A0A3Q0KH72_SCHMA Loading...

Programmed cell death protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KH72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 171 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
1M47.5Very low82.9Confident190 Ų190104.7 Ų104.794%0.93649%0.493SS*.  0-54.70-73.2-159.5-71.900113.6D3M1-D3 PolarHBondContact O-N 2.95Å
2Q51.2Low84.1Confident182 Ų182104.4 Ų104.485%0.8549%0.491SS*.Hα-helixtrans-65.3-35.9178.6-78.4-176.8-24.700113.7A6Q2-A6 PolarHBondContact O-N 3.05Å
3D77.2Confident85Confident131 Ų131104.7 Ų104.770%0.70150%0.504SS*.Hα-helixtrans-67.8-40.4179-121.9-7.4000112.5M1 Q5 A6 V7M1-D3 PolarHBondContact O-N 2.95Å; D3-Q5 VanDerWaalsContact C-N 3.35Å; D3-Q5 PolarHBondContact O-N 3.44Å; D3-A6 WeakPolarHBondContact O-CB 3.28Å; D3-A6 PolarHBondContact O-N 3.18Å; D3-A6 VanDerWaalsContact O-N 3.12Å; D3-V7 WeakPolarHBondContact O-CG2 3.49Å; D3-V7 PolarHBondContact O-N 2.74Å
4E80.2Confident85.9Confident123 Ų12398.2 Ų98.258%0.57547%0.474SS*.Hα-helixtrans-63.2-38.6-179.7-73.3174.9147.100112.7A6 V7 R8E4-A6 VanDerWaalsContact C-N 3.31Å; E4-A6 PolarHBondContact O-N 3.23Å; E4-V7 PolarHBondContact O-N 3.47Å; E4-R8 WeakPolarHBondContact O-CB 3.44Å; E4-R8 PolarHBondContact O-N 2.89Å
5Q87.5Confident86.7Confident127 Ų12792.5 Ų92.559%0.59345%0.447SS*.Hα-helixtrans-66.6-35.6175.7-72.1-174.60.200112D3 R9D3-Q5 VanDerWaalsContact C-N 3.35Å; D3-Q5 PolarHBondContact O-N 3.44Å; Q5-R9 WeakPolarHBondContact O-CG 3.35Å; Q5-R9 PolarHBondContact O-N 3.37Å
6A91.9Very high87.3Confident32 Ų3296.5 Ų96.526%0.26446%0.456SS..Hα-helixtrans-67.2-46.2175.500000111Q2 D3 E4 R8 R9 I10Q2-A6 PolarHBondContact O-N 3.05Å; D3-A6 WeakPolarHBondContact O-CB 3.28Å; D3-A6 PolarHBondContact O-N 3.18Å; D3-A6 VanDerWaalsContact O-N 3.12Å; E4-A6 VanDerWaalsContact C-N 3.31Å; E4-A6 PolarHBondContact O-N 3.23Å; A6-R8 VanDerWaalsContact C-N 3.32Å; A6-R8 PolarHBondContact O-N 3.43Å; A6-R9 PolarHBondContact O-N 3.26Å; A6-I10 WeakPolarHBondContact O-CG1 3.45Å; A6-I10 PolarHBondContact O-N 3.43Å; A6-I10 VanDerWaalsContact O-N 3.16Å
7V93.8Very high87.8Confident10 Ų1095.9 Ų95.96%0.06146%0.456CS..Hα-helixtrans-61-41.8176.9176.20000111.2D3 E4 R9 I10 F11 F64 V65 F68D3-V7 WeakPolarHBondContact O-CG2 3.49Å; D3-V7 PolarHBondContact O-N 2.74Å; E4-V7 PolarHBondContact O-N 3.47Å; V7-R9 PolarHBondContact O-N 3.41Å; V7-I10 WeakPolarHBondContact O-CB 3.3Å; V7-I10 PolarHBondContact O-N 2.98Å; V7-I10 VanDerWaalsContact O-N 3.14Å; V7-F11 PolarHBondContact O-N 3.24Å; V7-F64 HydrophobicContact CG1-CD1 3.72Å; V7-F64 HydrophobicContact CG1-CE1 3.98Å; V7-V65 HydrophobicContact CG1-CG2 3.88Å; V7-F68 HydrophobicContact CG1-CB 4.49Å; V7-F68 HydrophobicContact CG2-CD1 3.79Å; V7-F68 HydrophobicContact CG2-CE1 4.09Å
