A0A3Q0KIE2_SCHMA Loading...

Short chain dehydrogenase,putative

AlphaFold DB , UniProt , Accession A0A3Q0KIE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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
1M28.7Very low54.3Low242 Ų242118.1 Ų118.1100%1.19258%0.577SS**  0137.70-80.5162.3101.300108
2Q27.4Very low57.7Low195 Ų195122.9 Ų122.991%0.91158%0.584SS**  trans56.390-165.3-98.9175.912.800116.3S4Q2-S4 PolarHBondContact O-N 2.89Å
3K25.6Very low60.6Low207 Ų207117.6 Ų117.690%0.956%0.561SS**  trans-62104.1151-76.3-178.6176.1-179.70105.9K5K3-K5 PolarHBondContact O-N 3.49Å
4S32.2Very low62.9Low94 Ų94114.6 Ų114.666%0.65756%0.556SS**  trans-60.4105.2169.865.20000106.5Q2 I6Q2-S4 PolarHBondContact O-N 2.89Å; S4-I6 PolarHBondContact O-N 3.47Å
5K36.4Very low65Low176 Ų176108.2 Ų108.277%0.76553%0.532SS*.  trans-6391.3162.2-79.8-178.9177.21790105.5K3 T7K3-K5 PolarHBondContact O-N 3.49Å; K5-T7 HydrophobicContact CB-CG2 4Å; K5-T7 HydrophobicContact CG-CG2 4.34Å; K5-T7 PolarHBondContact O-N 2.94Å
6I48Very low67.1Low115 Ų115106 Ų10659%0.5952%0.516SS*.  trans-72.663.8158.1-52.1175.5000105.2S4S4-I6 PolarHBondContact O-N 3.47Å
7T53.4Low68.9Low80 Ų80100.6 Ų100.649%0.49149%0.49SS..  trans-95.893.717049.80000105.3K5 R9K5-T7 HydrophobicContact CB-CG2 4Å; K5-T7 HydrophobicContact CG-CG2 4.34Å; K5-T7 PolarHBondContact O-N 2.94Å; T7-R9 PolarHBondContact O-N 3.09Å
8N69.4Low70.5Confident37 Ų3799.6 Ų99.620%0.19849%0.487CS..  trans-69.7103.1172.2-89.433.4000109L10 I259 N285N8-L10 PolarHBondContact O-N 3.34Å; N8-I259 HydrophobicContact CB-CG2 4.44Å; N8-I259 WeakPolarHBondContact ND2-CD1 3.35Å; N8-I259 WeakPolarHBondContact ND2-CG2 3.36Å; N8-N285 PolarHBondContact OD1-OD1 3.23Å
9R87Confident71.8Confident112 Ų11298.1 Ų98.142%0.42350%0.499SS..  trans-68.6131.9174-82.3-173.8-73.6-142.4-32.7109.1T7 N285 C286 E287T7-R9 PolarHBondContact O-N 3.09Å; R9-N285 HydrophobicContact CB-CB 4.49Å; R9-N285 VanDerWaalsContact CB-O 3.28Å; R9-N285 WeakPolarHBondContact CB-O 3.24Å; R9-N285 PolarHBondContact NE-O 3.16Å; R9-C286 HydrophobicContact CB-CB 4.24Å; R9-C286 PolarHBondContact O-SG 2.88Å; R9-E287 VanDerWaalsContact CZ-CD 3.44Å; R9-E287 IonicContact CZ-OE1 2.68Å; R9-E287 IonicContact CZ-OE2 3.21Å; R9-E287 IonicContact NH1-OE2 3.98Å; R9-E287 PolarHBondContact NH1-OE2 3.42Å; R9-E287 IonicContact NH2-OE1 3.84Å; R9-E287 PolarHBondContact NH2-OE1 3.01Å; R9-E287 IonicContact NH2-OE2 2.74Å; R9-E287 PolarHBondContact NH2-OE2 3.06Å
10L93.7Very high73.2Confident40 Ų4096.4 Ų96.421%0.20949%0.488CS..  trans-89.5149.9174.7-51.2179.7000109.6N8 R12 W262 E263 Q266N8-L10 PolarHBondContact O-N 3.34Å; L10-R12 PolarHBondContact O-N 3.16Å; L10-R12 VanDerWaalsContact O-N 3.14Å; L10-W262 HydrophobicContact CD1-CH2 4.02Å; L10-W262 HydrophobicContact CD1-CZ3 3.93Å; L10-W262 HydrophobicContact CD2-CH2 4.24Å; L10-W262 HydrophobicContact CD2-CZ3 3.68Å; L10-W262 HydrophobicContact CG-CZ3 4.34Å; L10-E263 HydrophobicContact CD2-CG 4.08Å; L10-Q266 HydrophobicContact CB-CG 4.45Å; L10-Q266 HydrophobicContact CD2-CG 3.92Å
11C96Very high74.4Confident1 Ų192.2 Ų92.21%0.00747%0.468CS..  trans-72.7110.3174.4177.10000109.1Q266 L269C11-Q266 HydrophobicContact CB-CB 4.42Å; C11-Q266 WeakPolarHBondContact CB-O 3.32Å; C11-L269 HydrophobicContact CB-CB 4.39Å; C11-L269 HydrophobicContact CB-CD2 4.14Å; C11-L269 HydrophobicContact CB-CG 4.24Å
12R95.3Very high77.7Confident176 Ų17680.7 Ų80.766%0.66441%0.411SS*.  trans-105.910.6176-65-173.8174.6-175.61.3113.2L10 A80L10-R12 PolarHBondContact O-N 3.16Å; L10-R12 VanDerWaalsContact O-N 3.14Å; R12-A80 PolarHBondContact NE-O 3.02Å; R12-A80 VanDerWaalsContact NE-O 3.14Å
13L95.5Very high81.1Confident54 Ų5471.4 Ų71.428%0.28337%0.367SS..  trans-65.8133.4-178.7-67.2-177.5000110.7R42 Y270 L273 I274L13-R42 PolarHBondContact O-NH2 2.85Å; L13-Y270 HydrophobicContact CD1-CD2 3.52Å; L13-Y270 HydrophobicContact CD1-CE2 3.61Å; L13-Y270 HydrophobicContact CD1-CG 4.44Å; L13-Y270 HydrophobicContact CG-CD2 4.01Å; L13-Y270 HydrophobicContact CG-CE2 4.15Å; L13-L273 HydrophobicContact CB-CB 4.08Å; L13-L273 HydrophobicContact CB-CD1 4.3Å; L13-L273 HydrophobicContact CD1-CB 4.1Å; L13-I274 HydrophobicContact CD1-CB 4.49Å; L13-I274 HydrophobicContact CD1-CG2 3.69Å
14P92.6Very high84.6Confident75 Ų7561.6 Ų61.649%0.48732%0.324SS..  trans-68.6155.6165.732.3-34.1000109F87P14-F87 HydrophobicContact CB-CD1 4.33Å; P14-F87 HydrophobicContact CB-CD2 3.83Å; P14-F87 HydrophobicContact CB-CE1 3.85Å; P14-F87 HydrophobicContact CB-CE2 3.28Å; P14-F87 HydrophobicContact CB-CG 4.33Å; P14-F87 HydrophobicContact CB-CZ 3.3Å
15G94.4Very high87.8Confident19 Ų1957.1 Ų57.120%0.19629%0.293CS..  trans151.3135.6173.500000113.3R42G15-R42 PolarHBondContact O-NH1 3.16Å
16R97.5Very high90.6Very high73 Ų7349.5 Ų49.528%0.27527%0.265SS..  trans-102.2155.7169-60.6-166.560109-1.1110D18 F87 E89R16-D18 VanDerWaalsContact CB-OD2 3.32Å; R16-D18 WeakPolarHBondContact CB-OD2 3.48Å; R16-D18 WeakPolarHBondContact CD-OD2 3.23Å; R16-D18 IonicContact CZ-OD1 2.76Å; R16-D18 IonicContact CZ-OD2 2.68Å; R16-D18 IonicContact NE-OD1 3.01Å; R16-D18 PolarHBondContact NE-OD1 3.18Å; R16-D18 IonicContact NE-OD2 2.62Å; R16-D18 PolarHBondContact NE-OD2 2.68Å; R16-D18 IonicContact NH2-OD1 2.96Å; R16-D18 PolarHBondContact NH2-OD1 2.96Å; R16-D18 IonicContact NH2-OD2 3.34Å; R16-F87 HydrophobicContact CG-CB 4.35Å; R16-F87 HydrophobicContact CG-CD1 4.08Å; R16-E89 VanDerWaalsContact CZ-CD 3.45Å; R16-E89 IonicContact CZ-OE1 2.68Å; R16-E89 IonicContact CZ-OE2 3.42Å; R16-E89 IonicContact NH1-OE1 2.75Å; R16-E89 PolarHBondContact NH1-OE1 3.41Å; R16-E89 IonicContact NH1-OE2 3.26Å; R16-E89 IonicContact NH2-OE1 2.9Å; R16-E89 PolarHBondContact NH2-OE1 3.03Å; R16-E89 VanDerWaalsContact NH2-OE1 3.16Å; R16-E89 IonicContact NH2-OE2 3.39Å; R16-E89 PolarHBondContact NH2-OE2 3.22Å
17L98.1Very high92.9Very high15 Ų1544 Ų448%0.07924%0.237CC..  trans-122.930.5178.9-61.9173.2000110.3G19 K20 L39 R42 C44 I125 L273L17-G19 PolarHBondContact O-N 2.87Å; L17-K20 HydrophobicContact CB-CB 4.25Å; L17-K20 HydrophobicContact CB-CG 4.12Å; L17-K20 HydrophobicContact CD2-CG 4.42Å; L17-K20 WeakPolarHBondContact O-CB 3.22Å; L17-K20 VanDerWaalsContact O-CG 3.27Å; L17-K20 WeakPolarHBondContact O-CG 3.47Å; L17-K20 PolarHBondContact O-N 3.39Å; L17-K20 VanDerWaalsContact O-N 3.1Å; L17-L39 HydrophobicContact CD1-CD2 3.56Å; L17-R42 HydrophobicContact CB-CB 4.4Å; L17-R42 HydrophobicContact CD1-CB 4.35Å; L17-R42 HydrophobicContact CG-CB 4.32Å; L17-R42 PolarHBondContact N-O 3.19Å; L17-C44 HydrophobicContact CB-CB 3.68Å; L17-C44 WeakPolarHBondContact O-CA 3.24Å; L17-C44 WeakPolarHBondContact O-CB 3.38Å; L17-C44 PolarHBondContact O-N 2.64Å; L17-I125 HydrophobicContact CD2-CD1 4.48Å; L17-L273 HydrophobicContact CD1-CD2 4.32Å; L17-L273 HydrophobicContact CD2-CD2 4.08Å; L17-L273 HydrophobicContact CG-CD2 4.12Å
18D97.8Very high94.8Very high82 Ų8241.5 Ų41.544%0.43922%0.22SC..THydrogen-bonded Turntrans-56.1137.2179.2-56.8-59.2000111.5R16 K20 G43R16-D18 VanDerWaalsContact CB-OD2 3.32Å; R16-D18 WeakPolarHBondContact CB-OD2 3.48Å; R16-D18 WeakPolarHBondContact CD-OD2 3.23Å; R16-D18 IonicContact CZ-OD1 2.76Å; R16-D18 IonicContact CZ-OD2 2.68Å; R16-D18 IonicContact NE-OD1 3.01Å; R16-D18 PolarHBondContact NE-OD1 3.18Å; R16-D18 IonicContact NE-OD2 2.62Å; R16-D18 PolarHBondContact NE-OD2 2.68Å; R16-D18 IonicContact NH2-OD1 2.96Å; R16-D18 PolarHBondContact NH2-OD1 2.96Å; R16-D18 IonicContact NH2-OD2 3.34Å; D18-K20 PolarHBondContact O-N 3.1Å; D18-K20 VanDerWaalsContact O-N 3.14Å; D18-G43 WeakPolarHBondContact OD1-CA 3.14Å
19G96.1Very high95.9Very high70 Ų7043.8 Ų43.872%0.72223%0.232SC*.THydrogen-bonded Turntrans69.91.8-179.600000114.9L17L17-G19 PolarHBondContact O-N 2.87Å
20K98.5Very high96.2Very high64 Ų6439.7 Ų39.728%0.27822%0.224SC..  trans-83140.5175.8-57.1-64.4-176.4-179.20111L17 D18 C44 I45 D124L17-K20 HydrophobicContact CB-CB 4.25Å; L17-K20 HydrophobicContact CB-CG 4.12Å; L17-K20 HydrophobicContact CD2-CG 4.42Å; L17-K20 WeakPolarHBondContact O-CB 3.22Å; L17-K20 VanDerWaalsContact O-CG 3.27Å; L17-K20 WeakPolarHBondContact O-CG 3.47Å; L17-K20 PolarHBondContact O-N 3.39Å; L17-K20 VanDerWaalsContact O-N 3.1Å; D18-K20 PolarHBondContact O-N 3.1Å; D18-K20 VanDerWaalsContact O-N 3.14Å; K20-C44 HydrophobicContact CB-CB 4.02Å; K20-C44 VanDerWaalsContact O-CB 3.31Å; K20-C44 WeakPolarHBondContact O-CB 3.18Å; K20-I45 PolarHBondContact O-N 3.45Å; K20-D124 WeakPolarHBondContact CA-OD2 3.25Å; K20-D124 HydrophobicContact CB-CB 4.05Å; K20-D124 HydrophobicContact CD-CB 3.78Å; K20-D124 WeakPolarHBondContact CD-OD1 3.42Å; K20-D124 HydrophobicContact CG-CB 4.49Å; K20-D124 IonicContact NZ-OD1 3.71Å; K20-D124 PolarHBondContact NZ-OD1 3.05Å
21L98.9Very high96.2Very high10 Ų1038.5 Ų38.55%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-101.1126.4169.4-172.868.2000110.1I45 I47 Y120 R122 L123 D124 I125L21-I45 HydrophobicContact CD1-CB 3.94Å; L21-I45 HydrophobicContact CD1-CG2 3.7Å; L21-I47 HydrophobicContact CD1-CD1 4.02Å; L21-I47 HydrophobicContact CD1-CG1 4.09Å; L21-I47 HydrophobicContact CD2-CD1 4.32Å; L21-I47 HydrophobicContact CG-CD1 4.4Å; L21-Y120 HydrophobicContact CD1-CD1 4.24Å; L21-Y120 HydrophobicContact CD1-CE1 3.98Å; L21-Y120 HydrophobicContact CD2-CD1 3.47Å; L21-Y120 VanDerWaalsContact CD2-CD1 3.47Å; L21-Y120 HydrophobicContact CD2-CD2 4.04Å; L21-Y120 HydrophobicContact CD2-CE1 4.01Å; L21-Y120 HydrophobicContact CD2-CG 3.48Å; L21-Y120 VanDerWaalsContact CD2-CG 3.48Å; L21-Y120 HydrophobicContact CG-CD1 4.49Å; L21-R122 VanDerWaalsContact CD2-O 3.32Å; L21-R122 WeakPolarHBondContact CD2-O 3.48Å; L21-L123 HydrophobicContact CD2-CD1 4.26Å; L21-L123 HydrophobicContact CG-CD1 4.18Å; L21-D124 PolarHBondContact N-OD2 3.1Å; L21-D124 WeakPolarHBondContact O-CB 3.36Å; L21-D124 PolarHBondContact O-N 3.05Å; L21-I125 PolarHBondContact O-N 3.49Å
22V98.9Very high96.3Very high0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-124.9134.3-178.6-174.50000110.2V24 L39 C44 I45 V46 I47 I125 I127V22-V24 HydrophobicContact CG1-CG2 4.08Å; V22-L39 HydrophobicContact CG1-CD1 3.85Å; V22-C44 HydrophobicContact CG2-CB 4.09Å; V22-I45 PolarHBondContact N-O 3.26Å; V22-V46 CarbonylContact O-C 3.47Å; V22-V46 WeakPolarHBondContact O-CA 3.11Å; V22-I47 PolarHBondContact O-N 3.15Å; V22-I125 CarbonylContact C-O 3.54Å; V22-I125 VanDerWaalsContact CA-O 3.29Å; V22-I125 WeakPolarHBondContact CA-O 3.37Å; V22-I125 HydrophobicContact CB-CB 4.28Å; V22-I125 HydrophobicContact CG1-CB 3.83Å; V22-I125 HydrophobicContact CG1-CG2 4.02Å; V22-I125 HydrophobicContact CG2-CB 3.94Å; V22-I125 HydrophobicContact CG2-CD1 4.11Å; V22-I125 HydrophobicContact CG2-CG1 4.2Å; V22-I127 HydrophobicContact CG1-CD1 4.18Å; V22-I127 HydrophobicContact CG1-CG1 4.31Å
23I98.9Very high96.4Very high0 Ų030.6 Ų30.60%019%0.19CC..EExtended strand (participates in β ladder)trans-106.2130.1168-65.5168.5000108.4I47 A49 F112 I116 L123 I125 L126 I127 L162I23-I47 HydrophobicContact CG1-CB 3.92Å; I23-I47 HydrophobicContact CG1-CD1 4.02Å; I23-I47 HydrophobicContact CG1-CG1 4.4Å; I23-I47 HydrophobicContact CG1-CG2 4.36Å; I23-A49 HydrophobicContact CG2-CB 4.17Å; I23-F112 HydrophobicContact CD1-CE1 4.17Å; I23-F112 HydrophobicContact CD1-CZ 4.21Å; I23-F112 HydrophobicContact CG2-CE1 4.41Å; I23-F112 HydrophobicContact CG2-CZ 4.08Å; I23-I116 HydrophobicContact CD1-CG1 4.43Å; I23-I116 HydrophobicContact CD1-CG2 4.12Å; I23-L123 HydrophobicContact CB-CD1 4.41Å; I23-L123 HydrophobicContact CD1-CD1 3.77Å; I23-L123 HydrophobicContact CD1-CD2 3.71Å; I23-L123 HydrophobicContact CD1-CG 4.42Å; I23-L123 HydrophobicContact CG1-CD1 3.75Å; I23-L123 HydrophobicContact CG1-CD2 4.46Å; I23-I125 PolarHBondContact N-O 3.03Å; I23-L126 HydrophobicContact CB-CD1 3.84Å; I23-L126 HydrophobicContact CG2-CD1 3.78Å; I23-I127 PolarHBondContact O-N 2.96Å; I23-L162 HydrophobicContact CD1-CD1 3.8Å
24V98.9Very high96.5Very high0 Ų029.4 Ų29.40%018%0.183CC..EExtended strand (participates in β ladder)trans-120.9117.9171.9-175.20000108.7V22 A27 L39 V46 I47 A49 I127 N129V22-V24 HydrophobicContact CG1-CG2 4.08Å; V24-A27 HydrophobicContact CB-CB 4.11Å; V24-A27 HydrophobicContact CG1-CB 4.07Å; V24-A27 WeakPolarHBondContact O-CB 3.06Å; V24-L39 HydrophobicContact CG2-CD1 3.84Å; V24-V46 HydrophobicContact CG2-CG1 3.95Å; V24-I47 PolarHBondContact N-O 3.06Å; V24-A49 PolarHBondContact O-N 3.34Å; V24-I127 HydrophobicContact CG2-CB 4.35Å; V24-I127 HydrophobicContact CG2-CD1 4.19Å; V24-I127 HydrophobicContact CG2-CG1 4.47Å; V24-N129 HydrophobicContact CG1-CB 4.23Å
25T98.7Very high96.8Very high1 Ų125.9 Ų25.91%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-80.3141.9175.269.70000110.9L101 I127 H128 N129 A130 L158T25-L101 HydrophobicContact CG2-CD2 3.73Å; T25-I127 PolarHBondContact N-O 3.42Å; T25-I127 PolarHBondContact OG1-O 2.89Å; T25-H128 WeakPolarHBondContact OG1-CA 3.44Å; T25-N129 CarbonylContact O-C 3.18Å; T25-N129 WeakPolarHBondContact O-CB 3.27Å; T25-N129 PolarHBondContact O-ND2 3.44Å; T25-N129 PolarHBondContact OG1-N 2.93Å; T25-A130 PolarHBondContact O-N 3.27Å; T25-A130 WeakPolarHBondContact OG1-CB 3.49Å; T25-A130 PolarHBondContact OG1-N 3.24Å; T25-L158 HydrophobicContact CG2-CD2 4.01Å
26G95.5Very high97Very high16 Ų1625 Ų2517%0.16515%0.15CC..THydrogen-bonded Turntrans67.138.2-179.600000112.4N28 A49 N129G26-N28 VanDerWaalsContact C-N 3.28Å; G26-N28 PolarHBondContact O-N 3.1Å; G26-A49 PolarHBondContact N-O 3.29Å; G26-N129 PolarHBondContact O-ND2 2.9Å
27A96Very high97Very high0 Ų021.5 Ų21.50%014%0.138CC..THydrogen-bonded Turntrans-84.27.1-173.300000114.6V24 L33 S36 M48V24-A27 HydrophobicContact CB-CB 4.11Å; V24-A27 HydrophobicContact CG1-CB 4.07Å; V24-A27 WeakPolarHBondContact O-CB 3.06Å; A27-L33 WeakPolarHBondContact O-CA 3.18Å; A27-L33 WeakPolarHBondContact O-CD1 3.21Å; A27-S36 WeakPolarHBondContact CB-OG 3.14Å; A27-M48 HydrophobicContact CB-CB 3.7Å; A27-M48 HydrophobicContact CB-CE 4.24Å; A27-M48 HydrophobicContact CB-CG 3.98Å; A27-M48 WeakPolarHBondContact O-CE 3.19Å
28N92.6Very high97Very high26 Ų2621 Ų2114%0.13914%0.135CC..THydrogen-bonded Turntrans-81.3-26.3-177.560.8-59.6000113.7G26 C50 K55G26-N28 VanDerWaalsContact C-N 3.28Å; G26-N28 PolarHBondContact O-N 3.1Å; N28-C50 HydrophobicContact CB-CB 4.43Å; N28-K55 HydrophobicContact CB-CB 4.12Å
29I92.8Very high97Very high86 Ų8617 Ų1744%0.44111%0.114SC..SBendtrans-148.3172.6-177.860.2172.2000111.5G32 L33I29-G32 PolarHBondContact O-N 3.14Å; I29-L33 PolarHBondContact O-N 3.36Å
30G93.1Very high97.1Very high26 Ų2613.7 Ų13.727%0.2688%0.079SC..Hα-helixtrans58.4-144.1168.500000113.5G32 L33 E34G30-G32 VanDerWaalsContact C-N 3.25Å; G30-G32 PolarHBondContact O-N 3.1Å; G30-L33 PolarHBondContact O-N 3.44Å; G30-E34 WeakPolarHBondContact O-CG 3.44Å; G30-E34 PolarHBondContact O-N 2.7Å; G30-E34 VanDerWaalsContact O-N 3.14Å
31C94.8Very high97.1Very high14 Ų1410.8 Ų10.810%0.0957%0.067CC..Hα-helixtrans-59.5-36.3-176.4-61.20000112.5L33 E34 L35C31-L33 PolarHBondContact O-N 2.72Å; C31-E34 PolarHBondContact O-N 2.72Å; C31-L35 WeakPolarHBondContact O-CB 3.37Å; C31-L35 PolarHBondContact O-N 2.79Å
32G97Very high97Very high0 Ų010.3 Ų10.30%06%0.064CC..Hα-helixtrans-64.9-40.4-179.500000112.4I29 G30 S36 N129I29-G32 PolarHBondContact O-N 3.14Å; G30-G32 VanDerWaalsContact C-N 3.25Å; G30-G32 PolarHBondContact O-N 3.1Å; G32-S36 WeakPolarHBondContact O-CB 3.32Å; G32-S36 PolarHBondContact O-N 3.48Å; G32-S36 PolarHBondContact O-OG 2.73Å; G32-N129 WeakPolarHBondContact CA-ND2 3.49Å; G32-N129 PolarHBondContact N-ND2 3.11Å; G32-N129 PolarHBondContact N-OD1 3.41Å
33L97.7Very high97Very high12 Ų1211 Ų116%0.0637%0.072CC..Hα-helixtrans-66.6-48.8175.8-176.167.2000111.4A27 I29 G30 C31 L35 S36 G37 M48 G59 I62 L63A27-L33 WeakPolarHBondContact O-CA 3.18Å; A27-L33 WeakPolarHBondContact O-CD1 3.21Å; I29-L33 PolarHBondContact O-N 3.36Å; G30-L33 PolarHBondContact O-N 3.44Å; C31-L33 PolarHBondContact O-N 2.72Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.16Å; L33-S36 WeakPolarHBondContact O-CB 3.45Å; L33-S36 PolarHBondContact O-N 2.9Å; L33-G37 PolarHBondContact O-N 2.76Å; L33-M48 HydrophobicContact CD1-CE 3.73Å; L33-G59 WeakPolarHBondContact CD1-O 3.25Å; L33-I62 HydrophobicContact CD2-CG2 4.37Å; L33-L63 HydrophobicContact CD1-CD1 3.85Å; L33-L63 HydrophobicContact CD1-CD2 4.15Å; L33-L63 HydrophobicContact CD1-CG 3.76Å; L33-L63 HydrophobicContact CG-CD2 4.2Å; L33-L63 HydrophobicContact CG-CG 4.36Å
34E97.5Very high97Very high28 Ų2811 Ų1113%0.1317%0.072CC..Hα-helixtrans-61.2-43.1178.9-64.5-61153.700111.7G30 C31 G37 E38 R66 P261 W262 A265G30-E34 WeakPolarHBondContact O-CG 3.44Å; G30-E34 PolarHBondContact O-N 2.7Å; G30-E34 VanDerWaalsContact O-N 3.14Å; C31-E34 PolarHBondContact O-N 2.72Å; E34-G37 PolarHBondContact O-N 3.3Å; E34-E38 PolarHBondContact O-N 2.96Å; E34-R66 VanDerWaalsContact CD-NH1 3.32Å; E34-R66 IonicContact OE1-CZ 2.91Å; E34-R66 IonicContact OE1-NH1 3.75Å; E34-R66 PolarHBondContact OE1-NH1 3.26Å; E34-R66 IonicContact OE1-NH2 2.9Å; E34-R66 IonicContact OE2-CZ 3.33Å; E34-R66 IonicContact OE2-NH1 3.86Å; E34-R66 PolarHBondContact OE2-NH1 3.15Å; E34-R66 IonicContact OE2-NH2 2.9Å; E34-R66 PolarHBondContact OE2-NH2 2.76Å; E34-P261 HydrophobicContact CG-CB 4.08Å; E34-W262 HydrophobicContact CB-CB 4.33Å; E34-W262 HydrophobicContact CG-CB 4.05Å; E34-A265 HydrophobicContact CB-CB 4.21Å
35L98.2Very high97Very high1 Ų114 Ų141%0.0059%0.087CC..Hα-helixtrans-62.2-43.8175.8-176.456.4000111.5C31 L33 G37 E38 L39 I127 A265 A268 L269C31-L35 WeakPolarHBondContact O-CB 3.37Å; C31-L35 PolarHBondContact O-N 2.79Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.16Å; L35-G37 VanDerWaalsContact C-N 3.28Å; L35-G37 PolarHBondContact O-N 2.72Å; L35-E38 PolarHBondContact O-N 3.1Å; L35-L39 HydrophobicContact CD1-CD1 4.04Å; L35-L39 HydrophobicContact CD1-CG 4.06Å; L35-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 HydrophobicContact CG-CG 4.3Å; L35-L39 WeakPolarHBondContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CD1 3.42Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 2.93Å; L35-I127 HydrophobicContact CD2-CD1 3.7Å; L35-I127 HydrophobicContact CD2-CG2 3.85Å; L35-I127 HydrophobicContact CG-CD1 4.29Å; L35-A265 HydrophobicContact CB-CB 3.92Å; L35-A268 HydrophobicContact CD1-CB 4.31Å; L35-A268 HydrophobicContact CD2-CB 3.72Å; L35-L269 HydrophobicContact CD1-CB 3.89Å
36S98.7Very high97Very high0 Ų014 Ų140%09%0.087CC..Hα-helixtrans-59.6-40.2176.7-610000111.7A27 G32 L33 A40A27-S36 WeakPolarHBondContact CB-OG 3.14Å; G32-S36 WeakPolarHBondContact O-CB 3.32Å; G32-S36 PolarHBondContact O-N 3.48Å; G32-S36 PolarHBondContact O-OG 2.73Å; L33-S36 WeakPolarHBondContact O-CB 3.45Å; L33-S36 PolarHBondContact O-N 2.9Å; S36-A40 VanDerWaalsContact O-CB 3.28Å; S36-A40 WeakPolarHBondContact O-CB 3.32Å; S36-A40 PolarHBondContact O-N 2.83Å
37G98Very high97.2Very high1 Ų113.2 Ų13.21%0.018%0.079CC..Hα-helixtrans-62.9-50.4174.100000113L33 E34 L35 L39 A40 R41L33-G37 PolarHBondContact O-N 2.76Å; E34-G37 PolarHBondContact O-N 3.3Å; L35-G37 VanDerWaalsContact C-N 3.28Å; L35-G37 PolarHBondContact O-N 2.72Å; G37-L39 VanDerWaalsContact C-N 3.31Å; G37-L39 PolarHBondContact O-N 3.17Å; G37-A40 PolarHBondContact O-N 3.18Å; G37-R41 WeakPolarHBondContact O-CB 3.29Å; G37-R41 WeakPolarHBondContact O-CG 3.44Å; G37-R41 PolarHBondContact O-N 3.31Å
38E98.1Very high97.3Very high3 Ų313.2 Ų13.21%0.0148%0.079CC..Hα-helixtrans-63.3-36.4179.2-69.3-65.9131.100112.5E34 L35 R41 R42 W262 L269E34-E38 PolarHBondContact O-N 2.96Å; L35-E38 PolarHBondContact O-N 3.1Å; E38-R41 IonicContact OE1-NH1 2.87Å; E38-R41 PolarHBondContact OE1-NH1 2.97Å; E38-R42 WeakPolarHBondContact O-CG 3.35Å; E38-R42 PolarHBondContact O-N 3.01Å; E38-W262 PolarHBondContact OE1-NE1 2.93Å; E38-L269 HydrophobicContact CB-CD1 4.28Å; E38-L269 HydrophobicContact CB-CD2 3.87Å; E38-L269 HydrophobicContact CG-CD2 4.22Å
39L98.7Very high97.6Very high0 Ų012 Ų120%07%0.073CC..Hα-helixtrans-68-48.1175.2-70.6169.1000111.8L17 V22 V24 L35 G37 R41 R42 C44 V46 I127 L269 T272L17-L39 HydrophobicContact CD1-CD2 3.56Å; V22-L39 HydrophobicContact CG1-CD1 3.85Å; V24-L39 HydrophobicContact CG2-CD1 3.84Å; L35-L39 HydrophobicContact CD1-CD1 4.04Å; L35-L39 HydrophobicContact CD1-CG 4.06Å; L35-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 HydrophobicContact CG-CG 4.3Å; L35-L39 WeakPolarHBondContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CD1 3.42Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 2.93Å; G37-L39 VanDerWaalsContact C-N 3.31Å; G37-L39 PolarHBondContact O-N 3.17Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.11Å; L39-R42 WeakPolarHBondContact O-CA 3.43Å; L39-R42 WeakPolarHBondContact O-CB 3.4Å; L39-R42 PolarHBondContact O-N 2.88Å; L39-C44 PolarHBondContact O-SG 3.42Å; L39-V46 HydrophobicContact CB-CG2 3.86Å; L39-I127 HydrophobicContact CD1-CD1 3.85Å; L39-L269 HydrophobicContact CD2-CD1 4.1Å; L39-T272 HydrophobicContact CD2-CG2 4Å
40A98.4Very high97.8Very high0 Ų08 Ų80%05%0.052CC..Hα-helixtrans-63.5-38.6-179.900000111.9S36 G37 R42 G43 V46 V91 Q95 L96S36-A40 VanDerWaalsContact O-CB 3.28Å; S36-A40 WeakPolarHBondContact O-CB 3.32Å; S36-A40 PolarHBondContact O-N 2.83Å; G37-A40 PolarHBondContact O-N 3.18Å; A40-R42 PolarHBondContact O-N 2.96Å; A40-R42 VanDerWaalsContact O-N 3.16Å; A40-G43 PolarHBondContact O-N 3.18Å; A40-V46 HydrophobicContact CB-CG2 4.12Å; A40-V91 HydrophobicContact CB-CG1 3.85Å; A40-V91 HydrophobicContact CB-CG2 3.87Å; A40-Q95 PolarHBondContact O-NE2 3.47Å; A40-L96 HydrophobicContact CB-CD2 3.73Å
41R97.5Very high98Very high2 Ų214 Ų141%0.0087%0.067CC..Hα-helixtrans-61.1-22173.4-71.4169.477.5-170.64.7112.6G37 E38 L39 G43 F67 W75 K77 L88 E89 V91G37-R41 WeakPolarHBondContact O-CB 3.29Å; G37-R41 WeakPolarHBondContact O-CG 3.44Å; G37-R41 PolarHBondContact O-N 3.31Å; E38-R41 IonicContact OE1-NH1 2.87Å; E38-R41 PolarHBondContact OE1-NH1 2.97Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.11Å; R41-G43 VanDerWaalsContact C-N 3.29Å; R41-F67 HydrophobicContact CG-CB 4.01Å; R41-F67 HydrophobicContact CG-CD1 4.33Å; R41-F67 HydrophobicContact CG-CD2 4.31Å; R41-F67 HydrophobicContact CG-CG 3.99Å; R41-W75 VanDerWaalsContact CZ-O 3.22Å; R41-W75 PolarHBondContact NE-O 3.26Å; R41-W75 VanDerWaalsContact NE-O 3.13Å; R41-W75 PolarHBondContact NH2-O 3.4Å; R41-K77 PolarHBondContact NH2-O 3.04Å; R41-L88 HydrophobicContact CB-CB 4.47Å; R41-L88 HydrophobicContact CB-CD2 4.06Å; R41-L88 VanDerWaalsContact NH2-CD1 3.31Å; R41-L88 CarbonylContact O-C 3.47Å; R41-L88 VanDerWaalsContact O-CA 3.29Å; R41-L88 WeakPolarHBondContact O-CA 3.46Å; R41-E89 PolarHBondContact O-N 3.26Å; R41-V91 HydrophobicContact CB-CG2 4.31Å; R41-V91 HydrophobicContact CG-CG2 3.54Å
42R98Very high98.1Very high1 Ų115.9 Ų15.90%0.0048%0.076CC..THydrogen-bonded Turntrans-899.1174.4-67.7177.6178.3-746.9113.4L13 G15 L17 E38 L39 A40 L88L13-R42 PolarHBondContact O-NH2 2.85Å; G15-R42 PolarHBondContact O-NH1 3.16Å; L17-R42 HydrophobicContact CB-CB 4.4Å; L17-R42 HydrophobicContact CD1-CB 4.35Å; L17-R42 HydrophobicContact CG-CB 4.32Å; L17-R42 PolarHBondContact N-O 3.19Å; E38-R42 WeakPolarHBondContact O-CG 3.35Å; E38-R42 PolarHBondContact O-N 3.01Å; L39-R42 WeakPolarHBondContact O-CA 3.43Å; L39-R42 WeakPolarHBondContact O-CB 3.4Å; L39-R42 PolarHBondContact O-N 2.88Å; A40-R42 PolarHBondContact O-N 2.96Å; A40-R42 VanDerWaalsContact O-N 3.16Å; R42-L88 HydrophobicContact CG-CD2 3.89Å
43G98Very high98.1Very high15 Ų1519.2 Ų19.216%0.1559%0.093CC..THydrogen-bonded Turntrans93.8-2.8169.100000116.2D18 A40 R41D18-G43 WeakPolarHBondContact OD1-CA 3.14Å; A40-G43 PolarHBondContact O-N 3.18Å; R41-G43 VanDerWaalsContact C-N 3.29Å
44C98.6Very high98.1Very high0 Ų026.4 Ų26.40%013%0.126CC..  trans-76.2167176.970.50000112.8L17 K20 V22 L39 Q95L17-C44 HydrophobicContact CB-CB 3.68Å; L17-C44 WeakPolarHBondContact O-CA 3.24Å; L17-C44 WeakPolarHBondContact O-CB 3.38Å; L17-C44 PolarHBondContact O-N 2.64Å; K20-C44 HydrophobicContact CB-CB 4.02Å; K20-C44 VanDerWaalsContact O-CB 3.31Å; K20-C44 WeakPolarHBondContact O-CB 3.18Å; V22-C44 HydrophobicContact CG2-CB 4.09Å; L39-C44 PolarHBondContact O-SG 3.42Å; C44-Q95 PolarHBondContact O-NE2 2.89Å
45I98.8Very high98.1Very high63 Ų6330.4 Ų30.432%0.32314%0.143SC..EExtended strand (participates in β ladder)trans-91.6129.4164.3-60.8172.2000107.7K20 L21 V22 Q95 I97K20-I45 PolarHBondContact O-N 3.45Å; L21-I45 HydrophobicContact CD1-CB 3.94Å; L21-I45 HydrophobicContact CD1-CG2 3.7Å; V22-I45 PolarHBondContact N-O 3.26Å; I45-Q95 CarbonylContact C-O 3.55Å; I45-I97 HydrophobicContact CG2-CD1 3.64Å; I45-I97 HydrophobicContact CG2-CG1 4.19Å
46V98.9Very high98.1Very high0 Ų030.3 Ų30.30%014%0.143CC..EExtended strand (participates in β ladder)trans-114.4117.3178.9-173.30000109.7V22 V24 L39 A40 M48 Q95 L96 I97V22-V46 CarbonylContact O-C 3.47Å; V22-V46 WeakPolarHBondContact O-CA 3.11Å; V24-V46 HydrophobicContact CG2-CG1 3.95Å; L39-V46 HydrophobicContact CB-CG2 3.86Å; A40-V46 HydrophobicContact CB-CG2 4.12Å; V46-M48 HydrophobicContact CG1-CG 4.24Å; V46-M48 PolarHBondContact O-N 3Å; V46-Q95 PolarHBondContact N-O 2.77Å; V46-L96 HydrophobicContact CB-CD2 4.22Å; V46-I97 PolarHBondContact O-N 3.19Å
