 WeakPolarHBondContact OD1-CB 3.19Å; D124-K126 PolarHBondContact OD1-N 2.86Å; K126-R129 WeakPolarHBondContact O-CB 3.43Å; K126-R129 PolarHBondContact O-N 2.88Å; K126-E130 WeakPolarHBondContact CE-OE1 3.43Å; K126-E130 IonicContact NZ-OE1 2.64Å; K126-E130 WeakPolarHBondContact O-CG 3.3Å; K126-E130 PolarHBondContact O-N 2.87Å
127L96.8Very high97.1Very high1 Ų134.8 Ų34.81%0.00519%0.187CC..Hα-helixtrans-66.2-39.6178.7-174.762.1000111.6C15 E78 L84 Y123 D124 R129 E130 V131C15-L127 HydrophobicContact CB-CD2 3.74Å; C15-L127 WeakPolarHBondContact O-CD2 3.5Å; E78-L127 HydrophobicContact CB-CD1 4.25Å; L84-L127 HydrophobicContact CD2-CD1 4.02Å; Y123-L127 HydrophobicContact CD1-CD2 3.95Å; D124-L127 PolarHBondContact O-N 3.5Å; D124-L127 WeakPolarHBondContact OD1-CB 3.45Å; D124-L127 PolarHBondContact OD1-N 2.86Å; L127-R129 VanDerWaalsContact C-N 3.27Å; L127-R129 PolarHBondContact O-N 3.44Å; L127-E130 PolarHBondContact O-N 3.09Å; L127-V131 HydrophobicContact CD1-CG1 3.86Å; L127-V131 HydrophobicContact CG-CG1 4.25Å; L127-V131 WeakPolarHBondContact O-CG1 3.46Å; L127-V131 VanDerWaalsContact O-CG2 3.32Å; L127-V131 WeakPolarHBondContact O-CG2 3.46Å; L127-V131 PolarHBondContact O-N 2.89Å
128V98.2Very high96.9Very high19 Ų1934.6 Ų34.612%0.11520%0.202CC..Hα-helixtrans-54.6-47.3172.5171.30000110.1D124 E130 V131 E132 T144D124-V128 VanDerWaalsContact O-CG2 3.3Å; D124-V128 WeakPolarHBondContact O-CG2 3.35Å; D124-V128 PolarHBondContact O-N 3.44Å; V128-E130 PolarHBondContact O-N 2.68Å; V128-V131 PolarHBondContact O-N 3.11Å; V128-E132 HydrophobicContact CG1-CG 4.21Å; V128-E132 WeakPolarHBondContact O-CB 3.28Å; V128-E132 PolarHBondContact O-N 2.89Å; V128-T144 HydrophobicContact CB-CG2 4.47Å; V128-T144 HydrophobicContact CG1-CG2 3.87Å
129R98.3Very high96.8Very high4 Ų434 Ų342%0.01520%0.202CC..Hα-helixtrans-63-43.5179.1-71.9168.4173.3-77-3.1111.9E125 K126 L127 G133 L134 E135 Y141 I142 T144E125-R129 WeakPolarHBondContact O-CB 3.45Å; E125-R129 WeakPolarHBondContact O-CD 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.48Å; E125-R129 PolarHBondContact O-N 3.37Å; E125-R129 IonicContact OE1-CZ 3.37Å; E125-R129 VanDerWaalsContact OE1-CZ 3.24Å; E125-R129 IonicContact OE1-NE 2.75Å; E125-R129 PolarHBondContact OE1-NE 2.81Å; E125-R129 IonicContact OE1-NH2 3.49Å; E125-R129 PolarHBondContact OE1-NH2 3.46Å; K126-R129 WeakPolarHBondContact O-CB 3.43Å; K126-R129 PolarHBondContact O-N 2.88Å; L127-R129 VanDerWaalsContact C-N 3.27Å; L127-R129 PolarHBondContact O-N 3.44Å; R129-G133 PolarHBondContact O-N 2.91Å; R129-G133 VanDerWaalsContact O-N 3.09Å; R129-L134 HydrophobicContact CB-CB 3.93Å; R129-L134 HydrophobicContact CG-CB 3.9Å; R129-L134 HydrophobicContact CG-CD1 4.07Å; R129-L134 PolarHBondContact O-N 2.9Å; R129-E135 VanDerWaalsContact CD-O 3.31Å; R129-E135 WeakPolarHBondContact CD-O 3.46Å; R129-E135 PolarHBondContact NH1-O 3.4Å; R129-Y141 PolarHBondContact NH1-O 2.52Å; R129-Y141 VanDerWaalsContact NH1-O 3.17Å; R129-Y141 PolarHBondContact NH2-O 2.93Å; R129-I142 PolarHBondContact NH2-O 3.08Å; R129-T144 HydrophobicContact CG-CG2 3.75Å
130E96.9Very high96.8Very high45 Ų4530.9 Ų30.921%0.2120%0.196CC..Hα-helixtrans-60.6-44.6177.5-70.9163.7165.200111.9S79 K126 L127 V128S79-E130 PolarHBondContact OG-OE1 3.08Å; K126-E130 WeakPolarHBondContact CE-OE1 3.43Å; K126-E130 IonicContact NZ-OE1 2.64Å; K126-E130 WeakPolarHBondContact O-CG 3.3Å; K126-E130 PolarHBondContact O-N 2.87Å; L127-E130 PolarHBondContact O-N 3.09Å; V128-E130 PolarHBondContact O-N 2.68Å
131V97.2Very high96.9Very high1 Ų131.4 Ų31.41%0.00620%0.197CC..Hα-helixtrans-88.5-18.4-176.1-53.20000114.3L84 L127 V128 P199 F200 I201 T203L84-V131 HydrophobicContact CD2-CG1 4.36Å; L127-V131 HydrophobicContact CD1-CG1 3.86Å; L127-V131 HydrophobicContact CG-CG1 4.25Å; L127-V131 WeakPolarHBondContact O-CG1 3.46Å; L127-V131 VanDerWaalsContact O-CG2 3.32Å; L127-V131 WeakPolarHBondContact O-CG2 3.46Å; L127-V131 PolarHBondContact O-N 2.89Å; V128-V131 PolarHBondContact O-N 3.11Å; V131-P199 CarbonylContact O-C 3.57Å; V131-P199 WeakPolarHBondContact O-CA 3.42Å; V131-F200 PolarHBondContact O-N 2.76Å; V131-I201 HydrophobicContact CB-CB 3.95Å; V131-I201 HydrophobicContact CB-CD1 4.23Å; V131-I201 HydrophobicContact CB-CG1 3.96Å; V131-I201 HydrophobicContact CG1-CD1 3.91Å; V131-I201 HydrophobicContact CG1-CG1 4.14Å; V131-I201 HydrophobicContact CG2-CB 3.93Å; V131-I201 HydrophobicContact CG2-CG1 4.39Å; V131-I201 PolarHBondContact O-N 3.02Å; V131-T203 HydrophobicContact CG2-CG2 3.61Å
132E98.4Very high96.9Very high4 Ų432.3 Ų32.32%0.01920%0.2CC..THydrogen-bonded Turntrans-97.38.2172.2-72.1-73.2-177.800112.8V128 L134 H166 N169 P199 T203V128-E132 HydrophobicContact CG1-CG 4.21Å; V128-E132 WeakPolarHBondContact O-CB 3.28Å; V128-E132 PolarHBondContact O-N 2.89Å; E132-L134 VanDerWaalsContact C-N 3.26Å; E132-L134 HydrophobicContact CB-CD1 4.32Å; E132-L134 HydrophobicContact CB-CG 4Å; E132-L134 PolarHBondContact O-N 3.27Å; E132-H166 IonicContact OE1-CG 2.98Å; E132-H166 IonicContact OE1-ND1 3.23Å; E132-H166 WeakPolarHBondContact OE2-CA 3.42Å; E132-H166 IonicContact OE2-CG 2.74Å; E132-H166 IonicContact OE2-ND1 2.85Å; E132-H166 PolarHBondContact OE2-ND1 3.29Å; E132-H166 VanDerWaalsContact OE2-ND1 3.17Å; E132-N169 PolarHBondContact OE2-ND2 3.21Å; E132-P199 WeakPolarHBondContact O-CG 3.26Å; E132-T203 HydrophobicContact CG-CG2 3.95Å; E132-T203 WeakPolarHBondContact CG-OG1 3.43Å; E132-T203 WeakPolarHBondContact OE1-CB 3.49Å; E132-T203 PolarHBondContact OE1-N 2.81Å; E132-T203 PolarHBondContact OE1-OG1 3.11Å
133G98Very high97Very high1 Ų133.2 Ų33.21%0.0120%0.204CC..THydrogen-bonded Turntrans7020.5173.600000114.8R129 V195 S196 A197R129-G133 PolarHBondContact O-N 2.91Å; R129-G133 VanDerWaalsContact O-N 3.09Å; G133-V195 CarbonylContact O-C 3.52Å; G133-V195 WeakPolarHBondContact O-CA 3.5Å; G133-S196 PolarHBondContact O-N 2.71Å; G133-A197 VanDerWaalsContact CA-O 3.31Å; G133-A197 WeakPolarHBondContact CA-O 3.47Å; G133-A197 PolarHBondContact O-N 2.72Å
134L98.4Very high97.1Very high14 Ų1433.9 Ų33.97%0.07321%0.209CC..BIsolated β-bridgetrans-86.2150.1-179.6-47-178.6000110.3R129 E132 T144 R164 V195R129-L134 HydrophobicContact CB-CB 3.93Å; R129-L134 HydrophobicContact CG-CB 3.9Å; R129-L134 HydrophobicContact CG-CD1 4.07Å; R129-L134 PolarHBondContact O-N 2.9Å; E132-L134 VanDerWaalsContact C-N 3.26Å; E132-L134 HydrophobicContact CB-CD1 4.32Å; E132-L134 HydrophobicContact CB-CG 4Å; E132-L134 PolarHBondContact O-N 3.27Å; L134-T144 HydrophobicContact CD1-CG2 3.77Å; L134-R164 VanDerWaalsContact CD2-NH1 3.33Å; L134-V195 HydrophobicContact CD2-CG2 3.73Å
135E97.8Very high97.1Very high34 Ų3433.7 Ų33.716%0.15921%0.208CC..PPolyproline II helixtrans-57.8152.2166.1-69.2165.8-168.900111.8R129 S139 R189 G194R129-E135 VanDerWaalsContact CD-O 3.31Å; R129-E135 WeakPolarHBondContact CD-O 3.46Å; R129-E135 PolarHBondContact NH1-O 3.4Å; E135-S139 WeakPolarHBondContact OE2-CB 3.07Å; E135-S139 PolarHBondContact OE2-OG 2.92Å; E135-R189 VanDerWaalsContact CD-NE 3.33Å; E135-R189 VanDerWaalsContact OE1-CD 3.31Å; E135-R189 WeakPolarHBondContact OE1-CD 3.31Å; E135-R189 WeakPolarHBondContact OE1-CG 3.28Å; E135-R189 IonicContact OE1-CZ 3.24Å; E135-R189 IonicContact OE1-NE 2.81Å; E135-R189 PolarHBondContact OE1-NE 3.01Å; E135-R189 IonicContact OE1-NH2 2.83Å; E135-R189 IonicContact OE2-CZ 2.76Å; E135-R189 IonicContact OE2-NE 3.76Å; E135-R189 PolarHBondContact OE2-NE 3.21Å; E135-R189 IonicContact OE2-NH2 3.85Å; E135-R189 PolarHBondContact OE2-NH2 2.99Å; E135-G194 WeakPolarHBondContact CG-O 3.34Å; E135-G194 PolarHBondContact N-O 3.01Å; E135-G194 WeakPolarHBondContact OE1-CA 3.36Å
136A94.8Very high97.1Very high74 Ų7430.2 Ų30.261%0.61219%0.192SC*.PPolyproline II helixtrans-56.7163.7-179.700000113.3G138 S139A136-G138 PolarHBondContact O-N 3.41Å; A136-S139 WeakPolarHBondContact O-CB 3.46Å; A136-S139 PolarHBondContact O-N 2.91Å
137S90.6Very high97.2Very high69 Ų6928.1 Ų28.148%0.48319%0.185SC..THydrogen-bonded Turntrans-57.4-22.3-174.256.90000115.1S139 R150S137-S139 VanDerWaalsContact C-N 3.26Å; S137-S139 PolarHBondContact O-N 2.88Å; S137-R150 PolarHBondContact O-NH2 3.46Å
138G93.4Very high97.2Very high67 Ų6728.4 Ų28.469%0.69119%0.186SC*.THydrogen-bonded Turntrans-72.6-11.3172.200000115A136 R150A136-G138 PolarHBondContact O-N 3.41Å; G138-R150 PolarHBondContact O-NH1 3.33Å
139S97.1Very high97.2Very high13 Ų1329.1 Ų29.19%0.09119%0.191CC..SBendtrans-56.2156.9179.9176.10000112.7E135 A136 S137 Y141 R150 R189E135-S139 WeakPolarHBondContact OE2-CB 3.07Å; E135-S139 PolarHBondContact OE2-OG 2.92Å; A136-S139 WeakPolarHBondContact O-CB 3.46Å; A136-S139 PolarHBondContact O-N 2.91Å; S137-S139 VanDerWaalsContact C-N 3.26Å; S137-S139 PolarHBondContact O-N 2.88Å; S139-Y141 PolarHBondContact O-N 2.92Å; S139-Y141 PolarHBondContact OG-N 2.89Å; S139-R150 PolarHBondContact O-NH1 3.17Å; S139-R150 PolarHBondContact O-NH2 2.86Å; S139-R189 PolarHBondContact OG-NH2 3.45Å
140V98Very high97.2Very high52 Ų5233.5 Ų33.532%0.31521%0.207SC..SBendtrans-61.7-30.1167.379.50000111.6I142 T149 R150V140-I142 PolarHBondContact O-N 3.37Å; V140-T149 HydrophobicContact CG2-CG2 4.32Å; V140-T149 CarbonylContact O-C 3.34Å; V140-T149 WeakPolarHBondContact O-CA 3.39Å; V140-R150 PolarHBondContact O-N 2.89Å