8R95Very high88.3Confident138 Ų138102.5 Ų102.552%0.52148%0.476SS..Hα-helixtrans-60.7-41.4176.2-177.2175.8176.3156.66.6113E4 A6 I10 F11 E12 L61E4-R8 WeakPolarHBondContact O-CB 3.44Å; E4-R8 PolarHBondContact O-N 2.89Å; A6-R8 VanDerWaalsContact C-N 3.32Å; A6-R8 PolarHBondContact O-N 3.43Å; R8-I10 VanDerWaalsContact C-N 3.28Å; R8-I10 PolarHBondContact O-N 3.49Å; R8-F11 WeakPolarHBondContact O-CB 3.38Å; R8-F11 PolarHBondContact O-N 3.12Å; R8-E12 WeakPolarHBondContact CG-OE1 3.23Å; R8-E12 IonicContact CZ-OE1 3.94Å; R8-E12 IonicContact NE-OE1 3.05Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 3.95Å; R8-E12 WeakPolarHBondContact O-CG 3.36Å; R8-E12 PolarHBondContact O-N 3.38Å; R8-L61 HydrophobicContact CB-CD1 4.24Å; R8-L61 HydrophobicContact CG-CD1 4.32Å; R8-L61 HydrophobicContact CG-CD2 4.07Å
9R95.2Very high88.8Confident145 Ų145101.7 Ų101.755%0.54748%0.475SS..Hα-helixtrans-63.3-36175.4-73.5-174-67.1-109.21.1112.3Q5 A6 V7 T13Q5-R9 WeakPolarHBondContact O-CG 3.35Å; Q5-R9 PolarHBondContact O-N 3.37Å; A6-R9 PolarHBondContact O-N 3.26Å; V7-R9 PolarHBondContact O-N 3.41Å; R9-T13 PolarHBondContact O-N 2.8Å; R9-T13 PolarHBondContact O-OG1 3.26Å
10I95.9Very high89.2Confident63 Ų6398.4 Ų98.432%0.32347%0.47SS..Hα-helixtrans-67.9-46.7175.3-63.1170.3000109.4A6 V7 R8 E12 T13 V14 F64 F68A6-I10 WeakPolarHBondContact O-CG1 3.45Å; A6-I10 PolarHBondContact O-N 3.43Å; A6-I10 VanDerWaalsContact O-N 3.16Å; V7-I10 WeakPolarHBondContact O-CB 3.3Å; V7-I10 PolarHBondContact O-N 2.98Å; V7-I10 VanDerWaalsContact O-N 3.14Å; R8-I10 VanDerWaalsContact C-N 3.28Å; R8-I10 PolarHBondContact O-N 3.49Å; I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 PolarHBondContact O-N 2.88Å; I10-T13 WeakPolarHBondContact O-CA 3.09Å; I10-T13 WeakPolarHBondContact O-CB 3.28Å; I10-T13 PolarHBondContact O-N 3.29Å; I10-V14 HydrophobicContact CG2-CG2 4.25Å; I10-V14 WeakPolarHBondContact O-CG2 3.47Å; I10-V14 PolarHBondContact O-N 2.74Å; I10-F64 HydrophobicContact CB-CE1 4.36Å; I10-F64 HydrophobicContact CG2-CE1 4.07Å; I10-F64 HydrophobicContact CG2-CZ 3.92Å; I10-F68 HydrophobicContact CD1-CE1 4.13Å; I10-F68 HydrophobicContact CD1-CE2 3.6Å; I10-F68 HydrophobicContact CD1-CZ 3.34Å; I10-F68 HydrophobicContact CG2-CD2 4.4Å; I10-F68 HydrophobicContact CG2-CE2 4.08Å
11F97Very high89.6Confident11 Ų1195.8 Ų95.85%0.04846%0.459CS..Hα-helixtrans-51.5-52.1175.4-179-86.2000111.6V7 R8 T13 V14 D15 G20 I22 L61 F64V7-F11 PolarHBondContact O-N 3.24Å; R8-F11 WeakPolarHBondContact O-CB 3.38Å; R8-F11 PolarHBondContact O-N 3.12Å; F11-T13 PolarHBondContact O-N 2.87Å; F11-T13 VanDerWaalsContact O-N 3.08Å; F11-V14 PolarHBondContact O-N 3.44Å; F11-D15 HydrophobicContact CD1-CB 4.38Å; F11-D15 HydrophobicContact CE1-CB 4Å; F11-D15 HydrophobicContact CZ-CB 4.42Å; F11-D15 WeakPolarHBondContact O-CB 3.36Å; F11-D15 PolarHBondContact O-N 3.25Å; F11-G20 WeakPolarHBondContact