47I98.9Very high98.1Very high0 Ų035.4 Ų35.40%017%0.165CC..EExtended strand (participates in β ladder)trans-84.5106.1164.7-58179.1000107.7L21 V22 I23 V24 A49 I97 E99 F112 I116 Y120L21-I47 HydrophobicContact CD1-CD1 4.02Å; L21-I47 HydrophobicContact CD1-CG1 4.09Å; L21-I47 HydrophobicContact CD2-CD1 4.32Å; L21-I47 HydrophobicContact CG-CD1 4.4Å; V22-I47 PolarHBondContact O-N 3.15Å; I23-I47 HydrophobicContact CG1-CB 3.92Å; I23-I47 HydrophobicContact CG1-CD1 4.02Å; I23-I47 HydrophobicContact CG1-CG1 4.4Å; I23-I47 HydrophobicContact CG1-CG2 4.36Å; V24-I47 PolarHBondContact N-O 3.06Å; I47-A49 PolarHBondContact O-N 3.05Å; I47-I97 CarbonylContact C-O 3.5Å; I47-I97 VanDerWaalsContact CA-O 3.32Å; I47-I97 WeakPolarHBondContact CA-O 3.42Å; I47-I97 HydrophobicContact CG1-CB 4.36Å; I47-E99 HydrophobicContact CG2-CB 3.91Å; I47-E99 HydrophobicContact CG2-CG 3.86Å; I47-F112 HydrophobicContact CG2-CE2 4.31Å; I47-F112 HydrophobicContact CG2-CZ 4.23Å; I47-I116 HydrophobicContact CD1-CD1 3.8Å; I47-Y120 HydrophobicContact CD1-CD2 4.29Å; I47-Y120 HydrophobicContact CD1-CE2 3.68Å
48M98.8Very high98.1Very high0 Ų040.5 Ų40.50%019%0.191CC..EExtended strand (participates in β ladder)trans-79.592.7173.1-60.7176.472.500108.6A27 L33 V46 C50 K60 L63 L96 I97 V98 E99A27-M48 HydrophobicContact CB-CB 3.7Å; A27-M48 HydrophobicContact CB-CE 4.24Å; A27-M48 HydrophobicContact CB-CG 3.98Å; A27-M48 WeakPolarHBondContact O-CE 3.19Å; L33-M48 HydrophobicContact CD1-CE 3.73Å; V46-M48 HydrophobicContact CG1-CG 4.24Å; V46-M48 PolarHBondContact O-N 3Å; M48-C50 PolarHBondContact O-N 3.45Å; M48-K60 HydrophobicContact SD-CB 4.16Å; M48-L63 HydrophobicContact CE-CD1 4.06Å; M48-L63 HydrophobicContact SD-CD1 4.3Å; M48-L96 HydrophobicContact SD-CB 4.2Å; M48-L96 HydrophobicContact SD-CD2 4.11Å; M48-I97 PolarHBondContact N-O 3.49Å; M48-V98 HydrophobicContact CB-CG2 4.41Å; M48-V98 HydrophobicContact SD-CG2 4.42Å; M48-E99 PolarHBondContact O-N 2.92Å
49A98.8Very high98.1Very high1 Ų140.4 Ų40.41%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-85.5111.1-17800000110.2I23 V24 G26 I47 E99 L101 F112I23-A49 HydrophobicContact CG2-CB 4.17Å; V24-A49 PolarHBondContact O-N 3.34Å; G26-A49 PolarHBondContact N-O 3.29Å; I47-A49 PolarHBondContact O-N 3.05Å; A49-E99 WeakPolarHBondContact CA-O 3.38Å; A49-L101 HydrophobicContact CB-CB 3.91Å; A49-L101 HydrophobicContact CB-CD2 3.69Å; A49-L101 HydrophobicContact CB-CG 4.47Å; A49-F112 HydrophobicContact CB-CE2 3.89Å; A49-F112 HydrophobicContact CB-CZ 3.86Å
50C97.6Very high98.1Very high1 Ų141.7 Ų41.71%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-131.3137.9-167.3-63.40000110.9N28 M48 E99 H100 L101N28-C50 HydrophobicContact CB-CB 4.43Å; M48-C50 PolarHBondContact O-N 3.45Å; C50-E99 PolarHBondContact N-O 3.09Å; C50-H100 WeakPolarHBondContact O-CA 3.48Å; C50-L101 CarbonylContact C-O 3.55Å; C50-L101 PolarHBondContact O-N 2.82Å
51R96.7Very high98.1Very high153 Ų15345.6 Ų45.658%0.57722%0.215SC*.SBendtrans-68.6-44.9172.5-178-175.769.5-175.60.5111.5H100 L101 D102R51-H100 PolarHBondContact O-CD2 3.07Å; R51-H100 VanDerWaalsContact O-CD2 3.24Å; R51-H100 PolarHBondContact O-NE2 2.63Å; R51-L101 WeakPolarHBondContact CA-O 3.43Å; R51-L101 PolarHBondContact N-O 2.78Å; R51-L101 VanDerWaalsContact N-O 3.09Å; R51-D102 WeakPolarHBondContact CD-OD2 3.19Å; R51-D102 HydrophobicContact CG-CB 3.93Å
52D96.8Very high98.1Very high53 Ų5348.8 Ų48.828%0.28323%0.232SC..SBendtrans-97.6106.5179-176.7-32.1000108.6E54 K55 G56D52-E54 WeakPolarHBondContact OD1-CB 3.19Å; D52-E54 PolarHBondContact OD1-N 2.85Å; D52-E54 VanDerWaalsContact OD1-N 3.11Å; D52-K55 HydrophobicContact CB-CB 4.11Å; D52-K55 HydrophobicContact CB-CD 4.2Å; D52-K55 HydrophobicContact CB-CG 4.3Å; D52-K55 PolarHBondContact OD1-N 3Å; D52-K55 VanDerWaalsContact OD2-CD 3.24Å; D52-K55 WeakPolarHBondContact OD2-CD 3.41Å; D52-K55 VanDerWaalsContact OD2-CE 3.23Å; D52-K55 WeakPolarHBondContact OD2-CE 3.31Å; D52-K55 WeakPolarHBondContact OD2-CG 3.37Å; D52-K55 IonicContact OD2-NZ 3.12Å; D52-G56 PolarHBondContact O-N 3.37Å
53L98Very high98.1Very high70 Ų7048.8 Ų48.837%0.36623%0.232SC..Hα-helixtrans-65.9-38-177.6-76.2178.1000112.2G56 F57 V98 H100L53-G56 WeakPolarHBondContact O-CA 3.49Å; L53-G56 PolarHBondContact O-N 2.85Å; L53-G56 VanDerWaalsContact O-N 3.11Å; L53-F57 HydrophobicContact CB-CE2 4.36Å; L53-F57 WeakPolarHBondContact O-CD2 3.43Å; L53-F57 PolarHBondContact O-N 2.93Å; L53-V98 HydrophobicContact CD2-CG1 3.95Å; L53-H100 HydrophobicContact CD1-CB 4.19Å; L53-H100 HydrophobicContact CD2-CB 3.91Å; L53-H100 HydrophobicContact CG-CB 4.12Å
54E98.3Very high98Very high162 Ų16248.5 Ų48.576%0.75723%0.226SC*.Hα-helixtrans-61.9-47.8179.4-173.2-179.4176.400110.1D52 G56 F57 L58D52-E54 WeakPolarHBondContact OD1-CB 3.19Å; D52-E54 PolarHBondContact OD1-N 2.85Å; D52-E54 VanDerWaalsContact OD1-N 3.11Å; E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 2.94Å; E54-F57 PolarHBondContact O-N 2.87Å; E54-L58 PolarHBondContact O-N 2.79Å
55K97.3Very high97.9Very high112 Ų11252.8 Ų52.849%0.48725%0.25SC..Hα-helixtrans-64.5-33.7173.3-67.8-178.4-172.4174.80112.5N28 D52 L58 G59N28-K55 HydrophobicContact CB-CB 4.12Å; D52-K55 HydrophobicContact CB-CB 4.11Å; D52-K55 HydrophobicContact CB-CD 4.2Å; D52-K55 HydrophobicContact CB-CG 4.3Å; D52-K55 PolarHBondContact OD1-N 3Å; D52-K55 VanDerWaalsContact OD2-CD 3.24Å; D52-K55 WeakPolarHBondContact OD2-CD 3.41Å; D52-K55 VanDerWaalsContact OD2-CE 3.23Å; D52-K55 WeakPolarHBondContact OD2-CE 3.31Å; D52-K55 WeakPolarHBondContact OD2-CG 3.37Å; D52-K55 IonicContact OD2-NZ 3.12Å; K55-L58 PolarHBondContact O-N 3.09Å; K55-G59 PolarHBondContact O-N 2.92Å
56G98.1Very high97.8Very high0 Ų053.8 Ų53.80%025%0.249CC..Hα-helixtrans-60.5-48.517400000112.4D52 L53 E54 G59 K60D52-G56 PolarHBondContact O-N 3.37Å; L53-G56 WeakPolarHBondContact O-CA 3.49Å; L53-G56 PolarHBondContact O-N 2.85Å; L53-G56 VanDerWaalsContact O-N 3.11Å; E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 2.94Å; G56-G59 PolarHBondContact O-N 2.94Å; G56-K60 PolarHBondContact O-N 3.11Å
57F98.6Very high97.7Very high107 Ų10754.4 Ų54.447%0.46925%0.252SS..Hα-helixtrans-66.5-38.7176.2-74.1-65.9000112.4L53 E54 G59 K60 E61 V98L53-F57 HydrophobicContact CB-CE2 4.36Å; L53-F57 WeakPolarHBondContact O-CD2 3.43Å; L53-F57 PolarHBondContact O-N 2.93Å; E54-F57 PolarHBondContact O-N 2.87Å; F57-G59 PolarHBondContact O-N 2.84Å; F57-K60 WeakPolarHBondContact O-CB 3.47Å; F57-K60 PolarHBondContact O-N 3.36Å; F57-E61 PolarHBondContact O-N 3.35Å; F57-V98 HydrophobicContact CD1-CB 4.11Å; F57-V98 HydrophobicContact CD1-CG1 4.44Å; F57-V98 HydrophobicContact CD1-CG2 3.98Å; F57-V98 HydrophobicContact CD2-CG1 4.4Å; F57-V98 HydrophobicContact CE1-CB 3.84Å; F57-V98 HydrophobicContact CE1-CG1 4.34Å; F57-V98 HydrophobicContact CE1-CG2 4.15Å; F57-V98 HydrophobicContact CE2-CG1 4.28Å; F57-V98 HydrophobicContact CG-CG1 4.46Å; F57-V98 HydrophobicContact CZ-CB 4.1Å; F57-V98 HydrophobicContact CZ-CG1 4.24Å
58L98.3Very high97.6Very high107 Ų10754.5 Ų54.556%0.5625%0.253SS*.Hα-helixtrans-61.2-44.4172.9-178.562000111.6E54 K55 K60 E61 I62E54-L58 PolarHBondContact O-N 2.79Å; K55-L58 PolarHBondContact O-N 3.09Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.76Å; L58-E61 PolarHBondContact O-N 3.48Å; L58-I62 HydrophobicContact CG-CD1 4.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.24Å; L58-I62 PolarHBondContact O-N 2.94Å
59G97.9Very high97.2Very high1 Ų160.8 Ų60.81%0.0129%0.287CS..Hα-helixtrans-58.2-4417400000112.1L33 K55 G56 F57 E61 I62 L63L33-G59 WeakPolarHBondContact CD1-O 3.25Å; K55-G59 PolarHBondContact O-N 2.92Å; G56-G59 PolarHBondContact O-N 2.94Å; F57-G59 PolarHBondContact O-N 2.84Å; G59-E61 PolarHBondContact O-N 3.16Å; G59-I62 WeakPolarHBondContact O-CB 3.44Å; G59-I62 PolarHBondContact O-N 2.99Å; G59-L63 PolarHBondContact O-N 3.45Å
60K98.4Very high96.8Very high28 Ų2868.1 Ų68.112%0.12231%0.314CS..Hα-helixtrans-57.7-47.8174.1173174.9174.6167.40112.1M48 G56 F57 L58 I62 L63 L64 T93 L96 V98M48-K60 HydrophobicContact SD-CB 4.16Å; G56-K60 PolarHBondContact O-N 3.11Å; F57-K60 WeakPolarHBondContact O-CB 3.47Å; F57-K60 PolarHBondContact O-N 3.36Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.76Å; K60-I62 VanDerWaalsContact C-N 3.34Å; K60-I62 PolarHBondContact O-N 2.99Å; K60-L63 PolarHBondContact O-N 3.43Å; K60-L64 HydrophobicContact CG-CD1 4.08Å; K60-L64 WeakPolarHBondContact O-CG 3.44Å; K60-L64 PolarHBondContact O-N 3.2Å; K60-T93 PolarHBondContact NZ-O 3.1Å; K60-L96 HydrophobicContact CD-CB 4.02Å; K60-L96 WeakPolarHBondContact CD-O 3.28Å; K60-L96 VanDerWaalsContact CE-O 3.26Å; K60-L96 WeakPolarHBondContact CE-O 3.33Å; K60-L96 HydrophobicContact CG-CB 3.94Å; K60-L96 HydrophobicContact CG-CD1 4.11Å; K60-L96 PolarHBondContact NZ-O 2.75Å; K60-V98 HydrophobicContact CB-CG2 3.96Å; K60-V98 HydrophobicContact CD-CG2 4Å
61E97.9Very high96.5Very high82 Ų8268.5 Ų68.538%0.38332%0.316SS..Hα-helixtrans-62.9-39.5178.1-71.5-53.9125.200112.2F57 L58 G59 L63 L64 D65 R70F57-E61 PolarHBondContact O-N 3.35Å; L58-E61 PolarHBondContact O-N 3.48Å; G59-E61 PolarHBondContact O-N 3.16Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 2.95Å; E61-L64 PolarHBondContact O-N 3.14Å; E61-L64 VanDerWaalsContact O-N 3.15Å; E61-D65 PolarHBondContact O-N 2.96Å; E61-R70 IonicContact OE2-NH2 3.79Å; E61-R70 PolarHBondContact OE2-NH2 2.72Å
62I97.1Very high96Very high69 Ų6969 Ų6935%0.35433%0.326SS..Hα-helixtrans-57.2-43173.8-70.8165.4000111.1L33 L58 G59 K60 R66L33-I62 HydrophobicContact CD2-CG2 4.37Å; L58-I62 HydrophobicContact CG-CD1 4.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.24Å; L58-I62 PolarHBondContact O-N 2.94Å; G59-I62 WeakPolarHBondContact O-CB 3.44Å; G59-I62 PolarHBondContact O-N 2.99Å; K60-I62 VanDerWaalsContact C-N 3.34Å; K60-I62 PolarHBondContact O-N 2.99Å; I62-R66 WeakPolarHBondContact O-CB 3.48Å; I62-R66 WeakPolarHBondContact O-CD 3.48Å; I62-R66 VanDerWaalsContact O-CG 3.23Å; I62-R66 WeakPolarHBondContact O-CG 3.29Å; I62-R66 PolarHBondContact O-N 3.09Å; I62-R66 VanDerWaalsContact O-N 3.11Å
63L97.6Very high95.5Very high0 Ų072 Ų720%034%0.338CS..Hα-helixtrans-67.2-39.6177.3-67.2-178.3000112.2L33 M48 G59 K60 E61 R66 F67 L96L33-L63 HydrophobicContact CD1-CD1 3.85Å; L33-L63 HydrophobicContact CD1-CD2 4.15Å; L33-L63 HydrophobicContact CD1-CG 3.76Å; L33-L63 HydrophobicContact CG-CD2 4.2Å; L33-L63 HydrophobicContact CG-CG 4.36Å; M48-L63 HydrophobicContact CE-CD1 4.06Å; M48-L63 HydrophobicContact SD-CD1 4.3Å; G59-L63 PolarHBondContact O-N 3.45Å; K60-L63 PolarHBondContact O-N 3.43Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 2.95Å; L63-R66 PolarHBondContact O-N 3.31Å; L63-F67 HydrophobicContact CD2-CD2 4.09Å; L63-F67 HydrophobicContact CD2-CE2 3.96Å; L63-F67 WeakPolarHBondContact O-CB 3.17Å; L63-F67 PolarHBondContact O-N 2.87Å; L63-L96 HydrophobicContact CB-CD1 3.72Å; L63-L96 HydrophobicContact CD1-CD1 3.99Å; L63-L96 HydrophobicContact CD1-CD2 4.12Å
64L97.2Very high95.1Very high9 Ų976 Ų765%0.04735%0.352CS..Hα-helixtrans-68-35.2178-67.8172.6000112.5K60 E61 G68 V91 T93 L96K60-L64 HydrophobicContact CG-CD1 4.08Å; K60-L64 WeakPolarHBondContact O-CG 3.44Å; K60-L64 PolarHBondContact O-N 3.2Å; E61-L64 PolarHBondContact O-N 3.14Å; E61-L64 VanDerWaalsContact O-N 3.15Å; L64-G68 WeakPolarHBondContact O-CA 3.31Å; L64-G68 PolarHBondContact O-N 2.75Å; L64-V91 HydrophobicContact CD2-CG1 4.22Å; L64-T93 HydrophobicContact CD1-CG2 4.18Å; L64-L96 HydrophobicContact CD2-CD1 4.19Å; L64-L96 HydrophobicContact CG-CD1 4.23Å
65D96.3Very high94.8Very high91 Ų9169.7 Ų69.749%0.48732%0.321SS..Hα-helixtrans-69.6-37.3174.1-82.55.3000112.2E61 R70 S71E61-D65 PolarHBondContact O-N 2.96Å; D65-R70 IonicContact OD1-CZ 2.9Å; D65-R70 VanDerWaalsContact OD1-CZ 3.26Å; D65-R70 IonicContact OD1-NE 3.87Å; D65-R70 PolarHBondContact OD1-NE 3.11Å; D65-R70 IonicContact OD1-NH2 4Å; D65-R70 PolarHBondContact OD1-NH2 2.9Å; D65-S71 WeakPolarHBondContact O-CB 3.28Å
66R95.8Very high94.6Very high84 Ų8469.4 Ų69.432%0.31732%0.317SS..Hα-helixtrans-75.2-38.9178.9-73169.860.9-178.60.2113.1E34 I62 L63 S71E34-R66 VanDerWaalsContact CD-NH1 3.32Å; E34-R66 IonicContact OE1-CZ 2.91Å; E34-R66 IonicContact OE1-NH1 3.75Å; E34-R66 PolarHBondContact OE1-NH1 3.26Å; E34-R66 IonicContact OE1-NH2 2.9Å; E34-R66 IonicContact OE2-CZ 3.33Å; E34-R66 IonicContact OE2-NH1 3.86Å; E34-R66 PolarHBondContact OE2-NH1 3.15Å; E34-R66 IonicContact OE2-NH2 2.9Å; E34-R66 PolarHBondContact OE2-NH2 2.76Å; I62-R66 WeakPolarHBondContact O-CB 3.48Å; I62-R66 WeakPolarHBondContact O-CD 3.48Å; I62-R66 VanDerWaalsContact O-CG 3.23Å; I62-R66 WeakPolarHBondContact O-CG 3.29Å; I62-R66 PolarHBondContact O-N 3.09Å; I62-R66 VanDerWaalsContact O-N 3.11Å; L63-R66 PolarHBondContact O-N 3.31Å; R66-S71 VanDerWaalsContact O-CB 3.27Å; R66-S71 WeakPolarHBondContact O-CB 3.48Å
67F97.4Very high94.4Very high13 Ų1375.8 Ų75.86%0.05735%0.345CS..Hα-helixtrans-130.7-7.8-163.9-54-50000115R41 L63 W75 V91R41-F67 HydrophobicContact CG-CB 4.01Å; R41-F67 HydrophobicContact CG-CD1 4.33Å; R41-F67 HydrophobicContact CG-CD2 4.31Å; R41-F67 HydrophobicContact CG-CG 3.99Å; L63-F67 HydrophobicContact CD2-CD2 4.09Å; L63-F67 HydrophobicContact CD2-CE2 3.96Å; L63-F67 WeakPolarHBondContact O-CB 3.17Å; L63-F67 PolarHBondContact O-N 2.87Å; F67-W75 HydrophobicContact CB-CB 4.34Å; F67-W75 VanDerWaalsContact O-CB 3.3Å; F67-W75 WeakPolarHBondContact O-CB 3.27Å; F67-V91 HydrophobicContact CB-CB 4.1Å; F67-V91 HydrophobicContact CB-CG2 3.68Å; F67-V91 PolarHBondContact O-N 3.26Å
68G96.5Very high94.2Very high2 Ų271.2 Ų71.22%0.02133%0.326CS..SBendtrans-86.2-172.517600000113.3L64 R70 S71 V91L64-G68 WeakPolarHBondContact O-CA 3.31Å; L64-G68 PolarHBondContact O-N 2.75Å; G68-R70 PolarHBondContact O-N 3.5Å; G68-R70 VanDerWaalsContact O-N 3.12Å; G68-S71 VanDerWaalsContact O-CB 3.27Å; G68-S71 WeakPolarHBondContact O-CB 3.41Å; G68-S71 PolarHBondContact O-N 3.14Å; G68-S71 PolarHBondContact O-OG 3.31Å; G68-V91 VanDerWaalsContact CA-O 3.23Å; G68-V91 WeakPolarHBondContact CA-O 3.33Å
69D91.8Very high93.9Very high132 Ų13270.3 Ų70.371%0.70633%0.327SS*.G310 helixtrans-57.5-31.8-174.4-63.9-48.4000113S71 V90D69-S71 PolarHBondContact O-N 3.28Å; D69-V90 WeakPolarHBondContact OD1-CG2 3.34Å
70R89.4Confident93.6Very high155 Ų15570.4 Ų70.459%0.58533%0.328SS*.G310 helixtrans-65.9-14.7178.5-61.7-166.7-70.3-121.23.9113.4E61 D65 G68 Q72E61-R70 IonicContact OE2-NH2 3.79Å; E61-R70 PolarHBondContact OE2-NH2 2.72Å; D65-R70 IonicContact OD1-CZ 2.9Å; D65-R70 VanDerWaalsContact OD1-CZ 3.26Å; D65-R70 IonicContact OD1-NE 3.87Å; D65-R70 PolarHBondContact OD1-NE 3.11Å; D65-R70 IonicContact OD1-NH2 4Å; D65-R70 PolarHBondContact OD1-NH2 2.9Å; G68-R70 PolarHBondContact O-N 3.5Å; G68-R70 VanDerWaalsContact O-N 3.12Å; R70-Q72 PolarHBondContact O-N 3.29Å
71S90.4Very high93.3Very high8 Ų870.4 Ų70.46%0.05634%0.336CS..G310 helixtrans-76.8-1.4-17297.70000114.7D65 R66 G68 D69 E73 K74 W75D65-S71 WeakPolarHBondContact O-CB 3.28Å; R66-S71 VanDerWaalsContact O-CB 3.27Å; R66-S71 WeakPolarHBondContact O-CB 3.48Å; G68-S71 VanDerWaalsContact O-CB 3.27Å; G68-S71 WeakPolarHBondContact O-CB 3.41Å; G68-S71 PolarHBondContact O-N 3.14Å; G68-S71 PolarHBondContact O-OG 3.31Å; D69-S71 PolarHBondContact O-N 3.28Å; S71-E73 PolarHBondContact O-N 3.12Å; S71-K74 VanDerWaalsContact O-CB 3.24Å; S71-K74 WeakPolarHBondContact O-CB 3.47Å; S71-K74 VanDerWaalsContact O-CG 3.3Å; S71-K74 WeakPolarHBondContact O-CG 3.27Å; S71-K74 PolarHBondContact O-N 3.42Å; S71-K74 VanDerWaalsContact O-N 3.11Å; S71-W75 WeakPolarHBondContact OG-CB 3.46Å; S71-W75 PolarHBondContact OG-N 2.77Å
72Q86.8Confident92.9Very high165 Ų16571 Ų7177%0.77135%0.349SS*.THydrogen-bonded Turntrans50.156.5-179.5-59.7179-7.200113.4R70 K74R70-Q72 PolarHBondContact O-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.23Å
73E86.3Confident92.8Very high116 Ų11670.5 Ų70.554%0.54236%0.36SS..THydrogen-bonded Turntrans63.3-6.4-176.9-56.8-146.9147.700117.4S71 W75 R76S71-E73 PolarHBondContact O-N 3.12Å; E73-W75 PolarHBondContact O-N 2.9Å; E73-R76 WeakPolarHBondContact O-CB 3.45Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 IonicContact OE1-CZ 3.63Å; E73-R76 IonicContact OE1-NH1 3.45Å; E73-R76 PolarHBondContact OE1-NH1 3.09Å; E73-R76 IonicContact OE1-NH2 2.7Å; E73-R76 IonicContact OE2-CZ 3.59Å; E73-R76 IonicContact OE2-NH1 2.72Å; E73-R76 PolarHBondContact OE2-NH1 3.48Å
74K89.6Confident92.7Very high152 Ų15270.6 Ų70.666%0.66136%0.361SS*.G310 helixtrans-56.6-25.6174.3-64.8176.2-177172.30112.5S71 Q72 R76 K77S71-K74 VanDerWaalsContact O-CB 3.24Å; S71-K74 WeakPolarHBondContact O-CB 3.47Å; S71-K74 VanDerWaalsContact O-CG 3.3Å; S71-K74 WeakPolarHBondContact O-CG 3.27Å; S71-K74 PolarHBondContact O-N 3.42Å; S71-K74 VanDerWaalsContact O-N 3.11Å; Q72-K74 PolarHBondContact O-N 3.23Å; K74-R76 PolarHBondContact O-N 3.17Å; K74-K77 PolarHBondContact O-N 2.9Å; K74-K77 VanDerWaalsContact O-N 3.1Å
75W93Very high92.6Very high30 Ų3072.1 Ų72.111%0.11437%0.368CS..G310 helixtrans-55.5-18.9173.769-106.4000114R41 F67 S71 E73 L88 E89 V90R41-W75 VanDerWaalsContact CZ-O 3.22Å; R41-W75 PolarHBondContact NE-O 3.26Å; R41-W75 VanDerWaalsContact NE-O 3.13Å; R41-W75 PolarHBondContact NH2-O 3.4Å; F67-W75 HydrophobicContact CB-CB 4.34Å; F67-W75 VanDerWaalsContact O-CB 3.3Å; F67-W75 WeakPolarHBondContact O-CB 3.27Å; S71-W75 WeakPolarHBondContact OG-CB 3.46Å; S71-W75 PolarHBondContact OG-N 2.77Å; E73-W75 PolarHBondContact O-N 2.9Å; W75-L88 VanDerWaalsContact CZ3-O 3.27Å; W75-L88 WeakPolarHBondContact CZ3-O 3.35Å; W75-E89 VanDerWaalsContact CZ3-C 3.41Å; W75-V90 HydrophobicContact CD2-CB 4.08Å; W75-V90 HydrophobicContact CG-CB 4.28Å; W75-V90 HydrophobicContact CG-CG2 4.42Å; W75-V90 HydrophobicContact CZ2-CB 4.29Å
76R92.6Very high92.6Very high106 Ų10672.4 Ų72.440%0.438%0.375SS..G310 helixtrans-76.1-26.5177.9-75.7-179.8174.7151.13.5113.5E73 K74 E85E73-R76 WeakPolarHBondContact O-CB 3.45Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 IonicContact OE1-CZ 3.63Å; E73-R76 IonicContact OE1-NH1 3.45Å; E73-R76 PolarHBondContact OE1-NH1 3.09Å; E73-R76 IonicContact OE1-NH2 2.7Å; E73-R76 IonicContact OE2-CZ 3.59Å; E73-R76 IonicContact OE2-NH1 2.72Å; E73-R76 PolarHBondContact OE2-NH1 3.48Å; K74-R76 PolarHBondContact O-N 3.17Å; R76-E85 VanDerWaalsContact O-CG 3.28Å; R76-E85 WeakPolarHBondContact O-CG 3.44Å
77K93.6Very high92.7Very high134 Ų13471.4 Ų71.458%0.58337%0.373SS*.  trans-82135-170.1-65.2-53.3-175.4-174.30112.4R41 K74 E85R41-K77 PolarHBondContact NH2-O 3.04Å; K74-K77 PolarHBondContact O-N 2.9Å; K74-K77 VanDerWaalsContact O-N 3.1Å; K77-E85 WeakPolarHBondContact CD-OE1 3.47Å; K77-E85 IonicContact NZ-OE1 3.76Å; K77-E85 PolarHBondContact NZ-OE1 3.13Å; K77-E85 IonicContact NZ-OE2 3.6Å; K77-E85 PolarHBondContact NZ-OE2 3.02Å
78S93.7Very high92.7Very high11 Ų1171.1 Ų71.18%0.07737%0.372CS..  trans-128.5132.5176.4-1780000111.1A80 G81S78-A80 PolarHBondContact O-N 3.15Å; S78-A80 VanDerWaalsContact O-N 3.13Å; S78-A80 PolarHBondContact OG-N 2.95Å; S78-G81 PolarHBondContact O-N 2.97Å; S78-G81 VanDerWaalsContact O-N 3.08Å
79P92.7Very high92.7Very high89 Ų8975.3 Ų75.358%0.57839%0.391SS*.THydrogen-bonded Turntrans-60.6-17.8171.3-17.728.7000113.4G81 W262P79-G81 PolarHBondContact O-N 2.83Å; P79-W262 HydrophobicContact CB-CE3 4.33Å; P79-W262 HydrophobicContact CB-CH2 3.6Å; P79-W262 HydrophobicContact CB-CZ2 3.99Å; P79-W262 HydrophobicContact CB-CZ3 3.76Å; P79-W262 HydrophobicContact CG-CD2 4.33Å; P79-W262 HydrophobicContact CG-CE3 4.39Å; P79-W262 HydrophobicContact CG-CH2 4.04Å; P79-W262 HydrophobicContact CG-CZ2 3.92Å; P79-W262 HydrophobicContact CG-CZ3 4.24Å
80A92.1Very high92.9Very high3 Ų370.3 Ų70.33%0.02537%0.365CS..THydrogen-bonded Turntrans-69.7-16.5175.600000113.5R12 S78 V84 W262R12-A80 PolarHBondContact NE-O 3.02Å; R12-A80 VanDerWaalsContact NE-O 3.14Å; S78-A80 PolarHBondContact O-N 3.15Å; S78-A80 VanDerWaalsContact O-N 3.13Å; S78-A80 PolarHBondContact OG-N 2.95Å; A80-V84 HydrophobicContact CB-CG2 4.02Å; A80-W262 HydrophobicContact CB-CH2 4.1Å; A80-W262 HydrophobicContact CB-CZ2 4.36Å
81G90.6Very high93.3Very high28 Ų2863 Ų6329%0.28934%0.338SS..  trans113.1168.517500000114.1S78 P79 G83 V84S78-G81 PolarHBondContact O-N 2.97Å; S78-G81 VanDerWaalsContact O-N 3.08Å; P79-G81 PolarHBondContact O-N 2.83Å; G81-G83 PolarHBondContact O-N 2.91Å; G81-G83 VanDerWaalsContact O-N 3.11Å; G81-V84 WeakPolarHBondContact O-CG2 3.34Å; G81-V84 PolarHBondContact O-N 2.9Å
82S91.6Very high93.6Very high94 Ų9468.1 Ų68.166%0.65736%0.359SS*.THydrogen-bonded Turntrans-61.2-22.7-174.654.80000114.6V84 E85 P86S82-V84 VanDerWaalsContact C-N 3.25Å; S82-V84 PolarHBondContact O-N 2.9Å; S82-E85 PolarHBondContact O-N 3.32Å; S82-P86 WeakPolarHBondContact O-CD 3.2Å
83G94Very high94.1Very high58 Ų5864.3 Ų64.360%0.59835%0.347SS*.THydrogen-bonded Turntrans-65.2-22.818000000114.8G81G81-G83 PolarHBondContact O-N 2.91Å; G81-G83 VanDerWaalsContact O-N 3.11Å
84V95.5Very high94.6Very high2 Ų263 Ų631%0.01235%0.351CS..THydrogen-bonded Turntrans-94.1-20.9176.9-58.10000113.2A80 G81 S82 P86 F87 L88A80-V84 HydrophobicContact CB-CG2 4.02Å; G81-V84 WeakPolarHBondContact O-CG2 3.34Å; G81-V84 PolarHBondContact O-N 2.9Å; S82-V84 VanDerWaalsContact C-N 3.25Å; S82-V84 PolarHBondContact O-N 2.9Å; V84-P86 VanDerWaalsContact C-N 3.32Å; V84-F87 PolarHBondContact O-N 3.02Å; V84-L88 HydrophobicContact CG2-CD1 4.34Å
85E95.6Very high95.1Very high42 Ų4256.7 Ų56.720%0.19632%0.324CS..G310 helixtrans-53.7-37.1-175.6-59.2-173.7172.200113.8R76 K77 S82 F87 L88R76-E85 VanDerWaalsContact O-CG 3.28Å; R76-E85 WeakPolarHBondContact O-CG 3.44Å; K77-E85 WeakPolarHBondContact CD-OE1 3.47Å; K77-E85 IonicContact NZ-OE1 3.76Å; K77-E85 PolarHBondContact NZ-OE1 3.13Å; K77-E85 IonicContact NZ-OE2 3.6Å; K77-E85 PolarHBondContact NZ-OE2 3.02Å; S82-E85 PolarHBondContact O-N 3.32Å; E85-F87 PolarHBondContact O-N 3.39Å; E85-F87 VanDerWaalsContact O-N 3.1Å; E85-L88 PolarHBondContact O-N 3.05Å; E85-L88 VanDerWaalsContact O-N 3.15Å
86P96.7Very high95.3Very high96 Ų9655.3 Ų55.362%0.62332%0.319SS*.G310 helixtrans-62.8-14.8176.1-25.435.9000115.4S82 V84S82-P86 WeakPolarHBondContact O-CD 3.2Å; V84-P86 VanDerWaalsContact C-N 3.32Å
87F96.8Very high95.6Very high64 Ų6452.3 Ų52.328%0.28131%0.31SS..G310 helixtrans-104.56.2-178.8-57.1-85.9000112.7P14 R16 V84 E85P14-F87 HydrophobicContact CB-CD1 4.33Å; P14-F87 HydrophobicContact CB-CD2 3.83Å; P14-F87 HydrophobicContact CB-CE1 3.85Å; P14-F87 HydrophobicContact CB-CE2 3.28Å; P14-F87 HydrophobicContact CB-CG 4.33Å; P14-F87 HydrophobicContact CB-CZ 3.3Å; R16-F87 HydrophobicContact CG-CB 4.35Å; R16-F87 HydrophobicContact CG-CD1 4.08Å; V84-F87 PolarHBondContact O-N 3.02Å; E85-F87 PolarHBondContact O-N 3.39Å; E85-F87 VanDerWaalsContact O-N 3.1Å
88L96.9Very high95.9Very high7 Ų746.6 Ų46.64%0.03729%0.286CS..  trans-104.9146.4178.8-52.7178.3000108.9R41 R42 W75 V84 E85R41-L88 HydrophobicContact CB-CB 4.47Å; R41-L88 HydrophobicContact CB-CD2 4.06Å; R41-L88 VanDerWaalsContact NH2-CD1 3.31Å; R41-L88 CarbonylContact O-C 3.47Å; R41-L88 VanDerWaalsContact O-CA 3.29Å; R41-L88 WeakPolarHBondContact O-CA 3.46Å; R42-L88 HydrophobicContact CG-CD2 3.89Å; W75-L88 VanDerWaalsContact CZ3-O 3.27Å; W75-L88 WeakPolarHBondContact CZ3-O 3.35Å; V84-L88 HydrophobicContact CG2-CD1 4.34Å; E85-L88 PolarHBondContact O-N 3.05Å; E85-L88 VanDerWaalsContact O-N 3.15Å
89E96.2Very high96.1Very high90 Ų9047.2 Ų47.242%0.42129%0.288SS..  trans-136.9164.4176.4-95.2176.3-152.100111.1R16 R41 W75 V91R16-E89 VanDerWaalsContact CZ-CD 3.45Å; R16-E89 IonicContact CZ-OE1 2.68Å; R16-E89 IonicContact CZ-OE2 3.42Å; R16-E89 IonicContact NH1-OE1 2.75Å; R16-E89 PolarHBondContact NH1-OE1 3.41Å; R16-E89 IonicContact NH1-OE2 3.26Å; R16-E89 IonicContact NH2-OE1 2.9Å; R16-E89 PolarHBondContact NH2-OE1 3.03Å; R16-E89 VanDerWaalsContact NH2-OE1 3.16Å; R16-E89 IonicContact NH2-OE2 3.39Å; R16-E89 PolarHBondContact NH2-OE2 3.22Å; R41-E89 PolarHBondContact O-N 3.26Å; W75-E89 VanDerWaalsContact CZ3-C 3.41Å; E89-V91 PolarHBondContact O-N 3.25Å
90V97.3Very high96.4Very high27 Ų2746.7 Ų46.716%0.16428%0.277CS..PPolyproline II helixtrans-61.5132.4172.866.60000110D69 W75D69-V90 WeakPolarHBondContact OD1-CG2 3.34Å; W75-V90 HydrophobicContact CD2-CB 4.08Å; W75-V90 HydrophobicContact CG-CB 4.28Å; W75-V90 HydrophobicContact CG-CG2 4.42Å; W75-V90 HydrophobicContact CZ2-CB 4.29Å
91V97.8Very high96.7Very high1 Ų146.8 Ų46.81%0.00628%0.278CS..PPolyproline II helixtrans-82.3123.9-179.9176.40000110A40 R41 L64 F67 G68 E89 L96A40-V91 HydrophobicContact CB-CG1 3.85Å; A40-V91 HydrophobicContact CB-CG2 3.87Å; R41-V91 HydrophobicContact CB-CG2 4.31Å; R41-V91 HydrophobicContact CG-CG2 3.54Å; L64-V91 HydrophobicContact CD2-CG1 4.22Å; F67-V91 HydrophobicContact CB-CB 4.1Å; F67-V91 HydrophobicContact CB-CG2 3.68Å; F67-V91 PolarHBondContact O-N 3.26Å; G68-V91 VanDerWaalsContact CA-O 3.23Å; G68-V91 WeakPolarHBondContact CA-O 3.33Å; E89-V91 PolarHBondContact O-N 3.25Å; V91-L96 HydrophobicContact CG1-CD1 3.84Å; V91-L96 HydrophobicContact CG1-CG 3.96Å
92K97.1Very high97.1Very high116 Ų11647.3 Ų47.350%0.50427%0.274SS..PPolyproline II helixtrans-90.1147.7176-60.1174.7-174.7171.60110.9S94 Q95K92-S94 PolarHBondContact O-N 3.03Å; K92-S94 VanDerWaalsContact O-N 3.09Å; K92-Q95 HydrophobicContact CB-CG 4.32Å; K92-Q95 WeakPolarHBondContact O-CB 3.49Å; K92-Q95 PolarHBondContact O-N 2.76Å
93T97.3Very high97.4Very high84 Ų8443.4 Ų43.452%0.51525%0.245SC..G310 helixtrans-54.3-31.7175.6-54.70000113.4K60 L64 Q95 L96K60-T93 PolarHBondContact NZ-O 3.1Å; L64-T93 HydrophobicContact CD1-CG2 4.18Å; T93-Q95 VanDerWaalsContact C-N 3.3Å; T93-Q95 PolarHBondContact O-N 2.89Å; T93-L96 PolarHBondContact O-N 3.49Å
94S97Very high97.6Very high90 Ų9041.1 Ų41.163%0.62922%0.221SC*.G310 helixtrans-73-18177.955.10000114.1K92K92-S94 PolarHBondContact O-N 3.03Å; K92-S94 VanDerWaalsContact O-N 3.09Å
95Q98.1Very high97.7Very high19 Ų1941.9 Ų41.99%0.08923%0.226CC..G310 helixtrans-79.6-22.2176.3-68.5177.1-94.400112.5A40 C44 I45 V46 K92 T93A40-Q95 PolarHBondContact O-NE2 3.47Å; C44-Q95 PolarHBondContact O-NE2 2.89Å; I45-Q95 CarbonylContact C-O 3.55Å; V46-Q95 PolarHBondContact N-O 2.77Å; K92-Q95 HydrophobicContact CB-CG 4.32Å; K92-Q95 WeakPolarHBondContact O-CB 3.49Å; K92-Q95 PolarHBondContact O-N 2.76Å; T93-Q95 VanDerWaalsContact C-N 3.3Å; T93-Q95 PolarHBondContact O-N 2.89Å