141Y98.3Very high97.3Very high11 Ų1136.7 Ų36.74%0.04323%0.226CC..BIsolated β-bridgetrans-82.298.3174.2-64.6-73.8000109.7R129 S139 D147 T149 R189 D190 K193R129-Y141 PolarHBondContact NH1-O 2.52Å; R129-Y141 VanDerWaalsContact NH1-O 3.17Å; R129-Y141 PolarHBondContact NH2-O 2.93Å; S139-Y141 PolarHBondContact O-N 2.92Å; S139-Y141 PolarHBondContact OG-N 2.89Å; Y141-D147 WeakPolarHBondContact CD1-O 3.44Å; Y141-T149 HydrophobicContact CD1-CG2 4.4Å; Y141-T149 HydrophobicContact CE1-CG2 3.97Å; Y141-R189 HydrophobicContact CE2-CG 4.39Å; Y141-D190 WeakPolarHBondContact OH-CA 3.31Å; Y141-D190 WeakPolarHBondContact OH-CB 3.22Å; Y141-D190 PolarHBondContact OH-OD1 3.17Å; Y141-K193 HydrophobicContact CD1-CB 4.13Å; Y141-K193 HydrophobicContact CD1-CD 4.36Å; Y141-K193 HydrophobicContact CE1-CB 4.02Å; Y141-K193 HydrophobicContact CE1-CD 3.59Å; Y141-K193 HydrophobicContact CE1-CG 4.44Å
142I98Very high97.3Very high60 Ų6041 Ų4131%0.30825%0.245SC..  trans-81-18.7-164.3-170.8164.7000113.9R129 V140 T148 R150 A153R129-I142 PolarHBondContact NH2-O 3.08Å; V140-I142 PolarHBondContact O-N 3.37Å; I142-T148 HydrophobicContact CG2-CG2 3.73Å; I142-T148 PolarHBondContact N-O 3.02Å; I142-R150 HydrophobicContact CB-CB 4.24Å; I142-R150 HydrophobicContact CD1-CB 4.22Å; I142-R150 HydrophobicContact CD1-CG 3.95Å; I142-A153 HydrophobicContact CG2-CB 3.91Å
143C97.9Very high97.3Very high33 Ų3341.5 Ų41.522%0.22325%0.251CS..  trans-118.9142.4-169.3-162.70000112.3L145 C146 R164C143-L145 VanDerWaalsContact C-N 3.34Å; C143-L145 PolarHBondContact SG-N 3.37Å; C143-C146 WeakPolarHBondContact CB-SG 3.35Å; C143-R164 PolarHBondContact O-NE 3Å
144T98.4Very high97.2Very high20 Ų2044.9 Ų44.912%0.12327%0.274CS..SBendtrans-85.2-8.6170.357.80000112.6E125 V128 R129 L134 R164E125-T144 HydrophobicContact CG-CG2 3.66Å; V128-T144 HydrophobicContact CB-CG2 4.47Å; V128-T144 HydrophobicContact CG1-CG2 3.87Å; R129-T144 HydrophobicContact CG-CG2 3.75Å; L134-T144 HydrophobicContact CD1-CG2 3.77Å; T144-R164 WeakPolarHBondContact O-CB 3.3Å; T144-R164 WeakPolarHBondContact O-CD 3.24Å
145L98.3Very high97.2Very high25 Ų2551.2 Ų51.213%0.13130%0.303CS..SBendtrans-104.3-30.9179.4-67.272000113C143 I162 T163 R164 P205 S206 I207C143-L145 VanDerWaalsContact C-N 3.34Å; C143-L145 PolarHBondContact SG-N 3.37Å; L145-I162 HydrophobicContact CB-CG1 4.31Å; L145-I162 HydrophobicContact CB-CG2 4.3Å; L145-I162 HydrophobicContact CD2-CD1 4.02Å; L145-I162 HydrophobicContact CD2-CG1 4.12Å; L145-I162 CarbonylContact O-C 3.23Å; L145-I162 WeakPolarHBondContact O-CA 3.39Å; L145-T163 PolarHBondContact O-N 3.33Å; L145-R164 PolarHBondContact O-N 3Å; L145-P205 HydrophobicContact CG-CB 4.22Å; L145-S206 WeakPolarHBondContact CD1-O 3.39Å; L145-I207 HydrophobicContact CD1-CG1 4.38Å; L145-I207 HydrophobicContact CD2-CG1 4.36Å
146C97.9Very high97.2Very high10 Ų1052.3 Ų52.37%0.06831%0.31CS..SBendtrans-132.1170.2-176.873.50000112.6C143 T148 H160 S161 T163 R164C143-C146 WeakPolarHBondContact CB-SG 3.35Å; C146-T148 VanDerWaalsContact C-N 3.3Å; C146-T148 PolarHBondContact O-N 3.3Å; C146-T148 WeakPolarHBondContact SG-CG2 3.45Å; C146-H160 HydrophobicContact CB-CB 4.45Å; C146-S161 WeakPolarHBondContact CB-O 3.18Å; C146-T163 WeakPolarHBondContact CA-OG1 3.48Å; C146-R164 PolarHBondContact O-NE 3.17Å
147D98.3Very high97.2Very high34 Ų3454.7 Ų54.718%0.18231%0.312CS..  trans-92.58.2-172.9-61-37.4000114.3Y141 T163 R164 R172 K193Y141-D147 WeakPolarHBondContact CD1-O 3.44Å; D147-T163 PolarHBondContact N-OG1 2.96Å; D147-T163 PolarHBondContact OD1-OG1 3Å; D147-T163 WeakPolarHBondContact OD2-CB 3.47Å; D147-T163 PolarHBondContact OD2-OG1 2.67Å; D147-R164 WeakPolarHBondContact OD1-CG 3.4Å; D147-R164 IonicContact OD1-CZ 3.65Å; D147-R164 IonicContact OD1-NE 2.98Å; D147-R164 IonicContact OD1-NH2 3.11Å; D147-R172 IonicContact OD1-CZ 2.71Å; D147-R172 VanDerWaalsContact OD1-CZ 3.22Å; D147-R172 IonicContact OD1-NH1 3.98Å; D147-R172 PolarHBondContact OD1-NH1 3.17Å; D147-R172 IonicContact OD1-NH2 3.17Å; D147-R172 PolarHBondContact OD1-NH2 2.68Å; D147-R172 IonicContact OD2-CZ 2.91Å; D147-R172 IonicContact OD2-NH1 3.53Å; D147-R172 IonicContact OD2-NH2 2.9Å; D147-R172 PolarHBondContact OD2-NH2 3.4Å; D147-K193 HydrophobicContact CB-CB 4.21Å; D147-K193 HydrophobicContact CB-CD 3.99Å; D147-K193 HydrophobicContact CB-CG 3.86Å
148T97.9Very high97.5Very high6 Ų656.8 Ų56.84%0.03732%0.322CS..  trans-70.7145.8-170.2-1590000111.9I142 C146 E152 A153 H160I142-T148 HydrophobicContact CG2-CG2 3.73Å; I142-T148 PolarHBondContact N-O 3.02Å; C146-T148 VanDerWaalsContact C-N 3.3Å; C146-T148 PolarHBondContact O-N 3.3Å; C146-T148 WeakPolarHBondContact SG-CG2 3.45Å; T148-E152 WeakPolarHBondContact CA-OE2 3.38Å; T148-E152 WeakPolarHBondContact OG1-CB 3.44Å; T148-E152 WeakPolarHBondContact OG1-CG 3.4Å; T148-E152 PolarHBondContact OG1-OE2 3.26Å; T148-A153 HydrophobicContact CG2-CB 3.86Å; T148-H160 PolarHBondContact OG1-CE1 3.02Å
149T98.4Very high97.7Very high35 Ų3561.5 Ų61.522%0.21532%0.323CS..BIsolated β-bridgetrans-79.8158.3168.865.90000110.4V140 Y141 L151 E152 A153V140-T149 HydrophobicContact CG2-CG2 4.32Å; V140-T149 CarbonylContact O-C 3.34Å; V140-T149 WeakPolarHBondContact O-CA 3.39Å; Y141-T149 HydrophobicContact CD1-CG2 4.4Å; Y141-T149 HydrophobicContact CE1-CG2 3.97Å; T149-L151 PolarHBondContact O-N 3.04Å; T149-E152 PolarHBondContact N-OE2 3.41Å; T149-E152 PolarHBondContact O-N 3.47Å; T149-E152 VanDerWaalsContact OG1-CB 3.3Å; T149-E152 WeakPolarHBondContact OG1-CB 3.38Å; T149-E152 PolarHBondContact OG1-N 3.43Å; T149-E152 VanDerWaalsContact OG1-N 3.15Å; T149-A153 WeakPolarHBondContact O-CB 3.41Å; T149-A153 PolarHBondContact O-N 3.43Å
150R97.6Very high97.8Very high95 Ų9564 Ų6436%0.35833%0.333SS..Hα-helixtrans-57.1-35.8175179.5172-62.997.65.3112.2S137 G138 S139 V140 I142 S154S137-R150 PolarHBondContact O-NH2 3.46Å; G138-R150 PolarHBondContact O-NH1 3.33Å; S139-R150 PolarHBondContact O-NH1 3.17Å; S139-R150 PolarHBondContact O-NH2 2.86Å; V140-R150 PolarHBondContact O-N 2.89Å; I142-R150 HydrophobicContact CB-CB 4.24Å; I142-R150 HydrophobicContact CD1-CB 4.22Å; I142-R150 HydrophobicContact CD1-CG 3.95Å; R150-S154 PolarHBondContact O-N 3.42Å
151L97.9Very high97.7Very high113 Ų11366 Ų6659%0.59235%0.35SS*.Hα-helixtrans-70.7-44.1177.9178.762000111.6T149 S154 Q155T149-L151 PolarHBondContact O-N 3.04Å; L151-S154 PolarHBondContact O-N 3.16Å; L151-S154 PolarHBondContact O-OG 2.76Å; L151-Q155 WeakPolarHBondContact O-CG 3.33Å; L151-Q155 PolarHBondContact O-N 3.09Å
152E97.9Very high97.7Very high90 Ų9070.5 Ų70.542%0.42137%0.374SS..Hα-helixtrans-66.2-41.5176.8-176.6-167.9-174.900111.1T148 T149 S154 Q155 N156T148-E152 WeakPolarHBondContact CA-OE2 3.38Å; T148-E152 WeakPolarHBondContact OG1-CB 3.44Å; T148-E152 WeakPolarHBondContact OG1-CG 3.4Å; T148-E152 PolarHBondContact OG1-OE2 3.26Å; T149-E152 PolarHBondContact N-OE2 3.41Å; T149-E152 PolarHBondContact O-N 3.47Å; T149-E152 VanDerWaalsContact OG1-CB 3.3Å; T149-E152 WeakPolarHBondContact OG1-CB 3.38Å; T149-E152 PolarHBondContact OG1-N 3.43Å; T149-E152 VanDerWaalsContact OG1-N 3.15Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 2.84Å; E152-Q155 PolarHBondContact O-N 2.9Å; E152-Q155 VanDerWaalsContact O-N 3.1Å; E152-N156 PolarHBondContact O-N 3.18Å
153A97.8Very high97.7Very high16 Ų1670.2 Ų70.213%0.13238%0.375CS..Hα-helixtrans-59.3-38.6173.900000112.2I142 T148 T149 Q155 L157I142-A153 HydrophobicContact CG2-CB 3.91Å; T148-A153 HydrophobicContact CG2-CB 3.86Å; T149-A153 WeakPolarHBondContact O-CB 3.41Å; T149-A153 PolarHBondContact O-N 3.43Å; A153-Q155 VanDerWaalsContact C-N 3.26Å; A153-Q155 PolarHBondContact O-N 3.23Å; A153-L157 WeakPolarHBondContact O-CA 3.47Å; A153-L157 WeakPolarHBondContact O-CD2 3.49Å; A153-L157 PolarHBondContact O-N 2.97Å
154S97.6Very high97.7Very high72 Ų7268.9 Ų68.950%0.50337%0.365SS..Hα-helixtrans-72.6-18.917871.40000113.8R150 L151 E152R150-S154 PolarHBondContact O-N 3.42Å; L151-S154 PolarHBondContact O-N 3.16Å; L151-S154 PolarHBondContact O-OG 2.76Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 2.84Å
155Q98Very high97.7Very high147 Ų14770.1 Ų70.169%0.68737%0.374SS*.Hα-helixtrans-88.2-43.9175.8-68.8171.3-13.400112.3L151 E152 A153L151-Q155 WeakPolarHBondContact O-CG 3.33Å; L151-Q155 PolarHBondContact O-N 3.09Å; E152-Q155 PolarHBondContact O-N 2.9Å; E152-Q155 VanDerWaalsContact O-N 3.1Å; A153-Q155 VanDerWaalsContact C-N 3.26Å; A153-Q155 PolarHBondContact O-N 3.23Å
156N96.8Very high97.7Very high56 Ų5670.3 Ų70.330%0.29938%0.375SS..Hα-helixtrans-89.3-43-175.4-175-9.5000112.4E152 V158 F159E152-N156 PolarHBondContact O-N 3.18Å; N156-V158 PolarHBondContact O-N 2.99Å; N156-F159 PolarHBondContact ND2-O 3.48Å; N156-F159 VanDerWaalsContact OD1-CB 3.24Å; N156-F159 WeakPolarHBondContact OD1-CB 3.21Å; N156-F159 WeakPolarHBondContact OD1-CD2 3.49Å; N156-F159 PolarHBondContact OD1-N 3.43Å; N156-F159 VanDerWaalsContact OD1-N 3.11Å
157L95.5Very high97.7Very high125 Ų12572.5 Ų72.565%0.65439%0.394SS*.SBendtrans63.2-46.9178.4-59.2165.6000115.9A153A153-L157 WeakPolarHBondContact O-CA 3.47Å; A153-L157 WeakPolarHBondContact O-CD2 3.49Å; A153-L157 PolarHBondContact O-N 2.97Å
158V97.4Very high97.8Very high113 Ų11373.8 Ų73.869%0.68540%0.398SS*.SBendtrans-122.6-16.3-163.6-59.90000114.8N156N156-V158 PolarHBondContact O-N 2.99Å
159F97.4Very high97.8Very high165 Ų16573.6 Ų73.672%0.72440%0.397SS*.  trans-106.380.8-180-58-73000112.2N156N156-F159 PolarHBondContact ND2-O 3.48Å; N156-F159 VanDerWaalsContact OD1-CB 3.24Å; N156-F159 WeakPolarHBondContact OD1-CB 3.21Å; N156-F159 WeakPolarHBondContact OD1-CD2 3.49Å; N156-F159 PolarHBondContact OD1-N 3.43Å; N156-F159 VanDerWaalsContact OD1-N 3.11Å
160H97.6Very high97.8Very high65 Ų6574.6 Ų74.630%0.30140%0.401SS..  trans-129.6125.9174.5-59.6-85.1000110.3C146 T148C146-H160 HydrophobicContact CB-CB 4.45Å; T148-H160 PolarHBondContact OG1-CE1 3.02Å
161S97.8Very high97.9Very high95 Ų9576.4 Ų76.466%0.66441%0.413SS*.  trans-81.2150170.4-62.10000110.3C146 T163C146-S161 WeakPolarHBondContact CB-O 3.18Å; S161-T163 PolarHBondContact O-N 2.98Å