CZ-O 3.48Å; F11-I22 HydrophobicContact CD2-CD1 3.35Å; F11-I22 HydrophobicContact CD2-CG1 4.08Å; F11-I22 HydrophobicContact CE2-CD1 3.42Å; F11-I22 VanDerWaalsContact CE2-CD1 3.42Å; F11-I22 HydrophobicContact CE2-CG1 3.66Å; F11-I22 HydrophobicContact CG-CD1 4.17Å; F11-I22 HydrophobicContact CZ-CD1 4.27Å; F11-I22 HydrophobicContact CZ-CG1 4.09Å; F11-L61 HydrophobicContact CB-CD1 3.65Å; F11-L61 HydrophobicContact CD1-CD1 4.15Å; F11-L61 HydrophobicContact CD2-CB 4.32Å; F11-L61 HydrophobicContact CD2-CD1 3.97Å; F11-L61 HydrophobicContact CE1-CB 4.47Å; F11-L61 HydrophobicContact CE2-CB 4.27Å; F11-L61 HydrophobicContact CG-CB 4.44Å; F11-L61 HydrophobicContact CG-CD1 3.64Å; F11-L61 HydrophobicContact CZ-CB 4.36Å; F11-F64 HydrophobicContact CB-CD1 3.81Å; F11-F64 HydrophobicContact CB-CE1 3.99Å; F11-F64 HydrophobicContact CB-CG 4.48Å; F11-F64 HydrophobicContact CD2-CB 3.6Å; F11-F64 AromaticContact CD2-CD1 3.8Å; F11-F64 HydrophobicContact CD2-CD1 3.8Å; F11-F64 HydrophobicContact CD2-CD2 4.19Å; F11-F64 AromaticContact CD2-CG 3.61Å; F11-F64 HydrophobicContact CD2-CG 3.61Å; F11-F64 HydrophobicContact CE2-CB 4.06Å; F11-F64 HydrophobicContact CE2-CG 4.4Å; F11-F64 HydrophobicContact CG-CD1 4.32Å
12E96.5Very high92Very high101 Ų10186.8 Ų86.847%0.47241%0.414SS..Hα-helixtrans-62.9-17179-69.2167.8-177.200113.8R8 I10R8-E12 WeakPolarHBondContact CG-OE1 3.23Å; R8-E12 IonicContact CZ-OE1 3.94Å; R8-E12 IonicContact NE-OE1 3.05Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 3.95Å; R8-E12 WeakPolarHBondContact O-CG 3.36Å; R8-E12 PolarHBondContact O-N 3.38Å; I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 PolarHBondContact O-N 2.88Å
13T96.6Very high94.2Very high108 Ų10880 Ų8066%0.66338%0.384SS*.Hα-helixtrans-89.1-30173.9-53.20000112R9 I10 F11R9-T13 PolarHBondContact O-N 2.8Å; R9-T13 PolarHBondContact O-OG1 3.26Å; I10-T13 WeakPolarHBondContact O-CA 3.09Å; I10-T13 WeakPolarHBondContact O-CB 3.28Å; I10-T13 PolarHBondContact O-N 3.29Å; F11-T13 PolarHBondContact O-N 2.87Å; F11-T13 VanDerWaalsContact O-N 3.08Å
14V96.8Very high95.1Very high14 Ų1477.4 Ų77.49%0.08537%0.367CS..Hα-helixtrans-81.3-43178.9177.90000111I10 F11 R16 I22 A30 F64I10-V14 HydrophobicContact CG2-CG2 4.25Å; I10-V14 WeakPolarHBondContact O-CG2 3.47Å; I10-V14 PolarHBondContact O-N 2.74Å; F11-V14 PolarHBondContact O-N 3.44Å; V14-R16 PolarHBondContact O-N 2.95Å; V14-I22 HydrophobicContact CB-CD1 3.82Å; V14-I22 HydrophobicContact CB-CG1 4.32Å; V14-I22 HydrophobicContact CG1-CB 4.45Å; V14-I22 HydrophobicContact CG1-CD1 3.61Å; V14-I22 HydrophobicContact CG1-CG1 3.88Å; V14-I22 HydrophobicContact CG1-CG2 3.7Å; V14-A30 HydrophobicContact CB-CB 4.17Å; V14-A30 HydrophobicContact CG1-CB 3.64Å; V14-A30 HydrophobicContact CG2-CB 3.59Å; V14-F64 HydrophobicContact CG2-CZ 4.41Å