96L98.6Very high97.9Very high1 Ų140.9 Ų40.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-106.2106-177.7-62177.7000109.8A40 V46 M48 K60 L63 L64 V91 T93A40-L96 HydrophobicContact CB-CD2 3.73Å; V46-L96 HydrophobicContact CB-CD2 4.22Å; M48-L96 HydrophobicContact SD-CB 4.2Å; M48-L96 HydrophobicContact SD-CD2 4.11Å; K60-L96 HydrophobicContact CD-CB 4.02Å; K60-L96 WeakPolarHBondContact CD-O 3.28Å; K60-L96 VanDerWaalsContact CE-O 3.26Å; K60-L96 WeakPolarHBondContact CE-O 3.33Å; K60-L96 HydrophobicContact CG-CB 3.94Å; K60-L96 HydrophobicContact CG-CD1 4.11Å; K60-L96 PolarHBondContact NZ-O 2.75Å; L63-L96 HydrophobicContact CB-CD1 3.72Å; L63-L96 HydrophobicContact CD1-CD1 3.99Å; L63-L96 HydrophobicContact CD1-CD2 4.12Å; L64-L96 HydrophobicContact CD2-CD1 4.19Å; L64-L96 HydrophobicContact CG-CD1 4.23Å; V91-L96 HydrophobicContact CG1-CD1 3.84Å; V91-L96 HydrophobicContact CG1-CG 3.96Å; T93-L96 PolarHBondContact O-N 3.49Å
97I98.7Very high98Very high42 Ų4243.1 Ų43.122%0.21522%0.224CC..EExtended strand (participates in β ladder)trans-109.1121.3-178.7-55.4177.6000107.8I45 V46 I47 M48 E99 Y120I45-I97 HydrophobicContact CG2-CD1 3.64Å; I45-I97 HydrophobicContact CG2-CG1 4.19Å; V46-I97 PolarHBondContact O-N 3.19Å; I47-I97 CarbonylContact C-O 3.5Å; I47-I97 VanDerWaalsContact CA-O 3.32Å; I47-I97 WeakPolarHBondContact CA-O 3.42Å; I47-I97 HydrophobicContact CG1-CB 4.36Å; M48-I97 PolarHBondContact N-O 3.49Å; I97-E99 HydrophobicContact CG2-CG 4.17Å; I97-Y120 WeakPolarHBondContact CD1-OH 3.48Å
98V98.8Very high98.1Very high14 Ų1440.8 Ų40.89%0.08522%0.216CC..EExtended strand (participates in β ladder)trans-95.2127.1179177.20000108.3M48 L53 F57 K60M48-V98 HydrophobicContact CB-CG2 4.41Å; M48-V98 HydrophobicContact SD-CG2 4.42Å; L53-V98 HydrophobicContact CD2-CG1 3.95Å; F57-V98 HydrophobicContact CD1-CB 4.11Å; F57-V98 HydrophobicContact CD1-CG1 4.44Å; F57-V98 HydrophobicContact CD1-CG2 3.98Å; F57-V98 HydrophobicContact CD2-CG1 4.4Å; F57-V98 HydrophobicContact CE1-CB 3.84Å; F57-V98 HydrophobicContact CE1-CG1 4.34Å; F57-V98 HydrophobicContact CE1-CG2 4.15Å; F57-V98 HydrophobicContact CE2-CG1 4.28Å; F57-V98 HydrophobicContact CG-CG1 4.46Å; F57-V98 HydrophobicContact CZ-CB 4.1Å; F57-V98 HydrophobicContact CZ-CG1 4.24Å; K60-V98 HydrophobicContact CB-CG2 3.96Å; K60-V98 HydrophobicContact CD-CG2 4Å
99E98.7Very high98.2Very high24 Ų2440.4 Ų40.411%0.11221%0.214CC..EExtended strand (participates in β ladder)trans-133.3145.3-179.6-76.6-64.8172.200111.4I47 M48 A49 C50 I97 F112 K115I47-E99 HydrophobicContact CG2-CB 3.91Å; I47-E99 HydrophobicContact CG2-CG 3.86Å; M48-E99 PolarHBondContact O-N 2.92Å; A49-E99 WeakPolarHBondContact CA-O 3.38Å; C50-E99 PolarHBondContact N-O 3.09Å; I97-E99 HydrophobicContact CG2-CG 4.17Å; E99-F112 HydrophobicContact CB-CD2 4.21Å; E99-F112 HydrophobicContact CB-CE2 3.67Å; E99-F112 HydrophobicContact CG-CE2 4.48Å; E99-K115 WeakPolarHBondContact OE1-CE 3.22Å; E99-K115 IonicContact OE1-NZ 2.75Å; E99-K115 PolarHBondContact OE1-NZ 3.46Å; E99-K115 WeakPolarHBondContact OE2-CE 3.47Å; E99-K115 IonicContact OE2-NZ 3.61Å; E99-K115 PolarHBondContact OE2-NZ 3.12Å
100H98.7Very high98.3Very high78 Ų7840.7 Ų40.736%0.36121%0.211SC..EExtended strand (participates in β ladder)trans-76.6126.4179.5177.7-93.5000110.7C50 R51 L53 S108 F112C50-H100 WeakPolarHBondContact O-CA 3.48Å; R51-H100 PolarHBondContact O-CD2 3.07Å; R51-H100 VanDerWaalsContact O-CD2 3.24Å; R51-H100 PolarHBondContact O-NE2 2.63Å; L53-H100 HydrophobicContact CD1-CB 4.19Å; L53-H100 HydrophobicContact CD2-CB 3.91Å; L53-H100 HydrophobicContact CG-CB 4.12Å; H100-S108 PolarHBondContact CE1-OG 2.87Å; H100-F112 VanDerWaalsContact O-CD2 3.31Å; H100-F112 WeakPolarHBondContact O-CD2 3.42Å
101L98.8Very high98.4Very high6 Ų645.5 Ų45.53%0.03123%0.231CC..  trans-148119.7171.6173.865.3000109.7T25 A49 C50 R51 L103 I109 F112 L158T25-L101 HydrophobicContact CG2-CD2 3.73Å; A49-L101 HydrophobicContact CB-CB 3.91Å; A49-L101 HydrophobicContact CB-CD2 3.69Å; A49-L101 HydrophobicContact CB-CG 4.47Å; C50-L101 CarbonylContact C-O 3.55Å; C50-L101 PolarHBondContact O-N 2.82Å; R51-L101 WeakPolarHBondContact CA-O 3.43Å; R51-L101 PolarHBondContact N-O 2.78Å; R51-L101 VanDerWaalsContact N-O 3.09Å; L101-L103 HydrophobicContact CD1-CD2 4.35Å; L101-L103 HydrophobicContact CD2-CD2 4.13Å; L101-L103 HydrophobicContact CD2-CG 4.38Å; L101-L103 HydrophobicContact CG-CD2 4.33Å; L101-L103 HydrophobicContact CG-CG 4.41Å; L101-I109 HydrophobicContact CD1-CB 4.48Å; L101-I109 HydrophobicContact CD1-CG1 3.99Å; L101-F112 HydrophobicContact CB-CD2 3.99Å; L101-F112 HydrophobicContact CB-CE2 4.33Å; L101-F112 HydrophobicContact CB-CG 4.23Å; L101-F112 HydrophobicContact CD1-CB 3.88Å; L101-F112 HydrophobicContact CD1-CD1 4.13Å; L101-F112 HydrophobicContact CD1-CG 3.94Å; L101-F112 HydrophobicContact CD2-CD1 4.48Å; L101-F112 HydrophobicContact CD2-CE1 4.46Å; L101-L158 HydrophobicContact CD2-CD2 3.7Å
102D98.5Very high98.4Very high39 Ų3945.5 Ų45.521%0.20923%0.231CC..  trans-109109.2168.3-166.6-8.9000110.1R51 A104 C105 S108R51-D102 WeakPolarHBondContact CD-OD2 3.19Å; R51-D102 HydrophobicContact CG-CB 3.93Å; D102-A104 PolarHBondContact O-N 2.99Å; D102-A104 WeakPolarHBondContact OD1-CB 3.48Å; D102-A104 PolarHBondContact OD1-N 3.2Å; D102-C105 HydrophobicContact CB-CB 4.37Å; D102-C105 PolarHBondContact O-N 2.81Å; D102-S108 PolarHBondContact N-OG 2.81Å
103L98.5Very high98.5Very high11 Ų1140 Ų406%0.05821%0.208CC..THydrogen-bonded Turntrans-71.1-11.9177.6-70174.7000113.1L101 C105 I109 A130 V150 L158L101-L103 HydrophobicContact CD1-CD2 4.35Å; L101-L103 HydrophobicContact CD2-CD2 4.13Å; L101-L103 HydrophobicContact CD2-CG 4.38Å; L101-L103 HydrophobicContact CG-CD2 4.33Å; L101-L103 HydrophobicContact CG-CG 4.41Å; L103-C105 VanDerWaalsContact C-N 3.26Å; L103-I109 HydrophobicContact CD2-CD1 4.27Å; L103-I109 HydrophobicContact CD2-CG1 4.17Å; L103-A130 HydrophobicContact CD1-CB 3.59Å; L103-V150 HydrophobicContact CB-CG1 4.16Å; L103-V150 HydrophobicContact CD1-CG1 4.49Å; L103-L158 HydrophobicContact CD2-CD2 4.28Å
104A98Very high98.5Very high10 Ų1043.5 Ų43.58%0.08322%0.216CC..THydrogen-bonded Turntrans-87.512.5172.200000112.9D102 T140 H141 L146 V150D102-A104 PolarHBondContact O-N 2.99Å; D102-A104 WeakPolarHBondContact OD1-CB 3.48Å; D102-A104 PolarHBondContact OD1-N 3.2Å; A104-T140 HydrophobicContact CB-CG2 4.07Å; A104-T140 VanDerWaalsContact O-CB 3.3Å; A104-T140 WeakPolarHBondContact O-CB 3.39Å; A104-H141 WeakPolarHBondContact O-CB 3.13Å; A104-H141 PolarHBondContact O-N 3.29Å; A104-L146 HydrophobicContact CB-CD1 4.08Å; A104-V150 HydrophobicContact CB-CG2 3.79Å
105C98.7Very high98.6Very high19 Ų1942.5 Ų42.513%0.12820%0.2CC..  trans-142.8112.5178.1175.40000111.1D102 L103 E107 S108 I109 H141 D142D102-C105 HydrophobicContact CB-CB 4.37Å; D102-C105 PolarHBondContact O-N 2.81Å; L103-C105 VanDerWaalsContact C-N 3.26Å; C105-E107 VanDerWaalsContact C-N 3.28Å; C105-E107 PolarHBondContact O-N 3.11Å; C105-S108 WeakPolarHBondContact O-CB 3.39Å; C105-S108 PolarHBondContact O-N 3.18Å; C105-S108 VanDerWaalsContact O-N 3.13Å; C105-S108 PolarHBondContact SG-N 2.87Å; C105-S108 VanDerWaalsContact SG-N 3.41Å; C105-I109 WeakPolarHBondContact O-CG1 3.23Å; C105-I109 PolarHBondContact O-N 2.9Å; C105-H141 HydrophobicContact CB-CB 4.02Å; C105-D142 WeakPolarHBondContact CA-OD2 3.28Å
106L98.8Very high98.6Very high20 Ų2041.6 Ų41.611%0.10520%0.196CC..Hα-helixtrans-61.5-35.8-179-61-170.9000112.3I109 R110 D142 F144 L157 V312L106-I109 HydrophobicContact CD2-CD1 4.14Å; L106-I109 PolarHBondContact O-N 2.81Å; L106-R110 VanDerWaalsContact O-CG 3.32Å; L106-R110 WeakPolarHBondContact O-CG 3.36Å; L106-R110 PolarHBondContact O-N 2.98Å; L106-D142 HydrophobicContact CD1-CB 4.28Å; L106-D142 HydrophobicContact CG-CB 4.09Å; L106-D142 VanDerWaalsContact CG-CG 3.47Å; L106-D142 WeakPolarHBondContact CG-OD2 3.29Å; L106-D142 PolarHBondContact N-OD2 3.33Å; L106-F144 HydrophobicContact CD1-CE2 3.84Å; L106-F144 HydrophobicContact CD1-CZ 4.25Å; L106-F144 HydrophobicContact CD2-CE2 4.21Å; L106-F144 HydrophobicContact CG-CE2 4.11Å; L106-L157 HydrophobicContact CB-CD2 3.99Å; L106-L157 HydrophobicContact CD2-CD2 3.7Å; L106-L157 HydrophobicContact CG-CD2 4.29Å; L106-V312 HydrophobicContact CD1-CB 4.24Å; L106-V312 HydrophobicContact CD2-CB 4.24Å; L106-V312 HydrophobicContact CD2-CG1 4.01Å
107E98.7Very high98.6Very high144 Ų14445.3 Ų45.367%0.67321%0.213SC*.Hα-helixtrans-63.8-43175-174.5176.5-173.300111.6C105 I109 R110 H111C105-E107 VanDerWaalsContact C-N 3.28Å; C105-E107 PolarHBondContact O-N 3.11Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.34Å; E107-R110 PolarHBondContact O-N 3.41Å; E107-H111 WeakPolarHBondContact O-CB 3.4Å; E107-H111 PolarHBondContact O-N 2.94Å
108S98.8Very high98.5Very high14 Ų1451.5 Ų51.510%0.09824%0.241CC..Hα-helixtrans-58.7-44.6175.2-174.70000111.4H100 D102 C105 R110 H111 F112H100-S108 PolarHBondContact CE1-OG 2.87Å; D102-S108 PolarHBondContact N-OG 2.81Å; C105-S108 WeakPolarHBondContact O-CB 3.39Å; C105-S108 PolarHBondContact O-N 3.18Å; C105-S108 VanDerWaalsContact O-N 3.13Å; C105-S108 PolarHBondContact SG-N 2.87Å; C105-S108 VanDerWaalsContact SG-N 3.41Å; S108-R110 PolarHBondContact O-N 2.97Å; S108-H111 PolarHBondContact O-N 3.28Å; S108-F112 WeakPolarHBondContact O-CB 3.28Å; S108-F112 PolarHBondContact O-N 2.99Å
109I98.9Very high98.5Very high0 Ų055.5 Ų55.50%026%0.258CS..Hα-helixtrans-60.8-46.2176-65.6158.8000111.2L101 L103 C105 L106 E107 F112 A113 L157 L158 L161L101-I109 HydrophobicContact CD1-CB 4.48Å; L101-I109 HydrophobicContact CD1-CG1 3.99Å; L103-I109 HydrophobicContact CD2-CD1 4.27Å; L103-I109 HydrophobicContact CD2-CG1 4.17Å; C105-I109 WeakPolarHBondContact O-CG1 3.23Å; C105-I109 PolarHBondContact O-N 2.9Å; L106-I109 HydrophobicContact CD2-CD1 4.14Å; L106-I109 PolarHBondContact O-N 2.81Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.34Å; I109-F112 PolarHBondContact O-N 2.86Å; I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 2.97Å; I109-L157 HydrophobicContact CB-CD2 4Å; I109-L157 HydrophobicContact CD1-CD2 4.24Å; I109-L157 HydrophobicContact CG2-CB 4.17Å; I109-L157 HydrophobicContact CG2-CD2 3.75Å; I109-L157 HydrophobicContact CG2-CG 3.72Å; I109-L158 HydrophobicContact CG2-CB 3.82Å; I109-L158 HydrophobicContact CG2-CD1 4.21Å; I109-L161 HydrophobicContact CG2-CD1 4.16Å
110R98.7Very high98.5Very high96 Ų9656.9 Ų56.936%0.36226%0.263SS..Hα-helixtrans-64.1-41.6178.9-71.2172.2-172.6-79.64.6111.8L106 E107 S108 K114 L157 L161 V312 G313L106-R110 VanDerWaalsContact O-CG 3.32Å; L106-R110 WeakPolarHBondContact O-CG 3.36Å; L106-R110 PolarHBondContact O-N 2.98Å; E107-R110 PolarHBondContact O-N 3.41Å; S108-R110 PolarHBondContact O-N 2.97Å; R110-K114 WeakPolarHBondContact O-CB 3.49Å; R110-K114 PolarHBondContact O-N 2.89Å; R110-L157 HydrophobicContact CG-CD2 4.25Å; R110-L161 HydrophobicContact CG-CD1 3.94Å; R110-V312 PolarHBondContact NH2-O 3.36Å; R110-G313 PolarHBondContact NH2-O 3.29Å
111H98.7Very high98.4Very high127 Ų12758.7 Ų58.759%0.58828%0.28SS*.Hα-helixtrans-62.8-48.8176.2-176.685.9000111.5E107 S108 A113 K114 K115E107-H111 WeakPolarHBondContact O-CB 3.4Å; E107-H111 PolarHBondContact O-N 2.94Å; S108-H111 PolarHBondContact O-N 3.28Å; H111-A113 PolarHBondContact O-N 3.35Å; H111-K114 PolarHBondContact O-N 2.81Å; H111-K115 WeakPolarHBondContact O-CB 3.48Å; H111-K115 PolarHBondContact O-N 3.2Å
112F98.9Very high98.4Very high2 Ų262.6 Ų62.61%0.00929%0.294CS..Hα-helixtrans-56.6-52.3176.1175.4-92.3000111I23 I47 A49 E99 H100 L101 S108 I109 K114 K115 I116 L158 L162I23-F112 HydrophobicContact CD1-CE1 4.17Å; I23-F112 HydrophobicContact CD1-CZ 4.21Å; I23-F112 HydrophobicContact CG2-CE1 4.41Å; I23-F112 HydrophobicContact CG2-CZ 4.08Å; I47-F112 HydrophobicContact CG2-CE2 4.31Å; I47-F112 HydrophobicContact CG2-CZ 4.23Å; A49-F112 HydrophobicContact CB-CE2 3.89Å; A49-F112 HydrophobicContact CB-CZ 3.86Å; E99-F112 HydrophobicContact CB-CD2 4.21Å; E99-F112 HydrophobicContact CB-CE2 3.67Å; E99-F112 HydrophobicContact CG-CE2 4.48Å; H100-F112 VanDerWaalsContact O-CD2 3.31Å; H100-F112 WeakPolarHBondContact O-CD2 3.42Å; L101-F112 HydrophobicContact CB-CD2 3.99Å; L101-F112 HydrophobicContact CB-CE2 4.33Å; L101-F112 HydrophobicContact CB-CG 4.23Å; L101-F112 HydrophobicContact CD1-CB 3.88Å; L101-F112 HydrophobicContact CD1-CD1 4.13Å; L101-F112 HydrophobicContact CD1-CG 3.94Å; L101-F112 HydrophobicContact CD2-CD1 4.48Å; L101-F112 HydrophobicContact CD2-CE1 4.46Å; S108-F112 WeakPolarHBondContact O-CB 3.28Å; S108-F112 PolarHBondContact O-N 2.99Å; I109-F112 PolarHBondContact O-N 2.86Å; F112-K114 PolarHBondContact O-N 2.82Å; F112-K115 WeakPolarHBondContact O-CB 3.16Å; F112-K115 PolarHBondContact O-N 3Å; F112-K115 VanDerWaalsContact O-N 3.15Å; F112-I116 HydrophobicContact CD1-CG1 4.12Å; F112-I116 HydrophobicContact CD2-CG1 4.45Å; F112-I116 HydrophobicContact CE1-CG1 3.72Å; F112-I116 HydrophobicContact CE2-CD1 4.14Å; F112-I116 HydrophobicContact CE2-CG1 4.1Å; F112-I116 HydrophobicContact CG-CG1 4.47Å; F112-I116 HydrophobicContact CZ-CD1 4.08Å; F112-I116 HydrophobicContact CZ-CG1 3.72Å; F112-I116 WeakPolarHBondContact O-CG1 3.47Å; F112-I116 PolarHBondContact O-N 3.4Å; F112-L158 HydrophobicContact CD1-CD1 3.67Å; F112-L158 HydrophobicContact CE1-CD1 3.93Å; F112-L162 HydrophobicContact CE1-CD1 4.5Å
113A98.6Very high98.4Very high1 Ų160.8 Ų60.81%0.00828%0.284CS..Hα-helixtrans-60-44.9-178.700000112.3I109 H111 K115 I116 Q117 L158 L161 L162I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 2.97Å; H111-A113 PolarHBondContact O-N 3.35Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.12Å; A113-I116 PolarHBondContact O-N 3.17Å; A113-Q117 WeakPolarHBondContact O-CB 3.3Å; A113-Q117 VanDerWaalsContact O-CG 3.27Å; A113-Q117 WeakPolarHBondContact O-CG 3.27Å; A113-Q117 PolarHBondContact O-N 3.23Å; A113-L158 HydrophobicContact CB-CD1 4.4Å; A113-L161 HydrophobicContact CB-CB 3.62Å; A113-L161 HydrophobicContact CB-CD1 3.81Å; A113-L161 HydrophobicContact CB-CG 4.34Å; A113-L162 HydrophobicContact CB-CD2 4.1Å; A113-L162 HydrophobicContact CB-CG 4.41Å
114K98.3Very high98.4Very high156 Ų15660.4 Ų60.468%0.67828%0.282SS*.Hα-helixtrans-59.9-41.6176.4-176.3177.9-179.7179.50111.9R110 H111 F112 H118R110-K114 WeakPolarHBondContact O-CB 3.49Å; R110-K114 PolarHBondContact O-N 2.89Å; H111-K114 PolarHBondContact O-N 2.81Å; F112-K114 PolarHBondContact O-N 2.82Å; K114-H118 PolarHBondContact O-N 2.96Å; K114-H118 VanDerWaalsContact O-N 3.09Å
115K98.6Very high98.5Very high70 Ų7060.1 Ų60.130%0.30428%0.28SS..Hα-helixtrans-62.4-48176.3-178.9177.6175.4-176.90111.3E99 H111 F112 A113 Q117 H118 Q119E99-K115 WeakPolarHBondContact OE1-CE 3.22Å; E99-K115 IonicContact OE1-NZ 2.75Å; E99-K115 PolarHBondContact OE1-NZ 3.46Å; E99-K115 WeakPolarHBondContact OE2-CE 3.47Å; E99-K115 IonicContact OE2-NZ 3.61Å; E99-K115 PolarHBondContact OE2-NZ 3.12Å; H111-K115 WeakPolarHBondContact O-CB 3.48Å; H111-K115 PolarHBondContact O-N 3.2Å; F112-K115 WeakPolarHBondContact O-CB 3.16Å; F112-K115 PolarHBondContact O-N 3Å; F112-K115 VanDerWaalsContact O-N 3.15Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.12Å; K115-Q117 PolarHBondContact O-N 3.43Å; K115-H118 PolarHBondContact O-N 3.33Å; K115-H118 VanDerWaalsContact O-N 3.17Å; K115-Q119 WeakPolarHBondContact O-CG 3.35Å; K115-Q119 PolarHBondContact O-N 2.61Å; K115-Q119 VanDerWaalsContact O-N 3.11Å
116I98.6Very high98.5Very high0 Ų059.2 Ų59.20%027%0.274CS..Hα-helixtrans-61.8-44.6178.4-62.1-46.1000111.1I23 I47 F112 A113 H118 Q119 Y120 L162 L165I23-I116 HydrophobicContact CD1-CG1 4.43Å; I23-I116 HydrophobicContact CD1-CG2 4.12Å; I47-I116 HydrophobicContact CD1-CD1 3.8Å; F112-I116 HydrophobicContact CD1-CG1 4.12Å; F112-I116 HydrophobicContact CD2-CG1 4.45Å; F112-I116 HydrophobicContact CE1-CG1 3.72Å; F112-I116 HydrophobicContact CE2-CD1 4.14Å; F112-I116 HydrophobicContact CE2-CG1 4.1Å; F112-I116 HydrophobicContact CG-CG1 4.47Å; F112-I116 HydrophobicContact CZ-CD1 4.08Å; F112-I116 HydrophobicContact CZ-CG1 3.72Å; F112-I116 WeakPolarHBondContact O-CG1 3.47Å; F112-I116 PolarHBondContact O-N 3.4Å; A113-I116 PolarHBondContact O-N 3.17Å; I116-H118 PolarHBondContact O-N 2.93Å; I116-Q119 PolarHBondContact O-N 3.13Å; I116-Y120 HydrophobicContact CD1-CD2 4.43Å; I116-Y120 HydrophobicContact CD1-CE2 4.18Å; I116-Y120 HydrophobicContact CG2-CD2 3.96Å; I116-Y120 WeakPolarHBondContact O-CD2 3.4Å; I116-Y120 PolarHBondContact O-N 2.75Å; I116-L162 HydrophobicContact CB-CD2 4.2Å; I116-L162 HydrophobicContact CG2-CD2 4.09Å; I116-L165 HydrophobicContact CG2-CD1 3.67Å
117Q97.4Very high98.5Very high79 Ų7958.3 Ų58.337%0.36927%0.269SS..Hα-helixtrans-61.3-28.5176.2-72.4174.8-37.800113.7A113 K115 L161 L162 L165A113-Q117 WeakPolarHBondContact O-CB 3.3Å; A113-Q117 VanDerWaalsContact O-CG 3.27Å; A113-Q117 WeakPolarHBondContact O-CG 3.27Å; A113-Q117 PolarHBondContact O-N 3.23Å; K115-Q117 PolarHBondContact O-N 3.43Å; Q117-L161 PolarHBondContact NE2-O 2.79Å; Q117-L162 HydrophobicContact CG-CD2 4.46Å; Q117-L165 HydrophobicContact CG-CD1 4.06Å; Q117-L165 HydrophobicContact CG-CG 4.21Å
118H97.9Very high98.5Very high172 Ų17251.6 Ų51.680%0.79624%0.237SC*.Hα-helixtrans-78.9-33.9176.1-173.146.8000112.7K114 K115 I116K114-H118 PolarHBondContact O-N 2.96Å; K114-H118 VanDerWaalsContact O-N 3.09Å; K115-H118 PolarHBondContact O-N 3.33Å; K115-H118 VanDerWaalsContact O-N 3.17Å; I116-H118 PolarHBondContact O-N 2.93Å
119Q98Very high98.4Very high97 Ų9752.2 Ų52.245%0.45324%0.239SC..Hα-helixtrans-88.6-27.5-174.7-71-178.3-23.800113.8K115 I116K115-Q119 WeakPolarHBondContact O-CG 3.35Å; K115-Q119 PolarHBondContact O-N 2.61Å; K115-Q119 VanDerWaalsContact O-N 3.11Å; I116-Q119 PolarHBondContact O-N 3.13Å
120Y98.3Very high98.2Very high53 Ų5353.2 Ų53.221%0.20825%0.248CC..  trans-130.2145.7-172.5-55.3-82.8000111.2L21 I47 I97 I116 L165L21-Y120 HydrophobicContact CD1-CD1 4.24Å; L21-Y120 HydrophobicContact CD1-CE1 3.98Å; L21-Y120 HydrophobicContact CD2-CD1 3.47Å; L21-Y120 VanDerWaalsContact CD2-CD1 3.47Å; L21-Y120 HydrophobicContact CD2-CD2 4.04Å; L21-Y120 HydrophobicContact CD2-CE1 4.01Å; L21-Y120 HydrophobicContact CD2-CG 3.48Å; L21-Y120 VanDerWaalsContact CD2-CG 3.48Å; L21-Y120 HydrophobicContact CG-CD1 4.49Å; I47-Y120 HydrophobicContact CD1-CD2 4.29Å; I47-Y120 HydrophobicContact CD1-CE2 3.68Å; I97-Y120 WeakPolarHBondContact CD1-OH 3.48Å; I116-Y120 HydrophobicContact CD1-CD2 4.43Å; I116-Y120 HydrophobicContact CD1-CE2 4.18Å; I116-Y120 HydrophobicContact CG2-CD2 3.96Å; I116-Y120 WeakPolarHBondContact O-CD2 3.4Å; I116-Y120 PolarHBondContact O-N 2.75Å; Y120-L165 VanDerWaalsContact O-CD2 3.25Å; Y120-L165 WeakPolarHBondContact O-CD2 3.15Å
121T97.4Very high97.8Very high117 Ų11749.6 Ų49.672%0.71824%0.241SC*.SBendtrans-97.9-12.6178.455.80000113.4N168T121-N168 VanDerWaalsContact O-CB 3.24Å; T121-N168 WeakPolarHBondContact O-CB 3.45Å; T121-N168 PolarHBondContact O-ND2 3.01Å
122R98.1Very high97.2Very high88 Ų8846 Ų4633%0.33223%0.225SC..  trans-145155.3179.970179.8-68.3129.85111.3L21 D124 N168 G169L21-R122 VanDerWaalsContact CD2-O 3.32Å; L21-R122 WeakPolarHBondContact CD2-O 3.48Å; R122-D124 IonicContact CZ-OD1 3.99Å; R122-D124 IonicContact CZ-OD2 3.08Å; R122-D124 IonicContact NE-OD1 3.18Å; R122-D124 PolarHBondContact NE-OD1 3.04Å; R122-D124 IonicContact NE-OD2 2.74Å; R122-D124 PolarHBondContact NE-OD2 3.11Å; R122-D124 IonicContact NH2-OD1 3.94Å; R122-D124 PolarHBondContact NH2-OD1 2.98Å; R122-D124 IonicContact NH2-OD2 2.8Å; R122-N168 HydrophobicContact CB-CB 4.26Å; R122-G169 PolarHBondContact NH2-O 3.15Å
123L98.8Very high96.6Very high0 Ų046.4 Ų46.40%023%0.227CC..  trans-135.3122.7168.7177.461.9000108.6L21 I23 L126 L162 L165 L166 G169L21-L123 HydrophobicContact CD2-CD1 4.26Å; L21-L123 HydrophobicContact CG-CD1 4.18Å; I23-L123 HydrophobicContact CB-CD1 4.41Å; I23-L123 HydrophobicContact CD1-CD1 3.77Å; I23-L123 HydrophobicContact CD1-CD2 3.71Å; I23-L123 HydrophobicContact CD1-CG 4.42Å; I23-L123 HydrophobicContact CG1-CD1 3.75Å; I23-L123 HydrophobicContact CG1-CD2 4.46Å; L123-L126 HydrophobicContact CD2-CB 4.14Å; L123-L162 HydrophobicContact CD2-CB 4.25Å; L123-L162 HydrophobicContact CD2-CD1 4Å; L123-L165 HydrophobicContact CB-CB 3.72Å; L123-L165 PolarHBondContact N-O 3.03Å; L123-L166 HydrophobicContact CB-CD2 4.3Å; L123-L166 HydrophobicContact CB-CG 4.48Å; L123-L166 HydrophobicContact CD2-CD2 3.85Å; L123-L166 HydrophobicContact CD2-CG 4.01Å; L123-L166 HydrophobicContact CG-CD2 3.87Å; L123-L166 HydrophobicContact CG-CG 4.37Å; L123-L166 WeakPolarHBondContact O-CA 3.38Å; L123-G169 WeakPolarHBondContact O-CA 3.49Å
124D98.8Very high95.7Very high3 Ų346.4 Ų46.42%0.01623%0.226CC..SBendtrans-89.5-36.8-175.9-64.9-93.9000112.1K20 L21 R122 S172 R173K20-D124 WeakPolarHBondContact CA-OD2 3.25Å; K20-D124 HydrophobicContact CB-CB 4.05Å; K20-D124 HydrophobicContact CD-CB 3.78Å; K20-D124 WeakPolarHBondContact CD-OD1 3.42Å; K20-D124 HydrophobicContact CG-CB 4.49Å; K20-D124 IonicContact NZ-OD1 3.71Å; K20-D124 PolarHBondContact NZ-OD1 3.05Å; L21-D124 PolarHBondContact N-OD2 3.1Å; L21-D124 WeakPolarHBondContact O-CB 3.36Å; L21-D124 PolarHBondContact O-N 3.05Å; R122-D124 IonicContact CZ-OD1 3.99Å; R122-D124 IonicContact CZ-OD2 3.08Å; R122-D124 IonicContact NE-OD1 3.18Å; R122-D124 PolarHBondContact NE-OD1 3.04Å; R122-D124 IonicContact NE-OD2 2.74Å; R122-D124 PolarHBondContact NE-OD2 3.11Å; R122-D124 IonicContact NH2-OD1 3.94Å; R122-D124 PolarHBondContact NH2-OD1 2.98Å; R122-D124 IonicContact NH2-OD2 2.8Å; D124-S172 CarbonylContact O-C 3.5Å; D124-S172 WeakPolarHBondContact O-CA 3.43Å; D124-S172 WeakPolarHBondContact O-CB 3.47Å; D124-R173 PolarHBondContact O-N 2.92Å
125I98.9Very high94.9Very high5 Ų539 Ų393%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-142.6127.7-177.4-51.5-178.9000110.2L17 L21 V22 I23 I127 R173 I175 T272L17-I125 HydrophobicContact CD2-CD1 4.48Å; L21-I125 PolarHBondContact O-N 3.49Å; V22-I125 CarbonylContact C-O 3.54Å; V22-I125 VanDerWaalsContact CA-O 3.29Å; V22-I125 WeakPolarHBondContact CA-O 3.37Å; V22-I125 HydrophobicContact CB-CB 4.28Å; V22-I125 HydrophobicContact CG1-CB 3.83Å; V22-I125 HydrophobicContact CG1-CG2 4.02Å; V22-I125 HydrophobicContact CG2-CB 3.94Å; V22-I125 HydrophobicContact CG2-CD1 4.11Å; V22-I125 HydrophobicContact CG2-CG1 4.2Å; I23-I125 PolarHBondContact N-O 3.03Å; I125-I127 HydrophobicContact CG2-CD1 3.93Å; I125-I127 HydrophobicContact CG2-CG1 3.57Å; I125-R173 CarbonylContact C-O 3.5Å; I125-R173 WeakPolarHBondContact CA-O 3.39Å; I125-R173 HydrophobicContact CG1-CB 4.45Å; I125-R173 HydrophobicContact CG2-CB 4.32Å; I125-I175 HydrophobicContact CG2-CD1 4.2Å; I125-T272 HydrophobicContact CD1-CG2 3.88Å; I125-T272 HydrophobicContact CG2-CG2 4.02Å
126L98.9Very high94.4Very high0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-112119.9168.3177.458.5000109.3I23 L123 H128 L158 L162 L166 R173 V174 I175I23-L126 HydrophobicContact CB-CD1 3.84Å; I23-L126 HydrophobicContact CG2-CD1 3.78Å; L123-L126 HydrophobicContact CD2-CB 4.14Å; L126-H128 WeakPolarHBondContact CD2-NE2 3.5Å; L126-L158 HydrophobicContact CD1-CD2 4.47Å; L126-L162 HydrophobicContact CD1-CD1 4.33Å; L126-L162 HydrophobicContact CD2-CD1 4.29Å; L126-L166 HydrophobicContact CB-CD2 4.16Å; L126-L166 HydrophobicContact CD2-CD1 4.3Å; L126-R173 PolarHBondContact N-O 3.46Å; L126-V174 CarbonylContact O-C 3.56Å; L126-V174 WeakPolarHBondContact O-CA 3.43Å; L126-I175 PolarHBondContact O-N 3.02Å
127I98.9Very high94.2Very high0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-115.3107.9180-46.9-172.6000109.8V22 I23 V24 T25 L35 L39 I125 N129 I175 T272V22-I127 HydrophobicContact CG1-CD1 4.18Å; V22-I127 HydrophobicContact CG1-CG1 4.31Å; I23-I127 PolarHBondContact O-N 2.96Å; V24-I127 HydrophobicContact CG2-CB 4.35Å; V24-I127 HydrophobicContact CG2-CD1 4.19Å; V24-I127 HydrophobicContact CG2-CG1 4.47Å; T25-I127 PolarHBondContact N-O 3.42Å; T25-I127 PolarHBondContact OG1-O 2.89Å; L35-I127 HydrophobicContact CD2-CD1 3.7Å; L35-I127 HydrophobicContact CD2-CG2 3.85Å; L35-I127 HydrophobicContact CG-CD1 4.29Å; L39-I127 HydrophobicContact CD1-CD1 3.85Å; I125-I127 HydrophobicContact CG2-CD1 3.93Å; I125-I127 HydrophobicContact CG2-CG1 3.57Å; I127-N129 HydrophobicContact CG2-CB 4.19Å; I127-N129 PolarHBondContact O-N 3.15Å; I127-N129 VanDerWaalsContact O-N 3.11Å; I127-I175 CarbonylContact C-O 3.34Å; I127-I175 WeakPolarHBondContact CA-O 3.5Å; I127-I175 HydrophobicContact CD1-CD1 4.4Å; I127-I175 HydrophobicContact CG1-CB 4.35Å; I127-I175 HydrophobicContact CG1-CD1 4.39Å; I127-I175 HydrophobicContact CG2-CB 4.24Å; I127-I175 HydrophobicContact CG2-CG2 4.23Å; I127-T272 HydrophobicContact CD1-CG2 3.82Å
128H98.8Very high94Very high4 Ų442.9 Ų42.92%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-81.881.7171.9-67-65.5000109.9T25 L126 P155 T159 I175 V176 I177T25-H128 WeakPolarHBondContact OG1-CA 3.44Å; L126-H128 WeakPolarHBondContact CD2-NE2 3.5Å; H128-P155 HydrophobicContact CB-CB 4.24Å; H128-P155 HydrophobicContact CB-CG 4.28Å; H128-P155 PolarHBondContact NE2-O 3.4Å; H128-T159 PolarHBondContact NE2-OG1 3.42Å; H128-I175 PolarHBondContact N-O 2.91Å; H128-V176 HydrophobicContact CB-CG1 4.4Å; H128-V176 HydrophobicContact CB-CG2 4.41Å; H128-I177 WeakPolarHBondContact O-CB 3.38Å; H128-I177 WeakPolarHBondContact O-CG1 3.38Å; H128-I177 PolarHBondContact O-N 2.97Å