162I98.4Very high97.9Very high106 Ų10672.1 Ų72.154%0.54439%0.39SS..  trans-72.1114.9167.1-57.2179.9000107.3L145 P205L145-I162 HydrophobicContact CB-CG1 4.31Å; L145-I162 HydrophobicContact CB-CG2 4.3Å; L145-I162 HydrophobicContact CD2-CD1 4.02Å; L145-I162 HydrophobicContact CD2-CG1 4.12Å; L145-I162 CarbonylContact O-C 3.23Å; L145-I162 WeakPolarHBondContact O-CA 3.39Å; I162-P205 HydrophobicContact CG2-CB 3.76Å; I162-P205 HydrophobicContact CG2-CG 4.01Å
163T97.3Very high97.9Very high54 Ų5470 Ų7033%0.33138%0.378SS..  trans-111.2-37.717858.10000111.3L145 C146 D147 S161L145-T163 PolarHBondContact O-N 3.33Å; C146-T163 WeakPolarHBondContact CA-OG1 3.48Å; D147-T163 PolarHBondContact N-OG1 2.96Å; D147-T163 PolarHBondContact OD1-OG1 3Å; D147-T163 WeakPolarHBondContact OD2-CB 3.47Å; D147-T163 PolarHBondContact OD2-OG1 2.67Å; S161-T163 PolarHBondContact O-N 2.98Å
164R98.4Very high98Very high5 Ų572.4 Ų72.42%0.01939%0.386CS..  trans-70.6143.6-177.3-64.7-176.8-173.7-93.90.6112.1L134 C143 T144 L145 C146 D147 K193L134-R164 VanDerWaalsContact CD2-NH1 3.33Å; C143-R164 PolarHBondContact O-NE 3Å; T144-R164 WeakPolarHBondContact O-CB 3.3Å; T144-R164 WeakPolarHBondContact O-CD 3.24Å; L145-R164 PolarHBondContact O-N 3Å; C146-R164 PolarHBondContact O-NE 3.17Å; D147-R164 WeakPolarHBondContact OD1-CG 3.4Å; D147-R164 IonicContact OD1-CZ 3.65Å; D147-R164 IonicContact OD1-NE 2.98Å; D147-R164 IonicContact OD1-NH2 3.11Å; R164-K193 PolarHBondContact NH1-O 3.32Å; R164-K193 PolarHBondContact NH2-O 3.29Å
165S98.4Very high98.1Very high45 Ų4570.7 Ų70.732%0.31537%0.373SS..  trans-152160.5169.365.30000108.9A167 E168 N169S165-A167 VanDerWaalsContact C-N 3.27Å; S165-A167 PolarHBondContact O-N 3.35Å; S165-E168 PolarHBondContact O-N 3.01Å; S165-E168 VanDerWaalsContact O-N 3.13Å; S165-E168 WeakPolarHBondContact OG-CB 3.48Å; S165-E168 PolarHBondContact OG-N 3.19Å; S165-N169 VanDerWaalsContact O-CG 3.26Å; S165-N169 PolarHBondContact O-N 3.49Å; S165-N169 PolarHBondContact O-ND2 2.63Å
166H98.3Very high98.1Very high29 Ų2966.9 Ų66.913%0.13435%0.352CS..Hα-helixtrans-53.7-44.6177-174.469.3000113.1E132 E168 N169 L170 I201 E202E132-H166 IonicContact OE1-CG 2.98Å; E132-H166 IonicContact OE1-ND1 3.23Å; E132-H166 WeakPolarHBondContact OE2-CA 3.42Å; E132-H166 IonicContact OE2-CG 2.74Å; E132-H166 IonicContact OE2-ND1 2.85Å; E132-H166 PolarHBondContact OE2-ND1 3.29Å; E132-H166 VanDerWaalsContact OE2-ND1 3.17Å; H166-E168 PolarHBondContact O-N 2.88Å; H166-N169 PolarHBondContact O-N 2.88Å; H166-L170 WeakPolarHBondContact O-CG 3.18Å; H166-L170 PolarHBondContact O-N 3.18Å; H166-I201 PolarHBondContact CE1-O 3.18Å; H166-I201 PolarHBondContact ND1-O 3.06Å; H166-E202 HydrophobicContact CB-CB 4.02Å; H166-E202 HydrophobicContact CB-CG 3.61Å; H166-E202 VanDerWaalsContact CG-CA 3.48Å; H166-E202 WeakPolarHBondContact ND1-CA 3.46Å
167A97.9Very high98.2Very high57 Ų5771.1 Ų71.147%0.47136%0.364SS..Hα-helixtrans-63.3-41.7178.800000112.2S165 L170 Q171S165-A167 VanDerWaalsContact C-N 3.27Å; S165-A167 PolarHBondContact O-N 3.35Å; A167-L170 PolarHBondContact O-N 2.82Å; A167-Q171 WeakPolarHBondContact O-CG 3.32Å; A167-Q171 PolarHBondContact O-N 3.4Å
168E98.6Very high98.3Very high60 Ų6068.1 Ų68.128%0.2835%0.354SS..Hα-helixtrans-69.1-39.7176.6-178.1165.6168.300111.9S165 H166 L170 Q171 R172S165-E168 PolarHBondContact O-N 3.01Å; S165-E168 VanDerWaalsContact O-N 3.13Å; S165-E168 WeakPolarHBondContact OG-CB 3.48Å; S165-E168 PolarHBondContact OG-N 3.19Å; H166-E168 PolarHBondContact O-N 2.88Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 3.23Å; E168-Q171 WeakPolarHBondContact O-CB 3.38Å; E168-Q171 PolarHBondContact O-N 3.48Å; E168-R172 HydrophobicContact CG-CG 4.41Å; E168-R172 WeakPolarHBondContact O-CB 3.14Å; E168-R172 VanDerWaalsContact O-CG 3.31Å; E168-R172 WeakPolarHBondContact O-CG 3.09Å; E168-R172 PolarHBondContact O-N 3.3Å; E168-R172 IonicContact OE1-CZ 2.72Å; E168-R172 IonicContact OE1-NE 3.37Å; E168-R172 PolarHBondContact OE1-NE 2.73Å; E168-R172 VanDerWaalsContact OE1-NE 3.16Å; E168-R172 IonicContact OE1-NH2 3.87Å; E168-R172 PolarHBondContact OE1-NH2 3.06Å
169N98.8Very high98.4Very high3 Ų364.6 Ų64.62%0.01633%0.331CS..Hα-helixtrans-62.3-38.8175.3-66.7-25.3000111E132 S165 H166 Q171 R172 Y173 V195 P199E132-N169 PolarHBondContact OE2-ND2 3.21Å; S165-N169 VanDerWaalsContact O-CG 3.26Å; S165-N169 PolarHBondContact O-N 3.49Å; S165-N169 PolarHBondContact O-ND2 2.63Å; H166-N169 PolarHBondContact O-N 2.88Å; N169-Q171 VanDerWaalsContact C-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.03Å; N169-R172 PolarHBondContact O-N 3.35Å; N169-Y173 WeakPolarHBondContact O-CB 3.39Å; N169-Y173 PolarHBondContact O-N 3.42Å; N169-V195 HydrophobicContact CB-CG1 4.41Å; N169-P199 HydrophobicContact CB-CB 4.39Å; N169-P199 HydrophobicContact CB-CG 3.47Å; N169-P199 VanDerWaalsContact CB-CG 3.47Å
170L98.8Very high98.4Very high55 Ų5559.9 Ų59.929%0.28832%0.317SS..Hα-helixtrans-60.8-44.5174.8-79.2166000111.2H166 A167 E168 Y173 E174 K198 P199H166-L170 WeakPolarHBondContact O-CG 3.18Å; H166-L170 PolarHBondContact O-N 3.18Å; A167-L170 PolarHBondContact O-N 2.82Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 3.23Å; L170-Y173 PolarHBondContact O-N 3.01Å; L170-E174 WeakPolarHBondContact O-CG 3.38Å; L170-E174 PolarHBondContact O-N 3.24Å; L170-K198 HydrophobicContact CD2-CG 4.37Å; L170-P199 HydrophobicContact CD2-CB 4.18Å; L170-P199 HydrophobicContact CD2-CG 4.25Å; L170-P199 HydrophobicContact CG-CB 4.18Å; L170-P199 HydrophobicContact CG-CG 4.18Å
171Q98.7Very high98.5Very high133 Ų13363.2 Ų63.262%0.62133%0.328SS*.Hα-helixtrans-63.3-43.5176.8-68.1170.8300111.7A167 E168 N169 E174 V175A167-Q171 WeakPolarHBondContact O-CG 3.32Å; A167-Q171 PolarHBondContact O-N 3.4Å; E168-Q171 WeakPolarHBondContact O-CB 3.38Å; E168-Q171 PolarHBondContact O-N 3.48Å; N169-Q171 VanDerWaalsContact C-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.03Å; Q171-E174 PolarHBondContact O-N 3.19Å; Q171-E174 VanDerWaalsContact O-N 3.17Å; Q171-V175 WeakPolarHBondContact O-CG2 3.45Å; Q171-V175 PolarHBondContact O-N 3.3Å
172R98.8Very high98.5Very high24 Ų2466.6 Ų66.69%0.09133%0.333CS..Hα-helixtrans-62.6-41.5176.8-73.8171.6176.9-163.4-1.9112.1D147 E168 N169 E174 V175 W176 V192 V195D147-R172 IonicContact OD1-CZ 2.71Å; D147-R172 VanDerWaalsContact OD1-CZ 3.22Å; D147-R172 IonicContact OD1-NH1 3.98Å; D147-R172 PolarHBondContact OD1-NH1 3.17Å; D147-R172 IonicContact OD1-NH2 3.17Å; D147-R172 PolarHBondContact OD1-NH2 2.68Å; D147-R172 IonicContact OD2-CZ 2.91Å; D147-R172 IonicContact OD2-NH1 3.53Å; D147-R172 IonicContact OD2-NH2 2.9Å; D147-R172 PolarHBondContact OD2-NH2 3.4Å; E168-R172 HydrophobicContact CG-CG 4.41Å; E168-R172 WeakPolarHBondContact O-CB 3.14Å; E168-R172 VanDerWaalsContact O-CG 3.31Å; E168-R172 WeakPolarHBondContact O-CG 3.09Å; E168-R172 PolarHBondContact O-N 3.3Å; E168-R172 IonicContact OE1-CZ 2.72Å; E168-R172 IonicContact OE1-NE 3.37Å; E168-R172 PolarHBondContact OE1-NE 2.73Å; E168-R172 VanDerWaalsContact OE1-NE 3.16Å; E168-R172 IonicContact OE1-NH2 3.87Å; E168-R172 PolarHBondContact OE1-NH2 3.06Å; N169-R172 PolarHBondContact O-N 3.35Å; R172-E174 VanDerWaalsContact C-N 3.33Å; R172-E174 PolarHBondContact O-N 3.35Å; R172-V175 WeakPolarHBondContact O-CB 3.21Å; R172-V175 PolarHBondContact O-N 3.38Å; R172-W176 PolarHBondContact O-N 2.7Å; R172-V192 HydrophobicContact CB-CB 4.12Å; R172-V192 VanDerWaalsContact O-CG1 3.27Å; R172-V192 WeakPolarHBondContact O-CG1 3.49Å; R172-V195 HydrophobicContact CB-CB 3.88Å; R172-V195 HydrophobicContact CB-CG1 4.21Å; R172-V195 HydrophobicContact CB-CG2 3.97Å
173Y98.8Very high98.5Very high44 Ų4463.3 Ų63.317%0.17332%0.315CS..Hα-helixtrans-61.8-41172.7170.1-101.1000111.8N169 L170 V175 W176 R177 A197 K198N169-Y173 WeakPolarHBondContact O-CB 3.39Å; N169-Y173 PolarHBondContact O-N 3.42Å; L170-Y173 PolarHBondContact O-N 3.01Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.26Å; Y173-W176 WeakPolarHBondContact O-CB 3.3Å; Y173-W176 PolarHBondContact O-N 2.83Å; Y173-R177 HydrophobicContact CE1-CB 4.3Å; Y173-R177 HydrophobicContact CE2-CB 4.41Å; Y173-R177 VanDerWaalsContact O-CB 3.29Å; Y173-R177 WeakPolarHBondContact O-CB 3.46Å; Y173-R177 PolarHBondContact O-N 3.06Å; Y173-A197 VanDerWaalsContact CD2-O 3.26Å; Y173-A197 WeakPolarHBondContact CD2-O 3.48Å; Y173-K198 HydrophobicContact CD1-CB 3.76Å; Y173-K198 HydrophobicContact CD1-CD 4.17Å; Y173-K198 HydrophobicContact CD1-CG 3.63Å; Y173-K198 HydrophobicContact CD2-CB 4.1Å; Y173-K198 VanDerWaalsContact CD2-N 3.34Å; Y173-K198 HydrophobicContact CE1-CB 3.57Å; Y173-K198 HydrophobicContact CE1-CD 3.75Å; Y173-K198 HydrophobicContact CE1-CG 3.61Å; Y173-K198 HydrophobicContact CE2-CB 3.91Å; Y173-K198 HydrophobicContact CG-CB 4.01Å; Y173-K198 HydrophobicContact CG-CG 4.23Å
174E98.8Very high98.6Very high67 Ų6763.1 Ų63.131%0.31332%0.316SS..Hα-helixtrans-65.2-35.1176.1-69.7-55.8145.400112.1L170 Q171 R172 R177 S178L170-E174 WeakPolarHBondContact O-CG 3.38Å; L170-E174 PolarHBondContact O-N 3.24Å; Q171-E174 PolarHBondContact O-N 3.19Å; Q171-E174 VanDerWaalsContact O-N 3.17Å; R172-E174 VanDerWaalsContact C-N 3.33Å; R172-E174 PolarHBondContact O-N 3.35Å; E174-R177 IonicContact OE1-NE 3.96Å; E174-R177 IonicContact OE2-CZ 2.69Å; E174-R177 VanDerWaalsContact OE2-CZ 3.23Å; E174-R177 IonicContact OE2-NE 2.63Å; E174-R177 PolarHBondContact OE2-NE 2.97Å; E174-R177 IonicContact OE2-NH2 2.71Å; E174-R177 PolarHBondContact OE2-NH2 2.84Å; E174-S178 VanDerWaalsContact O-CB 3.29Å; E174-S178 WeakPolarHBondContact O-CB 3.24Å; E174-S178 PolarHBondContact O-N 3.44Å; E174-S178 PolarHBondContact O-OG 3.29Å