129N97.7Very high93.9Very high26 Ų2639 Ų3914%0.13920%0.203CC..  trans-97.1-30.2179.8161.493.2000113.5V24 T25 G26 G32 I127 G131 I177V24-N129 HydrophobicContact CG1-CB 4.23Å; T25-N129 CarbonylContact O-C 3.18Å; T25-N129 WeakPolarHBondContact O-CB 3.27Å; T25-N129 PolarHBondContact O-ND2 3.44Å; T25-N129 PolarHBondContact OG1-N 2.93Å; G26-N129 PolarHBondContact O-ND2 2.9Å; G32-N129 WeakPolarHBondContact CA-ND2 3.49Å; G32-N129 PolarHBondContact N-ND2 3.11Å; G32-N129 PolarHBondContact N-OD1 3.41Å; I127-N129 HydrophobicContact CG2-CB 4.19Å; I127-N129 PolarHBondContact O-N 3.15Å; I127-N129 VanDerWaalsContact O-N 3.11Å; N129-G131 PolarHBondContact O-N 2.8Å; N129-I177 HydrophobicContact CB-CG1 3.9Å
130A93.9Very high93.9Very high22 Ų2235 Ų3518%0.18219%0.185CC..  trans-54.9138.7176.400000111T25 L103T25-A130 PolarHBondContact O-N 3.27Å; T25-A130 WeakPolarHBondContact OG1-CB 3.49Å; T25-A130 PolarHBondContact OG1-N 3.24Å; L103-A130 HydrophobicContact CD1-CB 3.59Å
131G89.9Confident93.9Very high20 Ų2039.2 Ų39.221%0.20621%0.206CC..  trans-167.4159.8175.500000113.4N129 N151 I242N129-G131 PolarHBondContact O-N 2.8Å; G131-N151 WeakPolarHBondContact CA-OD1 3.42Å; G131-I242 WeakPolarHBondContact O-CG2 3.47Å
132M85.9Confident93.9Very high51 Ų5136.4 Ų36.425%0.25119%0.187SC..  trans-116.5143.9174.9-61.3-61.7-64.200108.9T135 L146 Q147 V150 N151 Y205M132-T135 HydrophobicContact CE-CG2 3.83Å; M132-L146 HydrophobicContact CE-CD2 4.14Å; M132-Q147 HydrophobicContact CB-CG 4.32Å; M132-V150 HydrophobicContact CG-CB 4.07Å; M132-V150 HydrophobicContact CG-CG1 3.93Å; M132-V150 HydrophobicContact CG-CG2 4.23Å; M132-N151 PolarHBondContact N-OD1 3.44Å; M132-N151 PolarHBondContact O-ND2 2.76Å; M132-N151 PolarHBondContact O-OD1 3.01Å; M132-Y205 VanDerWaalsContact O-CD2 3.31Å; M132-Y205 WeakPolarHBondContact O-CD2 3.41Å; M132-Y205 WeakPolarHBondContact O-CE2 3.43Å
133M87.4Confident93.9Very high11 Ų1133.1 Ų33.15%0.05418%0.18CC..BIsolated β-bridgetrans-133.7122.3-177.7-174.1174.970.500112.4T135 Y205 I242 Y250 L254M133-T135 VanDerWaalsContact C-N 3.31Å; M133-T135 PolarHBondContact O-N 2.74Å; M133-Y205 HydrophobicContact CB-CD2 3.93Å; M133-Y205 HydrophobicContact CB-CE2 3.68Å; M133-Y205 HydrophobicContact CG-CD1 3.86Å; M133-Y205 HydrophobicContact CG-CD2 3.75Å; M133-Y205 HydrophobicContact CG-CE1 3.73Å; M133-Y205 HydrophobicContact CG-CE2 3.63Å; M133-Y205 HydrophobicContact CG-CG 3.85Å; M133-Y205 HydrophobicContact SD-CD1 4.37Å; M133-Y205 HydrophobicContact SD-CE1 3.77Å; M133-Y205 HydrophobicContact SD-CE2 4.36Å; M133-I242 HydrophobicContact CB-CG2 3.78Å; M133-Y250 HydrophobicContact CE-CE1 3.57Å; M133-Y250 HydrophobicContact SD-CE1 4.45Å; M133-L254 HydrophobicContact CE-CD1 4.35Å
134A80.4Confident93.9Very high0 Ų034.2 Ų34.20%019%0.185CC..SBendtrans48.348.816800000113.3P201 F202 T245A134-P201 WeakPolarHBondContact CA-O 3.4Å; A134-P201 HydrophobicContact CB-CB 3.93Å; A134-F202 HydrophobicContact CB-CD1 3.96Å; A134-F202 HydrophobicContact CB-CD2 4.27Å; A134-F202 HydrophobicContact CB-CE1 3.95Å; A134-F202 HydrophobicContact CB-CE2 4.26Å; A134-F202 HydrophobicContact CB-CG 4.12Å; A134-F202 HydrophobicContact CB-CZ 4.11Å; A134-T245 HydrophobicContact CB-CG2 3.38Å; A134-T245 VanDerWaalsContact O-CA 3.25Å; A134-T245 WeakPolarHBondContact O-CA 3.19Å; A134-T245 WeakPolarHBondContact O-CG2 3.39Å
135T81.2Confident93.8Very high2 Ų234.1 Ų34.11%0.01218%0.184CC..PPolyproline II helixtrans-81.1167.5176.260.40000111.5M132 M133 M138 Y199 P201 N244M132-T135 HydrophobicContact CE-CG2 3.83Å; M133-T135 VanDerWaalsContact C-N 3.31Å; M133-T135 PolarHBondContact O-N 2.74Å; T135-M138 HydrophobicContact CG2-CE 4.45Å; T135-Y199 WeakPolarHBondContact O-CE1 3.43Å; T135-Y199 PolarHBondContact O-OH 3.24Å; T135-P201 WeakPolarHBondContact O-CB 3.44Å; T135-N244 HydrophobicContact CG2-CB 4.44Å
136S88Confident93.7Very high77 Ų7734.7 Ų34.754%0.53819%0.187SC..PPolyproline II helixtrans-57.6158.2158.853.70000110.7M138 Y199S136-M138 PolarHBondContact O-N 2.68Å; S136-Y199 PolarHBondContact O-OH 3.45Å
137Y92.9Very high93.5Very high74 Ų7434.7 Ų34.729%0.2919%0.187SC..SBendtrans-59.5127.6176.8-176-90.4000109.7E139 E145 R195 Y199Y137-E139 HydrophobicContact CE1-CG 3.7Å; Y137-E139 WeakPolarHBondContact OH-CG 3.37Å; Y137-E139 PolarHBondContact OH-OE1 2.8Å; Y137-E145 HydrophobicContact CD2-CG 4.3Å; Y137-E145 HydrophobicContact CE2-CB 4.38Å; Y137-E145 HydrophobicContact CE2-CG 4.04Å; Y137-R195 HydrophobicContact CE2-CG 4.34Å; Y137-R195 WeakPolarHBondContact OH-CD 3.02Å; Y137-R195 VanDerWaalsContact OH-CG 3.29Å; Y137-R195 WeakPolarHBondContact OH-CG 3.3Å; Y137-R195 PolarHBondContact OH-NE 3.45Å; Y137-Y199 HydrophobicContact CD2-CD1 4.37Å; Y137-Y199 AromaticContact CD2-CD2 3.53Å; Y137-Y199 HydrophobicContact CD2-CD2 3.53Å; Y137-Y199 AromaticContact CD2-CE2 3.9Å; Y137-Y199 HydrophobicContact CD2-CE2 3.9Å; Y137-Y199 AromaticContact CD2-CG 3.76Å; Y137-Y199 HydrophobicContact CD2-CG 3.76Å; Y137-Y199 HydrophobicContact CE2-CD2 4.35Å; Y137-Y199 HydrophobicContact CG-CD2 4.44Å; Y137-Y199 HydrophobicContact CG-CG 4.37Å; Y137-Y199 VanDerWaalsContact N-CE1 3.26Å
138M94.2Very high93.4Very high79 Ų7934.7 Ų34.739%0.38919%0.187SC..  trans-147.4159.8173.9-72.1-174.9-78.200107.3T135 S136 L146T135-M138 HydrophobicContact CG2-CE 4.45Å; S136-M138 PolarHBondContact O-N 2.68Å; M138-L146 HydrophobicContact CB-CB 4.06Å; M138-L146 HydrophobicContact CB-CD2 3.95Å; M138-L146 HydrophobicContact CE-CD2 3.48Å; M138-L146 VanDerWaalsContact CE-CD2 3.48Å; M138-L146 WeakPolarHBondContact O-CB 3.38Å; M138-L146 PolarHBondContact O-N 3.4Å; M138-L146 HydrophobicContact SD-CD2 4.28Å
139E96.7Very high93.4Very high91 Ų9134.6 Ų34.643%0.42519%0.187SC..BIsolated β-bridgetrans-111.9151.7175.8-63-172.8159.800111.3Y137 F144 R195Y137-E139 HydrophobicContact CE1-CG 3.7Å; Y137-E139 WeakPolarHBondContact OH-CG 3.37Å; Y137-E139 PolarHBondContact OH-OE1 2.8Å; E139-F144 CarbonylContact C-O 3.42Å; E139-F144 WeakPolarHBondContact CA-O 3.32Å; E139-R195 IonicContact OE1-CZ 2.82Å; E139-R195 IonicContact OE1-NE 2.93Å; E139-R195 PolarHBondContact OE1-NE 2.95Å; E139-R195 VanDerWaalsContact OE1-NE 3.12Å; E139-R195 IonicContact OE1-NH2 3.99Å
140T97.8Very high93.4Very high12 Ų1234 Ų347%0.07418%0.184CC..  trans-67.1170.6165.8650000110.5A104 D142 G143 F144 L146A104-T140 HydrophobicContact CB-CG2 4.07Å; A104-T140 VanDerWaalsContact O-CB 3.3Å; A104-T140 WeakPolarHBondContact O-CB 3.39Å; T140-D142 PolarHBondContact O-N 3.14Å; T140-D142 VanDerWaalsContact O-N 3.16Å; T140-D142 PolarHBondContact OG1-N 3.08Å; T140-G143 PolarHBondContact O-N 3.13Å; T140-G143 PolarHBondContact OG1-N 3.34Å; T140-F144 HydrophobicContact CG2-CB 4.2Å; T140-F144 PolarHBondContact N-O 3.47Å; T140-F144 WeakPolarHBondContact OG1-CB 3.48Å; T140-F144 PolarHBondContact OG1-N 2.95Å; T140-L146 HydrophobicContact CG2-CD1 4.25Å
141H97.4Very high93.6Very high142 Ų14233.1 Ų33.166%0.65718%0.177SC*.THydrogen-bonded Turntrans-54.8-32.8172.7-176.9-91.6000112.3A104 C105A104-H141 WeakPolarHBondContact O-CB 3.13Å; A104-H141 PolarHBondContact O-N 3.29Å; C105-H141 HydrophobicContact CB-CB 4.02Å
142D98.3Very high94Very high58 Ų5832.1 Ų32.131%0.3117%0.167SC..THydrogen-bonded Turntrans-92.59.2-178-44.7-88.2000113.7C105 L106 T140 F144C105-D142 WeakPolarHBondContact CA-OD2 3.28Å; L106-D142 HydrophobicContact CD1-CB 4.28Å; L106-D142 HydrophobicContact CG-CB 4.09Å; L106-D142 VanDerWaalsContact CG-CG 3.47Å; L106-D142 WeakPolarHBondContact CG-OD2 3.29Å; L106-D142 PolarHBondContact N-OD2 3.33Å; T140-D142 PolarHBondContact O-N 3.14Å; T140-D142 VanDerWaalsContact O-N 3.16Å; T140-D142 PolarHBondContact OG1-N 3.08Å; D142-F144 HydrophobicContact CB-CD2 4.05Å; D142-F144 HydrophobicContact CB-CE2 3.64Å; D142-F144 HydrophobicContact CB-CZ 4.25Å
143G97.3Very high94.6Very high18 Ų1829.8 Ų29.819%0.18616%0.155CC..SBendtrans82.117.1173.700000115.7T140 R195T140-G143 PolarHBondContact O-N 3.13Å; T140-G143 PolarHBondContact OG1-N 3.34Å; G143-R195 PolarHBondContact O-NH2 3.48Å
144F97.8Very high95.1Very high24 Ų2429.3 Ų29.311%0.10515%0.153CC..SBendtrans-89.1152.8173.4-50.6-54.1000111.6L106 E139 T140 D142 L146 L153 N193 M311L106-F144 HydrophobicContact CD1-CE2 3.84Å; L106-F144 HydrophobicContact CD1-CZ 4.25Å; L106-F144 HydrophobicContact CD2-CE2 4.21Å; L106-F144 HydrophobicContact CG-CE2 4.11Å; E139-F144 CarbonylContact C-O 3.42Å; E139-F144 WeakPolarHBondContact CA-O 3.32Å; T140-F144 HydrophobicContact CG2-CB 4.2Å; T140-F144 PolarHBondContact N-O 3.47Å; T140-F144 WeakPolarHBondContact OG1-CB 3.48Å; T140-F144 PolarHBondContact OG1-N 2.95Å; D142-F144 HydrophobicContact CB-CD2 4.05Å; D142-F144 HydrophobicContact CB-CE2 3.64Å; D142-F144 HydrophobicContact CB-CZ 4.25Å; F144-L146 PolarHBondContact O-N 2.91Å; F144-L153 HydrophobicContact CB-CD1 3.95Å; F144-L153 HydrophobicContact CD1-CD1 3.97Å; F144-L153 HydrophobicContact CD2-CD1 3.81Å; F144-L153 HydrophobicContact CE1-CD1 4.47Å; F144-L153 HydrophobicContact CE2-CD1 4.33Å; F144-L153 HydrophobicContact CG-CD1 3.61Å; F144-N193 VanDerWaalsContact CA-OD1 3.22Å; F144-N193 WeakPolarHBondContact CA-OD1 3.33Å; F144-M311 HydrophobicContact CD1-CE 3.36Å; F144-M311 HydrophobicContact CE1-CB 4.15Å; F144-M311 HydrophobicContact CE1-CE 3.58Å; F144-M311 HydrophobicContact CG-CE 4.27Å; F144-M311 HydrophobicContact CZ-CB 4.35Å; F144-M311 VanDerWaalsContact CZ-O 3.25Å; F144-M311 WeakPolarHBondContact CZ-O 3.45Å
145E97.3Very high96Very high0 Ų029.4 Ų29.40%015%0.154CC..BIsolated β-bridgetrans-56.1130.4169.1-172.9-78.6127.600110.5Y137 Q147 M148 G149 N193 Y199Y137-E145 HydrophobicContact CD2-CG 4.3Å; Y137-E145 HydrophobicContact CE2-CB 4.38Å; Y137-E145 HydrophobicContact CE2-CG 4.04Å; E145-Q147 VanDerWaalsContact CD-N 3.3Å; E145-Q147 PolarHBondContact O-N 2.94Å; E145-Q147 WeakPolarHBondContact OE1-CB 3.46Å; E145-Q147 WeakPolarHBondContact OE1-CG 3.45Å; E145-Q147 PolarHBondContact OE1-N 2.99Å; E145-Q147 PolarHBondContact OE2-N 3.38Å; E145-M148 HydrophobicContact CB-CB 4.43Å; E145-M148 PolarHBondContact O-N 2.74Å; E145-M148 WeakPolarHBondContact OE2-CB 3.41Å; E145-M148 PolarHBondContact OE2-N 2.9Å; E145-G149 PolarHBondContact O-N 3.37Å; E145-N193 HydrophobicContact CB-CB 4.29Å; E145-N193 WeakPolarHBondContact CB-O 3.33Å; E145-N193 WeakPolarHBondContact CG-O 3.24Å; E145-N193 PolarHBondContact N-OD1 2.95Å; E145-Y199 HydrophobicContact CG-CD2 4.28Å; E145-Y199 HydrophobicContact CG-CE2 3.89Å
146L96.3Very high96.8Very high18 Ų1829.3 Ų29.39%0.09415%0.153CC..Hα-helixtrans-57.5-42.6-165.8-176.167.5000113.9A104 M132 M138 T140 F144 V150A104-L146 HydrophobicContact CB-CD1 4.08Å; M132-L146 HydrophobicContact CE-CD2 4.14Å; M138-L146 HydrophobicContact CB-CB 4.06Å; M138-L146 HydrophobicContact CB-CD2 3.95Å; M138-L146 HydrophobicContact CE-CD2 3.48Å; M138-L146 VanDerWaalsContact CE-CD2 3.48Å; M138-L146 WeakPolarHBondContact O-CB 3.38Å; M138-L146 PolarHBondContact O-N 3.4Å; M138-L146 HydrophobicContact SD-CD2 4.28Å; T140-L146 HydrophobicContact CG2-CD1 4.25Å; F144-L146 PolarHBondContact O-N 2.91Å; L146-V150 HydrophobicContact CD1-CG2 3.84Å; L146-V150 HydrophobicContact CG-CG2 4.39Å; L146-V150 WeakPolarHBondContact O-CB 3.34Å; L146-V150 WeakPolarHBondContact O-CG2 3.21Å; L146-V150 PolarHBondContact O-N 2.86Å
147Q95.6Very high97.3Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-70.1-44.6-178.5-59-17573.800111.3M132 E145 N151 Y199 P201M132-Q147 HydrophobicContact CB-CG 4.32Å; E145-Q147 VanDerWaalsContact CD-N 3.3Å; E145-Q147 PolarHBondContact O-N 2.94Å; E145-Q147 WeakPolarHBondContact OE1-CB 3.46Å; E145-Q147 WeakPolarHBondContact OE1-CG 3.45Å; E145-Q147 PolarHBondContact OE1-N 2.99Å; E145-Q147 PolarHBondContact OE2-N 3.38Å; Q147-N151 WeakPolarHBondContact O-CA 3.39Å; Q147-N151 WeakPolarHBondContact O-CB 3.23Å; Q147-N151 PolarHBondContact O-N 2.62Å; Q147-N151 PolarHBondContact O-ND2 3.5Å; Q147-Y199 PolarHBondContact NE2-OH 3.18Å; Q147-P201 PolarHBondContact NE2-O 3.03Å
148M97.7Very high97.6Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-62.3-43.5173.2-177.457.366.400111.7E145 H152 L153 L192 Q207 A211E145-M148 HydrophobicContact CB-CB 4.43Å; E145-M148 PolarHBondContact O-N 2.74Å; E145-M148 WeakPolarHBondContact OE2-CB 3.41Å; E145-M148 PolarHBondContact OE2-N 2.9Å; M148-H152 WeakPolarHBondContact O-CA 3.17Å; M148-H152 WeakPolarHBondContact O-CB 3.17Å; M148-H152 PolarHBondContact O-N 3.42Å; M148-H152 VanDerWaalsContact O-N 3.08Å; M148-H152 HydrophobicContact SD-CB 3.78Å; M148-L153 HydrophobicContact CG-CD1 4.18Å; M148-L153 HydrophobicContact CG-CG 4.24Å; M148-L153 PolarHBondContact O-N 3.04Å; M148-L192 HydrophobicContact CE-CB 4.43Å; M148-L192 HydrophobicContact CE-CD2 4.06Å; M148-L192 HydrophobicContact CG-CB 4.21Å; M148-Q207 HydrophobicContact CE-CB 4.44Å; M148-Q207 HydrophobicContact CE-CG 3.63Å; M148-A211 HydrophobicContact CE-CB 4.31Å; M148-A211 HydrophobicContact SD-CB 4.31Å
149G97.9Very high97.8Very high2 Ų218.4 Ų18.42%0.02110%0.095CC..Iπ-helixtrans-58.7-56.817700000112.5E145 L153 G154E145-G149 PolarHBondContact O-N 3.37Å; G149-L153 PolarHBondContact O-N 2.88Å; G149-G154 PolarHBondContact O-N 3.45Å
150V97.6Very high97.8Very high13 Ų1314 Ų148%0.0798%0.075CC..Iπ-helixtrans-74.7-44.1-1761740000112.4L103 A104 M132 L146 P155L103-V150 HydrophobicContact CB-CG1 4.16Å; L103-V150 HydrophobicContact CD1-CG1 4.49Å; A104-V150 HydrophobicContact CB-CG2 3.79Å; M132-V150 HydrophobicContact CG-CB 4.07Å; M132-V150 HydrophobicContact CG-CG1 3.93Å; M132-V150 HydrophobicContact CG-CG2 4.23Å; L146-V150 HydrophobicContact CD1-CG2 3.84Å; L146-V150 HydrophobicContact CG-CG2 4.39Å; L146-V150 WeakPolarHBondContact O-CB 3.34Å; L146-V150 WeakPolarHBondContact O-CG2 3.21Å; L146-V150 PolarHBondContact O-N 2.86Å; V150-P155 VanDerWaalsContact O-CD 3.22Å; V150-P155 WeakPolarHBondContact O-CD 3.37Å
151N97.5Very high97.8Very high3 Ų314.5 Ų14.52%0.0168%0.077CC..Iπ-helixtrans-79.6-24.7-172.7-60.2-13.6000112.6G131 M132 Q147 S208 N212G131-N151 WeakPolarHBondContact CA-OD1 3.42Å; M132-N151 PolarHBondContact N-OD1 3.44Å; M132-N151 PolarHBondContact O-ND2 2.76Å; M132-N151 PolarHBondContact O-OD1 3.01Å; Q147-N151 WeakPolarHBondContact O-CA 3.39Å; Q147-N151 WeakPolarHBondContact O-CB 3.23Å; Q147-N151 PolarHBondContact O-N 2.62Å; Q147-N151 PolarHBondContact O-ND2 3.5Å; N151-S208 PolarHBondContact ND2-OG 3.22Å; N151-N212 PolarHBondContact O-ND2 2.97Å
152H98.5Very high97.8Very high0 Ų07.7 Ų7.70%05%0.046CC..Iπ-helixtrans-130.7-59.7-169.7179.878.1000113.7M148 G154 P155 V156 A211 S308M148-H152 WeakPolarHBondContact O-CA 3.17Å; M148-H152 WeakPolarHBondContact O-CB 3.17Å; M148-H152 PolarHBondContact O-N 3.42Å; M148-H152 VanDerWaalsContact O-N 3.08Å; M148-H152 HydrophobicContact SD-CB 3.78Å; H152-G154 PolarHBondContact O-N 3.35Å; H152-P155 VanDerWaalsContact O-CD 3.31Å; H152-P155 WeakPolarHBondContact O-CD 3.31Å; H152-V156 VanDerWaalsContact O-CG2 3.29Å; H152-V156 WeakPolarHBondContact O-CG2 3.29Å; H152-V156 PolarHBondContact O-N 3.04Å; H152-A211 HydrophobicContact CB-CB 4.25Å; H152-A211 PolarHBondContact CE1-O 3.47Å; H152-A211 WeakPolarHBondContact ND1-CB 3.21Å; H152-A211 PolarHBondContact ND1-O 3.44Å; H152-S308 PolarHBondContact NE2-OG 3.4Å
153L98.6Very high97.8Very high1 Ų15 Ų51%0.0053%0.031CC..Iπ-helixtrans-64.4-42.5-174.5-62.9174000112.3F144 M148 G149 V156 L157 M311 V312F144-L153 HydrophobicContact CB-CD1 3.95Å; F144-L153 HydrophobicContact CD1-CD1 3.97Å; F144-L153 HydrophobicContact CD2-CD1 3.81Å; F144-L153 HydrophobicContact CE1-CD1 4.47Å; F144-L153 HydrophobicContact CE2-CD1 4.33Å; F144-L153 HydrophobicContact CG-CD1 3.61Å; M148-L153 HydrophobicContact CG-CD1 4.18Å; M148-L153 HydrophobicContact CG-CG 4.24Å; M148-L153 PolarHBondContact O-N 3.04Å; G149-L153 PolarHBondContact O-N 2.88Å; L153-V156 WeakPolarHBondContact O-CB 3.3Å; L153-V156 PolarHBondContact O-N 3Å; L153-L157 PolarHBondContact O-N 3.27Å; L153-M311 HydrophobicContact CD1-CE 3.63Å; L153-M311 HydrophobicContact CD1-SD 4.37Å; L153-M311 HydrophobicContact CD2-CB 4.27Å; L153-M311 HydrophobicContact CD2-SD 4.24Å; L153-V312 HydrophobicContact CB-CG1 3.78Å; L153-V312 HydrophobicContact CD2-CG1 4.22Å
154G98.7Very high97.7Very high1 Ų16 Ų61%0.014%0.035CC..Hα-helixtrans-58.1-52.1174.300000112.4G149 H152 V156 L157 L158G149-G154 PolarHBondContact O-N 3.45Å; H152-G154 PolarHBondContact O-N 3.35Å; G154-V156 VanDerWaalsContact C-N 3.34Å; G154-V156 PolarHBondContact O-N 3.23Å; G154-L157 PolarHBondContact O-N 3.45Å; G154-L158 WeakPolarHBondContact O-CB 3.47Å; G154-L158 PolarHBondContact O-N 3.31Å
155P98.7Very high97.7Very high3 Ų35.4 Ų5.42%0.0193%0.032CC..Hα-helixtrans-55.8-38.3171.3-34.439.9000115.8H128 V150 H152 T159H128-P155 HydrophobicContact CB-CB 4.24Å; H128-P155 HydrophobicContact CB-CG 4.28Å; H128-P155 PolarHBondContact NE2-O 3.4Å; V150-P155 VanDerWaalsContact O-CD 3.22Å; V150-P155 WeakPolarHBondContact O-CD 3.37Å; H152-P155 VanDerWaalsContact O-CD 3.31Å; H152-P155 WeakPolarHBondContact O-CD 3.31Å; P155-T159 WeakPolarHBondContact O-CB 3.26Å; P155-T159 PolarHBondContact O-N 2.96Å; P155-T159 PolarHBondContact O-OG1 3.24Å
156V98.4Very high97.8Very high0 Ų05.4 Ų5.40%03%0.032CC..Hα-helixtrans-59.3-55.6174168.90000110H152 L153 G154 L158 T159 E160 Y215 R309 V312 L314H152-V156 VanDerWaalsContact O-CG2 3.29Å; H152-V156 WeakPolarHBondContact O-CG2 3.29Å; H152-V156 PolarHBondContact O-N 3.04Å; L153-V156 WeakPolarHBondContact O-CB 3.3Å; L153-V156 PolarHBondContact O-N 3Å; G154-V156 VanDerWaalsContact C-N 3.34Å; G154-V156 PolarHBondContact O-N 3.23Å; V156-L158 PolarHBondContact O-N 3.48Å; V156-T159 PolarHBondContact O-N 3.46Å; V156-E160 PolarHBondContact O-N 2.91Å; V156-E160 VanDerWaalsContact O-N 3.1Å; V156-Y215 HydrophobicContact CB-CE2 4.33Å; V156-Y215 HydrophobicContact CG1-CE2 4.28Å; V156-Y215 HydrophobicContact CG2-CD1 4.28Å; V156-Y215 HydrophobicContact CG2-CD2 3.78Å; V156-Y215 HydrophobicContact CG2-CE1 4.2Å; V156-Y215 HydrophobicContact CG2-CE2 3.72Å; V156-Y215 HydrophobicContact CG2-CG 4.06Å; V156-R309 HydrophobicContact CG1-CG 4.39Å; V156-V312 HydrophobicContact CG1-CG2 4.41Å; V156-L314 HydrophobicContact CG1-CD1 4.19Å
157L98.5Very high97.8Very high0 Ų08.6 Ų8.60%04%0.043CC..Hα-helixtrans-60.3-47.9-179.318060000111.7L106 I109 R110 L153 G154 E160 L161 V312 L314L106-L157 HydrophobicContact CB-CD2 3.99Å; L106-L157 HydrophobicContact CD2-CD2 3.7Å; L106-L157 HydrophobicContact CG-CD2 4.29Å; I109-L157 HydrophobicContact CB-CD2 4Å; I109-L157 HydrophobicContact CD1-CD2 4.24Å; I109-L157 HydrophobicContact CG2-CB 4.17Å; I109-L157 HydrophobicContact CG2-CD2 3.75Å; I109-L157 HydrophobicContact CG2-CG 3.72Å; R110-L157 HydrophobicContact CG-CD2 4.25Å; L153-L157 PolarHBondContact O-N 3.27Å; G154-L157 PolarHBondContact O-N 3.45Å; L157-E160 PolarHBondContact O-N 3.01Å; L157-L161 HydrophobicContact CD1-CD1 3.75Å; L157-L161 HydrophobicContact CD1-CD2 4.49Å; L157-L161 HydrophobicContact CD1-CG 3.96Å; L157-L161 HydrophobicContact CD2-CD1 4.48Å; L157-L161 HydrophobicContact CG-CD1 3.78Å; L157-L161 HydrophobicContact CG-CG 4.38Å; L157-L161 WeakPolarHBondContact O-CB 3.48Å; L157-L161 VanDerWaalsContact O-CG 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.47Å; L157-V312 HydrophobicContact CB-CB 4.04Å; L157-V312 HydrophobicContact CB-CG1 4.31Å; L157-V312 HydrophobicContact CB-CG2 4.01Å; L157-V312 HydrophobicContact CD1-CB 4.39Å; L157-V312 HydrophobicContact CD1-CG2 4.14Å; L157-V312 HydrophobicContact CD2-CB 4.43Å; L157-L314 HydrophobicContact CD1-CD1 4.37Å; L157-L314 HydrophobicContact CD1-CD2 3.95Å; L157-L314 HydrophobicContact CD1-CG 3.96Å
158L98.7Very high97.9Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-64.2-44.4-176.8179.359000112T25 L101 L103 I109 F112 A113 L126 G154 V156 L162T25-L158 HydrophobicContact CG2-CD2 4.01Å; L101-L158 HydrophobicContact CD2-CD2 3.7Å; L103-L158 HydrophobicContact CD2-CD2 4.28Å; I109-L158 HydrophobicContact CG2-CB 3.82Å; I109-L158 HydrophobicContact CG2-CD1 4.21Å; F112-L158 HydrophobicContact CD1-CD1 3.67Å; F112-L158 HydrophobicContact CE1-CD1 3.93Å; A113-L158 HydrophobicContact CB-CD1 4.4Å; L126-L158 HydrophobicContact CD1-CD2 4.47Å; G154-L158 WeakPolarHBondContact O-CB 3.47Å; G154-L158 PolarHBondContact O-N 3.31Å; V156-L158 PolarHBondContact O-N 3.48Å; L158-L162 HydrophobicContact CD1-CD1 3.57Å; L158-L162 HydrophobicContact CD1-CG 4.05Å; L158-L162 HydrophobicContact CG-CD1 4.03Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CG 3.32Å; L158-L162 PolarHBondContact O-N 3.24Å; L158-L162 VanDerWaalsContact O-N 3.13Å
159T98.4Very high97.9Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-59.4-51.8176.1-67.50000110.5H128 P155 V156 L161 L162 L163 L166 V174 Y215 L219H128-T159 PolarHBondContact NE2-OG1 3.42Å; P155-T159 WeakPolarHBondContact O-CB 3.26Å; P155-T159 PolarHBondContact O-N 2.96Å; P155-T159 PolarHBondContact O-OG1 3.24Å; V156-T159 PolarHBondContact O-N 3.46Å; T159-L161 VanDerWaalsContact C-N 3.34Å; T159-L161 PolarHBondContact O-N 2.72Å; T159-L162 CarbonylContact O-C 3.48Å; T159-L162 PolarHBondContact O-N 2.97Å; T159-L163 HydrophobicContact CG2-CD2 4.35Å; T159-L163 WeakPolarHBondContact O-CG 3.43Å; T159-L163 PolarHBondContact O-N 2.72Å; T159-L166 HydrophobicContact CG2-CD1 4.48Å; T159-V174 HydrophobicContact CG2-CG1 4.16Å; T159-V174 HydrophobicContact CG2-CG2 4.19Å; T159-Y215 VanDerWaalsContact CB-OH 3.28Å; T159-Y215 WeakPolarHBondContact CB-OH 3.4Å; T159-Y215 WeakPolarHBondContact CG2-OH 3.39Å; T159-L219 HydrophobicContact CG2-CD2 3.9Å
160E97.4Very high97.8Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-62.5-41.1-175.2-76.9-164.8-129.100112.3V156 L157 L162 L163 R309 L314 L319V156-E160 PolarHBondContact O-N 2.91Å; V156-E160 VanDerWaalsContact O-N 3.1Å; L157-E160 PolarHBondContact O-N 3.01Å; E160-L162 PolarHBondContact O-N 3.46Å; E160-L163 HydrophobicContact CB-CD1 4.32Å; E160-L163 HydrophobicContact CG-CD1 4.07Å; E160-L163 WeakPolarHBondContact O-CB 3.37Å; E160-L163 PolarHBondContact O-N 3.04Å; E160-R309 VanDerWaalsContact CD-NE 3.29Å; E160-R309 WeakPolarHBondContact OE1-CD 3.25Å; E160-R309 WeakPolarHBondContact OE1-CG 3.4Å; E160-R309 IonicContact OE1-CZ 2.79Å; E160-R309 IonicContact OE1-NE 2.72Å; E160-R309 PolarHBondContact OE1-NE 3.48Å; E160-R309 IonicContact OE2-CZ 3.16Å; E160-R309 IonicContact OE2-NE 3.95Å; E160-R309 PolarHBondContact OE2-NE 3.02Å; E160-R309 IonicContact OE2-NH2 3.68Å; E160-R309 PolarHBondContact OE2-NH2 3.28Å; E160-L314 HydrophobicContact CB-CD1 3.94Å; E160-L314 HydrophobicContact CB-CD2 3.94Å; E160-L314 VanDerWaalsContact CD-CD1 3.43Å; E160-L314 HydrophobicContact CG-CD1 4.11Å; E160-L314 WeakPolarHBondContact OE1-CD1 3.42Å; E160-L319 WeakPolarHBondContact O-CD1 3.4Å
161L97.6Very high97.8Very high21 Ų2118 Ų1811%0.1110%0.102CC..Hα-helixtrans-62.1-31.8174.3-67.6171.8000112.7I109 R110 A113 Q117 L157 T159 L319I109-L161 HydrophobicContact CG2-CD1 4.16Å; R110-L161 HydrophobicContact CG-CD1 3.94Å; A113-L161 HydrophobicContact CB-CB 3.62Å; A113-L161 HydrophobicContact CB-CD1 3.81Å; A113-L161 HydrophobicContact CB-CG 4.34Å; Q117-L161 PolarHBondContact NE2-O 2.79Å; L157-L161 HydrophobicContact CD1-CD1 3.75Å; L157-L161 HydrophobicContact CD1-CD2 4.49Å; L157-L161 HydrophobicContact CD1-CG 3.96Å; L157-L161 HydrophobicContact CD2-CD1 4.48Å; L157-L161 HydrophobicContact CG-CD1 3.78Å; L157-L161 HydrophobicContact CG-CG 4.38Å; L157-L161 WeakPolarHBondContact O-CB 3.48Å; L157-L161 VanDerWaalsContact O-CG 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.47Å; T159-L161 VanDerWaalsContact C-N 3.34Å; T159-L161 PolarHBondContact O-N 2.72Å; L161-L319 HydrophobicContact CD2-CD1 4Å
162L97.9Very high97.8Very high0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-92.8-0.7-179.6-65.5178.9000114.1I23 F112 A113 I116 Q117 L123 L126 L158 T159 E160 L165 L166I23-L162 HydrophobicContact CD1-CD1 3.8Å; F112-L162 HydrophobicContact CE1-CD1 4.5Å; A113-L162 HydrophobicContact CB-CD2 4.1Å; A113-L162 HydrophobicContact CB-CG 4.41Å; I116-L162 HydrophobicContact CB-CD2 4.2Å; I116-L162 HydrophobicContact CG2-CD2 4.09Å; Q117-L162 HydrophobicContact CG-CD2 4.46Å; L123-L162 HydrophobicContact CD2-CB 4.25Å; L123-L162 HydrophobicContact CD2-CD1 4Å; L126-L162 HydrophobicContact CD1-CD1 4.33Å; L126-L162 HydrophobicContact CD2-CD1 4.29Å; L158-L162 HydrophobicContact CD1-CD1 3.57Å; L158-L162 HydrophobicContact CD1-CG 4.05Å; L158-L162 HydrophobicContact CG-CD1 4.03Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CG 3.32Å; L158-L162 PolarHBondContact O-N 3.24Å; L158-L162 VanDerWaalsContact O-N 3.13Å; T159-L162 CarbonylContact O-C 3.48Å; T159-L162 PolarHBondContact O-N 2.97Å; E160-L162 PolarHBondContact O-N 3.46Å; L162-L165 HydrophobicContact CD2-CD1 4.08Å; L162-L165 PolarHBondContact O-N 3.45Å; L162-L166 PolarHBondContact O-N 2.96Å
163L97.4Very high97.8Very high0 Ų019.8 Ų19.80%011%0.109CC..Hα-helixtrans-53.4-42.3-179.6-81.6173.7000114.1T159 E160 L165 L166 Y167 L223 L318 L321T159-L163 HydrophobicContact CG2-CD2 4.35Å; T159-L163 WeakPolarHBondContact O-CG 3.43Å; T159-L163 PolarHBondContact O-N 2.72Å; E160-L163 HydrophobicContact CB-CD1 4.32Å; E160-L163 HydrophobicContact CG-CD1 4.07Å; E160-L163 WeakPolarHBondContact O-CB 3.37Å; E160-L163 PolarHBondContact O-N 3.04Å; L163-L165 VanDerWaalsContact C-N 3.29Å; L163-L165 PolarHBondContact O-N 2.96Å; L163-L166 HydrophobicContact CD2-CD1 4.33Å; L163-L166 PolarHBondContact O-N 2.95Å; L163-Y167 WeakPolarHBondContact O-CB 3.27Å; L163-Y167 PolarHBondContact O-N 3.4Å; L163-L223 HydrophobicContact CD1-CD2 4.46Å; L163-L223 HydrophobicContact CD2-CD1 4.04Å; L163-L223 HydrophobicContact CD2-CD2 3.68Å; L163-L223 HydrophobicContact CD2-CG 4.5Å; L163-L318 HydrophobicContact CD1-CD1 4.39Å; L163-L318 HydrophobicContact CD1-CD2 3.47Å; L163-L318 VanDerWaalsContact CD1-CD2 3.47Å; L163-L318 HydrophobicContact CD1-CG 3.66Å; L163-L321 HydrophobicContact CB-CD1 4.29Å; L163-L321 HydrophobicContact CB-CD2 4.25Å; L163-L321 HydrophobicContact CD1-CD1 4.26Å
164P95.9Very high97.8Very high41 Ų4119.7 Ų19.727%0.26611%0.109SC..Hα-helixtrans-58.5-38.6176.5-27.436.4000113.4N168P164-N168 VanDerWaalsContact O-CG 3.26Å; P164-N168 PolarHBondContact O-N 2.87Å; P164-N168 VanDerWaalsContact O-N 3.09Å; P164-N168 PolarHBondContact O-ND2 2.8Å
165L97.6Very high97.8Very high10 Ų1019.7 Ų19.75%0.05211%0.108CC..Hα-helixtrans-72.6-38.9177-61.3-175000111.9I116 Q117 Y120 L123 L162 L163 Y167 N168 G169I116-L165 HydrophobicContact CG2-CD1 3.67Å; Q117-L165 HydrophobicContact CG-CD1 4.06Å; Q117-L165 HydrophobicContact CG-CG 4.21Å; Y120-L165 VanDerWaalsContact O-CD2 3.25Å; Y120-L165 WeakPolarHBondContact O-CD2 3.15Å; L123-L165 HydrophobicContact CB-CB 3.72Å; L123-L165 PolarHBondContact N-O 3.03Å; L162-L165 HydrophobicContact CD2-CD1 4.08Å; L162-L165 PolarHBondContact O-N 3.45Å; L163-L165 VanDerWaalsContact C-N 3.29Å; L163-L165 PolarHBondContact O-N 2.96Å; L165-Y167 VanDerWaalsContact C-N 3.31Å; L165-N168 PolarHBondContact O-N 3.11Å; L165-G169 PolarHBondContact O-N 3.44Å
166L98.2Very high97.8Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-62.1-41.1175.4-73.4163.6000111.1L123 L126 T159 L162 L163 G169 A170 S172 V174 V228L123-L166 HydrophobicContact CB-CD2 4.3Å; L123-L166 HydrophobicContact CB-CG 4.48Å; L123-L166 HydrophobicContact CD2-CD2 3.85Å; L123-L166 HydrophobicContact CD2-CG 4.01Å; L123-L166 HydrophobicContact CG-CD2 3.87Å; L123-L166 HydrophobicContact CG-CG 4.37Å; L123-L166 WeakPolarHBondContact O-CA 3.38Å; L126-L166 HydrophobicContact CB-CD2 4.16Å; L126-L166 HydrophobicContact CD2-CD1 4.3Å; T159-L166 HydrophobicContact CG2-CD1 4.48Å; L162-L166 PolarHBondContact O-N 2.96Å; L163-L166 HydrophobicContact CD2-CD1 4.33Å; L163-L166 PolarHBondContact O-N 2.95Å; L166-G169 CarbonylContact O-C 3.55Å; L166-G169 PolarHBondContact O-N 2.99Å; L166-A170 PolarHBondContact O-N 3.01Å; L166-A170 VanDerWaalsContact O-N 3.16Å; L166-S172 VanDerWaalsContact O-CB 3.23Å; L166-S172 WeakPolarHBondContact O-CB 3.46Å; L166-S172 PolarHBondContact O-OG 3.45Å; L166-V174 HydrophobicContact CD1-CG2 3.63Å; L166-V174 HydrophobicContact CD2-CG2 4.25Å; L166-V228 HydrophobicContact CB-CG1 3.93Å; L166-V228 HydrophobicContact CB-CG2 4.29Å; L166-V228 HydrophobicContact CD1-CG1 4.47Å
167Y97Very high97.8Very high85 Ų8520.4 Ų20.433%0.33311%0.112SC..Hα-helixtrans-61.6-48.4174.4178.2-97.2000111.5L163 L165 G169 A170 L226 L321 P322L163-Y167 WeakPolarHBondContact O-CB 3.27Å; L163-Y167 PolarHBondContact O-N 3.4Å; L165-Y167 VanDerWaalsContact C-N 3.31Å; Y167-G169 PolarHBondContact O-N 2.72Å; Y167-A170 WeakPolarHBondContact O-CB 3.36Å; Y167-A170 PolarHBondContact O-N 2.96Å; Y167-L226 HydrophobicContact CD2-CB 4.16Å; Y167-L226 HydrophobicContact CD2-CD2 4.38Å; Y167-L226 HydrophobicContact CE2-CB 4.35Å; Y167-L226 HydrophobicContact CE2-CD2 3.97Å; Y167-L321 HydrophobicContact CG-CD2 4.24Å; Y167-P322 HydrophobicContact CD1-CG 4.31Å; Y167-P322 HydrophobicContact CE1-CG 3.54Å; Y167-P322 HydrophobicContact CE2-CG 3.83Å; Y167-P322 VanDerWaalsContact OH-CG 3.22Å; Y167-P322 WeakPolarHBondContact OH-CG 3.37Å
168N97Very high97.7Very high89 Ų8920.5 Ų20.548%0.47611%0.112SC..Hα-helixtrans-63.1-26.2175-68.3-13.4000113.1T121 R122 P164 L165 A170T121-N168 VanDerWaalsContact O-CB 3.24Å; T121-N168 WeakPolarHBondContact O-CB 3.45Å; T121-N168 PolarHBondContact O-ND2 3.01Å; R122-N168 HydrophobicContact CB-CB 4.26Å; P164-N168 VanDerWaalsContact O-CG 3.26Å; P164-N168 PolarHBondContact O-N 2.87Å; P164-N168 VanDerWaalsContact O-N 3.09Å; P164-N168 PolarHBondContact O-ND2 2.8Å; L165-N168 PolarHBondContact O-N 3.11Å; N168-A170 VanDerWaalsContact C-N 3.31Å
169G97.4Very high97.5Very high0 Ų020.9 Ų20.90%012%0.115CC..THydrogen-bonded Turntrans-82.6-3.5175.700000114.6R122 L123 L165 L166 Y167 P171R122-G169 PolarHBondContact NH2-O 3.15Å; L123-G169 WeakPolarHBondContact O-CA 3.49Å; L165-G169 PolarHBondContact O-N 3.44Å; L166-G169 CarbonylContact O-C 3.55Å; L166-G169 PolarHBondContact O-N 2.99Å; Y167-G169 PolarHBondContact O-N 2.72Å; G169-P171 CarbonylContact O-C 3.57Å
170A96.6Very high97.2Very high33 Ų3324.3 Ų24.327%0.27313%0.134SC..  trans-55.9141.5-172.600000113L166 Y167 N168 K227L166-A170 PolarHBondContact O-N 3.01Å; L166-A170 VanDerWaalsContact O-N 3.16Å; Y167-A170 WeakPolarHBondContact O-CB 3.36Å; Y167-A170 PolarHBondContact O-N 2.96Å; N168-A170 VanDerWaalsContact C-N 3.31Å; A170-K227 HydrophobicContact CB-CB 4.02Å
171P96.8Very high97Very high90 Ų9025.6 Ų25.658%0.58414%0.14SC*.SBendcis-69.6120.6-3.129.7-33.9000111.4G169 K227G169-P171 CarbonylContact O-C 3.57Å; P171-K227 WeakPolarHBondContact CA-O 3.23Å
172S98.4Very high96.9Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-121.7163.8-174.563.70000110.6D124 L166 K227 I229D124-S172 CarbonylContact O-C 3.5Å; D124-S172 WeakPolarHBondContact O-CA 3.43Å; D124-S172 WeakPolarHBondContact O-CB 3.47Å; L166-S172 VanDerWaalsContact O-CB 3.23Å; L166-S172 WeakPolarHBondContact O-CB 3.46Å; L166-S172 PolarHBondContact O-OG 3.45Å; S172-K227 PolarHBondContact N-O 3.18Å; S172-K227 VanDerWaalsContact N-O 3.1Å; S172-I229 PolarHBondContact O-N 2.75Å
173R98.7Very high96.9Very high41 Ų4129.2 Ų29.216%0.15516%0.157CC..EExtended strand (participates in β ladder)trans-130.4136.4-171.4-55.3-179.6-165.6-147.9-1.4111.1D124 I125 L126 I175 I229 M231 C271 T272 I274D124-R173 PolarHBondContact O-N 2.92Å; I125-R173 CarbonylContact C-O 3.5Å; I125-R173 WeakPolarHBondContact CA-O 3.39Å; I125-R173 HydrophobicContact CG1-CB 4.45Å; I125-R173 HydrophobicContact CG2-CB 4.32Å; L126-R173 PolarHBondContact N-O 3.46Å; R173-I175 HydrophobicContact CB-CG1 4.4Å; R173-I229 WeakPolarHBondContact CA-O 3.39Å; R173-M231 HydrophobicContact CB-CE 3.97Å; R173-M231 HydrophobicContact CG-CE 4.08Å; R173-C271 VanDerWaalsContact CD-O 3.25Å; R173-C271 WeakPolarHBondContact CD-O 3.5Å; R173-C271 PolarHBondContact NH1-O 2.87Å; R173-T272 PolarHBondContact NH1-O 3.37Å; R173-T272 VanDerWaalsContact NH1-O 3.09Å; R173-I274 VanDerWaalsContact CZ-O 3.23Å; R173-I274 PolarHBondContact NH1-O 2.97Å; R173-I274 PolarHBondContact NH2-O 3.05Å
174V98.8Very high96.7Very high0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-113.7110167.6-178.70000107.5L126 T159 L166 V176 L219 V228 I229 P230 M231L126-V174 CarbonylContact O-C 3.56Å; L126-V174 WeakPolarHBondContact O-CA 3.43Å; T159-V174 HydrophobicContact CG2-CG1 4.16Å; T159-V174 HydrophobicContact CG2-CG2 4.19Å; L166-V174 HydrophobicContact CD1-CG2 3.63Å; L166-V174 HydrophobicContact CD2-CG2 4.25Å; V174-V176 HydrophobicContact CG1-CG2 4.35Å; V174-L219 HydrophobicContact CG1-CD2 4.43Å; V174-V228 HydrophobicContact CG2-CG1 4.17Å; V174-I229 PolarHBondContact N-O 3.03Å; V174-P230 HydrophobicContact CB-CB 4.24Å; V174-P230 CarbonylContact O-C 3.57Å; V174-P230 VanDerWaalsContact O-CA 3.24Å; V174-P230 WeakPolarHBondContact O-CA 3.33Å; V174-M231 PolarHBondContact O-N 2.86Å
175I98.9Very high96.7Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-108.9116.7-176.4-62.1169.1000108.3I125 L126 I127 H128 R173 I177 M231 V233 A268 C271 T272I125-I175 HydrophobicContact CG2-CD1 4.2Å; L126-I175 PolarHBondContact O-N 3.02Å; I127-I175 CarbonylContact C-O 3.34Å; I127-I175 WeakPolarHBondContact CA-O 3.5Å; I127-I175 HydrophobicContact CD1-CD1 4.4Å; I127-I175 HydrophobicContact CG1-CB 4.35Å; I127-I175 HydrophobicContact CG1-CD1 4.39Å; I127-I175 HydrophobicContact CG2-CB 4.24Å; I127-I175 HydrophobicContact CG2-CG2 4.23Å; H128-I175 PolarHBondContact N-O 2.91Å; R173-I175 HydrophobicContact CB-CG1 4.4Å; I175-I177 HydrophobicContact CG2-CD1 4.33Å; I175-M231 HydrophobicContact CD1-CE 4.48Å; I175-M231 HydrophobicContact CG1-CE 3.95Å; I175-V233 HydrophobicContact CG2-CB 4.33Å; I175-V233 HydrophobicContact CG2-CG2 3.7Å; I175-A268 HydrophobicContact CG2-CB 4.46Å; I175-C271 HydrophobicContact CD1-CB 3.81Å; I175-C271 HydrophobicContact CG1-CB 4.21Å; I175-T272 HydrophobicContact CD1-CG2 3.45Å; I175-T272 VanDerWaalsContact CD1-CG2 3.45Å
176V98.8Very high96.5Very high2 Ų238.3 Ų38.31%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-106.7119.9179.6-175.40000110H128 V174 A178 N212 V216 M231 A232 V233H128-V176 HydrophobicContact CB-CG1 4.4Å; H128-V176 HydrophobicContact CB-CG2 4.41Å; V174-V176 HydrophobicContact CG1-CG2 4.35Å; V176-A178 PolarHBondContact O-N 3.42Å; V176-N212 HydrophobicContact CG1-CB 3.77Å; V176-V216 HydrophobicContact CB-CG2 3.82Å; V176-V216 HydrophobicContact CG2-CG2 3.57Å; V176-M231 PolarHBondContact N-O 3.36Å; V176-A232 CarbonylContact O-C 3.44Å; V176-A232 WeakPolarHBondContact O-CA 3.44Å; V176-V233 PolarHBondContact O-N 3.44Å
177I97.9Very high96.4Very high17 Ų1739.4 Ų39.49%0.08721%0.205CC..EExtended strand (participates in β ladder)trans-7697.5176.2-54.8-53.8000109.5H128 N129 I175 K209 V233 P235 A268H128-I177 WeakPolarHBondContact O-CB 3.38Å; H128-I177 WeakPolarHBondContact O-CG1 3.38Å; H128-I177 PolarHBondContact O-N 2.97Å; N129-I177 HydrophobicContact CB-CG1 3.9Å; I175-I177 HydrophobicContact CG2-CD1 4.33Å; I177-K209 PolarHBondContact O-NZ 3.26Å; I177-V233 CarbonylContact C-O 3.45Å; I177-V233 WeakPolarHBondContact CA-O 3.14Å; I177-V233 HydrophobicContact CD1-CB 3.89Å; I177-V233 HydrophobicContact CD1-CG1 3.8Å; I177-P235 HydrophobicContact CG2-CB 4.33Å; I177-P235 HydrophobicContact CG2-CG 3.8Å; I177-A268 HydrophobicContact CD1-CB 3.8Å
178A96.8Very high96.1Very high1 Ų138.6 Ų38.61%0.00821%0.206CC..  trans-86.4-151.2173.100000110.7V176 N212 V213 A232 V233 Y282V176-A178 PolarHBondContact O-N 3.42Å; A178-N212 HydrophobicContact CB-CB 4.19Å; A178-V213 HydrophobicContact CB-CG2 4Å; A178-A232 HydrophobicContact CB-CB 4.29Å; A178-V233 CarbonylContact C-O 3.59Å; A178-V233 WeakPolarHBondContact CA-O 3.46Å; A178-V233 PolarHBondContact N-O 3.44Å; A178-Y282 HydrophobicContact CB-CE2 4.06Å
179S94Very high95.9Very high9 Ų935.9 Ų35.96%0.06319%0.192CC..  trans-162.5148.1177.2179.60000110.2L181 Y182 Y282S179-L181 PolarHBondContact O-N 3.42Å; S179-L181 PolarHBondContact OG-N 2.93Å; S179-Y182 VanDerWaalsContact O-CB 3.31Å; S179-Y182 WeakPolarHBondContact O-CB 3.43Å; S179-Y182 WeakPolarHBondContact O-CD1 3.27Å; S179-Y182 PolarHBondContact O-N 3.23Å; S179-Y282 VanDerWaalsContact C-OH 3.25Å; S179-Y282 PolarHBondContact O-OH 3.17Å
180N92.8Very high95.5Very high72 Ų7243.1 Ų43.139%0.38523%0.231SC..G310 helixtrans-55.9-22.2169.968.2-25.6000113.2Y182 Q183 H234 Y282N180-Y182 PolarHBondContact O-N 2.97Å; N180-Y182 VanDerWaalsContact O-N 3.14Å; N180-Q183 WeakPolarHBondContact O-CB 3.32Å; N180-Q183 VanDerWaalsContact O-CG 3.31Å; N180-Q183 WeakPolarHBondContact O-CG 3.47Å; N180-Q183 PolarHBondContact O-N 2.84Å; N180-H234 PolarHBondContact N-ND1 3.27Å; N180-H234 PolarHBondContact OD1-CE1 2.76Å; N180-H234 VanDerWaalsContact OD1-CE1 3.31Å; N180-Y282 WeakPolarHBondContact CA-OH 3.43Å; N180-Y282 PolarHBondContact N-OH 2.68Å
181L92.9Very high95.4Very high27 Ų2743.1 Ų43.114%0.14123%0.227CC..G310 helixtrans-65.1-9173-68.2177.8000114S179 Q183 Q184 G185 Y205 N206S179-L181 PolarHBondContact O-N 3.42Å; S179-L181 PolarHBondContact OG-N 2.93Å; L181-Q183 PolarHBondContact O-N 3.04Å; L181-Q183 VanDerWaalsContact O-N 3.16Å; L181-Q184 PolarHBondContact O-N 2.83Å; L181-Q184 VanDerWaalsContact O-N 3.07Å; L181-G185 PolarHBondContact O-N 3.26Å; L181-Y205 HydrophobicContact CB-CE1 4.49Å; L181-Y205 HydrophobicContact CD1-CD1 3.99Å; L181-Y205 HydrophobicContact CD1-CE1 3.82Å; L181-N206 WeakPolarHBondContact CB-OD1 3.43Å
182Y96Very high95.3Very high1 Ų139 Ų390%0.00420%0.2CC..G310 helixtrans-53.9-32168.288.3-103.9000111.9S179 N180 Q184 G185 L210 V213 Y282 L291 T292 A295S179-Y182 VanDerWaalsContact O-CB 3.31Å; S179-Y182 WeakPolarHBondContact O-CB 3.43Å; S179-Y182 WeakPolarHBondContact O-CD1 3.27Å; S179-Y182 PolarHBondContact O-N 3.23Å; N180-Y182 PolarHBondContact O-N 2.97Å; N180-Y182 VanDerWaalsContact O-N 3.14Å; Y182-Q184 PolarHBondContact O-N 3.38Å; Y182-G185 PolarHBondContact O-N 3.44Å; Y182-L210 HydrophobicContact CD2-CD1 4.08Å; Y182-V213 HydrophobicContact CD1-CG2 4.07Å; Y182-V213 HydrophobicContact CD2-CG2 4.37Å; Y182-V213 HydrophobicContact CG-CG2 3.95Å; Y182-Y282 AromaticContact CD1-CE2 3.68Å; Y182-Y282 HydrophobicContact CD1-CE2 3.68Å; Y182-Y282 AromaticContact CD1-CZ 3.69Å; Y182-Y282 WeakPolarHBondContact CD1-OH 3.45Å; Y182-Y282 HydrophobicContact CE1-CD1 4.46Å; Y182-Y282 HydrophobicContact CE1-CD2 4.27Å; Y182-Y282 AromaticContact CE1-CE1 3.9Å; Y182-Y282 HydrophobicContact CE1-CE1 3.9Å; Y182-Y282 AromaticContact CE1-CE2 3.67Å; Y182-Y282 HydrophobicContact CE1-CE2 3.67Å; Y182-Y282 AromaticContact CE1-CZ 3.44Å; Y182-Y282 VanDerWaalsContact CE1-CZ 3.44Å; Y182-Y282 WeakPolarHBondContact CE1-OH 3.48Å; Y182-L291 HydrophobicContact CE1-CD2 4.16Å; Y182-L291 HydrophobicContact CE2-CD2 4.14Å; Y182-L291 VanDerWaalsContact OH-CD2 3.32Å; Y182-L291 WeakPolarHBondContact OH-CD2 3.33Å; Y182-T292 HydrophobicContact CE2-CG2 4.17Å; Y182-T292 PolarHBondContact OH-N 2.78Å; Y182-A295 HydrophobicContact CD2-CB 4.15Å; Y182-A295 HydrophobicContact CE2-CB 3.66Å
183Q96.2Very high95.2Very high96 Ų9640 Ų4045%0.44921%0.205SC..G310 helixtrans-63.3-28-178.5-62.2178.2-6.900112.2N180 L181 T292N180-Q183 WeakPolarHBondContact O-CB 3.32Å; N180-Q183 VanDerWaalsContact O-CG 3.31Å; N180-Q183 WeakPolarHBondContact O-CG 3.47Å; N180-Q183 PolarHBondContact O-N 2.84Å; L181-Q183 PolarHBondContact O-N 3.04Å; L181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-T292 HydrophobicContact CB-CG2 4.37Å; Q183-T292 HydrophobicContact CG-CG2 3.83Å
184Q94.8Very high94.9Very high133 Ų13338.3 Ų38.362%0.62120%0.199SC*.G310 helixtrans-97.74178.1-59.1176.323.300112.6L181 Y182 N206L181-Q184 PolarHBondContact O-N 2.83Å; L181-Q184 VanDerWaalsContact O-N 3.07Å; Y182-Q184 PolarHBondContact O-N 3.38Å; Q184-N206 WeakPolarHBondContact CB-ND2 3.34Å
185G94.3Very high94.6Very high1 Ų144.2 Ų44.21%0.0122%0.221CC..  trans-87.4152.117700000111.4L181 Y182 L210 K294L181-G185 PolarHBondContact O-N 3.26Å; Y182-G185 PolarHBondContact O-N 3.44Å; G185-L210 VanDerWaalsContact O-CD2 3.23Å; G185-L210 WeakPolarHBondContact O-CD2 3.22Å; G185-K294 WeakPolarHBondContact O-CE 3.41Å; G185-K294 PolarHBondContact O-NZ 2.94Å
186D94.9Very high94.2Very high108 Ų10847 Ų4758%0.57825%0.25SS*.  trans-129.4146.7167.1-69.2-58.1000108Q207 K294D186-Q207 WeakPolarHBondContact O-CB 3.09Å; D186-Q207 WeakPolarHBondContact O-CG 3.26Å; D186-Q207 PolarHBondContact O-OE1 3.37Å; D186-K294 IonicContact OD1-NZ 3.25Å; D186-K294 PolarHBondContact OD1-NZ 3.09Å; D186-K294 IonicContact OD2-NZ 3.05Å
187I95.1Very high93.9Very high23 Ų2356.6 Ų56.612%0.11830%0.295CS..  trans-108117.4179.8-66.8-77.9000108.3V189 L192 Q207 L210 A211 L214 L300 L304I187-V189 HydrophobicContact CG2-CG1 3.55Å; I187-L192 HydrophobicContact CD1-CD2 4.43Å; I187-L192 HydrophobicContact CG2-CD2 4.17Å; I187-Q207 HydrophobicContact CD1-CG 3.73Å; I187-L210 HydrophobicContact CD1-CG 4.48Å; I187-L210 HydrophobicContact CG1-CB 4.44Å; I187-L210 HydrophobicContact CG1-CD2 3.77Å; I187-L210 HydrophobicContact CG1-CG 3.87Å; I187-A211 HydrophobicContact CD1-CB 3.73Å; I187-L214 HydrophobicContact CG1-CD1 3.81Å; I187-L300 HydrophobicContact CB-CD1 4.08Å; I187-L300 HydrophobicContact CB-CD2 4.31Å; I187-L300 HydrophobicContact CB-CG 4.46Å; I187-L300 HydrophobicContact CG2-CD1 3.9Å; I187-L304 HydrophobicContact CD1-CD1 4.24Å; I187-L304 HydrophobicContact CD1-CD2 4.38Å; I187-L304 HydrophobicContact CG2-CD1 4.23Å
188D91.3Very high93.6Very high68 Ų6860.5 Ų60.536%0.36431%0.313SS..  trans-10097.9160.2-174.2-6.2000108.3N190 N191 L192D188-N190 PolarHBondContact O-N 2.83Å; D188-N190 VanDerWaalsContact O-N 3.14Å; D188-N190 PolarHBondContact OD1-N 3.02Å; D188-N191 HydrophobicContact CB-CB 4.27Å; D188-N191 CarbonylContact O-C 3.55Å; D188-N191 PolarHBondContact O-N 3.35Å; D188-N191 PolarHBondContact OD1-N 2.81Å; D188-N191 WeakPolarHBondContact OD2-CB 3.35Å; D188-L192 PolarHBondContact O-N 3.04Å
189V92.2Very high93.4Very high31 Ų3162.2 Ų62.219%0.18832%0.319CS..THydrogen-bonded Turntrans-60.6-22.9-179.1-63.80000112.9I187 N191 L300 K303 L304I187-V189 HydrophobicContact CG2-CG1 3.55Å; V189-N191 VanDerWaalsContact C-N 3.35Å; V189-L300 HydrophobicContact CG1-CD1 4.13Å; V189-K303 HydrophobicContact CB-CB 4.5Å; V189-K303 HydrophobicContact CG1-CB 3.93Å; V189-K303 HydrophobicContact CG2-CB 4.36Å; V189-K303 HydrophobicContact CG2-CD 4.49Å; V189-L304 HydrophobicContact CG1-CB 4.38Å
190N90Very high93.3Very high152 Ų15262.7 Ų62.781%0.81333%0.326SS*.THydrogen-bonded Turntrans-86.9-9176.4-57.7-48.7000112.3D188D188-N190 PolarHBondContact O-N 2.83Å; D188-N190 VanDerWaalsContact O-N 3.14Å; D188-N190 PolarHBondContact OD1-N 3.02Å
191N93.3Very high93.3Very high34 Ų3461.6 Ų61.618%0.18232%0.323CS..  trans-145.854.8-178.6-168.921000113.3D188 V189 N193 L194 Q198D188-N191 HydrophobicContact CB-CB 4.27Å; D188-N191 CarbonylContact O-C 3.55Å; D188-N191 PolarHBondContact O-N 3.35Å; D188-N191 PolarHBondContact OD1-N 2.81Å; D188-N191 WeakPolarHBondContact OD2-CB 3.35Å; V189-N191 VanDerWaalsContact C-N 3.35Å; N191-N193 PolarHBondContact O-N 3.49Å; N191-N193 VanDerWaalsContact O-N 3.14Å; N191-L194 PolarHBondContact O-N 3.11Å; N191-L194 PolarHBondContact OD1-N 3.43Å; N191-Q198 PolarHBondContact ND2-OE1 3.21Å
192L95.6Very high93.2Very high3 Ų363.3 Ų63.32%0.01633%0.329CS..THydrogen-bonded Turntrans-62.1-20.8176.3-66.6176000113.3M148 I187 D188 Q207 L304 A307 M311M148-L192 HydrophobicContact CE-CB 4.43Å; M148-L192 HydrophobicContact CE-CD2 4.06Å; M148-L192 HydrophobicContact CG-CB 4.21Å; I187-L192 HydrophobicContact CD1-CD2 4.43Å; I187-L192 HydrophobicContact CG2-CD2 4.17Å; D188-L192 PolarHBondContact O-N 3.04Å; L192-Q207 PolarHBondContact O-NE2 3.33Å; L192-L304 HydrophobicContact CD1-CD1 3.97Å; L192-L304 HydrophobicContact CD2-CD1 3.83Å; L192-A307 HydrophobicContact CD1-CB 4.35Å; L192-M311 HydrophobicContact CB-SD 4.31Å; L192-M311 HydrophobicContact CD1-SD 3.75Å
193N95.8Very high93.1Very high22 Ų2268.4 Ų68.412%0.11835%0.351CS..THydrogen-bonded Turntrans-86.1-9.6-178.6-70.1-50.8000114.9F144 E145 N191 R195F144-N193 VanDerWaalsContact CA-OD1 3.22Å; F144-N193 WeakPolarHBondContact CA-OD1 3.33Å; E145-N193 HydrophobicContact CB-CB 4.29Å; E145-N193 WeakPolarHBondContact CB-O 3.33Å; E145-N193 WeakPolarHBondContact CG-O 3.24Å; E145-N193 PolarHBondContact N-OD1 2.95Å; N191-N193 PolarHBondContact O-N 3.49Å; N191-N193 VanDerWaalsContact O-N 3.14Å; N193-R195 HydrophobicContact CB-CG 4.14Å; N193-R195 PolarHBondContact O-N 3.02Å; N193-R195 VanDerWaalsContact O-N 3.09Å
194L91.8Very high93Very high4 Ų463.9 Ų63.92%0.02133%0.33CS..  trans37.257.4176.5-63.6-178.9000114.9N191 Y199 K203 A204 Q207N191-L194 PolarHBondContact O-N 3.11Å; N191-L194 PolarHBondContact OD1-N 3.43Å; L194-Y199 HydrophobicContact CB-CD2 4.42Å; L194-Y199 WeakPolarHBondContact O-CA 3.4Å; L194-Y199 VanDerWaalsContact O-CB 3.25Å; L194-Y199 WeakPolarHBondContact O-CB 3.33Å; L194-K203 HydrophobicContact CD1-CD 4.38Å; L194-K203 HydrophobicContact CD1-CG 4.14Å; L194-A204 HydrophobicContact CD1-CB 4.04Å; L194-Q207 VanDerWaalsContact CG-NE2 3.28Å
195R92.7Very high93Very high124 Ų12458.7 Ų58.747%0.46831%0.305SS..  trans-77.2156-176.9-55.5-155.6170.6110.8-3.2113Y137 E139 G143 N193 Q198Y137-R195 HydrophobicContact CE2-CG 4.34Å; Y137-R195 WeakPolarHBondContact OH-CD 3.02Å; Y137-R195 VanDerWaalsContact OH-CG 3.29Å; Y137-R195 WeakPolarHBondContact OH-CG 3.3Å; Y137-R195 PolarHBondContact OH-NE 3.45Å; E139-R195 IonicContact OE1-CZ 2.82Å; E139-R195 IonicContact OE1-NE 2.93Å; E139-R195 PolarHBondContact OE1-NE 2.95Å; E139-R195 VanDerWaalsContact OE1-NE 3.12Å; E139-R195 IonicContact OE1-NH2 3.99Å; G143-R195 PolarHBondContact O-NH2 3.48Å; N193-R195 HydrophobicContact CB-CG 4.14Å; N193-R195 PolarHBondContact O-N 3.02Å; N193-R195 VanDerWaalsContact O-N 3.09Å; R195-Q198 PolarHBondContact O-N 3.17Å
196G91.5Very high93Very high59 Ų5959.2 Ų59.261%0.60831%0.307SS*.G310 helixtrans63.6-136.2170.700000113.5Q198 Y199G196-Q198 PolarHBondContact O-N 2.78Å; G196-Q198 VanDerWaalsContact O-N 3.08Å; G196-Y199 WeakPolarHBondContact O-CB 3.31Å; G196-Y199 PolarHBondContact O-N 3.45Å
197E92.3Very high93.1Very high204 Ų20454.2 Ų54.295%0.95328%0.281SS*.G310 helixtrans-62-16.5-178.5-61.7-175168.400113.8Y199E197-Y199 VanDerWaalsContact C-N 3.28Å
198Q90.8Very high93.2Very high99 Ų9953.1 Ų53.146%0.46328%0.275SS..G310 helixtrans-79.1-14.2178.1-54.7-170.539.800113N191 R195 G196 K203N191-Q198 PolarHBondContact ND2-OE1 3.21Å; R195-Q198 PolarHBondContact O-N 3.17Å; G196-Q198 PolarHBondContact O-N 2.78Å; G196-Q198 VanDerWaalsContact O-N 3.08Å; Q198-K203 PolarHBondContact O-NZ 3.36Å
199Y94.1Very high93.5Very high36 Ų3650.3 Ų50.314%0.14126%0.26CS..  trans-74.8126.5-179.7-171-105.3000111.3T135 S136 Y137 E145 Q147 L194 G196 E197 P201 A204T135-Y199 WeakPolarHBondContact O-CE1 3.43Å; T135-Y199 PolarHBondContact O-OH 3.24Å; S136-Y199 PolarHBondContact O-OH 3.45Å; Y137-Y199 HydrophobicContact CD2-CD1 4.37Å; Y137-Y199 AromaticContact CD2-CD2 3.53Å; Y137-Y199 HydrophobicContact CD2-CD2 3.53Å; Y137-Y199 AromaticContact CD2-CE2 3.9Å; Y137-Y199 HydrophobicContact CD2-CE2 3.9Å; Y137-Y199 AromaticContact CD2-CG 3.76Å; Y137-Y199 HydrophobicContact CD2-CG 3.76Å; Y137-Y199 HydrophobicContact CE2-CD2 4.35Å; Y137-Y199 HydrophobicContact CG-CD2 4.44Å; Y137-Y199 HydrophobicContact CG-CG 4.37Å; Y137-Y199 VanDerWaalsContact N-CE1 3.26Å; E145-Y199 HydrophobicContact CG-CD2 4.28Å; E145-Y199 HydrophobicContact CG-CE2 3.89Å; Q147-Y199 PolarHBondContact NE2-OH 3.18Å; L194-Y199 HydrophobicContact CB-CD2 4.42Å; L194-Y199 WeakPolarHBondContact O-CA 3.4Å; L194-Y199 VanDerWaalsContact O-CB 3.25Å; L194-Y199 WeakPolarHBondContact O-CB 3.33Å; G196-Y199 WeakPolarHBondContact O-CB 3.31Å; G196-Y199 PolarHBondContact O-N 3.45Å; E197-Y199 VanDerWaalsContact C-N 3.28Å; Y199-P201 HydrophobicContact CE1-CG 4.02Å; Y199-A204 HydrophobicContact CD2-CB 4.06Å; Y199-A204 HydrophobicContact CE2-CB 3.49Å; Y199-A204 VanDerWaalsContact CE2-CB 3.49Å
200G91.9Very high93.8Very high19 Ų1948.9 Ų48.920%0.19625%0.251CS..  trans-131.9133.2162.400000108.2F202 K203 A204G200-F202 PolarHBondContact O-N 3.43Å; G200-K203 WeakPolarHBondContact O-CA 3.33Å; G200-K203 WeakPolarHBondContact O-CB 3.25Å; G200-K203 PolarHBondContact O-N 3.4Å; G200-A204 PolarHBondContact O-N 3.05Å
201P91.5Very high94.2Very high50 Ų5041.6 Ų41.633%0.32521%0.212SC..Hα-helixtrans-51.8-50.1-176.4-29.834.7000113.7A134 T135 Q147 Y199 Y205A134-P201 WeakPolarHBondContact CA-O 3.4Å; A134-P201 HydrophobicContact CB-CB 3.93Å; T135-P201 WeakPolarHBondContact O-CB 3.44Å; Q147-P201 PolarHBondContact NE2-O 3.03Å; Y199-P201 HydrophobicContact CE1-CG 4.02Å; P201-Y205 PolarHBondContact O-N 3.36Å; P201-Y205 VanDerWaalsContact O-N 3.09Å
202F91.3Very high94.4Very high62 Ų6240 Ų4027%0.27220%0.204SC..Hα-helixtrans-72.8-31.8175.8-77.5-74.7000113.1A134 G200 Y205 N206 T245 Y250A134-F202 HydrophobicContact CB-CD1 3.96Å; A134-F202 HydrophobicContact CB-CD2 4.27Å; A134-F202 HydrophobicContact CB-CE1 3.95Å; A134-F202 HydrophobicContact CB-CE2 4.26Å; A134-F202 HydrophobicContact CB-CG 4.12Å; A134-F202 HydrophobicContact CB-CZ 4.11Å; G200-F202 PolarHBondContact O-N 3.43Å; F202-Y205 PolarHBondContact O-N 2.71Å; F202-N206 VanDerWaalsContact O-CB 3.29Å; F202-N206 WeakPolarHBondContact O-CB 3.47Å; F202-N206 PolarHBondContact O-N 3.32Å; F202-N206 PolarHBondContact O-OD1 3.06Å; F202-N206 VanDerWaalsContact O-OD1 3.1Å; F202-T245 HydrophobicContact CZ-CG2 4.2Å; F202-Y250 HydrophobicContact CE1-CD2 4.31Å; F202-Y250 HydrophobicContact CE1-CE1 4.36Å; F202-Y250 HydrophobicContact CE1-CE2 4.11Å; F202-Y250 AromaticContact CZ-CD1 3.97Å; F202-Y250 HydrophobicContact CZ-CD1 3.97Å; F202-Y250 AromaticContact CZ-CD2 3.91Å; F202-Y250 HydrophobicContact CZ-CD2 3.91Å; F202-Y250 HydrophobicContact CZ-CE1 4.22Å; F202-Y250 HydrophobicContact CZ-CE2 4.17Å; F202-Y250 AromaticContact CZ-CG 3.8Å; F202-Y250 HydrophobicContact CZ-CG 3.8Å
203K93.9Very high94.6Very high109 Ų10940 Ų4047%0.47420%0.203SC..Hα-helixtrans-62-48.4175.9-178.4-176.2171.7-167.40110.7L194 Q198 G200 N206 Q207L194-K203 HydrophobicContact CD1-CD 4.38Å; L194-K203 HydrophobicContact CD1-CG 4.14Å; Q198-K203 PolarHBondContact O-NZ 3.36Å; G200-K203 WeakPolarHBondContact O-CA 3.33Å; G200-K203 WeakPolarHBondContact O-CB 3.25Å; G200-K203 PolarHBondContact O-N 3.4Å; K203-N206 PolarHBondContact O-N 3.38Å; K203-Q207 WeakPolarHBondContact O-CB 3.35Å; K203-Q207 PolarHBondContact O-N 3.36Å
204A94.7Very high94.7Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-63-42.9175.700000111.8L194 Y199 G200 Q207 S208L194-A204 HydrophobicContact CD1-CB 4.04Å; Y199-A204 HydrophobicContact CD2-CB 4.06Å; Y199-A204 HydrophobicContact CE2-CB 3.49Å; Y199-A204 VanDerWaalsContact CE2-CB 3.49Å; G200-A204 PolarHBondContact O-N 3.05Å; A204-Q207 PolarHBondContact O-N 3.04Å; A204-S208 PolarHBondContact O-N 2.99Å
205Y94.2Very high95Very high25 Ų2538.8 Ų38.810%0.09820%0.197CC..Hα-helixtrans-58.5-54174.8-173-117.1000112.1M132 M133 L181 P201 F202 Q207 S208 K209M132-Y205 VanDerWaalsContact O-CD2 3.31Å; M132-Y205 WeakPolarHBondContact O-CD2 3.41Å; M132-Y205 WeakPolarHBondContact O-CE2 3.43Å; M133-Y205 HydrophobicContact CB-CD2 3.93Å; M133-Y205 HydrophobicContact CB-CE2 3.68Å; M133-Y205 HydrophobicContact CG-CD1 3.86Å; M133-Y205 HydrophobicContact CG-CD2 3.75Å; M133-Y205 HydrophobicContact CG-CE1 3.73Å; M133-Y205 HydrophobicContact CG-CE2 3.63Å; M133-Y205 HydrophobicContact CG-CG 3.85Å; M133-Y205 HydrophobicContact SD-CD1 4.37Å; M133-Y205 HydrophobicContact SD-CE1 3.77Å; M133-Y205 HydrophobicContact SD-CE2 4.36Å; L181-Y205 HydrophobicContact CB-CE1 4.49Å; L181-Y205 HydrophobicContact CD1-CD1 3.99Å; L181-Y205 HydrophobicContact CD1-CE1 3.82Å; P201-Y205 PolarHBondContact O-N 3.36Å; P201-Y205 VanDerWaalsContact O-N 3.09Å; F202-Y205 PolarHBondContact O-N 2.71Å; Y205-Q207 VanDerWaalsContact C-N 3.3Å; Y205-Q207 PolarHBondContact O-N 3.01Å; Y205-S208 PolarHBondContact O-N 3.5Å; Y205-S208 VanDerWaalsContact O-N 3.09Å; Y205-S208 PolarHBondContact O-OG 3.41Å; Y205-K209 HydrophobicContact CD1-CG 4.4Å; Y205-K209 HydrophobicContact CD2-CG 4.34Å; Y205-K209 HydrophobicContact CE1-CG 4.03Å; Y205-K209 HydrophobicContact CE2-CD 4.21Å; Y205-K209 HydrophobicContact CE2-CG 3.96Å; Y205-K209 WeakPolarHBondContact O-CG 3.45Å; Y205-K209 PolarHBondContact O-N 3.13Å; Y205-K209 WeakPolarHBondContact OH-CE 3.31Å