175V98.8Very high98.6Very high37 Ų3766.8 Ų66.822%0.22434%0.339CS..Hα-helixtrans-63.8-46.3170.4174.30000111Q171 R172 Y173 R177 N179 P180 Y181 L188 R191 V192Q171-V175 WeakPolarHBondContact O-CG2 3.45Å; Q171-V175 PolarHBondContact O-N 3.3Å; R172-V175 WeakPolarHBondContact O-CB 3.21Å; R172-V175 PolarHBondContact O-N 3.38Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.26Å; V175-R177 PolarHBondContact O-N 3.04Å; V175-N179 VanDerWaalsContact O-CA 3.31Å; V175-N179 WeakPolarHBondContact O-CA 3.34Å; V175-N179 PolarHBondContact O-N 3.05Å; V175-P180 HydrophobicContact CG1-CG 4.45Å; V175-P180 WeakPolarHBondContact O-CD 3.17Å; V175-Y181 HydrophobicContact CG1-CD2 4.34Å; V175-Y181 HydrophobicContact CG1-CE2 4.23Å; V175-L188 HydrophobicContact CG1-CD1 4.1Å; V175-R191 HydrophobicContact CG1-CG 4.2Å; V175-V192 HydrophobicContact CB-CG1 3.97Å; V175-V192 HydrophobicContact CG1-CG1 3.78Å
176W98.8Very high98.5Very high66 Ų6670.9 Ų70.925%0.2535%0.353CS..Hα-helixtrans-57.8-49.4176.1171.6-100.9000111.6R172 Y173 V185 L188 R189 V192 S196R172-W176 PolarHBondContact O-N 2.7Å; Y173-W176 WeakPolarHBondContact O-CB 3.3Å; Y173-W176 PolarHBondContact O-N 2.83Å; W176-V185 HydrophobicContact CH2-CG2 3.7Å; W176-V185 HydrophobicContact CZ3-CG2 4.22Å; W176-L188 HydrophobicContact CD2-CD2 4.31Å; W176-L188 HydrophobicContact CE3-CB 4.48Å; W176-L188 HydrophobicContact CE3-CD2 3.77Å; W176-L188 HydrophobicContact CE3-CG 3.78Å; W176-L188 HydrophobicContact CZ3-CB 4.47Å; W176-L188 HydrophobicContact CZ3-CD2 4.19Å; W176-L188 HydrophobicContact CZ3-CG 4.23Å; W176-L188 WeakPolarHBondContact O-CD2 3.39Å; W176-R189 HydrophobicContact CZ3-CB 4.06Å; W176-V192 HydrophobicContact CB-CG1 4.06Å; W176-V192 HydrophobicContact CB-CG2 4.31Å; W176-V192 HydrophobicContact CE3-CG2 3.9Å; W176-S196 PolarHBondContact NE1-O 2.84Å; W176-S196 VanDerWaalsContact NE1-O 3.08Å
177R98.7Very high98.5Very high145 Ų14574.9 Ų74.955%0.54737%0.372SS..Hα-helixtrans-67.6-41.3-176.7-172.3-168.165.3721.8112.6Y173 E174 V175Y173-R177 HydrophobicContact CE1-CB 4.3Å; Y173-R177 HydrophobicContact CE2-CB 4.41Å; Y173-R177 VanDerWaalsContact O-CB 3.29Å; Y173-R177 WeakPolarHBondContact O-CB 3.46Å; Y173-R177 PolarHBondContact O-N 3.06Å; E174-R177 IonicContact OE1-NE 3.96Å; E174-R177 IonicContact OE2-CZ 2.69Å; E174-R177 VanDerWaalsContact OE2-CZ 3.23Å; E174-R177 IonicContact OE2-NE 2.63Å; E174-R177 PolarHBondContact OE2-NE 2.97Å; E174-R177 IonicContact OE2-NH2 2.71Å; E174-R177 PolarHBondContact OE2-NH2 2.84Å; V175-R177 PolarHBondContact O-N 3.04Å
178S98.6Very high98.6Very high62 Ų6272.6 Ų72.643%0.43435%0.352SS..Hα-helixtrans-88.8-20.8-176620000113.7E174 P180E174-S178 VanDerWaalsContact O-CB 3.29Å; E174-S178 WeakPolarHBondContact O-CB 3.24Å; E174-S178 PolarHBondContact O-N 3.44Å; E174-S178 PolarHBondContact O-OG 3.29Å; S178-P180 WeakPolarHBondContact OG-CD 3.35Å
179N98.6Very high98.6Very high39 Ų3973.3 Ų73.321%0.20935%0.352CS..  trans37.161.9-172.9-168.60.7000112.5V175 Y181 H182 E183 L188V175-N179 VanDerWaalsContact O-CA 3.31Å; V175-N179 WeakPolarHBondContact O-CA 3.34Å; V175-N179 PolarHBondContact O-N 3.05Å; N179-Y181 PolarHBondContact O-N 3.24Å; N179-Y181 VanDerWaalsContact O-N 3.12Å; N179-H182 PolarHBondContact O-N 2.68Å; N179-H182 VanDerWaalsContact O-N 3.08Å; N179-H182 WeakPolarHBondContact OD1-CA 3.35Å; N179-H182 PolarHBondContact OD1-N 2.87Å; N179-E183 PolarHBondContact ND2-N 3.41Å; N179-E183 PolarHBondContact ND2-O 3.41Å; N179-E183 PolarHBondContact OD1-N 2.95Å; N179-L188 HydrophobicContact CB-CD1 4.5Å; N179-L188 HydrophobicContact CB-CD2 3.84Å
180P98.4Very high98.6Very high67 Ų6776.7 Ų76.744%0.43537%0.37SS..THydrogen-bonded Turntrans-70.3-12.4-172.330.8-33.7000112.5V175 S178V175-P180 HydrophobicContact CG1-CG 4.45Å; V175-P180 WeakPolarHBondContact O-CD 3.17Å; S178-P180 WeakPolarHBondContact OG-CD 3.35Å
181Y98.3Very high98.6Very high134 Ų13479.1 Ų79.153%0.52538%0.375SS..THydrogen-bonded Turntrans-98-2.6178.2-57.7-74.7000112.9V175 N179 E183 R191V175-Y181 HydrophobicContact CG1-CD2 4.34Å; V175-Y181 HydrophobicContact CG1-CE2 4.23Å; N179-Y181 PolarHBondContact O-N 3.24Å; N179-Y181 VanDerWaalsContact O-N 3.12Å; Y181-E183 PolarHBondContact O-N 3.04Å; Y181-R191 VanDerWaalsContact CD2-NE 3.34Å
182H98.1Very high98.6Very high166 Ų16672.8 Ų72.877%0.76935%0.346SS*.  trans51.839.1-177.8-54.8-61.4000113.5N179N179-H182 PolarHBondContact O-N 2.68Å; N179-H182 VanDerWaalsContact O-N 3.08Å; N179-H182 WeakPolarHBondContact OD1-CA 3.35Å; N179-H182 PolarHBondContact OD1-N 2.87Å
183E98.6Very high98.6Very high38 Ų3874 Ų7418%0.17835%0.352CS..  trans-78155.2-179.2-75174.716500111.3N179 Y181 E187 L188 R191N179-E183 PolarHBondContact ND2-N 3.41Å; N179-E183 PolarHBondContact ND2-O 3.41Å; N179-E183 PolarHBondContact OD1-N 2.95Å; Y181-E183 PolarHBondContact O-N 3.04Å; E183-E187 HydrophobicContact CB-CB 3.85Å; E183-E187 HydrophobicContact CG-CB 4.18Å; E183-L188 HydrophobicContact CB-CB 4.01Å; E183-L188 WeakPolarHBondContact OE2-CA 3.19Å; E183-R191 IonicContact OE1-CZ 3.14Å; E183-R191 IonicContact OE1-NE 2.84Å; E183-R191 PolarHBondContact OE1-NE 3.4Å; E183-R191 IonicContact OE1-NH2 2.63Å; E183-R191 PolarHBondContact OE1-NH2 3.42Å; E183-R191 VanDerWaalsContact OE2-CD 3.28Å; E183-R191 WeakPolarHBondContact OE2-CD 3.41Å; E183-R191 IonicContact OE2-CZ 3.84Å; E183-R191 IonicContact OE2-NE 2.79Å; E183-R191 PolarHBondContact OE2-NE 2.75Å
184S98.5Very high98.5Very high50 Ų5072 Ų7235%0.3534%0.344SS..  trans-61.5165.9165.463.10000110.9E186 E187 L188S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E186 PolarHBondContact O-N 2.8Å; S184-E187 WeakPolarHBondContact CB-OE2 3.48Å; S184-E187 PolarHBondContact N-OE2 2.92Å; S184-E187 PolarHBondContact O-N 2.94Å; S184-E187 WeakPolarHBondContact OG-CB 3.45Å; S184-E187 VanDerWaalsContact OG-CG 3.24Å; S184-E187 WeakPolarHBondContact OG-CG 3.35Å; S184-E187 PolarHBondContact OG-N 3.22Å; S184-E187 PolarHBondContact OG-OE2 3.26Å; S184-L188 WeakPolarHBondContact O-CB 3.43Å; S184-L188 PolarHBondContact O-N 3Å
185V98.4Very high98.5Very high82 Ų8268.8 Ų68.850%0.49733%0.329SS..Hα-helixtrans-63-36.7-177.866.10000111.8W176 R189W176-V185 HydrophobicContact CH2-CG2 3.7Å; W176-V185 HydrophobicContact CZ3-CG2 4.22Å; V185-R189 WeakPolarHBondContact O-CB 3.39Å; V185-R189 PolarHBondContact O-N 3.39Å
186E98.1Very high98.5Very high130 Ų13069.1 Ų69.161%0.60733%0.333SS*.Hα-helixtrans-69.7-43.4178.1-65.874.7-161.700112.4S184 D190S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E186 PolarHBondContact O-N 2.8Å; E186-D190 PolarHBondContact O-N 3.05Å
187E98.5Very high98.5Very high114 Ų11468 Ų6853%0.53334%0.338SS..Hα-helixtrans-65.6-45.4176.8-71.4163.8155.300111.1E183 S184 D190 R191E183-E187 HydrophobicContact CB-CB 3.85Å; E183-E187 HydrophobicContact CG-CB 4.18Å; S184-E187 WeakPolarHBondContact CB-OE2 3.48Å; S184-E187 PolarHBondContact N-OE2 2.92Å; S184-E187 PolarHBondContact O-N 2.94Å; S184-E187 WeakPolarHBondContact OG-CB 3.45Å; S184-E187 VanDerWaalsContact OG-CG 3.24Å; S184-E187 WeakPolarHBondContact OG-CG 3.35Å; S184-E187 PolarHBondContact OG-N 3.22Å; S184-E187 PolarHBondContact OG-OE2 3.26Å; E187-D190 PolarHBondContact O-N 3.42Å; E187-R191 PolarHBondContact O-N 2.77Å
188L98.8Very high98.5Very high9 Ų966.3 Ų66.35%0.04734%0.335CS..Hα-helixtrans-64.1-42.9177.8-175.363000111.1V175 W176 N179 E183 S184 D190 R191 V192V175-L188 HydrophobicContact CG1-CD1 4.1Å; W176-L188 HydrophobicContact CD2-CD2 4.31Å; W176-L188 HydrophobicContact CE3-CB 4.48Å; W176-L188 HydrophobicContact CE3-CD2 3.77Å; W176-L188 HydrophobicContact CE3-CG 3.78Å; W176-L188 HydrophobicContact CZ3-CB 4.47Å; W176-L188 HydrophobicContact CZ3-CD2 4.19Å; W176-L188 HydrophobicContact CZ3-CG 4.23Å; W176-L188 WeakPolarHBondContact O-CD2 3.39Å; N179-L188 HydrophobicContact CB-CD1 4.5Å; N179-L188 HydrophobicContact CB-CD2 3.84Å; E183-L188 HydrophobicContact CB-CB 4.01Å; E183-L188 WeakPolarHBondContact OE2-CA 3.19Å; S184-L188 WeakPolarHBondContact O-CB 3.43Å; S184-L188 PolarHBondContact O-N 3Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 PolarHBondContact O-N 2.76Å; L188-R191 WeakPolarHBondContact O-CB 3.36Å; L188-R191 PolarHBondContact O-N 2.83Å; L188-R191 VanDerWaalsContact O-N 3.16Å; L188-V192 HydrophobicContact CD1-CG1 4.37Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.5Å; L188-V192 PolarHBondContact O-N 3.37Å
189R98.6Very high98.4Very high75 Ų7563.8 Ų63.828%0.28332%0.317SS..Hα-helixtrans-57.6-41.9174.5176.5-178.8176.8-113.91.5111.3E135 S139 Y141 W176 V185 K193 G194E135-R189 VanDerWaalsContact CD-NE 3.33Å; E135-R189 VanDerWaalsContact OE1-CD 3.31Å; E135-R189 WeakPolarHBondContact OE1-CD 3.31Å; E135-R189 WeakPolarHBondContact OE1-CG 3.28Å; E135-R189 IonicContact OE1-CZ 3.24Å; E135-R189 IonicContact OE1-NE 2.81Å; E135-R189 PolarHBondContact OE1-NE 3.01Å; E135-R189 IonicContact OE1-NH2 2.83Å; E135-R189 IonicContact OE2-CZ 2.76Å; E135-R189 IonicContact OE2-NE 3.76Å; E135-R189 PolarHBondContact OE2-NE 3.21Å; E135-R189 IonicContact OE2-NH2 3.85Å; E135-R189 PolarHBondContact OE2-NH2 2.99Å; S139-R189 PolarHBondContact OG-NH2 3.45Å; Y141-R189 HydrophobicContact CE2-CG 4.39Å; W176-R189 HydrophobicContact CZ3-CB 4.06Å; V185-R189 WeakPolarHBondContact O-CB 3.39Å; V185-R189 PolarHBondContact O-N 3.39Å; R189-K193 WeakPolarHBondContact O-CA 3.31Å; R189-K193 PolarHBondContact O-N 2.84Å; R189-G194 PolarHBondContact O-N 3.47Å