206N95.1Very high95.3Very high11 Ų1132.9 Ų32.96%0.05918%0.175CC..Hα-helixtrans-61.5-40.2-177.9-64.1-0.8000111.1L181 Q184 F202 K203 K209 L210L181-N206 WeakPolarHBondContact CB-OD1 3.43Å; Q184-N206 WeakPolarHBondContact CB-ND2 3.34Å; F202-N206 VanDerWaalsContact O-CB 3.29Å; F202-N206 WeakPolarHBondContact O-CB 3.47Å; F202-N206 PolarHBondContact O-N 3.32Å; F202-N206 PolarHBondContact O-OD1 3.06Å; F202-N206 VanDerWaalsContact O-OD1 3.1Å; K203-N206 PolarHBondContact O-N 3.38Å; N206-K209 PolarHBondContact O-N 3.43Å; N206-L210 PolarHBondContact O-N 3.19Å
207Q97Very high95.6Very high4 Ų432 Ų322%0.01915%0.153CC..Hα-helixtrans-59.1-48.9172.7-179173.6-127.100110.9M148 D186 I187 L192 L194 K203 A204 Y205 K209 L210 A211M148-Q207 HydrophobicContact CE-CB 4.44Å; M148-Q207 HydrophobicContact CE-CG 3.63Å; D186-Q207 WeakPolarHBondContact O-CB 3.09Å; D186-Q207 WeakPolarHBondContact O-CG 3.26Å; D186-Q207 PolarHBondContact O-OE1 3.37Å; I187-Q207 HydrophobicContact CD1-CG 3.73Å; L192-Q207 PolarHBondContact O-NE2 3.33Å; L194-Q207 VanDerWaalsContact CG-NE2 3.28Å; K203-Q207 WeakPolarHBondContact O-CB 3.35Å; K203-Q207 PolarHBondContact O-N 3.36Å; A204-Q207 PolarHBondContact O-N 3.04Å; Y205-Q207 VanDerWaalsContact C-N 3.3Å; Y205-Q207 PolarHBondContact O-N 3.01Å; Q207-K209 VanDerWaalsContact C-N 3.27Å; Q207-K209 PolarHBondContact O-N 3.22Å; Q207-L210 PolarHBondContact O-N 3.44Å; Q207-A211 WeakPolarHBondContact O-CB 3.43Å; Q207-A211 PolarHBondContact O-N 3.06Å
208S97.2Very high95.9Very high0 Ų022.6 Ų22.60%011%0.109CC..Hα-helixtrans-61-35.117978.40000112.9N151 A204 Y205 A211 N212N151-S208 PolarHBondContact ND2-OG 3.22Å; A204-S208 PolarHBondContact O-N 2.99Å; Y205-S208 PolarHBondContact O-N 3.5Å; Y205-S208 VanDerWaalsContact O-N 3.09Å; Y205-S208 PolarHBondContact O-OG 3.41Å; S208-A211 WeakPolarHBondContact O-CB 3.44Å; S208-A211 PolarHBondContact O-N 3.36Å; S208-N212 PolarHBondContact O-N 3Å
209K96.9Very high96.2Very high9 Ų917.9 Ų17.94%0.0399%0.087CC..Hα-helixtrans-77.5-32.1179-62.7-55.6-177.6-174.60113I177 Y205 N206 Q207 A211 V213I177-K209 PolarHBondContact O-NZ 3.26Å; Y205-K209 HydrophobicContact CD1-CG 4.4Å; Y205-K209 HydrophobicContact CD2-CG 4.34Å; Y205-K209 HydrophobicContact CE1-CG 4.03Å; Y205-K209 HydrophobicContact CE2-CD 4.21Å; Y205-K209 HydrophobicContact CE2-CG 3.96Å; Y205-K209 WeakPolarHBondContact O-CG 3.45Å; Y205-K209 PolarHBondContact O-N 3.13Å; Y205-K209 WeakPolarHBondContact OH-CE 3.31Å; N206-K209 PolarHBondContact O-N 3.43Å; Q207-K209 VanDerWaalsContact C-N 3.27Å; Q207-K209 PolarHBondContact O-N 3.22Å; K209-A211 VanDerWaalsContact C-N 3.35Å; K209-V213 PolarHBondContact O-N 2.88Å
210L98Very high96.4Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-66.1-39.8165.9177.957.5000111.4Y182 G185 I187 N206 Q207 N212 V213 L214 K294 A295Y182-L210 HydrophobicContact CD2-CD1 4.08Å; G185-L210 VanDerWaalsContact O-CD2 3.23Å; G185-L210 WeakPolarHBondContact O-CD2 3.22Å; I187-L210 HydrophobicContact CD1-CG 4.48Å; I187-L210 HydrophobicContact CG1-CB 4.44Å; I187-L210 HydrophobicContact CG1-CD2 3.77Å; I187-L210 HydrophobicContact CG1-CG 3.87Å; N206-L210 PolarHBondContact O-N 3.19Å; Q207-L210 PolarHBondContact O-N 3.44Å; L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 2.96Å; L210-V213 PolarHBondContact O-N 3.05Å; L210-L214 HydrophobicContact CD1-CD1 4.01Å; L210-L214 HydrophobicContact CD1-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 3.86Å; L210-L214 HydrophobicContact CG-CG 4.36Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 2.87Å; L210-K294 HydrophobicContact CD1-CG 4.46Å; L210-K294 HydrophobicContact CD2-CD 3.83Å; L210-K294 HydrophobicContact CD2-CG 3.95Å; L210-A295 HydrophobicContact CD1-CB 4.16Å
211A98.5Very high96.6Very high0 Ų019.9 Ų19.90%09%0.094CC..Hα-helixtrans-59-42.4177.100000111.6M148 H152 I187 Q207 S208 K209 V213 L214 Y215 L304M148-A211 HydrophobicContact CE-CB 4.31Å; M148-A211 HydrophobicContact SD-CB 4.31Å; H152-A211 HydrophobicContact CB-CB 4.25Å; H152-A211 PolarHBondContact CE1-O 3.47Å; H152-A211 WeakPolarHBondContact ND1-CB 3.21Å; H152-A211 PolarHBondContact ND1-O 3.44Å; I187-A211 HydrophobicContact CD1-CB 3.73Å; Q207-A211 WeakPolarHBondContact O-CB 3.43Å; Q207-A211 PolarHBondContact O-N 3.06Å; S208-A211 WeakPolarHBondContact O-CB 3.44Å; S208-A211 PolarHBondContact O-N 3.36Å; K209-A211 VanDerWaalsContact C-N 3.35Å; A211-V213 PolarHBondContact O-N 2.65Å; A211-L214 PolarHBondContact O-N 2.85Å; A211-Y215 VanDerWaalsContact O-CB 3.27Å; A211-Y215 WeakPolarHBondContact O-CB 3.41Å; A211-Y215 PolarHBondContact O-N 2.96Å; A211-L304 HydrophobicContact CB-CD1 4.28Å; A211-L304 HydrophobicContact CB-CD2 3.82Å; A211-L304 WeakPolarHBondContact O-CD2 3.4Å
212N98.5Very high96.8Very high1 Ų120.4 Ų20.41%0.0059%0.092CC..Hα-helixtrans-56.5-47.6173.9-68.3161.3000113.2N151 V176 A178 S208 L210 Y215 V216N151-N212 PolarHBondContact O-ND2 2.97Å; V176-N212 HydrophobicContact CG1-CB 3.77Å; A178-N212 HydrophobicContact CB-CB 4.19Å; S208-N212 PolarHBondContact O-N 3Å; L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 2.96Å; N212-Y215 PolarHBondContact O-N 3.41Å; N212-V216 WeakPolarHBondContact O-CB 3.48Å; N212-V216 WeakPolarHBondContact O-CG2 3.38Å; N212-V216 PolarHBondContact O-N 2.82Å
213V98.6Very high97Very high1 Ų117.7 Ų17.71%0.0068%0.08CC..Hα-helixtrans-65.2-46.1-178.4176.80000110.9A178 Y182 K209 L210 A211 V216 R217 A232 Y282 L291 A295A178-V213 HydrophobicContact CB-CG2 4Å; Y182-V213 HydrophobicContact CD1-CG2 4.07Å; Y182-V213 HydrophobicContact CD2-CG2 4.37Å; Y182-V213 HydrophobicContact CG-CG2 3.95Å; K209-V213 PolarHBondContact O-N 2.88Å; L210-V213 PolarHBondContact O-N 3.05Å; A211-V213 PolarHBondContact O-N 2.65Å; V213-V216 PolarHBondContact O-N 3.09Å; V213-R217 WeakPolarHBondContact O-CG 3.35Å; V213-R217 PolarHBondContact O-N 2.87Å; V213-A232 HydrophobicContact CG2-CB 4.38Å; V213-Y282 HydrophobicContact CG2-CD2 3.82Å; V213-Y282 HydrophobicContact CG2-CE2 3.85Å; V213-L291 HydrophobicContact CG1-CD1 3.79Å; V213-L291 HydrophobicContact CG1-CD2 3.57Å; V213-L291 HydrophobicContact CG1-CG 4.35Å; V213-A295 HydrophobicContact CG1-CB 3.88Å
214L98.5Very high97.1Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-63.1-42.3177.9-71.3169.3000111.8I187 L210 A211 R217 E218 L300 L304I187-L214 HydrophobicContact CG1-CD1 3.81Å; L210-L214 HydrophobicContact CD1-CD1 4.01Å; L210-L214 HydrophobicContact CD1-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 3.86Å; L210-L214 HydrophobicContact CG-CG 4.36Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 2.87Å; A211-L214 PolarHBondContact O-N 2.85Å; L214-R217 PolarHBondContact O-N 3.32Å; L214-E218 PolarHBondContact O-N 2.97Å; L214-L300 HydrophobicContact CD1-CD2 3.95Å; L214-L300 HydrophobicContact CD1-CG 3.98Å; L214-L304 HydrophobicContact CB-CD2 3.64Å; L214-L304 HydrophobicContact CD1-CD2 3.98Å; L214-L304 HydrophobicContact CG-CD2 4.49Å
215Y98.5Very high97.1Very high2 Ų222.1 Ų22.11%0.00812%0.124CC..Hα-helixtrans-63-46.4176.7166.6-112000112.5V156 T159 A211 N212 R217 E218 L219 W305V156-Y215 HydrophobicContact CB-CE2 4.33Å; V156-Y215 HydrophobicContact CG1-CE2 4.28Å; V156-Y215 HydrophobicContact CG2-CD1 4.28Å; V156-Y215 HydrophobicContact CG2-CD2 3.78Å; V156-Y215 HydrophobicContact CG2-CE1 4.2Å; V156-Y215 HydrophobicContact CG2-CE2 3.72Å; V156-Y215 HydrophobicContact CG2-CG 4.06Å; T159-Y215 VanDerWaalsContact CB-OH 3.28Å; T159-Y215 WeakPolarHBondContact CB-OH 3.4Å; T159-Y215 WeakPolarHBondContact CG2-OH 3.39Å; A211-Y215 VanDerWaalsContact O-CB 3.27Å; A211-Y215 WeakPolarHBondContact O-CB 3.41Å; A211-Y215 PolarHBondContact O-N 2.96Å; N212-Y215 PolarHBondContact O-N 3.41Å; Y215-R217 PolarHBondContact O-N 3.43Å; Y215-E218 PolarHBondContact O-N 3.33Å; Y215-L219 HydrophobicContact CE1-CD2 4.08Å; Y215-L219 HydrophobicContact CE2-CB 4.41Å; Y215-L219 WeakPolarHBondContact O-CB 3.33Å; Y215-L219 PolarHBondContact O-N 3.5Å; Y215-W305 AromaticContact CD2-CE3 3.63Å; Y215-W305 HydrophobicContact CD2-CE3 3.63Å; Y215-W305 AromaticContact CD2-CZ3 3.65Å; Y215-W305 HydrophobicContact CD2-CZ3 3.65Å; Y215-W305 AromaticContact CE2-CE3 3.78Å; Y215-W305 HydrophobicContact CE2-CE3 3.78Å; Y215-W305 HydrophobicContact CE2-CH2 4.23Å; Y215-W305 AromaticContact CE2-CZ3 3.35Å; Y215-W305 HydrophobicContact CE2-CZ3 3.35Å
216V98.5Very high97.2Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-57.5-39.8177.1157.70000111.6V176 N212 V213 A220 P230 A232V176-V216 HydrophobicContact CB-CG2 3.82Å; V176-V216 HydrophobicContact CG2-CG2 3.57Å; N212-V216 WeakPolarHBondContact O-CB 3.48Å; N212-V216 WeakPolarHBondContact O-CG2 3.38Å; N212-V216 PolarHBondContact O-N 2.82Å; V213-V216 PolarHBondContact O-N 3.09Å; V216-A220 WeakPolarHBondContact O-CB 3.43Å; V216-A220 PolarHBondContact O-N 3.01Å; V216-P230 HydrophobicContact CG1-CB 4.33Å; V216-A232 HydrophobicContact CB-CB 4.28Å; V216-A232 HydrophobicContact CG1-CB 4.15Å; V216-A232 HydrophobicContact CG2-CB 4.18Å
217R98.3Very high97.2Very high39 Ų3929 Ų2915%0.14716%0.155CC..Hα-helixtrans-68.1-43.5176.8-72.2-174.670.3-124.4-1112.9V213 L214 Y215 A220 K221 L291 A295 L296V213-R217 WeakPolarHBondContact O-CG 3.35Å; V213-R217 PolarHBondContact O-N 2.87Å; L214-R217 PolarHBondContact O-N 3.32Å; Y215-R217 PolarHBondContact O-N 3.43Å; R217-A220 WeakPolarHBondContact O-CB 3.48Å; R217-A220 PolarHBondContact O-N 2.77Å; R217-K221 PolarHBondContact O-N 3.49Å; R217-L291 HydrophobicContact CG-CD1 4.27Å; R217-A295 VanDerWaalsContact CD-O 3.25Å; R217-A295 WeakPolarHBondContact CD-O 3.43Å; R217-A295 PolarHBondContact NH1-O 2.86Å; R217-L296 PolarHBondContact NH1-O 3.28Å; R217-L296 PolarHBondContact NH2-O 3.34Å
218E97.9Very high97.2Very high8 Ų829 Ų294%0.03716%0.156CC..Hα-helixtrans-69.2-41.1178.8-160.865.4-165.900111.1L214 Y215 A220 K221 H222 S301 R302 W305L214-E218 PolarHBondContact O-N 2.97Å; Y215-E218 PolarHBondContact O-N 3.33Å; E218-A220 PolarHBondContact O-N 3.36Å; E218-K221 WeakPolarHBondContact O-CB 3.36Å; E218-K221 PolarHBondContact O-N 2.98Å; E218-K221 IonicContact OE1-NZ 3.56Å; E218-K221 IonicContact OE2-NZ 2.72Å; E218-K221 PolarHBondContact OE2-NZ 2.97Å; E218-H222 PolarHBondContact O-CD2 2.97Å; E218-H222 VanDerWaalsContact O-CD2 3.26Å; E218-H222 PolarHBondContact O-N 3.35Å; E218-S301 WeakPolarHBondContact OE2-CB 3.07Å; E218-S301 PolarHBondContact OE2-OG 3.24Å; E218-R302 WeakPolarHBondContact OE1-CD 3.4Å; E218-W305 HydrophobicContact CB-CB 4.27Å; E218-W305 HydrophobicContact CB-CD2 4.29Å; E218-W305 HydrophobicContact CB-CE3 3.8Å; E218-W305 HydrophobicContact CG-CB 3.73Å; E218-W305 HydrophobicContact CG-CD2 3.85Å; E218-W305 HydrophobicContact CG-CE3 3.88Å; E218-W305 HydrophobicContact CG-CG 3.81Å
219L97.5Very high97.3Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-55.5-41.6173-173.359.8000111.3T159 V174 Y215 K221 H222 L223 P230 W305T159-L219 HydrophobicContact CG2-CD2 3.9Å; V174-L219 HydrophobicContact CG1-CD2 4.43Å; Y215-L219 HydrophobicContact CE1-CD2 4.08Å; Y215-L219 HydrophobicContact CE2-CB 4.41Å; Y215-L219 WeakPolarHBondContact O-CB 3.33Å; Y215-L219 PolarHBondContact O-N 3.5Å; L219-K221 VanDerWaalsContact C-N 3.27Å; L219-K221 PolarHBondContact O-N 3.04Å; L219-H222 PolarHBondContact O-N 3.41Å; L219-H222 VanDerWaalsContact O-N 3.15Å; L219-L223 HydrophobicContact CD1-CD1 3.64Å; L219-L223 HydrophobicContact CD1-CG 3.96Å; L219-L223 HydrophobicContact CD2-CD1 4.23Å; L219-L223 HydrophobicContact CG-CD1 3.6Å; L219-L223 HydrophobicContact CG-CG 4.22Å; L219-L223 WeakPolarHBondContact O-CB 3.16Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.46Å; L219-L223 PolarHBondContact O-N 3.44Å; L219-P230 HydrophobicContact CB-CB 4.3Å; L219-P230 HydrophobicContact CB-CG 4.15Å; L219-P230 HydrophobicContact CD2-CB 3.64Å; L219-P230 HydrophobicContact CD2-CG 4.19Å; L219-P230 HydrophobicContact CG-CB 4.02Å; L219-P230 HydrophobicContact CG-CG 4Å; L219-W305 VanDerWaalsContact CA-CZ3 3.49Å; L219-W305 HydrophobicContact CB-CH2 4.35Å; L219-W305 HydrophobicContact CB-CZ3 3.73Å; L219-W305 HydrophobicContact CD1-CH2 3.59Å; L219-W305 HydrophobicContact CD1-CZ3 3.78Å; L219-W305 HydrophobicContact CG-CZ3 4.35Å
220A97.8Very high97.4Very high14 Ų1430 Ų3012%0.11616%0.161CC..Hα-helixtrans-59.3-37.917800000112.6V216 R217 E218 L223 D224 P230 P279V216-A220 WeakPolarHBondContact O-CB 3.43Å; V216-A220 PolarHBondContact O-N 3.01Å; R217-A220 WeakPolarHBondContact O-CB 3.48Å; R217-A220 PolarHBondContact O-N 2.77Å; E218-A220 PolarHBondContact O-N 3.36Å; A220-L223 PolarHBondContact O-N 3.06Å; A220-D224 PolarHBondContact O-N 3.48Å; A220-P230 HydrophobicContact CB-CG 3.77Å; A220-P279 HydrophobicContact CB-CB 3.96Å
221K96.8Very high97.4Very high83 Ų8330 Ų3036%0.36116%0.161SC..Hα-helixtrans-67-41.6176.2-59173.9-172.2167.20111.3R217 E218 L219 L223 D224 E298R217-K221 PolarHBondContact O-N 3.49Å; E218-K221 WeakPolarHBondContact O-CB 3.36Å; E218-K221 PolarHBondContact O-N 2.98Å; E218-K221 IonicContact OE1-NZ 3.56Å; E218-K221 IonicContact OE2-NZ 2.72Å; E218-K221 PolarHBondContact OE2-NZ 2.97Å; L219-K221 VanDerWaalsContact C-N 3.27Å; L219-K221 PolarHBondContact O-N 3.04Å; K221-L223 VanDerWaalsContact C-N 3.27Å; K221-L223 PolarHBondContact O-N 3.28Å; K221-D224 PolarHBondContact O-N 2.89Å; K221-E298 IonicContact NZ-OE1 3.42Å
222H95.4Very high97.4Very high61 Ų6130 Ų3028%0.28216%0.161SC..Hα-helixtrans-70.9-21.2179.4-75.7-69.8000114E218 L219 W305 L318E218-H222 PolarHBondContact O-CD2 2.97Å; E218-H222 VanDerWaalsContact O-CD2 3.26Å; E218-H222 PolarHBondContact O-N 3.35Å; L219-H222 PolarHBondContact O-N 3.41Å; L219-H222 VanDerWaalsContact O-N 3.15Å; H222-W305 HydrophobicContact CB-CH2 4.28Å; H222-W305 HydrophobicContact CB-CZ2 4.31Å; H222-W305 AromaticContact CD2-CD2 3.95Å; H222-W305 AromaticContact CD2-CE2 3.43Å; H222-W305 VanDerWaalsContact CD2-CE2 3.43Å; H222-W305 AromaticContact CD2-CH2 3.74Å; H222-W305 AromaticContact CD2-CZ2 3.33Å; H222-W305 WeakPolarHBondContact CD2-CZ2 3.25Å; H222-W305 AromaticContact CD2-NE1 3.89Å; H222-W305 AromaticContact CG-CZ2 3.79Å; H222-W305 AromaticContact NE2-CD1 3.99Å; H222-W305 AromaticContact NE2-CE2 3.48Å; H222-W305 AromaticContact NE2-CZ2 3.79Å; H222-W305 AromaticContact NE2-NE1 3.41Å; H222-W305 PolarHBondContact NE2-NE1 3.04Å; H222-L318 HydrophobicContact CB-CD2 4.35Å
223L96Very high97.4Very high4 Ų430 Ų302%0.02116%0.161CC..THydrogen-bonded Turntrans-105.410.5-179.5-59.6178.3000113.2L163 L219 A220 K221 G225 L226 V228 P230 L318 L321L163-L223 HydrophobicContact CD1-CD2 4.46Å; L163-L223 HydrophobicContact CD2-CD1 4.04Å; L163-L223 HydrophobicContact CD2-CD2 3.68Å; L163-L223 HydrophobicContact CD2-CG 4.5Å; L219-L223 HydrophobicContact CD1-CD1 3.64Å; L219-L223 HydrophobicContact CD1-CG 3.96Å; L219-L223 HydrophobicContact CD2-CD1 4.23Å; L219-L223 HydrophobicContact CG-CD1 3.6Å; L219-L223 HydrophobicContact CG-CG 4.22Å; L219-L223 WeakPolarHBondContact O-CB 3.16Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.46Å; L219-L223 PolarHBondContact O-N 3.44Å; A220-L223 PolarHBondContact O-N 3.06Å; K221-L223 VanDerWaalsContact C-N 3.27Å; K221-L223 PolarHBondContact O-N 3.28Å; L223-G225 PolarHBondContact O-N 2.98Å; L223-L226 HydrophobicContact CD2-CD1 4.05Å; L223-L226 WeakPolarHBondContact O-CB 3.44Å; L223-L226 PolarHBondContact O-N 2.89Å; L223-V228 HydrophobicContact CB-CB 4.5Å; L223-V228 HydrophobicContact CD1-CB 3.93Å; L223-V228 HydrophobicContact CD1-CG1 3.72Å; L223-P230 HydrophobicContact CD1-CG 4.46Å; L223-L318 HydrophobicContact CD2-CD2 3.97Å; L223-L321 HydrophobicContact CD2-CD1 3.88Å
224D95.2Very high97.3Very high138 Ų13830.6 Ų30.674%0.73816%0.164SC*.THydrogen-bonded Turntrans-57.3137.3179.3-171.234000111A220 K221 L226A220-D224 PolarHBondContact O-N 3.48Å; K221-D224 PolarHBondContact O-N 2.89Å; D224-L226 PolarHBondContact O-N 3.45Å; D224-L226 VanDerWaalsContact O-N 3.1Å
225G94.9Very high97.1Very high65 Ų6531.5 Ų31.567%0.6717%0.17SC*.THydrogen-bonded Turntrans73.2-14.9-173.900000116.4L223 K227L223-G225 PolarHBondContact O-N 2.98Å; G225-K227 PolarHBondContact O-N 3.35Å
226L95.3Very high96.6Very high33 Ų3332 Ų3217%0.17318%0.176CC..THydrogen-bonded Turntrans-85.1-6.2-176.2-56.4-174.2000114.2Y167 L223 D224 V228 L321Y167-L226 HydrophobicContact CD2-CB 4.16Å; Y167-L226 HydrophobicContact CD2-CD2 4.38Å; Y167-L226 HydrophobicContact CE2-CB 4.35Å; Y167-L226 HydrophobicContact CE2-CD2 3.97Å; L223-L226 HydrophobicContact CD2-CD1 4.05Å; L223-L226 WeakPolarHBondContact O-CB 3.44Å; L223-L226 PolarHBondContact O-N 2.89Å; D224-L226 PolarHBondContact O-N 3.45Å; D224-L226 VanDerWaalsContact O-N 3.1Å; L226-V228 PolarHBondContact O-N 3.24Å; L226-V228 VanDerWaalsContact O-N 3.16Å; L226-L321 HydrophobicContact CD1-CB 4.18Å; L226-L321 HydrophobicContact CD1-CD1 3.48Å; L226-L321 VanDerWaalsContact CD1-CD1 3.48Å; L226-L321 HydrophobicContact CD1-CG 4.39Å
227K96Very high96.1Very high147 Ų14734.1 Ų34.164%0.63919%0.193SC*.THydrogen-bonded Turntrans56.526.9-178.2-58.5178.8-178.31780113.8A170 P171 S172 G225A170-K227 HydrophobicContact CB-CB 4.02Å; P171-K227 WeakPolarHBondContact CA-O 3.23Å; S172-K227 PolarHBondContact N-O 3.18Å; S172-K227 VanDerWaalsContact N-O 3.1Å; G225-K227 PolarHBondContact O-N 3.35Å
228V97.7Very high95.5Very high4 Ų432.9 Ų32.92%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-101.7112.8166.1-177.20000107L166 V174 L223 L226 P230L166-V228 HydrophobicContact CB-CG1 3.93Å; L166-V228 HydrophobicContact CB-CG2 4.29Å; L166-V228 HydrophobicContact CD1-CG1 4.47Å; V174-V228 HydrophobicContact CG2-CG1 4.17Å; L223-V228 HydrophobicContact CB-CB 4.5Å; L223-V228 HydrophobicContact CD1-CB 3.93Å; L223-V228 HydrophobicContact CD1-CG1 3.72Å; L226-V228 PolarHBondContact O-N 3.24Å; L226-V228 VanDerWaalsContact O-N 3.16Å; V228-P230 WeakPolarHBondContact O-CD 3.23Å
229I98.5Very high94.5Very high29 Ų2938.5 Ų38.515%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-108.9102.1-163.6-52.5177.2000110.3S172 R173 V174 M231 P277 P279S172-I229 PolarHBondContact O-N 2.75Å; R173-I229 WeakPolarHBondContact CA-O 3.39Å; V174-I229 PolarHBondContact N-O 3.03Å; I229-M231 HydrophobicContact CG2-CG 4.38Å; I229-P277 HydrophobicContact CB-CG 4.46Å; I229-P277 HydrophobicContact CD1-CG 3.63Å; I229-P277 HydrophobicContact CG2-CB 3.95Å; I229-P277 HydrophobicContact CG2-CG 3.95Å; I229-P279 HydrophobicContact CG2-CB 4.34Å; I229-P279 HydrophobicContact CG2-CG 4.11Å
230P98.7Very high93.1Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-81.6139.9175.533.7-35.8000111.7V174 V216 L219 A220 L223 V228 G280V174-P230 HydrophobicContact CB-CB 4.24Å; V174-P230 CarbonylContact O-C 3.57Å; V174-P230 VanDerWaalsContact O-CA 3.24Å; V174-P230 WeakPolarHBondContact O-CA 3.33Å; V216-P230 HydrophobicContact CG1-CB 4.33Å; L219-P230 HydrophobicContact CB-CB 4.3Å; L219-P230 HydrophobicContact CB-CG 4.15Å; L219-P230 HydrophobicContact CD2-CB 3.64Å; L219-P230 HydrophobicContact CD2-CG 4.19Å; L219-P230 HydrophobicContact CG-CB 4.02Å; L219-P230 HydrophobicContact CG-CG 4Å; A220-P230 HydrophobicContact CB-CG 3.77Å; L223-P230 HydrophobicContact CD1-CG 4.46Å; V228-P230 WeakPolarHBondContact O-CD 3.23Å; P230-G280 PolarHBondContact O-N 3.46Å
231M98.8Very high91.3Very high0 Ų048 Ų480%026%0.255CS..EExtended strand (participates in β ladder)trans-143.4147.8179.5-64.6168.5-79.400110.6R173 V174 I175 V176 I229 C271 I274 P277 G281 Y283R173-M231 HydrophobicContact CB-CE 3.97Å; R173-M231 HydrophobicContact CG-CE 4.08Å; V174-M231 PolarHBondContact O-N 2.86Å; I175-M231 HydrophobicContact CD1-CE 4.48Å; I175-M231 HydrophobicContact CG1-CE 3.95Å; V176-M231 PolarHBondContact N-O 3.36Å; I229-M231 HydrophobicContact CG2-CG 4.38Å; M231-C271 HydrophobicContact CE-CB 4.28Å; M231-C271 HydrophobicContact SD-CB 4.16Å; M231-I274 HydrophobicContact SD-CD1 4.12Å; M231-P277 HydrophobicContact CE-CB 4.1Å; M231-P277 HydrophobicContact SD-CB 3.44Å; M231-P277 WeakPolarHBondContact SD-CB 3.22Å; M231-G281 WeakPolarHBondContact CA-O 3.15Å; M231-Y283 HydrophobicContact CB-CD2 4.27Å; M231-Y283 HydrophobicContact CB-CE2 4.28Å; M231-Y283 HydrophobicContact CG-CD2 4.4Å; M231-Y283 HydrophobicContact CG-CE2 3.93Å; M231-Y283 HydrophobicContact SD-CD2 4.47Å; M231-Y283 HydrophobicContact SD-CE2 3.95Å
232A98.7Very high89.5Confident1 Ų147.3 Ų47.31%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-105.4140.5174.200000109.5V176 A178 V213 V216 G281 Y282 Y283V176-A232 CarbonylContact O-C 3.44Å; V176-A232 WeakPolarHBondContact O-CA 3.44Å; A178-A232 HydrophobicContact CB-CB 4.29Å; V213-A232 HydrophobicContact CG2-CB 4.38Å; V216-A232 HydrophobicContact CB-CB 4.28Å; V216-A232 HydrophobicContact CG1-CB 4.15Å; V216-A232 HydrophobicContact CG2-CB 4.18Å; A232-G281 PolarHBondContact N-O 3.38Å; A232-Y282 HydrophobicContact CB-CD2 3.77Å; A232-Y282 CarbonylContact O-C 3.52Å; A232-Y282 WeakPolarHBondContact O-CA 3.13Å; A232-Y283 PolarHBondContact O-N 2.71Å
233V98.4Very high87.7Confident0 Ų044.8 Ų44.80%024%0.244CC..EExtended strand (participates in β ladder)trans-128.8130.1-175.5166.30000110.9I175 V176 I177 A178 T267 A268 C271 Y283I175-V233 HydrophobicContact CG2-CB 4.33Å; I175-V233 HydrophobicContact CG2-CG2 3.7Å; V176-V233 PolarHBondContact O-N 3.44Å; I177-V233 CarbonylContact C-O 3.45Å; I177-V233 WeakPolarHBondContact CA-O 3.14Å; I177-V233 HydrophobicContact CD1-CB 3.89Å; I177-V233 HydrophobicContact CD1-CG1 3.8Å; A178-V233 CarbonylContact C-O 3.59Å; A178-V233 WeakPolarHBondContact CA-O 3.46Å; A178-V233 PolarHBondContact N-O 3.44Å; V233-T267 HydrophobicContact CG1-CG2 3.66Å; V233-T267 HydrophobicContact CG2-CG2 4.37Å; V233-A268 HydrophobicContact CG1-CB 4.36Å; V233-C271 HydrophobicContact CG2-CB 4.18Å; V233-C271 WeakPolarHBondContact CG2-SG 3.04Å; V233-Y283 CarbonylContact C-O 3.51Å; V233-Y283 WeakPolarHBondContact CA-O 3.31Å
234H95.9Very high85.7Confident14 Ų1450.7 Ų50.77%0.06528%0.275CS..EExtended strand (participates in β ladder)trans-89.7123.5160.4-178.139.6000110.2N180 G236 Y282 Y283N180-H234 PolarHBondContact N-ND1 3.27Å; N180-H234 PolarHBondContact OD1-CE1 2.76Å; N180-H234 VanDerWaalsContact OD1-CE1 3.31Å; H234-G236 VanDerWaalsContact CE1-CA 3.46Å; H234-G236 WeakPolarHBondContact CE1-CA 3.47Å; H234-G236 PolarHBondContact CE1-N 3.4Å; H234-G236 PolarHBondContact CE1-O 3.38Å; H234-G236 PolarHBondContact ND1-N 2.84Å; H234-G236 VanDerWaalsContact NE2-CA 3.31Å; H234-G236 WeakPolarHBondContact NE2-CA 3.39Å; H234-G236 PolarHBondContact NE2-N 3.29Å; H234-G236 PolarHBondContact O-N 2.94Å; H234-Y282 HydrophobicContact CB-CE1 4.3Å; H234-Y282 WeakPolarHBondContact CB-OH 3.31Å; H234-Y283 PolarHBondContact N-O 3.05Å
235P93.7Very high83.9Confident19 Ų1945.4 Ų45.412%0.12325%0.248CC..  trans-81.91.1178.233.7-36000113.2I177 V238 I259 G264I177-P235 HydrophobicContact CG2-CB 4.33Å; I177-P235 HydrophobicContact CG2-CG 3.8Å; P235-V238 HydrophobicContact CB-CG2 4.03Å; P235-V238 HydrophobicContact CG-CG2 4.37Å; P235-I259 VanDerWaalsContact O-CD1 3.28Å; P235-I259 WeakPolarHBondContact O-CD1 3.31Å; P235-G264 WeakPolarHBondContact CB-O 3.17Å; P235-G264 VanDerWaalsContact O-CA 3.3Å; P235-G264 WeakPolarHBondContact O-CA 3.46Å
236G89.8Confident82.1Confident13 Ų1346.1 Ų46.113%0.13426%0.255CS..  trans81.2-177.3-166.600000112.7H234 V238H234-G236 VanDerWaalsContact CE1-CA 3.46Å; H234-G236 WeakPolarHBondContact CE1-CA 3.47Å; H234-G236 PolarHBondContact CE1-N 3.4Å; H234-G236 PolarHBondContact CE1-O 3.38Å; H234-G236 PolarHBondContact ND1-N 2.84Å; H234-G236 VanDerWaalsContact NE2-CA 3.31Å; H234-G236 WeakPolarHBondContact NE2-CA 3.39Å; H234-G236 PolarHBondContact NE2-N 3.29Å; H234-G236 PolarHBondContact O-N 2.94Å; G236-V238 PolarHBondContact O-N 3.49Å
237A87.1Confident80.7Confident44 Ų4447.6 Ų47.636%0.36426%0.263SS..SBendtrans-82.987.2175.300000110L254 G258 I259A237-L254 HydrophobicContact CB-CD2 4.29Å; A237-G258 CarbonylContact O-C 3.59Å; A237-G258 WeakPolarHBondContact O-CA 3.3Å; A237-I259 PolarHBondContact O-N 2.89Å
238V84.7Confident79.4Confident13 Ų1348.4 Ų48.48%0.07927%0.269CS..BIsolated β-bridgetrans-84.2136.3-174.4-169.40000111.6P235 G236 T240 I259 P261P235-V238 HydrophobicContact CB-CG2 4.03Å; P235-V238 HydrophobicContact CG-CG2 4.37Å; G236-V238 PolarHBondContact O-N 3.49Å; V238-T240 VanDerWaalsContact C-N 3.33Å; V238-T240 HydrophobicContact CB-CG2 3.6Å; V238-T240 HydrophobicContact CG1-CG2 3.35Å; V238-T240 PolarHBondContact O-N 3.14Å; V238-I259 HydrophobicContact CB-CG1 4.26Å; V238-I259 HydrophobicContact CG1-CG1 4.43Å; V238-I259 HydrophobicContact CG2-CD1 3.95Å; V238-I259 HydrophobicContact CG2-CG1 3.98Å; V238-P261 HydrophobicContact CG1-CB 4.45Å; V238-P261 HydrophobicContact CG1-CG 4.36Å
239R78.8Confident77.9Confident126 Ų12658.4 Ų58.448%0.47531%0.306SS..  trans-66.991.7164.3-72176.5-60.2-174.1-0.7109L254 G258 I259R239-L254 WeakPolarHBondContact CG-O 3.39Å; R239-G258 VanDerWaalsContact CD-O 3.23Å; R239-G258 WeakPolarHBondContact CD-O 2.93Å; R239-G258 WeakPolarHBondContact CG-O 3.28Å; R239-G258 PolarHBondContact NE-O 3.43Å; R239-I259 WeakPolarHBondContact CB-O 3.36Å; R239-I259 PolarHBondContact N-O 2.81Å; R239-I259 PolarHBondContact NE-O 3.2Å
240T67.4Low76.5Confident33 Ų3359.2 Ų59.220%0.20231%0.308CS..  trans-122.1155.8179.563.70000110.8V238 I242V238-T240 VanDerWaalsContact C-N 3.33Å; V238-T240 HydrophobicContact CB-CG2 3.6Å; V238-T240 HydrophobicContact CG1-CG2 3.35Å; V238-T240 PolarHBondContact O-N 3.14Å; T240-I242 HydrophobicContact CG2-CD1 4.18Å; T240-I242 PolarHBondContact O-N 3.5Å
241E60.1Low75Confident180 Ų18061.6 Ų61.684%0.84132%0.319SS*.THydrogen-bonded Turntrans-78.94.6170.8-58.1-170.9164.700112.6S243E241-S243 VanDerWaalsContact C-N 3.27Å; E241-S243 PolarHBondContact O-N 3.26Å
242I57.8Low73.5Confident70 Ų7067.4 Ų67.436%0.35935%0.349SS..THydrogen-bonded Turntrans-72-24.5-172.9-58.4168.7000111.3G131 M133 T240 N244G131-I242 WeakPolarHBondContact O-CG2 3.47Å; M133-I242 HydrophobicContact CB-CG2 3.78Å; T240-I242 HydrophobicContact CG2-CD1 4.18Å; T240-I242 PolarHBondContact O-N 3.5Å; I242-N244 PolarHBondContact O-N 3.25Å
243S57.7Low72.3Confident7 Ų772.7 Ų72.75%0.04937%0.372CS..BIsolated β-bridgetrans-71.6108.2175.641.90000110.7E241 Q251E241-S243 VanDerWaalsContact C-N 3.27Å; E241-S243 PolarHBondContact O-N 3.26Å; S243-Q251 VanDerWaalsContact CB-NE2 3.27Å; S243-Q251 PolarHBondContact O-NE2 3.03Å; S243-Q251 PolarHBondContact OG-NE2 3.25Å; S243-Q251 PolarHBondContact OG-OE1 2.91Å
244N54.4Low71Confident129 Ų12973 Ų7369%0.6937%0.374SS*.  trans-10839.5165.2-150.212.1000110.8T135 I242 G246T135-N244 HydrophobicContact CG2-CB 4.44Å; I242-N244 PolarHBondContact O-N 3.25Å; N244-G246 VanDerWaalsContact C-N 3.29Å; N244-G246 PolarHBondContact O-N 3.14Å
245T57.2Low69.8Low27 Ų2781.6 Ų81.617%0.16641%0.406CS..  trans-74.9-15.2-164.663.60000114.4A134 F202 D247 Y250A134-T245 HydrophobicContact CB-CG2 3.38Å; A134-T245 VanDerWaalsContact O-CA 3.25Å; A134-T245 WeakPolarHBondContact O-CA 3.19Å; A134-T245 WeakPolarHBondContact O-CG2 3.39Å; F202-T245 HydrophobicContact CZ-CG2 4.2Å; T245-D247 PolarHBondContact O-N 3.04Å; T245-D247 WeakPolarHBondContact OG1-CB 3.27Å; T245-D247 PolarHBondContact OG1-N 3.39Å; T245-Y250 HydrophobicContact CG2-CD1 4.45Å
246G56.9Low68.5Low79 Ų7984.5 Ų84.581%0.81443%0.432SS*.  trans62.3-7.8-163.300000114.1N244 H248N244-G246 VanDerWaalsContact C-N 3.29Å; N244-G246 PolarHBondContact O-N 3.14Å; G246-H248 PolarHBondContact O-N 3.25Å
247D67.4Low67.8Low64 Ų6487 Ų8734%0.34244%0.444SS..  trans-83.595.4-178.3-174.2-17.7000110.4T245 R249 Y250 Q251T245-D247 PolarHBondContact O-N 3.04Å; T245-D247 WeakPolarHBondContact OG1-CB 3.27Å; T245-D247 PolarHBondContact OG1-N 3.39Å; D247-R249 PolarHBondContact O-N 3.23Å; D247-R249 WeakPolarHBondContact OD1-CB 3.34Å; D247-R249 PolarHBondContact OD1-N 2.72Å; D247-Y250 PolarHBondContact O-N 3.21Å; D247-Y250 PolarHBondContact OD1-N 2.74Å; D247-Q251 WeakPolarHBondContact O-CG 3.34Å; D247-Q251 PolarHBondContact O-N 3.49Å; D247-Q251 VanDerWaalsContact O-N 3.11Å
248H67.2Low67.4Low164 Ų16485.2 Ų85.276%0.75943%0.43SS*.Hα-helixtrans-60.2-29.4-179.4-132.256.6000113.4G246 L252G246-H248 PolarHBondContact O-N 3.25Å; H248-L252 WeakPolarHBondContact O-CB 3.09Å; H248-L252 PolarHBondContact O-N 3.31Å
249R66.3Low67.6Low214 Ų21485.3 Ų85.381%0.80843%0.43SS*.Hα-helixtrans-72.3-43.5-179.9-67.3-179.1173.2175.3-1.2110.7D247 Q251 L252 F253D247-R249 PolarHBondContact O-N 3.23Å; D247-R249 WeakPolarHBondContact OD1-CB 3.34Å; D247-R249 PolarHBondContact OD1-N 2.72Å; R249-Q251 VanDerWaalsContact C-N 3.34Å; R249-L252 PolarHBondContact O-N 3.49Å; R249-F253 WeakPolarHBondContact O-CB 3.3Å; R249-F253 PolarHBondContact O-N 3.4Å
250Y69.5Low68.2Low46 Ų4680.6 Ų80.618%0.1842%0.417CS..Hα-helixtrans-63.6-41.2175.6-176.9-101.8000111.8M133 F202 T245 D247 L252 F253 L254M133-Y250 HydrophobicContact CE-CE1 3.57Å; M133-Y250 HydrophobicContact SD-CE1 4.45Å; F202-Y250 HydrophobicContact CE1-CD2 4.31Å; F202-Y250 HydrophobicContact CE1-CE1 4.36Å; F202-Y250 HydrophobicContact CE1-CE2 4.11Å; F202-Y250 AromaticContact CZ-CD1 3.97Å; F202-Y250 HydrophobicContact CZ-CD1 3.97Å; F202-Y250 AromaticContact CZ-CD2 3.91Å; F202-Y250 HydrophobicContact CZ-CD2 3.91Å; F202-Y250 HydrophobicContact CZ-CE1 4.22Å; F202-Y250 HydrophobicContact CZ-CE2 4.17Å; F202-Y250 AromaticContact CZ-CG 3.8Å; F202-Y250 HydrophobicContact CZ-CG 3.8Å; T245-Y250 HydrophobicContact CG2-CD1 4.45Å; D247-Y250 PolarHBondContact O-N 3.21Å; D247-Y250 PolarHBondContact OD1-N 2.74Å; Y250-L252 PolarHBondContact O-N 3.19Å; Y250-F253 WeakPolarHBondContact O-CB 3.22Å; Y250-F253 PolarHBondContact O-N 3.18Å; Y250-L254 HydrophobicContact CD1-CD1 4.08Å; Y250-L254 HydrophobicContact CD1-CG 4.43Å; Y250-L254 HydrophobicContact CE1-CD1 3.36Å; Y250-L254 HydrophobicContact CE1-CG 3.93Å; Y250-L254 HydrophobicContact CE2-CG 4.49Å; Y250-L254 PolarHBondContact O-N 3.19Å
251Q67.5Low69.4Low51 Ų5180.8 Ų80.824%0.23842%0.418CS..Hα-helixtrans-61.8-42.8174.7-65.1-71.317.800112.3S243 D247 R249 F253 L254 R255S243-Q251 VanDerWaalsContact CB-NE2 3.27Å; S243-Q251 PolarHBondContact O-NE2 3.03Å; S243-Q251 PolarHBondContact OG-NE2 3.25Å; S243-Q251 PolarHBondContact OG-OE1 2.91Å; D247-Q251 WeakPolarHBondContact O-CG 3.34Å; D247-Q251 PolarHBondContact O-N 3.49Å; D247-Q251 VanDerWaalsContact O-N 3.11Å; R249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-F253 VanDerWaalsContact C-N 3.35Å; Q251-L254 PolarHBondContact O-N 2.98Å; Q251-R255 WeakPolarHBondContact O-CG 3.5Å; Q251-R255 PolarHBondContact O-N 2.71Å
252L66.9Low71Confident121 Ų12173.5 Ų73.563%0.63438%0.383SS*.Hα-helixtrans-64.6-41177.2-172.764.9000111.5H248 R249 Y250 R255 A256H248-L252 WeakPolarHBondContact O-CB 3.09Å; H248-L252 PolarHBondContact O-N 3.31Å; R249-L252 PolarHBondContact O-N 3.49Å; Y250-L252 PolarHBondContact O-N 3.19Å; L252-R255 PolarHBondContact O-N 2.84Å; L252-A256 WeakPolarHBondContact O-CB 3.36Å; L252-A256 PolarHBondContact O-N 3.06Å
253F74.5Confident72.8Confident112 Ų11273.2 Ų73.249%0.49138%0.38SS..Hα-helixtrans-58.3-53.1174.2171.5-97.5000111.3R249 Y250 Q251 R255 A256 V257R249-F253 WeakPolarHBondContact O-CB 3.3Å; R249-F253 PolarHBondContact O-N 3.4Å; Y250-F253 WeakPolarHBondContact O-CB 3.22Å; Y250-F253 PolarHBondContact O-N 3.18Å; Q251-F253 VanDerWaalsContact C-N 3.35Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-R255 PolarHBondContact O-N 2.83Å; F253-A256 PolarHBondContact O-N 3.25Å; F253-V257 HydrophobicContact CD1-CG2 4.07Å; F253-V257 HydrophobicContact CD2-CG2 3.85Å; F253-V257 HydrophobicContact CE1-CG2 3.68Å; F253-V257 HydrophobicContact CE2-CG1 4.45Å; F253-V257 HydrophobicContact CE2-CG2 3.45Å; F253-V257 VanDerWaalsContact CE2-CG2 3.45Å; F253-V257 HydrophobicContact CG-CG2 4.15Å; F253-V257 HydrophobicContact CZ-CG2 3.36Å; F253-V257 WeakPolarHBondContact O-CG2 3.48Å; F253-V257 PolarHBondContact O-N 3.45Å
254L70.9Confident74.5Confident6 Ų673 Ų733%0.03138%0.379CS..Hα-helixtrans-60-38.9178.8-74-176.1000112.1M133 A237 R239 Y250 Q251 A256 G258M133-L254 HydrophobicContact CE-CD1 4.35Å; A237-L254 HydrophobicContact CB-CD2 4.29Å; R239-L254 WeakPolarHBondContact CG-O 3.39Å; Y250-L254 HydrophobicContact CD1-CD1 4.08Å; Y250-L254 HydrophobicContact CD1-CG 4.43Å; Y250-L254 HydrophobicContact CE1-CD1 3.36Å; Y250-L254 HydrophobicContact CE1-CG 3.93Å; Y250-L254 HydrophobicContact CE2-CG 4.49Å; Y250-L254 PolarHBondContact O-N 3.19Å; Q251-L254 PolarHBondContact O-N 2.98Å; L254-A256 VanDerWaalsContact C-N 3.31Å; L254-A256 PolarHBondContact O-N 3.18Å; L254-G258 WeakPolarHBondContact O-CA 3.39Å; L254-G258 PolarHBondContact O-N 3.15Å
255R69.6Low76.5Confident195 Ų19566.9 Ų66.974%0.73635%0.347SS*.Hα-helixtrans-61.9-39174.7-77.3-178.6176.6-174.9-0.5112.7Q251 L252 F253Q251-R255 WeakPolarHBondContact O-CG 3.5Å; Q251-R255 PolarHBondContact O-N 2.71Å; L252-R255 PolarHBondContact O-N 2.84Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-R255 PolarHBondContact O-N 2.83Å
256A66.6Low78.4Confident81 Ų8165.6 Ų65.667%0.66934%0.339SS*.Hα-helixtrans-77.3-38.9-175.700000113.5L252 F253 L254L252-A256 WeakPolarHBondContact O-CB 3.36Å; L252-A256 PolarHBondContact O-N 3.06Å; F253-A256 PolarHBondContact O-N 3.25Å; L254-A256 VanDerWaalsContact C-N 3.31Å; L254-A256 PolarHBondContact O-N 3.18Å
257V74.7Confident80.4Confident64 Ų6462.1 Ų62.139%0.38830%0.302SS..Hα-helixtrans-121-7.3-172.1-54.20000114.4F253F253-V257 HydrophobicContact CD1-CG2 4.07Å; F253-V257 HydrophobicContact CD2-CG2 3.85Å; F253-V257 HydrophobicContact CE1-CG2 3.68Å; F253-V257 HydrophobicContact CE2-CG1 4.45Å; F253-V257 HydrophobicContact CE2-CG2 3.45Å; F253-V257 VanDerWaalsContact CE2-CG2 3.45Å; F253-V257 HydrophobicContact CG-CG2 4.15Å; F253-V257 HydrophobicContact CZ-CG2 3.36Å; F253-V257 WeakPolarHBondContact O-CG2 3.48Å; F253-V257 PolarHBondContact O-N 3.45Å
258G79.8Confident81.8Confident8 Ų859.1 Ų59.18%0.08229%0.286CS..PPolyproline II helixtrans-76.4146.4-173.700000112.4A237 R239 L254A237-G258 CarbonylContact O-C 3.59Å; A237-G258 WeakPolarHBondContact O-CA 3.3Å; R239-G258 VanDerWaalsContact CD-O 3.23Å; R239-G258 WeakPolarHBondContact CD-O 2.93Å; R239-G258 WeakPolarHBondContact CG-O 3.28Å; R239-G258 PolarHBondContact NE-O 3.43Å; L254-G258 WeakPolarHBondContact O-CA 3.39Å; L254-G258 PolarHBondContact O-N 3.15Å
259I88.6Confident83.3Confident14 Ų1451.3 Ų51.37%0.07225%0.25CC..BIsolated β-bridgetrans-79.6166.6178.466.5177.5000111.4N8 P235 A237 V238 R239 E263N8-I259 HydrophobicContact CB-CG2 4.44Å; N8-I259 WeakPolarHBondContact ND2-CD1 3.35Å; N8-I259 WeakPolarHBondContact ND2-CG2 3.36Å; P235-I259 VanDerWaalsContact O-CD1 3.28Å; P235-I259 WeakPolarHBondContact O-CD1 3.31Å; A237-I259 PolarHBondContact O-N 2.89Å; V238-I259 HydrophobicContact CB-CG1 4.26Å; V238-I259 HydrophobicContact CG1-CG1 4.43Å; V238-I259 HydrophobicContact CG2-CD1 3.95Å; V238-I259 HydrophobicContact CG2-CG1 3.98Å; R239-I259 WeakPolarHBondContact CB-O 3.36Å; R239-I259 PolarHBondContact N-O 2.81Å; R239-I259 PolarHBondContact NE-O 3.2Å; I259-E263 HydrophobicContact CB-CB 3.9Å; I259-E263 HydrophobicContact CD1-CB 3.92Å; I259-E263 HydrophobicContact CG1-CB 4.16Å
260S91Very high84.8Confident28 Ų2843.7 Ų43.720%0.19622%0.221CC..PPolyproline II helixtrans-67.5155.6170.2650000112W262 E263 G264S260-W262 PolarHBondContact O-N 3.44Å; S260-E263 WeakPolarHBondContact CB-OE2 3.08Å; S260-E263 PolarHBondContact N-OE2 2.9Å; S260-E263 PolarHBondContact O-N 3.24Å; S260-E263 VanDerWaalsContact O-N 3.15Å; S260-E263 VanDerWaalsContact OG-CG 3.27Å; S260-E263 WeakPolarHBondContact OG-CG 3.39Å; S260-E263 PolarHBondContact OG-N 3.11Å; S260-E263 PolarHBondContact OG-OE2 2.92Å; S260-G264 PolarHBondContact O-N 3.18Å
261P92.4Very high86.2Confident37 Ų3741.5 Ų41.524%0.2421%0.213CC..Hα-helixtrans-55.5-33.3170.7-27.335.6000114.1E34 V238 G264 A265E34-P261 HydrophobicContact CG-CB 4.08Å; V238-P261 HydrophobicContact CG1-CB 4.45Å; V238-P261 HydrophobicContact CG1-CG 4.36Å; P261-G264 PolarHBondContact O-N 3.3Å; P261-A265 PolarHBondContact O-N 2.9Å
262W94.9Very high87.7Confident27 Ų2739.1 Ų39.110%0.10220%0.202CC..Hα-helixtrans-66.8-41.4177.1-179.890000111.8L10 E34 E38 P79 A80 S260 G264 A265 Q266L10-W262 HydrophobicContact CD1-CH2 4.02Å; L10-W262 HydrophobicContact CD1-CZ3 3.93Å; L10-W262 HydrophobicContact CD2-CH2 4.24Å; L10-W262 HydrophobicContact CD2-CZ3 3.68Å; L10-W262 HydrophobicContact CG-CZ3 4.34Å; E34-W262 HydrophobicContact CB-CB 4.33Å; E34-W262 HydrophobicContact CG-CB 4.05Å; E38-W262 PolarHBondContact OE1-NE1 2.93Å; P79-W262 HydrophobicContact CB-CE3 4.33Å; P79-W262 HydrophobicContact CB-CH2 3.6Å; P79-W262 HydrophobicContact CB-CZ2 3.99Å; P79-W262 HydrophobicContact CB-CZ3 3.76Å; P79-W262 HydrophobicContact CG-CD2 4.33Å; P79-W262 HydrophobicContact CG-CE3 4.39Å; P79-W262 HydrophobicContact CG-CH2 4.04Å; P79-W262 HydrophobicContact CG-CZ2 3.92Å; P79-W262 HydrophobicContact CG-CZ3 4.24Å; A80-W262 HydrophobicContact CB-CH2 4.1Å; A80-W262 HydrophobicContact CB-CZ2 4.36Å; S260-W262 PolarHBondContact O-N 3.44Å; W262-G264 VanDerWaalsContact C-N 3.31Å; W262-A265 PolarHBondContact O-N 3.48Å; W262-Q266 HydrophobicContact CH2-CG 4.46Å; W262-Q266 HydrophobicContact CZ3-CG 4.34Å; W262-Q266 WeakPolarHBondContact O-CG 3.43Å; W262-Q266 PolarHBondContact O-NE2 2.95Å
263E94.7Very high89.2Confident63 Ų6334 Ų3429%0.29418%0.175SC..Hα-helixtrans-64.6-37.1172.2-71.2164.1123.200111.2L10 I259 S260 A265 Q266L10-E263 HydrophobicContact CD2-CG 4.08Å; I259-E263 HydrophobicContact CB-CB 3.9Å; I259-E263 HydrophobicContact CD1-CB 3.92Å; I259-E263 HydrophobicContact CG1-CB 4.16Å; S260-E263 WeakPolarHBondContact CB-OE2 3.08Å; S260-E263 PolarHBondContact N-OE2 2.9Å; S260-E263 PolarHBondContact O-N 3.24Å; S260-E263 VanDerWaalsContact O-N 3.15Å; S260-E263 VanDerWaalsContact OG-CG 3.27Å; S260-E263 WeakPolarHBondContact OG-CG 3.39Å; S260-E263 PolarHBondContact OG-N 3.11Å; S260-E263 PolarHBondContact OG-OE2 2.92Å; E263-A265 VanDerWaalsContact C-N 3.29Å; E263-A265 PolarHBondContact O-N 2.77Å; E263-Q266 WeakPolarHBondContact O-CB 3.46Å; E263-Q266 VanDerWaalsContact O-CG 3.31Å; E263-Q266 WeakPolarHBondContact O-CG 3.04Å; E263-Q266 PolarHBondContact O-N 2.88Å
264G93.9Very high90.3Very high2 Ų229.2 Ų29.22%0.02115%0.154CC..Hα-helixtrans-66.9-26.9177.300000114.8P235 S260 P261 W262 Q266P235-G264 WeakPolarHBondContact CB-O 3.17Å; P235-G264 VanDerWaalsContact O-CA 3.3Å; P235-G264 WeakPolarHBondContact O-CA 3.46Å; S260-G264 PolarHBondContact O-N 3.18Å; P261-G264 PolarHBondContact O-N 3.3Å; W262-G264 VanDerWaalsContact C-N 3.31Å; G264-Q266 VanDerWaalsContact C-N 3.27Å; G264-Q266 PolarHBondContact O-N 2.92Å
265A96.3Very high91.4Very high2 Ų235.8 Ų35.82%0.01719%0.189CC..THydrogen-bonded Turntrans-73.5-16.7174.800000113.3E34 L35 P261 W262 E263 T267 A268 L269E34-A265 HydrophobicContact CB-CB 4.21Å; L35-A265 HydrophobicContact CB-CB 3.92Å; P261-A265 PolarHBondContact O-N 2.9Å; W262-A265 PolarHBondContact O-N 3.48Å; E263-A265 VanDerWaalsContact C-N 3.29Å; E263-A265 PolarHBondContact O-N 2.77Å; A265-T267 PolarHBondContact O-N 3.08Å; A265-A268 PolarHBondContact O-N 3.4Å; A265-L269 PolarHBondContact O-N 2.97Å
266Q97.4Very high92.6Very high0 Ų033.5 Ų33.50%019%0.192CC..Hα-helixtrans-66.4-40.7-166.9-64.6-58.9-59.800113.8L10 C11 W262 E263 G264 A268 L269 Y270L10-Q266 HydrophobicContact CB-CG 4.45Å; L10-Q266 HydrophobicContact CD2-CG 3.92Å; C11-Q266 HydrophobicContact CB-CB 4.42Å; C11-Q266 WeakPolarHBondContact CB-O 3.32Å; W262-Q266 HydrophobicContact CH2-CG 4.46Å; W262-Q266 HydrophobicContact CZ3-CG 4.34Å; W262-Q266 WeakPolarHBondContact O-CG 3.43Å; W262-Q266 PolarHBondContact O-NE2 2.95Å; E263-Q266 WeakPolarHBondContact O-CB 3.46Å; E263-Q266 VanDerWaalsContact O-CG 3.31Å; E263-Q266 WeakPolarHBondContact O-CG 3.04Å; E263-Q266 PolarHBondContact O-N 2.88Å; G264-Q266 VanDerWaalsContact C-N 3.27Å; G264-Q266 PolarHBondContact O-N 2.92Å; Q266-A268 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 3.11Å; Q266-L269 PolarHBondContact O-N 3.06Å; Q266-Y270 WeakPolarHBondContact O-CB 3.33Å; Q266-Y270 PolarHBondContact O-N 3.14Å
267T97.6Very high94Very high5 Ų530.3 Ų30.33%0.03116%0.164CC..Hα-helixtrans-67.2-35.1178.6-530000111.4V233 A265 Y270 C271 N285 C286V233-T267 HydrophobicContact CG1-CG2 3.66Å; V233-T267 HydrophobicContact CG2-CG2 4.37Å; A265-T267 PolarHBondContact O-N 3.08Å; T267-Y270 WeakPolarHBondContact O-CB 3.32Å; T267-Y270 PolarHBondContact O-N 3.48Å; T267-C271 PolarHBondContact O-N 2.78Å; T267-C271 PolarHBondContact O-SG 3.45Å; T267-N285 PolarHBondContact OG1-N 3.07Å; T267-C286 PolarHBondContact OG1-N 2.85Å
268A98.3Very high95.1Very high1 Ų129.8 Ų29.81%0.00816%0.161CC..Hα-helixtrans-67.2-44.917500000110.9L35 I175 I177 V233 A265 Q266 Y270 C271 T272L35-A268 HydrophobicContact CD1-CB 4.31Å; L35-A268 HydrophobicContact CD2-CB 3.72Å; I175-A268 HydrophobicContact CG2-CB 4.46Å; I177-A268 HydrophobicContact CD1-CB 3.8Å; V233-A268 HydrophobicContact CG1-CB 4.36Å; A265-A268 PolarHBondContact O-N 3.4Å; Q266-A268 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 3.11Å; A268-Y270 VanDerWaalsContact C-N 3.31Å; A268-Y270 PolarHBondContact O-N 3.28Å; A268-C271 CarbonylContact O-C 3.56Å; A268-C271 WeakPolarHBondContact O-CB 3.37Å; A268-C271 PolarHBondContact O-N 3.44Å; A268-C271 VanDerWaalsContact O-N 3.12Å; A268-T272 PolarHBondContact O-N 3.44Å; A268-T272 VanDerWaalsContact O-N 3.09Å
269L98.5Very high96Very high1 Ų132.9 Ų32.91%0.00518%0.18CC..Hα-helixtrans-59.9-39.8172.9-179.863.2000112.1C11 L35 E38 L39 A265 Q266 C271 T272 L273C11-L269 HydrophobicContact CB-CB 4.39Å; C11-L269 HydrophobicContact CB-CD2 4.14Å; C11-L269 HydrophobicContact CB-CG 4.24Å; L35-L269 HydrophobicContact CD1-CB 3.89Å; E38-L269 HydrophobicContact CB-CD1 4.28Å; E38-L269 HydrophobicContact CB-CD2 3.87Å; E38-L269 HydrophobicContact CG-CD2 4.22Å; L39-L269 HydrophobicContact CD2-CD1 4.1Å; A265-L269 PolarHBondContact O-N 2.97Å; Q266-L269 PolarHBondContact O-N 3.06Å; L269-C271 VanDerWaalsContact C-N 3.32Å; L269-C271 PolarHBondContact O-N 2.79Å; L269-T272 PolarHBondContact O-N 3.3Å; L269-T272 VanDerWaalsContact O-N 3.14Å; L269-T272 PolarHBondContact O-OG1 3.43Å; L269-L273 HydrophobicContact CD1-CD1 4.1Å; L269-L273 HydrophobicContact CG-CD1 4.19Å; L269-L273 WeakPolarHBondContact O-CG 3.38Å; L269-L273 PolarHBondContact O-N 3.32Å
270Y98.3Very high96.4Very high53 Ų5332.7 Ų32.721%0.20818%0.181CC..Hα-helixtrans-58.6-47.4173.3172.9-95.6000110.5L13 Q266 T267 A268 T272 L273 I274 Y283 C286L13-Y270 HydrophobicContact CD1-CD2 3.52Å; L13-Y270 HydrophobicContact CD1-CE2 3.61Å; L13-Y270 HydrophobicContact CD1-CG 4.44Å; L13-Y270 HydrophobicContact CG-CD2 4.01Å; L13-Y270 HydrophobicContact CG-CE2 4.15Å; Q266-Y270 WeakPolarHBondContact O-CB 3.33Å; Q266-Y270 PolarHBondContact O-N 3.14Å; T267-Y270 WeakPolarHBondContact O-CB 3.32Å; T267-Y270 PolarHBondContact O-N 3.48Å; A268-Y270 VanDerWaalsContact C-N 3.31Å; A268-Y270 PolarHBondContact O-N 3.28Å; Y270-T272 PolarHBondContact O-N 2.93Å; Y270-L273 PolarHBondContact O-N 2.99Å; Y270-I274 HydrophobicContact CD1-CG2 3.57Å; Y270-I274 HydrophobicContact CD2-CG2 3.85Å; Y270-I274 HydrophobicContact CE1-CD1 4.34Å; Y270-I274 HydrophobicContact CE1-CG2 3.22Å; Y270-I274 HydrophobicContact CE2-CG2 3.54Å; Y270-I274 HydrophobicContact CG-CG2 3.87Å; Y270-I274 WeakPolarHBondContact O-CG2 3.31Å; Y270-I274 PolarHBondContact O-N 2.7Å; Y270-Y283 HydrophobicContact CD1-CD1 4.37Å; Y270-Y283 AromaticContact CE1-CD1 3.91Å; Y270-Y283 HydrophobicContact CE1-CD1 3.91Å; Y270-Y283 HydrophobicContact CE1-CE1 4.16Å; Y270-C286 HydrophobicContact CD1-CB 4.27Å; Y270-C286 HydrophobicContact CD2-CB 3.73Å; Y270-C286 WeakPolarHBondContact CE1-O 3.43Å; Y270-C286 HydrophobicContact CE2-CB 4.24Å; Y270-C286 VanDerWaalsContact CE2-O 3.31Å; Y270-C286 WeakPolarHBondContact CE2-O 3.29Å; Y270-C286 HydrophobicContact CG-CB 3.74Å; Y270-C286 PolarHBondContact OH-O 3.43Å
271C98.6Very high96.8Very high0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-65.8-17.2177.9-64.50000113.7R173 I175 M231 V233 T267 A268 L269 Y283R173-C271 VanDerWaalsContact CD-O 3.25Å; R173-C271 WeakPolarHBondContact CD-O 3.5Å; R173-C271 PolarHBondContact NH1-O 2.87Å; I175-C271 HydrophobicContact CD1-CB 3.81Å; I175-C271 HydrophobicContact CG1-CB 4.21Å; M231-C271 HydrophobicContact CE-CB 4.28Å; M231-C271 HydrophobicContact SD-CB 4.16Å; V233-C271 HydrophobicContact CG2-CB 4.18Å; V233-C271 WeakPolarHBondContact CG2-SG 3.04Å; T267-C271 PolarHBondContact O-N 2.78Å; T267-C271 PolarHBondContact O-SG 3.45Å; A268-C271 CarbonylContact O-C 3.56Å; A268-C271 WeakPolarHBondContact O-CB 3.37Å; A268-C271 PolarHBondContact O-N 3.44Å; A268-C271 VanDerWaalsContact O-N 3.12Å; L269-C271 VanDerWaalsContact C-N 3.32Å; L269-C271 PolarHBondContact O-N 2.79Å; C271-Y283 VanDerWaalsContact SG-CB 3.59Å
272T98.5Very high97.1Very high2 Ų230 Ų301%0.01217%0.165CC..Hα-helixtrans-82.9-20.4170.5660000113.6L39 I125 I127 R173 I175 A268 L269 Y270L39-T272 HydrophobicContact CD2-CG2 4Å; I125-T272 HydrophobicContact CD1-CG2 3.88Å; I125-T272 HydrophobicContact CG2-CG2 4.02Å; I127-T272 HydrophobicContact CD1-CG2 3.82Å; R173-T272 PolarHBondContact NH1-O 3.37Å; R173-T272 VanDerWaalsContact NH1-O 3.09Å; I175-T272 HydrophobicContact CD1-CG2 3.45Å; I175-T272 VanDerWaalsContact CD1-CG2 3.45Å; A268-T272 PolarHBondContact O-N 3.44Å; A268-T272 VanDerWaalsContact O-N 3.09Å; L269-T272 PolarHBondContact O-N 3.3Å; L269-T272 VanDerWaalsContact O-N 3.14Å; L269-T272 PolarHBondContact O-OG1 3.43Å; Y270-T272 PolarHBondContact O-N 2.93Å
273L98.1Very high97.2Very high14 Ų1429.1 Ų29.17%0.07316%0.161CC..Hα-helixtrans-110.3-18.3-172.7-63.1174.8000114.5L13 L17 L269 Y270 N275L13-L273 HydrophobicContact CB-CB 4.08Å; L13-L273 HydrophobicContact CB-CD1 4.3Å; L13-L273 HydrophobicContact CD1-CB 4.1Å; L17-L273 HydrophobicContact CD1-CD2 4.32Å; L17-L273 HydrophobicContact CD2-CD2 4.08Å; L17-L273 HydrophobicContact CG-CD2 4.12Å; L269-L273 HydrophobicContact CD1-CD1 4.1Å; L269-L273 HydrophobicContact CG-CD1 4.19Å; L269-L273 WeakPolarHBondContact O-CG 3.38Å; L269-L273 PolarHBondContact O-N 3.32Å; Y270-L273 PolarHBondContact O-N 2.99Å; L273-N275 PolarHBondContact O-N 3.09Å
274I97.3Very high97.3Very high10 Ų1026.2 Ų26.25%0.05115%0.148CC..  trans-58.5138.4179.858-179.9000112.2L13 R173 M231 Y270 P277 Y283L13-I274 HydrophobicContact CD1-CB 4.49Å; L13-I274 HydrophobicContact CD1-CG2 3.69Å; R173-I274 VanDerWaalsContact CZ-O 3.23Å; R173-I274 PolarHBondContact NH1-O 2.97Å; R173-I274 PolarHBondContact NH2-O 3.05Å; M231-I274 HydrophobicContact SD-CD1 4.12Å; Y270-I274 HydrophobicContact CD1-CG2 3.57Å; Y270-I274 HydrophobicContact CD2-CG2 3.85Å; Y270-I274 HydrophobicContact CE1-CD1 4.34Å; Y270-I274 HydrophobicContact CE1-CG2 3.22Å; Y270-I274 HydrophobicContact CE2-CG2 3.54Å; Y270-I274 HydrophobicContact CG-CG2 3.87Å; Y270-I274 WeakPolarHBondContact O-CG2 3.31Å; Y270-I274 PolarHBondContact O-N 2.7Å; I274-P277 HydrophobicContact CD1-CB 3.57Å; I274-P277 HydrophobicContact CG1-CB 3.83Å; I274-P277 HydrophobicContact CG1-CG 4.39Å; I274-Y283 HydrophobicContact CD1-CE1 3.85Å
275N94.5Very high97.3Very high144 Ų14427.8 Ų27.877%0.7716%0.156SC*.SBendtrans-72.2-45.7-178.3-72.9-19000112.3L273 P277L273-N275 PolarHBondContact O-N 3.09Å; N275-P277 WeakPolarHBondContact O-CD 3.48Å
276D94.4Very high97.3Very high147 Ų14728.2 Ų28.279%0.78616%0.159SC*.SBendtrans-119.568.4-174.3-57.2-56.8000111.2
277P96.8Very high97.3Very high15 Ų1531.7 Ų31.710%0.09718%0.175CC..PPolyproline II helixtrans-62.3142.917426.7-33.3000111.4I229 M231 I274 N275 P279I229-P277 HydrophobicContact CB-CG 4.46Å; I229-P277 HydrophobicContact CD1-CG 3.63Å; I229-P277 HydrophobicContact CG2-CB 3.95Å; I229-P277 HydrophobicContact CG2-CG 3.95Å; M231-P277 HydrophobicContact CE-CB 4.1Å; M231-P277 HydrophobicContact SD-CB 3.44Å; M231-P277 WeakPolarHBondContact SD-CB 3.22Å; I274-P277 HydrophobicContact CD1-CB 3.57Å; I274-P277 HydrophobicContact CG1-CB 3.83Å; I274-P277 HydrophobicContact CG1-CG 4.39Å; N275-P277 WeakPolarHBondContact O-CD 3.48Å; P277-P279 WeakPolarHBondContact O-CD 3.22Å
278V97.5Very high97.2Very high52 Ų5237.4 Ų37.432%0.31520%0.196SC..PPolyproline II helixtrans-87.7118.7175.1178.40000108.6G280 G281 Y283V278-G280 PolarHBondContact O-N 2.89Å; V278-G281 WeakPolarHBondContact O-CA 3.5Å; V278-G281 PolarHBondContact O-N 2.93Å; V278-Y283 PolarHBondContact N-OH 3.45Å
279P98.1Very high97.2Very high74 Ų7440.1 Ų40.148%0.48121%0.208SC..THydrogen-bonded Turntrans-57130.7173.4-22.532.9000111.1A220 I229 P277 G281A220-P279 HydrophobicContact CB-CB 3.96Å; I229-P279 HydrophobicContact CG2-CB 4.34Å; I229-P279 HydrophobicContact CG2-CG 4.11Å; P277-P279 WeakPolarHBondContact O-CD 3.22Å; P279-G281 PolarHBondContact O-N 2.83Å
280G98.3Very high97.1Very high10 Ų1046.5 Ų46.510%0.10324%0.238CC..THydrogen-bonded Turntrans76.54.5-176.500000114.1P230 V278P230-G280 PolarHBondContact O-N 3.46Å; V278-G280 PolarHBondContact O-N 2.89Å
281G98.1Very high97Very high7 Ų745.2 Ų45.27%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-70.1149.3-176.600000113.4M231 A232 V278 P279M231-G281 WeakPolarHBondContact CA-O 3.15Å; A232-G281 PolarHBondContact N-O 3.38Å; V278-G281 WeakPolarHBondContact O-CA 3.5Å; V278-G281 PolarHBondContact O-N 2.93Å; P279-G281 PolarHBondContact O-N 2.83Å
282Y98.6Very high96.9Very high2 Ų247.3 Ų47.31%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-108.4128.6173.2-176.3-91.1000110A178 S179 N180 Y182 V213 A232 H234 R288 E289 L291A178-Y282 HydrophobicContact CB-CE2 4.06Å; S179-Y282 VanDerWaalsContact C-OH 3.25Å; S179-Y282 PolarHBondContact O-OH 3.17Å; N180-Y282 WeakPolarHBondContact CA-OH 3.43Å; N180-Y282 PolarHBondContact N-OH 2.68Å; Y182-Y282 AromaticContact CD1-CE2 3.68Å; Y182-Y282 HydrophobicContact CD1-CE2 3.68Å; Y182-Y282 AromaticContact CD1-CZ 3.69Å; Y182-Y282 WeakPolarHBondContact CD1-OH 3.45Å; Y182-Y282 HydrophobicContact CE1-CD1 4.46Å; Y182-Y282 HydrophobicContact CE1-CD2 4.27Å; Y182-Y282 AromaticContact CE1-CE1 3.9Å; Y182-Y282 HydrophobicContact CE1-CE1 3.9Å; Y182-Y282 AromaticContact CE1-CE2 3.67Å; Y182-Y282 HydrophobicContact CE1-CE2 3.67Å; Y182-Y282 AromaticContact CE1-CZ 3.44Å; Y182-Y282 VanDerWaalsContact CE1-CZ 3.44Å; Y182-Y282 WeakPolarHBondContact CE1-OH 3.48Å; V213-Y282 HydrophobicContact CG2-CD2 3.82Å; V213-Y282 HydrophobicContact CG2-CE2 3.85Å; A232-Y282 HydrophobicContact CB-CD2 3.77Å; A232-Y282 CarbonylContact O-C 3.52Å; A232-Y282 WeakPolarHBondContact O-CA 3.13Å; H234-Y282 HydrophobicContact CB-CE1 4.3Å; H234-Y282 WeakPolarHBondContact CB-OH 3.31Å; Y282-R288 WeakPolarHBondContact O-CA 3.41Å; Y282-E289 HydrophobicContact CD1-CB 4.13Å; Y282-E289 PolarHBondContact O-N 3.16Å; Y282-L291 VanDerWaalsContact CB-CD2 3.48Å; Y282-L291 HydrophobicContact CD1-CD2 4.25Å; Y282-L291 HydrophobicContact CD2-CD2 3.97Å; Y282-L291 HydrophobicContact CG-CD2 3.66Å