190D98.6Very high98.4Very high74 Ų7463.7 Ų63.740%0.39632%0.315SS..Hα-helixtrans-67.3-45.1173.7-179.965.1000112Y141 E186 E187 L188 V192 K193Y141-D190 WeakPolarHBondContact OH-CA 3.31Å; Y141-D190 WeakPolarHBondContact OH-CB 3.22Å; Y141-D190 PolarHBondContact OH-OD1 3.17Å; E186-D190 PolarHBondContact O-N 3.05Å; E187-D190 PolarHBondContact O-N 3.42Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 PolarHBondContact O-N 2.76Å; D190-V192 VanDerWaalsContact C-N 3.26Å; D190-V192 PolarHBondContact O-N 3.27Å; D190-K193 WeakPolarHBondContact O-CD 3.41Å; D190-K193 WeakPolarHBondContact O-CE 3.47Å; D190-K193 WeakPolarHBondContact O-CG 3.49Å; D190-K193 PolarHBondContact O-N 3.13Å; D190-K193 PolarHBondContact O-NZ 2.88Å; D190-K193 IonicContact OD1-NZ 2.75Å; D190-K193 PolarHBondContact OD1-NZ 3.2Å; D190-K193 IonicContact OD2-NZ 3.52Å; D190-K193 PolarHBondContact OD2-NZ 3.42Å
191R98.6Very high98.3Very high105 Ų10560.6 Ų60.640%0.39629%0.294SS..Hα-helixtrans-52.8-44.9176.6174.6173.1-63.6-75.4-3.8112.5V175 Y181 E183 E187 L188 K193V175-R191 HydrophobicContact CG1-CG 4.2Å; Y181-R191 VanDerWaalsContact CD2-NE 3.34Å; E183-R191 IonicContact OE1-CZ 3.14Å; E183-R191 IonicContact OE1-NE 2.84Å; E183-R191 PolarHBondContact OE1-NE 3.4Å; E183-R191 IonicContact OE1-NH2 2.63Å; E183-R191 PolarHBondContact OE1-NH2 3.42Å; E183-R191 VanDerWaalsContact OE2-CD 3.28Å; E183-R191 WeakPolarHBondContact OE2-CD 3.41Å; E183-R191 IonicContact OE2-CZ 3.84Å; E183-R191 IonicContact OE2-NE 2.79Å; E183-R191 PolarHBondContact OE2-NE 2.75Å; E187-R191 PolarHBondContact O-N 2.77Å; L188-R191 WeakPolarHBondContact O-CB 3.36Å; L188-R191 PolarHBondContact O-N 2.83Å; L188-R191 VanDerWaalsContact O-N 3.16Å; R191-K193 VanDerWaalsContact C-N 3.3Å
192V98.7Very high98.2Very high1 Ų156.7 Ų56.71%0.00628%0.281CS..THydrogen-bonded Turntrans-88.91.6-179.5-53.20000113.1R172 V175 W176 L188 D190 G194 V195R172-V192 HydrophobicContact CB-CB 4.12Å; R172-V192 VanDerWaalsContact O-CG1 3.27Å; R172-V192 WeakPolarHBondContact O-CG1 3.49Å; V175-V192 HydrophobicContact CB-CG1 3.97Å; V175-V192 HydrophobicContact CG1-CG1 3.78Å; W176-V192 HydrophobicContact CB-CG1 4.06Å; W176-V192 HydrophobicContact CB-CG2 4.31Å; W176-V192 HydrophobicContact CE3-CG2 3.9Å; L188-V192 HydrophobicContact CD1-CG1 4.37Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.5Å; L188-V192 PolarHBondContact O-N 3.37Å; D190-V192 VanDerWaalsContact C-N 3.26Å; D190-V192 PolarHBondContact O-N 3.27Å; V192-G194 VanDerWaalsContact C-N 3.27Å; V192-G194 PolarHBondContact O-N 3.2Å; V192-V195 WeakPolarHBondContact CG2-O 3.31Å; V192-V195 WeakPolarHBondContact O-CG2 3.37Å; V192-V195 PolarHBondContact O-N 3.43Å
193K98.6Very high98.2Very high49 Ų4949.3 Ų49.321%0.21325%0.248CC..THydrogen-bonded Turntrans51.646.2178.5-54.6-71.4176.4-110.80111.8Y141 D147 R164 R189 D190 R191 V195Y141-K193 HydrophobicContact CD1-CB 4.13Å; Y141-K193 HydrophobicContact CD1-CD 4.36Å; Y141-K193 HydrophobicContact CE1-CB 4.02Å; Y141-K193 HydrophobicContact CE1-CD 3.59Å; Y141-K193 HydrophobicContact CE1-CG 4.44Å; D147-K193 HydrophobicContact CB-CB 4.21Å; D147-K193 HydrophobicContact CB-CD 3.99Å; D147-K193 HydrophobicContact CB-CG 3.86Å; R164-K193 PolarHBondContact NH1-O 3.32Å; R164-K193 PolarHBondContact NH2-O 3.29Å; R189-K193 WeakPolarHBondContact O-CA 3.31Å; R189-K193 PolarHBondContact O-N 2.84Å; D190-K193 WeakPolarHBondContact O-CD 3.41Å; D190-K193 WeakPolarHBondContact O-CE 3.47Å; D190-K193 WeakPolarHBondContact O-CG 3.49Å; D190-K193 PolarHBondContact O-N 3.13Å; D190-K193 PolarHBondContact O-NZ 2.88Å; D190-K193 IonicContact OD1-NZ 2.75Å; D190-K193 PolarHBondContact OD1-NZ 3.2Å; D190-K193 IonicContact OD2-NZ 3.52Å; D190-K193 PolarHBondContact OD2-NZ 3.42Å; R191-K193 VanDerWaalsContact C-N 3.3Å; K193-V195 PolarHBondContact O-N 2.94Å
194G98.1Very high98Very high2 Ų249.6 Ų49.62%0.02125%0.252CS..THydrogen-bonded Turntrans71.82117700000115.8E135 R189 V192E135-G194 WeakPolarHBondContact CG-O 3.34Å; E135-G194 PolarHBondContact N-O 3.01Å; E135-G194 WeakPolarHBondContact OE1-CA 3.36Å; R189-G194 PolarHBondContact O-N 3.47Å; V192-G194 VanDerWaalsContact C-N 3.27Å; V192-G194 PolarHBondContact O-N 3.2Å
195V98.8Very high97.8Very high0 Ų049.6 Ų49.60%025%0.251CS..BIsolated β-bridgetrans-86.1100165.6-173.70000109.1G133 L134 N169 R172 V192 K193G133-V195 CarbonylContact O-C 3.52Å; G133-V195 WeakPolarHBondContact O-CA 3.5Å; L134-V195 HydrophobicContact CD2-CG2 3.73Å; N169-V195 HydrophobicContact CB-CG1 4.41Å; R172-V195 HydrophobicContact CB-CB 3.88Å; R172-V195 HydrophobicContact CB-CG1 4.21Å; R172-V195 HydrophobicContact CB-CG2 3.97Å; V192-V195 WeakPolarHBondContact CG2-O 3.31Å; V192-V195 WeakPolarHBondContact O-CG2 3.37Å; V192-V195 PolarHBondContact O-N 3.43Å; K193-V195 PolarHBondContact O-N 2.94Å
196S98Very high97.7Very high44 Ų4448.3 Ų48.331%0.30825%0.245SC..  trans-116.2-8-175.162.80000114.1G133 W176G133-S196 PolarHBondContact O-N 2.71Å; W176-S196 PolarHBondContact NE1-O 2.84Å; W176-S196 VanDerWaalsContact NE1-O 3.08Å
197A98.3Very high97.7Very high42 Ų4247.2 Ų47.235%0.34724%0.242SC..SBendtrans-121.6161.4175.400000110.1G133 Y173 P199G133-A197 VanDerWaalsContact CA-O 3.31Å; G133-A197 WeakPolarHBondContact CA-O 3.47Å; G133-A197 PolarHBondContact O-N 2.72Å; Y173-A197 VanDerWaalsContact CD2-O 3.26Å; Y173-A197 WeakPolarHBondContact CD2-O 3.48Å; A197-P199 WeakPolarHBondContact O-CD 3.46Å
198K98.5Very high97.7Very high110 Ų11043.8 Ų43.848%0.47823%0.227SC..  trans-77.3123.8-178.9-168.6172.6-177.3175.40109.5L170 Y173 F200L170-K198 HydrophobicContact CD2-CG 4.37Å; Y173-K198 HydrophobicContact CD1-CB 3.76Å; Y173-K198 HydrophobicContact CD1-CD 4.17Å; Y173-K198 HydrophobicContact CD1-CG 3.63Å; Y173-K198 HydrophobicContact CD2-CB 4.1Å; Y173-K198 VanDerWaalsContact CD2-N 3.34Å; Y173-K198 HydrophobicContact CE1-CB 3.57Å; Y173-K198 HydrophobicContact CE1-CD 3.75Å; Y173-K198 HydrophobicContact CE1-CG 3.61Å; Y173-K198 HydrophobicContact CE2-CB 3.91Å; Y173-K198 HydrophobicContact CG-CB 4.01Å; Y173-K198 HydrophobicContact CG-CG 4.23Å; K198-F200 PolarHBondContact O-N 3.3Å
199P98.3Very high97.6Very high8 Ų846.4 Ų46.45%0.05225%0.25CS..  trans-56.8136170.7-23.733000111.2V131 E132 N169 L170 A197V131-P199 CarbonylContact O-C 3.57Å; V131-P199 WeakPolarHBondContact O-CA 3.42Å; E132-P199 WeakPolarHBondContact O-CG 3.26Å; N169-P199 HydrophobicContact CB-CB 4.39Å; N169-P199 HydrophobicContact CB-CG 3.47Å; N169-P199 VanDerWaalsContact CB-CG 3.47Å; L170-P199 HydrophobicContact CD2-CB 4.18Å; L170-P199 HydrophobicContact CD2-CG 4.25Å; L170-P199 HydrophobicContact CG-CB 4.18Å; L170-P199 HydrophobicContact CG-CG 4.18Å; A197-P199 WeakPolarHBondContact O-CD 3.46Å
200F97.6Very high97.5Very high38 Ų3847.9 Ų47.917%0.16726%0.264CS..  trans-112.9-47.6-174.8169.8-126.3000112.4T85 L88 I92 V131 K198T85-F200 HydrophobicContact CG2-CB 4.38Å; T85-F200 HydrophobicContact CG2-CD1 3.63Å; T85-F200 HydrophobicContact CG2-CD2 4.05Å; T85-F200 HydrophobicContact CG2-CE1 3.87Å; T85-F200 HydrophobicContact CG2-CE2 4.26Å; T85-F200 HydrophobicContact CG2-CG 3.74Å; T85-F200 HydrophobicContact CG2-CZ 4.18Å; L88-F200 HydrophobicContact CB-CE1 3.81Å; L88-F200 HydrophobicContact CB-CZ 3.79Å; L88-F200 HydrophobicContact CD1-CE1 4.5Å; I92-F200 HydrophobicContact CG1-CE1 4.29Å; I92-F200 HydrophobicContact CG1-CE2 4.1Å; I92-F200 HydrophobicContact CG1-CZ 3.77Å; V131-F200 PolarHBondContact O-N 2.76Å; K198-F200 PolarHBondContact O-N 3.3Å
201I96.1Very high97.4Very high1 Ų148.3 Ų48.31%0.00526%0.263CS..SBendtrans-111131.8179.7-53.8-175000108.6F38 L88 I92 V131 H166 T203F38-I201 HydrophobicContact CE2-CD1 4.47Å; L88-I201 HydrophobicContact CD1-CD1 4.16Å; I92-I201 HydrophobicContact CD1-CB 4.35Å; I92-I201 HydrophobicContact CD1-CD1 3.98Å; I92-I201 HydrophobicContact CD1-CG1 3.78Å; I92-I201 HydrophobicContact CD1-CG2 3.96Å; I92-I201 HydrophobicContact CG1-CG1 4.04Å; V131-I201 HydrophobicContact CB-CB 3.95Å; V131-I201 HydrophobicContact CB-CD1 4.23Å; V131-I201 HydrophobicContact CB-CG1 3.96Å; V131-I201 HydrophobicContact CG1-CD1 3.91Å; V131-I201 HydrophobicContact CG1-CG1 4.14Å; V131-I201 HydrophobicContact CG2-CB 3.93Å; V131-I201 HydrophobicContact CG2-CG1 4.39Å; V131-I201 PolarHBondContact O-N 3.02Å; H166-I201 PolarHBondContact CE1-O 3.18Å; H166-I201 PolarHBondContact ND1-O 3.06Å; I201-T203 HydrophobicContact CG2-CG2 4.44Å; I201-T203 PolarHBondContact O-N 2.78Å; I201-T203 VanDerWaalsContact O-N 3.09Å
202E97.1Very high97.4Very high53 Ų5345.5 Ų45.525%0.24826%0.259CS..  trans-73.499.3169.7-177.1-158.879.100110.1R95 K99 H166R95-E202 IonicContact CZ-OE1 2.65Å; R95-E202 IonicContact NH1-OE1 3.95Å; R95-E202 PolarHBondContact NH1-OE1 3.09Å; R95-E202 PolarHBondContact NH2-O 3.1Å; R95-E202 VanDerWaalsContact NH2-O 3.08Å; R95-E202 IonicContact NH2-OE1 3.66Å; R95-E202 PolarHBondContact NH2-OE1 2.95Å; K99-E202 IonicContact NZ-OE1 3.58Å; K99-E202 PolarHBondContact NZ-OE1 2.84Å; K99-E202 VanDerWaalsContact NZ-OE1 3.11Å; K99-E202 IonicContact NZ-OE2 2.63Å; K99-E202 PolarHBondContact NZ-OE2 3.46Å; H166-E202 HydrophobicContact CB-CB 4.02Å; H166-E202 HydrophobicContact CB-CG 3.61Å; H166-E202 VanDerWaalsContact CG-CA 3.48Å; H166-E202 WeakPolarHBondContact ND1-CA 3.46Å
203T96.7Very high97.4Very high11 Ų1150.8 Ų50.87%0.06729%0.287CS..  trans-89.1155173.372.30000110.4Y123 V131 E132 I201Y123-T203 HydrophobicContact CD2-CG2 3.72Å; Y123-T203 HydrophobicContact CE2-CG2 3.73Å; V131-T203 HydrophobicContact CG2-CG2 3.61Å; E132-T203 HydrophobicContact CG-CG2 3.95Å; E132-T203 WeakPolarHBondContact CG-OG1 3.43Å; E132-T203 WeakPolarHBondContact OE1-CB 3.49Å; E132-T203 PolarHBondContact OE1-N 2.81Å; E132-T203 PolarHBondContact OE1-OG1 3.11Å; I201-T203 HydrophobicContact CG2-CG2 4.44Å; I201-T203 PolarHBondContact O-N 2.78Å; I201-T203 VanDerWaalsContact O-N 3.09Å
204V96Very high97.4Very high44 Ų4453 Ų5327%0.26730%0.3SS..  trans-86.5130.9171.1173.60000107.8R119 G120 T121 S206R119-V204 HydrophobicContact CB-CG2 3.96Å; R119-V204 HydrophobicContact CG-CG2 4.1Å; G120-V204 PolarHBondContact O-N 3.05Å; T121-V204 HydrophobicContact CG2-CB 3.74Å; T121-V204 HydrophobicContact CG2-CG1 4.08Å; T121-V204 HydrophobicContact CG2-CG2 4.36Å; V204-S206 WeakPolarHBondContact O-CB 3.36Å; V204-S206 PolarHBondContact O-N 3.29Å