283Y98.2Very high96.8Very high7 Ų755.4 Ų55.43%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-124.6141.1-172.6-67.8-98000111.4M231 A232 V233 H234 Y270 C271 I274 V278 E287 R288M231-Y283 HydrophobicContact CB-CD2 4.27Å; M231-Y283 HydrophobicContact CB-CE2 4.28Å; M231-Y283 HydrophobicContact CG-CD2 4.4Å; M231-Y283 HydrophobicContact CG-CE2 3.93Å; M231-Y283 HydrophobicContact SD-CD2 4.47Å; M231-Y283 HydrophobicContact SD-CE2 3.95Å; A232-Y283 PolarHBondContact O-N 2.71Å; V233-Y283 CarbonylContact C-O 3.51Å; V233-Y283 WeakPolarHBondContact CA-O 3.31Å; H234-Y283 PolarHBondContact N-O 3.05Å; Y270-Y283 HydrophobicContact CD1-CD1 4.37Å; Y270-Y283 AromaticContact CE1-CD1 3.91Å; Y270-Y283 HydrophobicContact CE1-CD1 3.91Å; Y270-Y283 HydrophobicContact CE1-CE1 4.16Å; C271-Y283 VanDerWaalsContact SG-CB 3.59Å; I274-Y283 HydrophobicContact CD1-CE1 3.85Å; V278-Y283 PolarHBondContact N-OH 3.45Å; Y283-E287 CarbonylContact C-O 3.58Å; Y283-E287 WeakPolarHBondContact CA-O 3.42Å; Y283-E287 WeakPolarHBondContact CD1-O 3.44Å; Y283-R288 HydrophobicContact CD1-CB 4.12Å; Y283-R288 HydrophobicContact CE1-CB 3.79Å; Y283-R288 HydrophobicContact CE1-CG 4.29Å
284S96Very high96.6Very high2 Ų257.8 Ų57.81%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-155.4145.2-177.4164.60000107.6C286 E287 E289S284-C286 PolarHBondContact O-N 3.43Å; S284-C286 VanDerWaalsContact O-N 3.11Å; S284-E287 PolarHBondContact N-O 2.84Å; S284-E287 WeakPolarHBondContact O-CG 3.23Å; S284-E287 PolarHBondContact O-N 2.75Å; S284-E289 WeakPolarHBondContact CB-OE1 3.39Å; S284-E289 PolarHBondContact OG-OE1 3.1Å
285N94.9Very high96.6Very high35 Ų3557.3 Ų57.319%0.18729%0.292CS..THydrogen-bonded Turntrans46.845-177.3-67.3-52000113.4N8 R9 T267 E287N8-N285 PolarHBondContact OD1-OD1 3.23Å; R9-N285 HydrophobicContact CB-CB 4.49Å; R9-N285 VanDerWaalsContact CB-O 3.28Å; R9-N285 WeakPolarHBondContact CB-O 3.24Å; R9-N285 PolarHBondContact NE-O 3.16Å; T267-N285 PolarHBondContact OG1-N 3.07Å; N285-E287 PolarHBondContact O-N 2.99Å; N285-E287 VanDerWaalsContact O-N 3.15Å
286C96.1Very high96.7Very high12 Ų1254.1 Ų54.18%0.08128%0.275CS..THydrogen-bonded Turntrans51.732.9-177.4-57.10000114.8R9 T267 Y270 S284R9-C286 HydrophobicContact CB-CB 4.24Å; R9-C286 PolarHBondContact O-SG 2.88Å; T267-C286 PolarHBondContact OG1-N 2.85Å; Y270-C286 HydrophobicContact CD1-CB 4.27Å; Y270-C286 HydrophobicContact CD2-CB 3.73Å; Y270-C286 WeakPolarHBondContact CE1-O 3.43Å; Y270-C286 HydrophobicContact CE2-CB 4.24Å; Y270-C286 VanDerWaalsContact CE2-O 3.31Å; Y270-C286 WeakPolarHBondContact CE2-O 3.29Å; Y270-C286 HydrophobicContact CG-CB 3.74Å; Y270-C286 PolarHBondContact OH-O 3.43Å; S284-C286 PolarHBondContact O-N 3.43Å; S284-C286 VanDerWaalsContact O-N 3.11Å
287E96.1Very high96.9Very high72 Ų7250.6 Ų50.634%0.33626%0.256SS..EExtended strand (participates in β ladder)trans-142.1163171.175.2179.316400111.4R9 Y283 S284 N285 E289R9-E287 VanDerWaalsContact CZ-CD 3.44Å; R9-E287 IonicContact CZ-OE1 2.68Å; R9-E287 IonicContact CZ-OE2 3.21Å; R9-E287 IonicContact NH1-OE2 3.98Å; R9-E287 PolarHBondContact NH1-OE2 3.42Å; R9-E287 IonicContact NH2-OE1 3.84Å; R9-E287 PolarHBondContact NH2-OE1 3.01Å; R9-E287 IonicContact NH2-OE2 2.74Å; R9-E287 PolarHBondContact NH2-OE2 3.06Å; Y283-E287 CarbonylContact C-O 3.58Å; Y283-E287 WeakPolarHBondContact CA-O 3.42Å; Y283-E287 WeakPolarHBondContact CD1-O 3.44Å; S284-E287 PolarHBondContact N-O 2.84Å; S284-E287 WeakPolarHBondContact O-CG 3.23Å; S284-E287 PolarHBondContact O-N 2.75Å; N285-E287 PolarHBondContact O-N 2.99Å; N285-E287 VanDerWaalsContact O-N 3.15Å; E287-E289 HydrophobicContact CG-CG 4.45Å
288R97Very high96.9Very high126 Ų12655.6 Ų55.648%0.47528%0.278SS..EExtended strand (participates in β ladder)trans-76.6132.1170.3-166.6-174.382.4158.87.6109Y282 Y283 E290Y282-R288 WeakPolarHBondContact O-CA 3.41Å; Y283-R288 HydrophobicContact CD1-CB 4.12Å; Y283-R288 HydrophobicContact CE1-CB 3.79Å; Y283-R288 HydrophobicContact CE1-CG 4.29Å; R288-E290 IonicContact CZ-OE1 3.3Å; R288-E290 IonicContact NE-OE1 3.21Å; R288-E290 IonicContact NH2-OE1 3.63Å; R288-E290 PolarHBondContact NH2-OE1 3.41Å
289E96.2Very high96.9Very high57 Ų5757.5 Ų57.527%0.26629%0.29SS..EExtended strand (participates in β ladder)trans-113150.6171.8-72.7-177.2-169.400110.4Y282 S284 E287Y282-E289 HydrophobicContact CD1-CB 4.13Å; Y282-E289 PolarHBondContact O-N 3.16Å; S284-E289 WeakPolarHBondContact CB-OE1 3.39Å; S284-E289 PolarHBondContact OG-OE1 3.1Å; E287-E289 HydrophobicContact CG-CG 4.45Å
290E96.6Very high96.8Very high136 Ų13655.4 Ų55.464%0.63628%0.275SS*.PPolyproline II helixtrans-75.2145.6174.7-65.7-58.714200111.1R288R288-E290 IonicContact CZ-OE1 3.3Å; R288-E290 IonicContact NE-OE1 3.21Å; R288-E290 IonicContact NH2-OE1 3.63Å; R288-E290 PolarHBondContact NH2-OE1 3.41Å
291L97.2Very high96.8Very high25 Ų2555 Ų5513%0.13127%0.27CS..PPolyproline II helixtrans-89.6154.7-179.4-73.2176.2000111.9Y182 V213 R217 Y282 A295 L296Y182-L291 HydrophobicContact CE1-CD2 4.16Å; Y182-L291 HydrophobicContact CE2-CD2 4.14Å; Y182-L291 VanDerWaalsContact OH-CD2 3.32Å; Y182-L291 WeakPolarHBondContact OH-CD2 3.33Å; V213-L291 HydrophobicContact CG1-CD1 3.79Å; V213-L291 HydrophobicContact CG1-CD2 3.57Å; V213-L291 HydrophobicContact CG1-CG 4.35Å; R217-L291 HydrophobicContact CG-CD1 4.27Å; Y282-L291 VanDerWaalsContact CB-CD2 3.48Å; Y282-L291 HydrophobicContact CD1-CD2 4.25Å; Y282-L291 HydrophobicContact CD2-CD2 3.97Å; Y282-L291 HydrophobicContact CG-CD2 3.66Å; L291-A295 HydrophobicContact CB-CB 4.09Å; L291-A295 HydrophobicContact CD1-CB 4.4Å; L291-A295 HydrophobicContact CD2-CB 4.16Å; L291-A295 HydrophobicContact CG-CB 4.47Å; L291-L296 HydrophobicContact CB-CD2 3.98Å; L291-L296 HydrophobicContact CB-CG 4.02Å; L291-L296 HydrophobicContact CD1-CD2 4.34Å
292T96.5Very high96.7Very high45 Ų4560 Ų6028%0.27629%0.287SS..PPolyproline II helixtrans-69.1156.6170.564.30000111.4Y182 Q183 K294 A295 L296Y182-T292 HydrophobicContact CE2-CG2 4.17Å; Y182-T292 PolarHBondContact OH-N 2.78Å; Q183-T292 HydrophobicContact CB-CG2 4.37Å; Q183-T292 HydrophobicContact CG-CG2 3.83Å; T292-K294 PolarHBondContact O-N 3.28Å; T292-K294 VanDerWaalsContact O-N 3.17Å; T292-A295 CarbonylContact O-C 3.59Å; T292-A295 WeakPolarHBondContact O-CA 3.47Å; T292-A295 PolarHBondContact O-N 3.14Å; T292-A295 PolarHBondContact OG1-N 3.31Å; T292-L296 WeakPolarHBondContact O-CG 3.14Å; T292-L296 PolarHBondContact O-N 3.26Å
293E96.1Very high96.7Very high172 Ų17265.5 Ų65.580%0.80431%0.311SS*.Hα-helixtrans-53-39.3177-66.9-177168.900112.8A295 L296 N297E293-A295 VanDerWaalsContact C-N 3.35Å; E293-A295 PolarHBondContact O-N 2.92Å; E293-L296 CarbonylContact O-C 3.51Å; E293-L296 WeakPolarHBondContact O-CA 3.49Å; E293-L296 WeakPolarHBondContact O-CB 3.42Å; E293-L296 PolarHBondContact O-N 3.26Å; E293-N297 PolarHBondContact O-N 2.82Å
294K94.8Very high96.7Very high63 Ų6365.1 Ų65.127%0.27431%0.309SS..Hα-helixtrans-61-41.8176.1172.2163.739.3173.40112.3G185 D186 L210 T292 L296 N297G185-K294 WeakPolarHBondContact O-CE 3.41Å; G185-K294 PolarHBondContact O-NZ 2.94Å; D186-K294 IonicContact OD1-NZ 3.25Å; D186-K294 PolarHBondContact OD1-NZ 3.09Å; D186-K294 IonicContact OD2-NZ 3.05Å; L210-K294 HydrophobicContact CD1-CG 4.46Å; L210-K294 HydrophobicContact CD2-CD 3.83Å; L210-K294 HydrophobicContact CD2-CG 3.95Å; T292-K294 PolarHBondContact O-N 3.28Å; T292-K294 VanDerWaalsContact O-N 3.17Å; K294-L296 VanDerWaalsContact C-N 3.26Å; K294-L296 PolarHBondContact O-N 2.73Å; K294-N297 WeakPolarHBondContact O-CB 3.13Å; K294-N297 PolarHBondContact O-N 3.09Å
295A96.8Very high96.7Very high0 Ų065.1 Ų65.10%031%0.309CS..Hα-helixtrans-74.2-18.3174.200000112.8Y182 L210 V213 R217 L291 T292 E293Y182-A295 HydrophobicContact CD2-CB 4.15Å; Y182-A295 HydrophobicContact CE2-CB 3.66Å; L210-A295 HydrophobicContact CD1-CB 4.16Å; V213-A295 HydrophobicContact CG1-CB 3.88Å; R217-A295 VanDerWaalsContact CD-O 3.25Å; R217-A295 WeakPolarHBondContact CD-O 3.43Å; R217-A295 PolarHBondContact NH1-O 2.86Å; L291-A295 HydrophobicContact CB-CB 4.09Å; L291-A295 HydrophobicContact CD1-CB 4.4Å; L291-A295 HydrophobicContact CD2-CB 4.16Å; L291-A295 HydrophobicContact CG-CB 4.47Å; T292-A295 CarbonylContact O-C 3.59Å; T292-A295 WeakPolarHBondContact O-CA 3.47Å; T292-A295 PolarHBondContact O-N 3.14Å; T292-A295 PolarHBondContact OG1-N 3.31Å; E293-A295 VanDerWaalsContact C-N 3.35Å; E293-A295 PolarHBondContact O-N 2.92Å
296L97.3Very high96.8Very high78 Ų7866.7 Ų66.741%0.40832%0.317SS..Hα-helixtrans-84.5-13.3174.2-67.8175.3000114R217 L291 T292 E293 K294 E298R217-L296 PolarHBondContact NH1-O 3.28Å; R217-L296 PolarHBondContact NH2-O 3.34Å; L291-L296 HydrophobicContact CB-CD2 3.98Å; L291-L296 HydrophobicContact CB-CG 4.02Å; L291-L296 HydrophobicContact CD1-CD2 4.34Å; T292-L296 WeakPolarHBondContact O-CG 3.14Å; T292-L296 PolarHBondContact O-N 3.26Å; E293-L296 CarbonylContact O-C 3.51Å; E293-L296 WeakPolarHBondContact O-CA 3.49Å; E293-L296 WeakPolarHBondContact O-CB 3.42Å; E293-L296 PolarHBondContact O-N 3.26Å; K294-L296 VanDerWaalsContact C-N 3.26Å; K294-L296 PolarHBondContact O-N 2.73Å; L296-E298 PolarHBondContact O-N 3.38Å; L296-E298 VanDerWaalsContact O-N 3.11Å
297N97.4Very high96.8Very high73 Ų7366.9 Ų66.939%0.3932%0.32SS..  trans-63.7109.2-177.8-173.5-33.8000113.1E293 K294 T299 L300 S301E293-N297 PolarHBondContact O-N 2.82Å; K294-N297 WeakPolarHBondContact O-CB 3.13Å; K294-N297 PolarHBondContact O-N 3.09Å; N297-T299 PolarHBondContact OD1-N 2.85Å; N297-L300 HydrophobicContact CB-CB 3.96Å; N297-L300 PolarHBondContact O-N 3.38Å; N297-L300 PolarHBondContact OD1-N 3.19Å; N297-S301 PolarHBondContact O-N 3.24Å
298E96.9Very high96.9Very high119 Ų11963.5 Ų63.556%0.55630%0.304SS*.Hα-helixtrans-72.6-32.9-176.8-58.5-167148.800114.1K221 L296 L300 S301 R302K221-E298 IonicContact NZ-OE1 3.42Å; L296-E298 PolarHBondContact O-N 3.38Å; L296-E298 VanDerWaalsContact O-N 3.11Å; E298-L300 VanDerWaalsContact C-N 3.31Å; E298-S301 WeakPolarHBondContact CA-OG 3.23Å; E298-S301 PolarHBondContact O-OG 3.38Å; E298-R302 WeakPolarHBondContact O-CB 3.34Å; E298-R302 PolarHBondContact O-N 2.92Å
299T97.4Very high96.9Very high92 Ų9258.5 Ų58.556%0.56429%0.285SS*.Hα-helixtrans-67.1-40.3176.4-620000110.1N297 K303N297-T299 PolarHBondContact OD1-N 2.85Å; T299-K303 HydrophobicContact CG2-CD 4.31Å; T299-K303 WeakPolarHBondContact O-CG 3.47Å; T299-K303 PolarHBondContact O-N 3.01Å
300L97.2Very high96.9Very high31 Ų3163.4 Ų63.416%0.16231%0.308CS..Hα-helixtrans-68.5-42.9177.4-173.361.2000111.6I187 V189 L214 N297 E298 R302 K303 L304I187-L300 HydrophobicContact CB-CD1 4.08Å; I187-L300 HydrophobicContact CB-CD2 4.31Å; I187-L300 HydrophobicContact CB-CG 4.46Å; I187-L300 HydrophobicContact CG2-CD1 3.9Å; V189-L300 HydrophobicContact CG1-CD1 4.13Å; L214-L300 HydrophobicContact CD1-CD2 3.95Å; L214-L300 HydrophobicContact CD1-CG 3.98Å; N297-L300 HydrophobicContact CB-CB 3.96Å; N297-L300 PolarHBondContact O-N 3.38Å; N297-L300 PolarHBondContact OD1-N 3.19Å; E298-L300 VanDerWaalsContact C-N 3.31Å; L300-R302 VanDerWaalsContact C-N 3.32Å; L300-R302 PolarHBondContact O-N 2.77Å; L300-K303 PolarHBondContact O-N 3.35Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 PolarHBondContact O-N 3.31Å
301S97.2Very high96.9Very high0 Ų059.4 Ų59.40%029%0.29CS..Hα-helixtrans-60.6-42.8176.867.20000111.5E218 N297 E298 W305E218-S301 WeakPolarHBondContact OE2-CB 3.07Å; E218-S301 PolarHBondContact OE2-OG 3.24Å; N297-S301 PolarHBondContact O-N 3.24Å; E298-S301 WeakPolarHBondContact CA-OG 3.23Å; E298-S301 PolarHBondContact O-OG 3.38Å; S301-W305 VanDerWaalsContact O-CB 3.3Å; S301-W305 WeakPolarHBondContact O-CB 3.29Å; S301-W305 PolarHBondContact O-N 3.43Å
302R97.1Very high96.9Very high112 Ų11258.2 Ų58.242%0.42328%0.284SS..Hα-helixtrans-65.5-46177.3-177.455.8-176.2-122.11.6113.1E218 E298 L300 L304 W305 D306E218-R302 WeakPolarHBondContact OE1-CD 3.4Å; E298-R302 WeakPolarHBondContact O-CB 3.34Å; E298-R302 PolarHBondContact O-N 2.92Å; L300-R302 VanDerWaalsContact C-N 3.32Å; L300-R302 PolarHBondContact O-N 2.77Å; R302-L304 PolarHBondContact O-N 2.94Å; R302-W305 WeakPolarHBondContact O-CB 3.48Å; R302-W305 PolarHBondContact O-N 2.97Å; R302-D306 IonicContact CZ-OD1 3.92Å; R302-D306 IonicContact NE-OD1 2.76Å; R302-D306 PolarHBondContact NE-OD1 3.44Å; R302-D306 IonicContact NE-OD2 3.68Å; R302-D306 PolarHBondContact NE-OD2 3Å; R302-D306 IonicContact NH2-OD1 3.47Å; R302-D306 PolarHBondContact O-N 3Å
303K97.3Very high96.9Very high118 Ų11858.4 Ų58.451%0.51330%0.295SS..Hα-helixtrans-61.8-43177.4-74.4179.9178.1-174.90112.3V189 T299 L300 W305 A307V189-K303 HydrophobicContact CB-CB 4.5Å; V189-K303 HydrophobicContact CG1-CB 3.93Å; V189-K303 HydrophobicContact CG2-CB 4.36Å; V189-K303 HydrophobicContact CG2-CD 4.49Å; T299-K303 HydrophobicContact CG2-CD 4.31Å; T299-K303 WeakPolarHBondContact O-CG 3.47Å; T299-K303 PolarHBondContact O-N 3.01Å; L300-K303 PolarHBondContact O-N 3.35Å; K303-W305 VanDerWaalsContact C-N 3.32Å; K303-A307 WeakPolarHBondContact O-CB 3.38Å; K303-A307 PolarHBondContact O-N 3.27Å
304L98Very high96.9Very high0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-62.1-42.9175.8175.369.1000111.1I187 V189 L192 A211 L214 L300 R302 S308I187-L304 HydrophobicContact CD1-CD1 4.24Å; I187-L304 HydrophobicContact CD1-CD2 4.38Å; I187-L304 HydrophobicContact CG2-CD1 4.23Å; V189-L304 HydrophobicContact CG1-CB 4.38Å; L192-L304 HydrophobicContact CD1-CD1 3.97Å; L192-L304 HydrophobicContact CD2-CD1 3.83Å; A211-L304 HydrophobicContact CB-CD1 4.28Å; A211-L304 HydrophobicContact CB-CD2 3.82Å; A211-L304 WeakPolarHBondContact O-CD2 3.4Å; L214-L304 HydrophobicContact CB-CD2 3.64Å; L214-L304 HydrophobicContact CD1-CD2 3.98Å; L214-L304 HydrophobicContact CG-CD2 4.49Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 PolarHBondContact O-N 3.31Å; R302-L304 PolarHBondContact O-N 2.94Å; L304-S308 VanDerWaalsContact O-CB 3.26Å; L304-S308 WeakPolarHBondContact O-CB 3.45Å; L304-S308 PolarHBondContact O-N 3.08Å; L304-S308 PolarHBondContact O-OG 3.05Å
305W96.9Very high96.7Very high2 Ų250.9 Ų50.91%0.00827%0.266CS..Hα-helixtrans-57.8-53.6177.6171.9-83.8000111.7Y215 E218 L219 H222 S301 R302 K303 A307 S308 R309 L318Y215-W305 AromaticContact CD2-CE3 3.63Å; Y215-W305 HydrophobicContact CD2-CE3 3.63Å; Y215-W305 AromaticContact CD2-CZ3 3.65Å; Y215-W305 HydrophobicContact CD2-CZ3 3.65Å; Y215-W305 AromaticContact CE2-CE3 3.78Å; Y215-W305 HydrophobicContact CE2-CE3 3.78Å; Y215-W305 HydrophobicContact CE2-CH2 4.23Å; Y215-W305 AromaticContact CE2-CZ3 3.35Å; Y215-W305 HydrophobicContact CE2-CZ3 3.35Å; E218-W305 HydrophobicContact CB-CB 4.27Å; E218-W305 HydrophobicContact CB-CD2 4.29Å; E218-W305 HydrophobicContact CB-CE3 3.8Å; E218-W305 HydrophobicContact CG-CB 3.73Å; E218-W305 HydrophobicContact CG-CD2 3.85Å; E218-W305 HydrophobicContact CG-CE3 3.88Å; E218-W305 HydrophobicContact CG-CG 3.81Å; L219-W305 VanDerWaalsContact CA-CZ3 3.49Å; L219-W305 HydrophobicContact CB-CH2 4.35Å; L219-W305 HydrophobicContact CB-CZ3 3.73Å; L219-W305 HydrophobicContact CD1-CH2 3.59Å; L219-W305 HydrophobicContact CD1-CZ3 3.78Å; L219-W305 HydrophobicContact CG-CZ3 4.35Å; H222-W305 HydrophobicContact CB-CH2 4.28Å; H222-W305 HydrophobicContact CB-CZ2 4.31Å; H222-W305 AromaticContact CD2-CD2 3.95Å; H222-W305 AromaticContact CD2-CE2 3.43Å; H222-W305 VanDerWaalsContact CD2-CE2 3.43Å; H222-W305 AromaticContact CD2-CH2 3.74Å; H222-W305 AromaticContact CD2-CZ2 3.33Å; H222-W305 WeakPolarHBondContact CD2-CZ2 3.25Å; H222-W305 AromaticContact CD2-NE1 3.89Å; H222-W305 AromaticContact CG-CZ2 3.79Å; H222-W305 AromaticContact NE2-CD1 3.99Å; H222-W305 AromaticContact NE2-CE2 3.48Å; H222-W305 AromaticContact NE2-CZ2 3.79Å; H222-W305 AromaticContact NE2-NE1 3.41Å; H222-W305 PolarHBondContact NE2-NE1 3.04Å; S301-W305 VanDerWaalsContact O-CB 3.3Å; S301-W305 WeakPolarHBondContact O-CB 3.29Å; S301-W305 PolarHBondContact O-N 3.43Å; R302-W305 WeakPolarHBondContact O-CB 3.48Å; R302-W305 PolarHBondContact O-N 2.97Å; K303-W305 VanDerWaalsContact C-N 3.32Å; W305-A307 PolarHBondContact O-N 2.8Å; W305-S308 PolarHBondContact O-N 2.95Å; W305-R309 VanDerWaalsContact CE2-CD 3.44Å; W305-R309 WeakPolarHBondContact O-CG 3.38Å; W305-R309 PolarHBondContact O-N 2.6Å; W305-L318 HydrophobicContact CH2-CD1 3.96Å; W305-L318 HydrophobicContact CZ2-CD1 3.49Å; W305-L318 VanDerWaalsContact CZ2-CD1 3.49Å
306D95.9Very high96Very high67 Ų6756.5 Ų56.536%0.35830%0.303SS..Hα-helixtrans-60.6-47.1-179.4-66.5-31.7000110.8R302 S308 R309 E310R302-D306 IonicContact CZ-OD1 3.92Å; R302-D306 IonicContact NE-OD1 2.76Å; R302-D306 PolarHBondContact NE-OD1 3.44Å; R302-D306 IonicContact NE-OD2 3.68Å; R302-D306 PolarHBondContact NE-OD2 3Å; R302-D306 IonicContact NH2-OD1 3.47Å; R302-D306 PolarHBondContact O-N 3Å; D306-S308 PolarHBondContact O-N 3.28Å; D306-R309 PolarHBondContact O-N 3.12Å; D306-E310 PolarHBondContact O-N 2.59Å
307A96.9Very high95.1Very high17 Ų1759.1 Ų59.114%0.1432%0.317CS..Hα-helixtrans-61.5-42.4177.200000112.7L192 K303 W305 R309 E310 M311L192-A307 HydrophobicContact CD1-CB 4.35Å; K303-A307 WeakPolarHBondContact O-CB 3.38Å; K303-A307 PolarHBondContact O-N 3.27Å; W305-A307 PolarHBondContact O-N 2.8Å; A307-R309 PolarHBondContact O-N 2.96Å; A307-E310 PolarHBondContact O-N 2.98Å; A307-M311 WeakPolarHBondContact O-CB 3.36Å; A307-M311 VanDerWaalsContact O-CG 3.22Å; A307-M311 WeakPolarHBondContact O-CG 3.47Å; A307-M311 PolarHBondContact O-N 3.31Å
308S97.7Very high94.1Very high0 Ų057.2 Ų57.20%031%0.306CS..Hα-helixtrans-64.1-42.2-179.8-57.10000111.3H152 L304 W305 D306 M311 V312H152-S308 PolarHBondContact NE2-OG 3.4Å; L304-S308 VanDerWaalsContact O-CB 3.26Å; L304-S308 WeakPolarHBondContact O-CB 3.45Å; L304-S308 PolarHBondContact O-N 3.08Å; L304-S308 PolarHBondContact O-OG 3.05Å; W305-S308 PolarHBondContact O-N 2.95Å; D306-S308 PolarHBondContact O-N 3.28Å; S308-M311 PolarHBondContact O-N 2.81Å; S308-V312 WeakPolarHBondContact O-CG2 3.46Å; S308-V312 PolarHBondContact O-N 3.06Å
309R96.9Very high92.6Very high21 Ų2153.7 Ų53.78%0.07929%0.291CS..Hα-helixtrans-67.4-41.1179.4-69.2-179.582.2-134.4-2.1112.1V156 E160 W305 D306 A307 G313 L314 P315 P316 N317V156-R309 HydrophobicContact CG1-CG 4.39Å; E160-R309 VanDerWaalsContact CD-NE 3.29Å; E160-R309 WeakPolarHBondContact OE1-CD 3.25Å; E160-R309 WeakPolarHBondContact OE1-CG 3.4Å; E160-R309 IonicContact OE1-CZ 2.79Å; E160-R309 IonicContact OE1-NE 2.72Å; E160-R309 PolarHBondContact OE1-NE 3.48Å; E160-R309 IonicContact OE2-CZ 3.16Å; E160-R309 IonicContact OE2-NE 3.95Å; E160-R309 PolarHBondContact OE2-NE 3.02Å; E160-R309 IonicContact OE2-NH2 3.68Å; E160-R309 PolarHBondContact OE2-NH2 3.28Å; W305-R309 VanDerWaalsContact CE2-CD 3.44Å; W305-R309 WeakPolarHBondContact O-CG 3.38Å; W305-R309 PolarHBondContact O-N 2.6Å; D306-R309 PolarHBondContact O-N 3.12Å; A307-R309 PolarHBondContact O-N 2.96Å; R309-G313 PolarHBondContact O-N 3.31Å; R309-L314 HydrophobicContact CB-CB 4.19Å; R309-L314 HydrophobicContact CB-CD1 4.37Å; R309-L314 HydrophobicContact CG-CD1 4.07Å; R309-L314 PolarHBondContact O-N 3.19Å; R309-P315 PolarHBondContact NH2-O 3.25Å; R309-P316 PolarHBondContact NH1-O 2.97Å; R309-N317 PolarHBondContact NH2-O 2.93Å; R309-N317 VanDerWaalsContact NH2-O 3.12Å
310E95.9Very high90.9Very high161 Ų16156.9 Ų56.975%0.75231%0.305SS*.Hα-helixtrans-59.8-50.6173.3-176.6179-177.700111D306 A307 V312 G313D306-E310 PolarHBondContact O-N 2.59Å; A307-E310 PolarHBondContact O-N 2.98Å; E310-V312 VanDerWaalsContact C-N 3.29Å; E310-V312 PolarHBondContact O-N 3.11Å; E310-G313 PolarHBondContact O-N 3.48Å
311M97.3Very high89.9Confident51 Ų5157 Ų5725%0.25131%0.306SS..Hα-helixtrans-57.4-40-178.4-75179.174.100112.9F144 L153 L192 A307 S308 G313F144-M311 HydrophobicContact CD1-CE 3.36Å; F144-M311 HydrophobicContact CE1-CB 4.15Å; F144-M311 HydrophobicContact CE1-CE 3.58Å; F144-M311 HydrophobicContact CG-CE 4.27Å; F144-M311 HydrophobicContact CZ-CB 4.35Å; F144-M311 VanDerWaalsContact CZ-O 3.25Å; F144-M311 WeakPolarHBondContact CZ-O 3.45Å; L153-M311 HydrophobicContact CD1-CE 3.63Å; L153-M311 HydrophobicContact CD1-SD 4.37Å; L153-M311 HydrophobicContact CD2-CB 4.27Å; L153-M311 HydrophobicContact CD2-SD 4.24Å; L192-M311 HydrophobicContact CB-SD 4.31Å; L192-M311 HydrophobicContact CD1-SD 3.75Å; A307-M311 WeakPolarHBondContact O-CB 3.36Å; A307-M311 VanDerWaalsContact O-CG 3.22Å; A307-M311 WeakPolarHBondContact O-CG 3.47Å; A307-M311 PolarHBondContact O-N 3.31Å; S308-M311 PolarHBondContact O-N 2.81Å; M311-G313 VanDerWaalsContact C-N 3.31Å
312V97.8Very high88.2Confident1 Ų163.5 Ų63.51%0.00635%0.348CS..THydrogen-bonded Turntrans-87.71.6-179.8-55.60000113.8L106 R110 L153 V156 L157 S308 E310 L314L106-V312 HydrophobicContact CD1-CB 4.24Å; L106-V312 HydrophobicContact CD2-CB 4.24Å; L106-V312 HydrophobicContact CD2-CG1 4.01Å; R110-V312 PolarHBondContact NH2-O 3.36Å; L153-V312 HydrophobicContact CB-CG1 3.78Å; L153-V312 HydrophobicContact CD2-CG1 4.22Å; V156-V312 HydrophobicContact CG1-CG2 4.41Å; L157-V312 HydrophobicContact CB-CB 4.04Å; L157-V312 HydrophobicContact CB-CG1 4.31Å; L157-V312 HydrophobicContact CB-CG2 4.01Å; L157-V312 HydrophobicContact CD1-CB 4.39Å; L157-V312 HydrophobicContact CD1-CG2 4.14Å; L157-V312 HydrophobicContact CD2-CB 4.43Å; S308-V312 WeakPolarHBondContact O-CG2 3.46Å; S308-V312 PolarHBondContact O-N 3.06Å; E310-V312 VanDerWaalsContact C-N 3.29Å; E310-V312 PolarHBondContact O-N 3.11Å; V312-L314 HydrophobicContact CG2-CB 4.41Å; V312-L314 HydrophobicContact CG2-CD1 3.48Å; V312-L314 VanDerWaalsContact CG2-CD1 3.48Å; V312-L314 HydrophobicContact CG2-CG 3.76Å
313G96.9Very high87.8Confident48 Ų4861.1 Ų61.150%0.49534%0.344SS..THydrogen-bonded Turntrans66.446.9179.100000113R110 R309 E310 M311R110-G313 PolarHBondContact NH2-O 3.29Å; R309-G313 PolarHBondContact O-N 3.31Å; E310-G313 PolarHBondContact O-N 3.48Å; M311-G313 VanDerWaalsContact C-N 3.31Å
314L96.1Very high87.3Confident19 Ų1958.1 Ų58.110%0.09934%0.335CS..  trans-87.5149.1170.1-80.4161.2000111V156 L157 E160 R309 V312V156-L314 HydrophobicContact CG1-CD1 4.19Å; L157-L314 HydrophobicContact CD1-CD1 4.37Å; L157-L314 HydrophobicContact CD1-CD2 3.95Å; L157-L314 HydrophobicContact CD1-CG 3.96Å; E160-L314 HydrophobicContact CB-CD1 3.94Å; E160-L314 HydrophobicContact CB-CD2 3.94Å; E160-L314 VanDerWaalsContact CD-CD1 3.43Å; E160-L314 HydrophobicContact CG-CD1 4.11Å; E160-L314 WeakPolarHBondContact OE1-CD1 3.42Å; R309-L314 HydrophobicContact CB-CB 4.19Å; R309-L314 HydrophobicContact CB-CD1 4.37Å; R309-L314 HydrophobicContact CG-CD1 4.07Å; R309-L314 PolarHBondContact O-N 3.19Å; V312-L314 HydrophobicContact CG2-CB 4.41Å; V312-L314 HydrophobicContact CG2-CD1 3.48Å; V312-L314 VanDerWaalsContact CG2-CD1 3.48Å; V312-L314 HydrophobicContact CG2-CG 3.76Å
315P90.6Very high86.7Confident58 Ų5861.3 Ų61.338%0.37735%0.354SS..  trans-68.9160.1176.629.5-33.6000111.7R309 N317 L319R309-P315 PolarHBondContact NH2-O 3.25Å; P315-N317 VanDerWaalsContact C-N 3.28Å; P315-N317 PolarHBondContact O-N 3.32Å; P315-L319 HydrophobicContact CG-CD2 3.72Å; P315-L319 HydrophobicContact CG-CG 4.44Å
316P80.8Confident86.1Confident119 Ų11964.8 Ų64.877%0.77337%0.374SS*.SBendtrans-57.2-38.4-177.3-25.433.8000113.8R309R309-P316 PolarHBondContact NH1-O 2.97Å
317N79.6Confident85.5Confident132 Ų13264.6 Ų64.671%0.70638%0.375SS*.SBendtrans-87.9145.7177.7-63.1-24.8000110.8R309 P315 L319R309-N317 PolarHBondContact NH2-O 2.93Å; R309-N317 VanDerWaalsContact NH2-O 3.12Å; P315-N317 VanDerWaalsContact C-N 3.28Å; P315-N317 PolarHBondContact O-N 3.32Å; N317-L319 PolarHBondContact O-N 2.93Å
318L75.3Confident84.7Confident33 Ų3367.8 Ų67.817%0.17339%0.391CS..  trans-59.4134.1167-134.879000108L163 H222 L223 W305 N320 L321L163-L318 HydrophobicContact CD1-CD1 4.39Å; L163-L318 HydrophobicContact CD1-CD2 3.47Å; L163-L318 VanDerWaalsContact CD1-CD2 3.47Å; L163-L318 HydrophobicContact CD1-CG 3.66Å; H222-L318 HydrophobicContact CB-CD2 4.35Å; L223-L318 HydrophobicContact CD2-CD2 3.97Å; W305-L318 HydrophobicContact CH2-CD1 3.96Å; W305-L318 HydrophobicContact CZ2-CD1 3.49Å; W305-L318 VanDerWaalsContact CZ2-CD1 3.49Å; L318-N320 PolarHBondContact O-N 3.17Å; L318-L321 HydrophobicContact CD2-CD1 3.8Å
319L66.6Low83.8Confident46 Ų4672.6 Ų72.624%0.24142%0.418CS..THydrogen-bonded Turntrans-56.9105.8-170.5-71.6170.4000112E160 L161 P315 N317 L321E160-L319 WeakPolarHBondContact O-CD1 3.4Å; L161-L319 HydrophobicContact CD2-CD1 4Å; P315-L319 HydrophobicContact CG-CD2 3.72Å; P315-L319 HydrophobicContact CG-CG 4.44Å; N317-L319 PolarHBondContact O-N 2.93Å; L319-L321 PolarHBondContact O-N 2.94Å
320N61.7Low82.8Confident158 Ų15876.6 Ų76.685%0.84545%0.445SS*.THydrogen-bonded Turntrans32.548.6164-64.2-20000115.4L318L318-N320 PolarHBondContact O-N 3.17Å
321L74.6Confident81.7Confident34 Ų3469.6 Ų69.618%0.17842%0.419CS..  trans-80.2145.8163.8-64.1-178.4000108.4L163 Y167 L223 L226 L318 L319L163-L321 HydrophobicContact CB-CD1 4.29Å; L163-L321 HydrophobicContact CB-CD2 4.25Å; L163-L321 HydrophobicContact CD1-CD1 4.26Å; Y167-L321 HydrophobicContact CG-CD2 4.24Å; L223-L321 HydrophobicContact CD2-CD1 3.88Å; L226-L321 HydrophobicContact CD1-CB 4.18Å; L226-L321 HydrophobicContact CD1-CD1 3.48Å; L226-L321 VanDerWaalsContact CD1-CD1 3.48Å; L226-L321 HydrophobicContact CD1-CG 4.39Å; L318-L321 HydrophobicContact CD2-CD1 3.8Å; L319-L321 PolarHBondContact O-N 2.94Å
322P63.5Low80.3Confident136 Ų13671.3 Ų71.388%0.88343%0.434SS*.  trans-65.70-177.124.5-31.4000114.3Y167Y167-P322 HydrophobicContact CD1-CG 4.31Å; Y167-P322 HydrophobicContact CE1-CG 3.54Å; Y167-P322 HydrophobicContact CE2-CG 3.83Å; Y167-P322 VanDerWaalsContact OH-CG 3.22Å; Y167-P322 WeakPolarHBondContact OH-CG 3.37Å

Retrieved 322 of 322 residues in 683.4 ms (Link to these results)

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