205P94Very high97.3Very high50 Ų5054.7 Ų54.733%0.32532%0.318SS..SBendtrans-63.798.4175.126.3-33.5000109.2L145 I162L145-P205 HydrophobicContact CG-CB 4.22Å; I162-P205 HydrophobicContact CG2-CB 3.76Å; I162-P205 HydrophobicContact CG2-CG 4.01Å
206S96.8Very high97.3Very high54 Ų5458.7 Ų58.738%0.37834%0.339SS..  trans-150.7177.7-171.3-159.30000109.5L145 V204L145-S206 WeakPolarHBondContact CD1-O 3.39Å; V204-S206 WeakPolarHBondContact O-CB 3.36Å; V204-S206 PolarHBondContact O-N 3.29Å
207I97.6Very high97.3Very high108 Ų10859.4 Ų59.455%0.55435%0.348SS*.  trans-120.7127.5179.5-61.8173000107L145 A209 C212L145-I207 HydrophobicContact CD1-CG1 4.38Å; L145-I207 HydrophobicContact CD2-CG1 4.36Å; I207-A209 PolarHBondContact O-N 3.3Å; I207-C212 HydrophobicContact CG2-CB 3.64Å
208D97.3Very high97.3Very high41 Ų4159.5 Ų59.522%0.21935%0.349CS..  trans-70.4109.8165.9178.59.1000109.2L210 H211 C212D208-L210 PolarHBondContact O-N 2.92Å; D208-L210 PolarHBondContact OD1-N 3.4Å; D208-H211 HydrophobicContact CB-CB 4.42Å; D208-H211 PolarHBondContact O-N 2.85Å; D208-H211 IonicContact OD2-CE1 3.65Å; D208-H211 IonicContact OD2-CG 3.22Å; D208-H211 IonicContact OD2-ND1 3.77Å; D208-H211 PolarHBondContact OD2-ND1 3.08Å; D208-C212 WeakPolarHBondContact O-CB 3.49Å; D208-C212 PolarHBondContact O-N 3.36Å
209A96.8Very high97.3Very high64 Ų6458.6 Ų58.653%0.52935%0.346SS..Hα-helixtrans-57.8-37.7-179.100000112.2I207 C212 D213I207-A209 PolarHBondContact O-N 3.3Å; A209-C212 PolarHBondContact O-N 3.06Å; A209-D213 PolarHBondContact O-N 2.84Å
210L96.9Very high97.3Very high107 Ų10764 Ų6456%0.5637%0.369SS*.Hα-helixtrans-65-54.4-178.4174.661.8000110.8D208 C212 D213 I214D208-L210 PolarHBondContact O-N 2.92Å; D208-L210 PolarHBondContact OD1-N 3.4Å; L210-C212 VanDerWaalsContact C-N 3.28Å; L210-C212 PolarHBondContact O-N 3.1Å; L210-D213 PolarHBondContact O-N 3.27Å; L210-I214 HydrophobicContact CD1-CD1 3.99Å; L210-I214 HydrophobicContact CD1-CG1 4.48Å; L210-I214 HydrophobicContact CG-CD1 4.02Å; L210-I214 WeakPolarHBondContact O-CG1 3.42Å; L210-I214 PolarHBondContact O-N 3.37Å
211H97.6Very high97.4Very high83 Ų8365 Ų6538%0.38437%0.372SS..Hα-helixtrans-69.7-27.2179.9-74.998.2000112.7D124 D208 G215D124-H211 WeakPolarHBondContact CB-ND1 3.36Å; D208-H211 HydrophobicContact CB-CB 4.42Å; D208-H211 PolarHBondContact O-N 2.85Å; D208-H211 IonicContact OD2-CE1 3.65Å; D208-H211 IonicContact OD2-CG 3.22Å; D208-H211 IonicContact OD2-ND1 3.77Å; D208-H211 PolarHBondContact OD2-ND1 3.08Å; H211-G215 PolarHBondContact O-N 3.25Å
212C97.9Very high97.5Very high45 Ų4569.7 Ų69.730%0.30439%0.392SS..Hα-helixtrans-64-47.3170.7-169.50000111.6I207 D208 A209 L210 G215 N216I207-C212 HydrophobicContact CG2-CB 3.64Å; D208-C212 WeakPolarHBondContact O-CB 3.49Å; D208-C212 PolarHBondContact O-N 3.36Å; A209-C212 PolarHBondContact O-N 3.06Å; L210-C212 VanDerWaalsContact C-N 3.28Å; L210-C212 PolarHBondContact O-N 3.1Å; C212-G215 PolarHBondContact O-N 2.91Å; C212-N216 VanDerWaalsContact O-CB 3.29Å; C212-N216 WeakPolarHBondContact O-CB 3.38Å; C212-N216 PolarHBondContact O-N 3.06Å; C212-N216 PolarHBondContact O-ND2 3.24Å; C212-N216 PolarHBondContact SG-ND2 2.72Å; C212-N216 VanDerWaalsContact SG-ND2 3.44Å
213D98.3Very high97.5Very high113 Ų11370.4 Ų70.460%0.60440%0.397SS*.Hα-helixtrans-62.1-44.7176.6-80.7-17.8000111.5A209 L210 A217A209-D213 PolarHBondContact O-N 2.84Å; L210-D213 PolarHBondContact O-N 3.27Å; D213-A217 WeakPolarHBondContact O-CB 3.4Å; D213-A217 PolarHBondContact O-N 3.48Å
214I97.8Very high97.6Very high94 Ų9474.5 Ų74.548%0.48241%0.414SS..Hα-helixtrans-60.2-49.1176.4-67.5167.3000110.6L210 A217 A218L210-I214 HydrophobicContact CD1-CD1 3.99Å; L210-I214 HydrophobicContact CD1-CG1 4.48Å; L210-I214 HydrophobicContact CG-CD1 4.02Å; L210-I214 WeakPolarHBondContact O-CG1 3.42Å; L210-I214 PolarHBondContact O-N 3.37Å; I214-A217 PolarHBondContact O-N 3.46Å; I214-A218 WeakPolarHBondContact O-CB 3.13Å; I214-A218 PolarHBondContact O-N 2.98Å
215G97.3Very high97.8Very high38 Ų3873.6 Ų73.639%0.39241%0.407SS..Hα-helixtrans-62.5-46.5-179.200000112.3H211 C212 A218 E219H211-G215 PolarHBondContact O-N 3.25Å; C212-G215 PolarHBondContact O-N 2.91Å; G215-A218 PolarHBondContact O-N 2.73Å; G215-E219 PolarHBondContact O-N 3.38Å
216N98.4Very high98Very high85 Ų8573.8 Ų73.846%0.45541%0.405SS..Hα-helixtrans-62.7-48.6176.7-71.5-20.5000110.8C212 A218 E219 F220C212-N216 VanDerWaalsContact O-CB 3.29Å; C212-N216 WeakPolarHBondContact O-CB 3.38Å; C212-N216 PolarHBondContact O-N 3.06Å; C212-N216 PolarHBondContact O-ND2 3.24Å; C212-N216 PolarHBondContact SG-ND2 2.72Å; C212-N216 VanDerWaalsContact SG-ND2 3.44Å; N216-A218 VanDerWaalsContact C-N 3.28Å; N216-A218 PolarHBondContact O-N 3.32Å; N216-E219 PolarHBondContact O-N 2.84Å; N216-F220 WeakPolarHBondContact O-CD2 3.35Å; N216-F220 PolarHBondContact O-N 3.2Å
217A98.4Very high98Very high59 Ų5976.2 Ų76.249%0.48841%0.41SS..Hα-helixtrans-59.4-39.5177.600000112.1D213 I214 E219 F220 Y221D213-A217 WeakPolarHBondContact O-CB 3.4Å; D213-A217 PolarHBondContact O-N 3.48Å; I214-A217 PolarHBondContact O-N 3.46Å; A217-E219 VanDerWaalsContact C-N 3.33Å; A217-E219 PolarHBondContact O-N 3.11Å; A217-F220 PolarHBondContact O-N 3.37Å; A217-Y221 VanDerWaalsContact O-CB 3.31Å; A217-Y221 WeakPolarHBondContact O-CB 3.13Å; A217-Y221 PolarHBondContact O-N 2.72Å
218A98.3Very high98.1Very high44 Ų4474.4 Ų74.436%0.36440%0.401SS..Hα-helixtrans-64.3-37.1174.400000112.3I214 G215 N216 Y221 K222I214-A218 WeakPolarHBondContact O-CB 3.13Å; I214-A218 PolarHBondContact O-N 2.98Å; G215-A218 PolarHBondContact O-N 2.73Å; N216-A218 VanDerWaalsContact C-N 3.28Å; N216-A218 PolarHBondContact O-N 3.32Å; A218-Y221 PolarHBondContact O-N 2.75Å; A218-K222 WeakPolarHBondContact O-CG 3.39Å; A218-K222 PolarHBondContact O-N 2.65Å
219E98.3Very high98.1Very high91 Ų9172.9 Ų72.943%0.42540%0.395SS..Hα-helixtrans-70.5-41.9175.6-160.658.7-152.100111.9G215 N216 A217 Y221 K222 I223G215-E219 PolarHBondContact O-N 3.38Å; N216-E219 PolarHBondContact O-N 2.84Å; A217-E219 VanDerWaalsContact C-N 3.33Å; A217-E219 PolarHBondContact O-N 3.11Å; E219-Y221 VanDerWaalsContact C-N 3.3Å; E219-Y221 PolarHBondContact O-N 2.94Å; E219-K222 WeakPolarHBondContact O-CB 3.21Å; E219-K222 PolarHBondContact O-N 2.71Å; E219-K222 VanDerWaalsContact O-N 3.16Å; E219-K222 IonicContact OE2-NZ 3.48Å; E219-K222 PolarHBondContact OE2-NZ 3.16Å; E219-I223 WeakPolarHBondContact O-CG1 3.4Å; E219-I223 PolarHBondContact O-N 3.22Å
220F98.6Very high98.1Very high120 Ų12073.5 Ų73.553%0.52639%0.387SS..Hα-helixtrans-59.4-41.4170.3-88-88.5000112N216 A217 K222 I223 F224N216-F220 WeakPolarHBondContact O-CD2 3.35Å; N216-F220 PolarHBondContact O-N 3.2Å; A217-F220 PolarHBondContact O-N 3.37Å; F220-K222 VanDerWaalsContact C-N 3.32Å; F220-K222 PolarHBondContact O-N 3.24Å; F220-I223 WeakPolarHBondContact O-CB 3.22Å; F220-I223 PolarHBondContact O-N 3.37Å; F220-I223 VanDerWaalsContact O-N 3.17Å; F220-F224 HydrophobicContact CB-CE2 4.29Å; F220-F224 HydrophobicContact CB-CZ 4.37Å; F220-F224 HydrophobicContact CD1-CE1 4.48Å; F220-F224 HydrophobicContact CD1-CZ 4.17Å; F220-F224 VanDerWaalsContact O-CD2 3.24Å; F220-F224 WeakPolarHBondContact O-CD2 3.48Å; F220-F224 VanDerWaalsContact O-CG 3.24Å; F220-F224 WeakPolarHBondContact O-CG 3.46Å; F220-F224 PolarHBondContact O-N 3.41Å
221Y98.6Very high98.2Very high61 Ų6169.7 Ų69.724%0.23937%0.368CS..Hα-helixtrans-60.7-40.6175.4177.4-102.4000111.6A217 A218 E219 Q225 Q246 L249 D250 L253A217-Y221 VanDerWaalsContact O-CB 3.31Å; A217-Y221 WeakPolarHBondContact O-CB 3.13Å; A217-Y221 PolarHBondContact O-N 2.72Å; A218-Y221 PolarHBondContact O-N 2.75Å; E219-Y221 VanDerWaalsContact C-N 3.3Å; E219-Y221 PolarHBondContact O-N 2.94Å; Y221-Q225 WeakPolarHBondContact O-CG 3.29Å; Y221-Q225 PolarHBondContact O-N 3.41Å; Y221-Q246 HydrophobicContact CE1-CG 4.39Å; Y221-Q246 VanDerWaalsContact OH-CG 3.26Å; Y221-Q246 WeakPolarHBondContact OH-CG 3.39Å; Y221-Q246 PolarHBondContact OH-NE2 2.63Å; Y221-L249 HydrophobicContact CD2-CD2 3.47Å; Y221-L249 VanDerWaalsContact CD2-CD2 3.47Å; Y221-L249 HydrophobicContact CD2-CG 4.27Å; Y221-L249 HydrophobicContact CE2-CD2 3.43Å; Y221-L249 VanDerWaalsContact CE2-CD2 3.43Å; Y221-L249 HydrophobicContact CE2-CG 3.93Å; Y221-L249 HydrophobicContact CG-CD2 4.19Å; Y221-L249 WeakPolarHBondContact O-CD2 3.31Å; Y221-D250 VanDerWaalsContact OH-CG 3.28Å; Y221-D250 PolarHBondContact OH-OD1 3.36Å; Y221-D250 PolarHBondContact OH-OD2 2.86Å; Y221-L253 HydrophobicContact CD2-CD1 4.12Å; Y221-L253 HydrophobicContact CE2-CD1 3.96Å
222K98.3Very high98.1Very high99 Ų9972.9 Ų72.943%0.4338%0.378SS..Hα-helixtrans-64.7-45.8171.4-67.5174.1-153.9154.80111.6A218 E219 F220 F224 Q225 L226A218-K222 WeakPolarHBondContact O-CG 3.39Å; A218-K222 PolarHBondContact O-N 2.65Å; E219-K222 WeakPolarHBondContact O-CB 3.21Å; E219-K222 PolarHBondContact O-N 2.71Å; E219-K222 VanDerWaalsContact O-N 3.16Å; E219-K222 IonicContact OE2-NZ 3.48Å; E219-K222 PolarHBondContact OE2-NZ 3.16Å; F220-K222 VanDerWaalsContact C-N 3.32Å; F220-K222 PolarHBondContact O-N 3.24Å; K222-F224 VanDerWaalsContact C-N 3.28Å; K222-F224 PolarHBondContact O-N 2.79Å; K222-Q225 WeakPolarHBondContact O-CB 3.35Å; K222-Q225 PolarHBondContact O-N 2.83Å; K222-L226 WeakPolarHBondContact O-CG 3.37Å; K222-L226 PolarHBondContact O-N 3.35Å
223I98.6Very high98Very high68 Ų6876.1 Ų76.135%0.34939%0.387SS..Hα-helixtrans-54.2-47177.4-70.7166.2000110E219 F220 Q225 L226 E227E219-I223 WeakPolarHBondContact O-CG1 3.4Å; E219-I223 PolarHBondContact O-N 3.22Å; F220-I223 WeakPolarHBondContact O-CB 3.22Å; F220-I223 PolarHBondContact O-N 3.37Å; F220-I223 VanDerWaalsContact O-N 3.17Å; I223-Q225 VanDerWaalsContact C-N 3.3Å; I223-Q225 PolarHBondContact O-N 3Å; I223-L226 CarbonylContact O-C 3.57Å; I223-L226 PolarHBondContact O-N 2.51Å; I223-E227 HydrophobicContact CG2-CG 4.18Å; I223-E227 WeakPolarHBondContact O-CG 3.37Å; I223-E227 PolarHBondContact O-N 3.18Å
224F98.6Very high97.9Very high96 Ų9675.6 Ų75.642%0.42138%0.38SS..Hα-helixtrans-59.7-37.7176.9-59.9-33.9000113.4F220 K222 E227 I228 L249F220-F224 HydrophobicContact CB-CE2 4.29Å; F220-F224 HydrophobicContact CB-CZ 4.37Å; F220-F224 HydrophobicContact CD1-CE1 4.48Å; F220-F224 HydrophobicContact CD1-CZ 4.17Å; F220-F224 VanDerWaalsContact O-CD2 3.24Å; F220-F224 WeakPolarHBondContact O-CD2 3.48Å; F220-F224 VanDerWaalsContact O-CG 3.24Å; F220-F224 WeakPolarHBondContact O-CG 3.46Å; F220-F224 PolarHBondContact O-N 3.41Å; K222-F224 VanDerWaalsContact C-N 3.28Å; K222-F224 PolarHBondContact O-N 2.79Å; F224-E227 PolarHBondContact O-N 2.72Å; F224-I228 VanDerWaalsContact O-CG1 3.3Å; F224-I228 WeakPolarHBondContact O-CG1 3.3Å; F224-I228 PolarHBondContact O-N 3.45Å; F224-L249 HydrophobicContact CB-CD1 3.85Å; F224-L249 HydrophobicContact CB-CD2 3.68Å; F224-L249 HydrophobicContact CB-CG 4.44Å
225Q98.4Very high97.7Very high26 Ų2675.4 Ų75.412%0.12139%0.386CS..Hα-helixtrans-64.2-42.3173.7-62.1172.136.900111.7Y221 K222 I223 E227 I228 G229 W245 Q246 L249Y221-Q225 WeakPolarHBondContact O-CG 3.29Å; Y221-Q225 PolarHBondContact O-N 3.41Å; K222-Q225 WeakPolarHBondContact O-CB 3.35Å; K222-Q225 PolarHBondContact O-N 2.83Å; I223-Q225 VanDerWaalsContact C-N 3.3Å; I223-Q225 PolarHBondContact O-N 3Å; Q225-E227 VanDerWaalsContact C-N 3.34Å; Q225-I228 PolarHBondContact O-N 3.24Å; Q225-G229 PolarHBondContact O-N 3.3Å; Q225-W245 HydrophobicContact CB-CB 4.49Å; Q225-Q246 HydrophobicContact CG-CB 4.29Å; Q225-L249 HydrophobicContact CG-CD2 3.64Å
226L98.1Very high97.5Very high54 Ų5480.6 Ų80.628%0.28340%0.404SS..Hα-helixtrans-68-34.7179.2-60.8176.8000111.7K222 I223 G229 E230 V231K222-L226 WeakPolarHBondContact O-CG 3.37Å; K222-L226 PolarHBondContact O-N 3.35Å; I223-L226 CarbonylContact O-C 3.57Å; I223-L226 PolarHBondContact O-N 2.51Å; L226-G229 CarbonylContact O-C 3.59Å; L226-G229 PolarHBondContact O-N 3.19Å; L226-E230 PolarHBondContact O-N 2.85Å; L226-V231 HydrophobicContact CB-CB 4.22Å; L226-V231 HydrophobicContact CB-CG2 4.11Å; L226-V231 HydrophobicContact CD2-CB 4.44Å; L226-V231 HydrophobicContact CD2-CG2 3.87Å; L226-V231 WeakPolarHBondContact O-CG2 3.41Å; L226-V231 PolarHBondContact O-N 3.44Å
227E98.4Very high97.4Very high105 Ų10577.7 Ų77.749%0.49139%0.392SS..Hα-helixtrans-68.6-40.7174.6-70.8-53.213000112.2I223 F224 Q225 G229 E230I223-E227 HydrophobicContact CG2-CG 4.18Å; I223-E227 WeakPolarHBondContact O-CG 3.37Å; I223-E227 PolarHBondContact O-N 3.18Å; F224-E227 PolarHBondContact O-N 2.72Å; Q225-E227 VanDerWaalsContact C-N 3.34Å; E227-G229 PolarHBondContact O-N 2.96Å; E227-E230 PolarHBondContact O-N 3.28Å
228I98.2Very high97.3Very high70 Ų7077.1 Ų77.136%0.35939%0.385SS..Hα-helixtrans-57.6-35.4171.1-71.1165.2000111F224 Q225 E230 W245 T248 L249F224-I228 VanDerWaalsContact O-CG1 3.3Å; F224-I228 WeakPolarHBondContact O-CG1 3.3Å; F224-I228 PolarHBondContact O-N 3.45Å; Q225-I228 PolarHBondContact O-N 3.24Å; I228-E230 VanDerWaalsContact C-N 3.34Å; I228-W245 HydrophobicContact CB-CB 4.3Å; I228-W245 HydrophobicContact CG2-CB 3.94Å; I228-W245 HydrophobicContact CG2-CG 4.07Å; I228-T248 HydrophobicContact CD1-CG2 4.48Å; I228-T248 HydrophobicContact CG2-CG2 4.34Å; I228-L249 HydrophobicContact CD1-CB 3.71Å; I228-L249 HydrophobicContact CD1-CD1 4.18Å; I228-L249 HydrophobicContact CD1-CG 4.46Å
229G97.5Very high97.2Very high9 Ų981.9 Ų81.99%0.09340%0.397CS..THydrogen-bonded Turntrans-83.8-2.9177.100000115.8Q225 L226 E227 V231Q225-G229 PolarHBondContact O-N 3.3Å; L226-G229 CarbonylContact O-C 3.59Å; L226-G229 PolarHBondContact O-N 3.19Å; E227-G229 PolarHBondContact O-N 2.96Å; G229-V231 PolarHBondContact O-N 2.98Å
230E98Very high97.2Very high76 Ų7683.6 Ų83.636%0.35541%0.405SS..THydrogen-bonded Turntrans46.744.5-172.2-55.8-173.211800112.9L226 E227 I228 Y232 K233 H234L226-E230 PolarHBondContact O-N 2.85Å; E227-E230 PolarHBondContact O-N 3.28Å; I228-E230 VanDerWaalsContact C-N 3.34Å; E230-Y232 HydrophobicContact CB-CD1 4.35Å; E230-Y232 HydrophobicContact CB-CE1 3.85Å; E230-Y232 HydrophobicContact CG-CE1 4.24Å; E230-Y232 PolarHBondContact O-N 3.17Å; E230-Y232 VanDerWaalsContact O-N 3.08Å; E230-K233 HydrophobicContact CB-CD 4.35Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 PolarHBondContact O-N 3Å; E230-K233 IonicContact OE1-NZ 2.68Å; E230-K233 PolarHBondContact OE1-NZ 3.42Å; E230-K233 IonicContact OE2-NZ 3.21Å; E230-H234 PolarHBondContact O-N 3.22Å; E230-H234 IonicContact OE2-CE1 2.89Å
231V97.7Very high97.1Very high27 Ų2781.4 Ų81.416%0.16440%0.396CS..THydrogen-bonded Turntrans-62.4-22.2-172.8174.60000112.8L226 G229 K233 H234 P235 W245L226-V231 HydrophobicContact CB-CB 4.22Å; L226-V231 HydrophobicContact CB-CG2 4.11Å; L226-V231 HydrophobicContact CD2-CB 4.44Å; L226-V231 HydrophobicContact CD2-CG2 3.87Å; L226-V231 WeakPolarHBondContact O-CG2 3.41Å; L226-V231 PolarHBondContact O-N 3.44Å; G229-V231 PolarHBondContact O-N 2.98Å; V231-K233 PolarHBondContact O-N 3.2Å; V231-H234 WeakPolarHBondContact CA-O 3.18Å; V231-H234 CarbonylContact O-C 3.55Å; V231-H234 VanDerWaalsContact O-C 3.23Å; V231-H234 PolarHBondContact O-N 3.48Å; V231-P235 WeakPolarHBondContact O-CA 3.48Å; V231-W245 HydrophobicContact CG2-CH2 3.7Å; V231-W245 HydrophobicContact CG2-CZ3 3.48Å; V231-W245 VanDerWaalsContact CG2-CZ3 3.48Å
232Y96.2Very high97Very high150 Ų15082.7 Ų82.759%0.58840%0.401SS*.THydrogen-bonded Turntrans-61.7-25.3170.773.8-84.4000113.5E230E230-Y232 HydrophobicContact CB-CD1 4.35Å; E230-Y232 HydrophobicContact CB-CE1 3.85Å; E230-Y232 HydrophobicContact CG-CE1 4.24Å; E230-Y232 PolarHBondContact O-N 3.17Å; E230-Y232 VanDerWaalsContact O-N 3.08Å
233K97Very high97Very high113 Ų11383.8 Ų83.849%0.49141%0.406SS..THydrogen-bonded Turntrans-94.7-36.7170.6-69.8169.4-178161.10112.1E230 V231 P235E230-K233 HydrophobicContact CB-CD 4.35Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 PolarHBondContact O-N 3Å; E230-K233 IonicContact OE1-NZ 2.68Å; E230-K233 PolarHBondContact OE1-NZ 3.42Å; E230-K233 IonicContact OE2-NZ 3.21Å; V231-K233 PolarHBondContact O-N 3.2Å; K233-P235 WeakPolarHBondContact O-CD 3.46Å
234H94.4Very high97Very high102 Ų10287.6 Ų87.647%0.47242%0.416SS..  trans-119.282.6-173.6-49.9104.9000109.6E230 V231 N236E230-H234 PolarHBondContact O-N 3.22Å; E230-H234 IonicContact OE2-CE1 2.89Å; V231-H234 WeakPolarHBondContact CA-O 3.18Å; V231-H234 CarbonylContact O-C 3.55Å; V231-H234 VanDerWaalsContact O-C 3.23Å; V231-H234 PolarHBondContact O-N 3.48Å; H234-N236 PolarHBondContact O-N 2.79Å; H234-N236 VanDerWaalsContact O-N 3.15Å
235P93.3Very high97Very high91 Ų9184.2 Ų84.259%0.59140%0.4SS*.  trans-63.2-28-17123.9-34.2000112.9V231 K233V231-P235 WeakPolarHBondContact O-CA 3.48Å; K233-P235 WeakPolarHBondContact O-CD 3.46Å
236N95.1Very high97Very high146 Ų14686.6 Ų86.678%0.78141%0.411SS*.  trans-102.2131.7178.3-64.1-39.1000110.2H234H234-N236 PolarHBondContact O-N 2.79Å; H234-N236 VanDerWaalsContact O-N 3.15Å
237A94.8Very high97Very high25 Ų2586.9 Ų86.921%0.20742%0.421CS..  trans-149.3141.8174.500000109.4R242 W245A237-R242 HydrophobicContact CB-CG 4.34Å; A237-R242 PolarHBondContact O-NE 2.68Å; A237-W245 HydrophobicContact CB-CH2 3.24Å; A237-W245 HydrophobicContact CB-CZ2 4.05Å; A237-W245 HydrophobicContact CB-CZ3 3.83Å
238S96.4Very high97Very high47 Ų4785.3 Ų85.333%0.32942%0.419SS..  trans-65.8162178.762.20000111.9E240 E241 R242S238-E240 VanDerWaalsContact C-N 3.25Å; S238-E240 PolarHBondContact O-N 3.38Å; S238-E241 WeakPolarHBondContact CB-OE2 3.32Å; S238-E241 PolarHBondContact N-OE2 3.15Å; S238-E241 PolarHBondContact O-N 2.97Å; S238-E241 WeakPolarHBondContact OG-CB 3.21Å; S238-E241 VanDerWaalsContact OG-CD 3.3Å; S238-E241 WeakPolarHBondContact OG-CG 3.4Å; S238-E241 PolarHBondContact OG-N 3.08Å; S238-E241 PolarHBondContact OG-OE2 3.15Å; S238-R242 WeakPolarHBondContact O-CG 3.45Å; S238-R242 PolarHBondContact O-N 3.46Å; S238-R242 VanDerWaalsContact O-N 3.11Å
239K96.6Very high97Very high143 Ų14382.5 Ų82.562%0.62241%0.405SS*.Hα-helixtrans-63.2-36.9176.6-171.4178.3-176.3176.30111.1R242 K243K239-R242 PolarHBondContact O-N 2.98Å; K239-K243 WeakPolarHBondContact O-CG 3.31Å; K239-K243 PolarHBondContact O-N 2.62Å
240E97.5Very high97.1Very high128 Ų12885.3 Ų85.360%0.59842%0.417SS*.Hα-helixtrans-66.9-41.4179.4-67.564.4-140.100111.3S238 K243 R244S238-E240 VanDerWaalsContact C-N 3.25Å; S238-E240 PolarHBondContact O-N 3.38Å; E240-K243 PolarHBondContact O-N 2.71Å; E240-R244 PolarHBondContact O-N 2.95Å
241E96.9Very high97.1Very high73 Ų7389.4 Ų89.434%0.34143%0.434SS..Hα-helixtrans-64.6-44.6174.8-74171.7123.900112.1S238 K243 R244 W245S238-E241 WeakPolarHBondContact CB-OE2 3.32Å; S238-E241 PolarHBondContact N-OE2 3.15Å; S238-E241 PolarHBondContact O-N 2.97Å; S238-E241 WeakPolarHBondContact OG-CB 3.21Å; S238-E241 VanDerWaalsContact OG-CD 3.3Å; S238-E241 WeakPolarHBondContact OG-CG 3.4Å; S238-E241 PolarHBondContact OG-N 3.08Å; S238-E241 PolarHBondContact OG-OE2 3.15Å; E241-K243 VanDerWaalsContact C-N 3.31Å; E241-K243 PolarHBondContact O-N 2.85Å; E241-R244 WeakPolarHBondContact O-CA 3.46Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 2.74Å; E241-R244 IonicContact OE1-NH2 3.44Å; E241-W245 HydrophobicContact CB-CZ2 4.21Å; E241-W245 VanDerWaalsContact O-CG 3.27Å; E241-W245 PolarHBondContact O-N 3.23Å
242R97.2Very high97.1Very high89 Ų8993.2 Ų93.234%0.33645%0.45SS..Hα-helixtrans-59.4-42.5175.7-69.7172.1-178.6-88.8-0.9111.7A237 S238 K239 R244 W245 Q246A237-R242 HydrophobicContact CB-CG 4.34Å; A237-R242 PolarHBondContact O-NE 2.68Å; S238-R242 WeakPolarHBondContact O-CG 3.45Å; S238-R242 PolarHBondContact O-N 3.46Å; S238-R242 VanDerWaalsContact O-N 3.11Å; K239-R242 PolarHBondContact O-N 2.98Å; R242-R244 VanDerWaalsContact C-N 3.31Å; R242-R244 PolarHBondContact O-N 2.95Å; R242-W245 HydrophobicContact CB-CE3 4.33Å; R242-W245 HydrophobicContact CG-CE3 3.92Å; R242-W245 HydrophobicContact CG-CZ3 3.75Å; R242-W245 PolarHBondContact O-N 3.01Å; R242-Q246 PolarHBondContact O-N 3.21Å
243K98Very high97.2Very high122 Ų12288.7 Ų88.753%0.5344%0.436SS..Hα-helixtrans-61.2-37.7172.9-76.9-179.4174.5-173.60112.7K239 E240 E241 Q246 A247K239-K243 WeakPolarHBondContact O-CG 3.31Å; K239-K243 PolarHBondContact O-N 2.62Å; E240-K243 PolarHBondContact O-N 2.71Å; E241-K243 VanDerWaalsContact C-N 3.31Å; E241-K243 PolarHBondContact O-N 2.85Å; K243-Q246 PolarHBondContact O-N 3.41Å; K243-A247 PolarHBondContact O-N 2.94Å
244R98.4Very high97.3Very high148 Ų14892.6 Ų92.656%0.55845%0.447SS*.Hα-helixtrans-67-38.9176.1-177.4177.759.9-174-2.8111.8E240 E241 R242 A247 T248E240-R244 PolarHBondContact O-N 2.95Å; E241-R244 WeakPolarHBondContact O-CA 3.46Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 2.74Å; E241-R244 IonicContact OE1-NH2 3.44Å; R242-R244 VanDerWaalsContact C-N 3.31Å; R242-R244 PolarHBondContact O-N 2.95Å; R244-A247 PolarHBondContact O-N 2.97Å; R244-T248 WeakPolarHBondContact O-CB 3.04Å; R244-T248 PolarHBondContact O-N 3.16Å; R244-T248 PolarHBondContact O-OG1 2.61Å
245W98.5Very high97.5Very high25 Ų2595.3 Ų95.310%0.09546%0.458CS..Hα-helixtrans-64.9-42.6174-54.4-30.4000111.6Q225 I228 V231 A237 E241 R242 T248 L249Q225-W245 HydrophobicContact CB-CB 4.49Å; I228-W245 HydrophobicContact CB-CB 4.3Å; I228-W245 HydrophobicContact CG2-CB 3.94Å; I228-W245 HydrophobicContact CG2-CG 4.07Å; V231-W245 HydrophobicContact CG2-CH2 3.7Å; V231-W245 HydrophobicContact CG2-CZ3 3.48Å; V231-W245 VanDerWaalsContact CG2-CZ3 3.48Å; A237-W245 HydrophobicContact CB-CH2 3.24Å; A237-W245 HydrophobicContact CB-CZ2 4.05Å; A237-W245 HydrophobicContact CB-CZ3 3.83Å; E241-W245 HydrophobicContact CB-CZ2 4.21Å; E241-W245 VanDerWaalsContact O-CG 3.27Å; E241-W245 PolarHBondContact O-N 3.23Å; R242-W245 HydrophobicContact CB-CE3 4.33Å; R242-W245 HydrophobicContact CG-CE3 3.92Å; R242-W245 HydrophobicContact CG-CZ3 3.75Å; R242-W245 PolarHBondContact O-N 3.01Å; W245-T248 WeakPolarHBondContact O-CB 3.46Å; W245-T248 PolarHBondContact O-N 2.86Å; W245-L249 PolarHBondContact O-N 2.85Å
246Q98.4Very high97.7Very high76 Ų7699.1 Ų99.136%0.35546%0.46SS..Hα-helixtrans-56.6-52.3172.6-170.6-178.5-10.400112Y221 Q225 R242 K243 T248 L249 D250Y221-Q246 HydrophobicContact CE1-CG 4.39Å; Y221-Q246 VanDerWaalsContact OH-CG 3.26Å; Y221-Q246 WeakPolarHBondContact OH-CG 3.39Å; Y221-Q246 PolarHBondContact OH-NE2 2.63Å; Q225-Q246 HydrophobicContact CG-CB 4.29Å; R242-Q246 PolarHBondContact O-N 3.21Å; K243-Q246 PolarHBondContact O-N 3.41Å; Q246-T248 PolarHBondContact O-N 2.69Å; Q246-L249 WeakPolarHBondContact O-CB 3.37Å; Q246-L249 PolarHBondContact O-N 3.5Å; Q246-L249 VanDerWaalsContact O-N 3.09Å; Q246-D250 PolarHBondContact O-N 2.95Å
247A98.5Very high97.8Very high59 Ų5999 Ų9949%0.48846%0.457SS..Hα-helixtrans-61-32.4177.800000112.9K243 R244 K251K243-A247 PolarHBondContact O-N 2.94Å; R244-A247 PolarHBondContact O-N 2.97Å; A247-K251 WeakPolarHBondContact O-CB 3.29Å; A247-K251 PolarHBondContact O-N 2.79Å
248T98.6Very high97.2Very high72 Ų72106.5 Ų106.544%0.44249%0.493SS..Hα-helixtrans-67.1-45.3174.9-58.50000111I228 R244 W245 Q246 K251 H252I228-T248 HydrophobicContact CD1-CG2 4.48Å; I228-T248 HydrophobicContact CG2-CG2 4.34Å; R244-T248 WeakPolarHBondContact O-CB 3.04Å; R244-T248 PolarHBondContact O-N 3.16Å; R244-T248 PolarHBondContact O-OG1 2.61Å; W245-T248 WeakPolarHBondContact O-CB 3.46Å; W245-T248 PolarHBondContact O-N 2.86Å; Q246-T248 PolarHBondContact O-N 2.69Å; T248-K251 PolarHBondContact O-N 2.63Å; T248-H252 PolarHBondContact O-N 2.88Å
249L98.6Very high97.2Very high12 Ų12109.5 Ų109.56%0.06350%0.501CS..Hα-helixtrans-60.3-49.9175-177.958.7000111Y221 F224 Q225 I228 W245 Q246 K251 H252 L253Y221-L249 HydrophobicContact CD2-CD2 3.47Å; Y221-L249 VanDerWaalsContact CD2-CD2 3.47Å; Y221-L249 HydrophobicContact CD2-CG 4.27Å; Y221-L249 HydrophobicContact CE2-CD2 3.43Å; Y221-L249 VanDerWaalsContact CE2-CD2 3.43Å; Y221-L249 HydrophobicContact CE2-CG 3.93Å; Y221-L249 HydrophobicContact CG-CD2 4.19Å; Y221-L249 WeakPolarHBondContact O-CD2 3.31Å; F224-L249 HydrophobicContact CB-CD1 3.85Å; F224-L249 HydrophobicContact CB-CD2 3.68Å; F224-L249 HydrophobicContact CB-CG 4.44Å; Q225-L249 HydrophobicContact CG-CD2 3.64Å; I228-L249 HydrophobicContact CD1-CB 3.71Å; I228-L249 HydrophobicContact CD1-CD1 4.18Å; I228-L249 HydrophobicContact CD1-CG 4.46Å; W245-L249 PolarHBondContact O-N 2.85Å; Q246-L249 WeakPolarHBondContact O-CB 3.37Å; Q246-L249 PolarHBondContact O-N 3.5Å; Q246-L249 VanDerWaalsContact O-N 3.09Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.84Å; L249-H252 WeakPolarHBondContact O-CA 3.47Å; L249-H252 WeakPolarHBondContact O-CB 3.28Å; L249-H252 PolarHBondContact O-N 3.34Å; L249-L253 HydrophobicContact CD1-CD1 4.12Å; L249-L253 HydrophobicContact CD1-CD2 4.44Å; L249-L253 HydrophobicContact CD1-CG 4.03Å; L249-L253 HydrophobicContact CG-CD1 3.93Å; L249-L253 HydrophobicContact CG-CG 4.26Å; L249-L253 WeakPolarHBondContact O-CG 3.37Å; L249-L253 PolarHBondContact O-N 3.45Å
250D98.6Very high97.3Very high67 Ų67107.7 Ų107.736%0.35850%0.495SS..Hα-helixtrans-58-43.5-179.8-69.1-25.1000112.1Y221 Q246 H252 R254Y221-D250 VanDerWaalsContact OH-CG 3.28Å; Y221-D250 PolarHBondContact OH-OD1 3.36Å; Y221-D250 PolarHBondContact OH-OD2 2.86Å; Q246-D250 PolarHBondContact O-N 2.95Å; D250-H252 VanDerWaalsContact C-N 3.31Å; D250-H252 PolarHBondContact O-N 3.45Å; D250-R254 VanDerWaalsContact O-CB 3.3Å; D250-R254 WeakPolarHBondContact O-CB 3.22Å; D250-R254 PolarHBondContact O-N 3.12Å
251K98.6Very high97.3Very high162 Ų162106.6 Ų106.670%0.70449%0.489SS*.Hα-helixtrans-64.2-38176.3-173178.9-178177.90111.7A247 T248 L249 K255A247-K251 WeakPolarHBondContact O-CB 3.29Å; A247-K251 PolarHBondContact O-N 2.79Å; T248-K251 PolarHBondContact O-N 2.63Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.84Å; K251-K255 WeakPolarHBondContact O-CB 3.44Å; K251-K255 PolarHBondContact O-N 3.07Å
252H98.4Very high97.3Very high107 Ų107108.5 Ų108.550%0.49550%0.498SS..Hα-helixtrans-70.4-47.3179.3-166.895.7000111.7T248 L249 D250 K255 R256T248-H252 PolarHBondContact O-N 2.88Å; L249-H252 WeakPolarHBondContact O-CA 3.47Å; L249-H252 WeakPolarHBondContact O-CB 3.28Å; L249-H252 PolarHBondContact O-N 3.34Å; D250-H252 VanDerWaalsContact C-N 3.31Å; D250-H252 PolarHBondContact O-N 3.45Å; H252-K255 PolarHBondContact O-N 2.86Å; H252-K255 VanDerWaalsContact O-N 3.09Å; H252-R256 WeakPolarHBondContact NE2-CG 3.24Å; H252-R256 PolarHBondContact O-N 3.08Å
253L98.4Very high97.3Very high56 Ų56109.8 Ų109.829%0.29351%0.508SS..Hα-helixtrans-56.4-52.3176.3-68.7176.9000110Y221 L249 K255 R256 M257 N258Y221-L253 HydrophobicContact CD2-CD1 4.12Å; Y221-L253 HydrophobicContact CE2-CD1 3.96Å; L249-L253 HydrophobicContact CD1-CD1 4.12Å; L249-L253 HydrophobicContact CD1-CD2 4.44Å; L249-L253 HydrophobicContact CD1-CG 4.03Å; L249-L253 HydrophobicContact CG-CD1 3.93Å; L249-L253 HydrophobicContact CG-CG 4.26Å; L249-L253 WeakPolarHBondContact O-CG 3.37Å; L249-L253 PolarHBondContact O-N 3.45Å; L253-K255 PolarHBondContact O-N 2.95Å; L253-K255 VanDerWaalsContact O-N 3.08Å; L253-R256 PolarHBondContact O-N 2.96Å; L253-R256 VanDerWaalsContact O-N 3.08Å; L253-M257 HydrophobicContact CD2-CG 4.24Å; L253-M257 WeakPolarHBondContact O-CA 3.45Å; L253-M257 PolarHBondContact O-N 2.68Å; L253-N258 PolarHBondContact O-N 3.25Å
254R98.1Very high97.2Very high195 Ų195108.9 Ų108.974%0.73651%0.507SS*.Hα-helixtrans-52.8-36.3175.4-174.7-179.6-64.7-90.2-1113.6D250 N258D250-R254 VanDerWaalsContact O-CB 3.3Å; D250-R254 WeakPolarHBondContact O-CB 3.22Å; D250-R254 PolarHBondContact O-N 3.12Å; R254-N258 VanDerWaalsContact CA-OXT 3.3Å; R254-N258 WeakPolarHBondContact CA-OXT 3.39Å; R254-N258 WeakPolarHBondContact O-CA 3.49Å
255K98.1Very high97.2Very high158 Ų158106.1 Ų106.169%0.68750%0.503SS*.Hα-helixtrans-79.9-31.8-177.5-177.5175.8178-179.70113.1K251 H252 L253K251-K255 WeakPolarHBondContact O-CB 3.44Å; K251-K255 PolarHBondContact O-N 3.07Å; H252-K255 PolarHBondContact O-N 2.86Å; H252-K255 VanDerWaalsContact O-N 3.09Å; L253-K255 PolarHBondContact O-N 2.95Å; L253-K255 VanDerWaalsContact O-N 3.08Å
256R98.1Very high97.1Very high171 Ų171112.4 Ų112.465%0.64554%0.535SS*.Hα-helixtrans-109.7-32.4-169.9-67-58.2-165.9173.13.9114.1H252 L253H252-R256 WeakPolarHBondContact NE2-CG 3.24Å; H252-R256 PolarHBondContact O-N 3.08Å; L253-R256 PolarHBondContact O-N 2.96Å; L253-R256 VanDerWaalsContact O-N 3.08Å
257M96.4Very high96.9Very high144 Ų144115.4 Ų115.471%0.70955%0.55SS*.THydrogen-bonded Turntrans-113.73.5-174.8-54.7-56.3-67.600112.4L253L253-M257 HydrophobicContact CD2-CG 4.24Å; L253-M257 WeakPolarHBondContact O-CA 3.45Å; L253-M257 PolarHBondContact O-N 2.68Å
258N83.1Confident96.8Very high182 Ų182120.5 Ų120.597%0.97356%0.555SS**  trans620-165.1-62-36000113.5L253 R254L253-N258 PolarHBondContact O-N 3.25Å; R254-N258 VanDerWaalsContact CA-OXT 3.3Å; R254-N258 WeakPolarHBondContact CA-OXT 3.39Å; R254-N258 WeakPolarHBondContact O-CA 3.49Å

Retrieved 258 of 258 residues in 500.8 ms (Link to these results)

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