15D97.8Very high95.9Very high12 Ų1277 Ų776%0.06437%0.366CS..  trans-68.289.5171.6175.76.3000109.3F11 N17 R18 D19 G20 I22F11-D15 HydrophobicContact CD1-CB 4.38Å; F11-D15 HydrophobicContact CE1-CB 4Å; F11-D15 HydrophobicContact CZ-CB 4.42Å; F11-D15 WeakPolarHBondContact O-CB 3.36Å; F11-D15 PolarHBondContact O-N 3.25Å; D15-N17 PolarHBondContact OD1-OD1 3.46Å; D15-N17 VanDerWaalsContact OD1-OD1 3.05Å; D15-R18 WeakPolarHBondContact OD1-CA 3.35Å; D15-R18 PolarHBondContact OD1-N 3.16Å; D15-R18 WeakPolarHBondContact OD2-CA 3.44Å; D15-D19 PolarHBondContact OD1-N 3.04Å; D15-G20 WeakPolarHBondContact OD2-CA 3.12Å; D15-G20 PolarHBondContact OD2-N 3.07Å; D15-I22 HydrophobicContact CB-CG1 4.2Å
16R96.4Very high96.4Very high157 Ų15771.5 Ų71.559%0.59234%0.34SS*.SBendtrans-80.1-37.1-172.2-73.1-174.5178.2-173.92.2111.1V14 R18 E26V14-R16 PolarHBondContact O-N 2.95Å; R16-R18 VanDerWaalsContact C-N 3.29Å; R16-E26 PolarHBondContact N-OE1 3.34Å
17N97Very high96.7Very high86 Ų8670.2 Ų70.246%0.4633%0.328SS..SBendtrans-80.7-13.3-179.475.49.1000112.2D15 D19 E26D15-N17 PolarHBondContact OD1-OD1 3.46Å; D15-N17 VanDerWaalsContact OD1-OD1 3.05Å; N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact ND2-OD2 3.23Å; N17-D19 VanDerWaalsContact OD1-CB 3.29Å; N17-D19 WeakPolarHBondContact OD1-CB 3.4Å; N17-D19 PolarHBondContact OD1-N 3.34Å; N17-D19 PolarHBondContact OD1-OD2 2.93Å; N17-E26 PolarHBondContact N-OE1 2.99Å; N17-E26 VanDerWaalsContact N-OE1 3.1Å
18R96.3Very high96.9Very high215 Ų21572 Ų7281%0.81134%0.336SS*.  trans61.933.9-179.7-57-178.4178.7169.7-0.2113.2D15 R16D15-R18 WeakPolarHBondContact OD1-CA 3.35Å; D15-R18 PolarHBondContact OD1-N 3.16Å; D15-R18 WeakPolarHBondContact OD2-CA 3.44Å; R16-R18 VanDerWaalsContact C-N 3.29Å
19D97.3Very high96.9Very high87 Ų8770.4 Ų70.447%0.46534%0.338SS..SBendtrans-82.2-6.1175.678.426.1000112.8D15 N17 N21D15-D19 PolarHBondContact OD1-N 3.04Å; N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact ND2-OD2 3.23Å; N17-D19 VanDerWaalsContact OD1-CB 3.29Å; N17-D19 WeakPolarHBondContact OD1-CB 3.4Å; N17-D19 PolarHBondContact OD1-N 3.34Å; N17-D19 PolarHBondContact OD1-OD2 2.93Å; D19-N21 PolarHBondContact O-ND2 3.35Å; D19-N21 WeakPolarHBondContact OD1-CA 3.45Å; D19-N21 WeakPolarHBondContact OD1-CB 3.5Å; D19-N21 PolarHBondContact OD1-N 2.76Å; D19-N21 PolarHBondContact OD1-ND2 2.87Å; D19-N21 VanDerWaalsContact OD1-O 3.12Å
20G96.8Very high96.9Very high36 Ų3665.9 Ų65.937%0.37133%0.331SS..SBendtrans88.55.4179.500000113.9F11 D15F11-G20 WeakPolarHBondContact CZ-O 3.48Å; D15-G20 WeakPolarHBondContact OD2-CA 3.12Å; D15-G20 PolarHBondContact OD2-N 3.07Å
21N97.8Very high97Very high44 Ų4464.3 Ų64.324%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-134.8153.3175.7-47.3-87.6000110D19 T58 I59D19-N21 PolarHBondContact O-ND2 3.35Å; D19-N21 WeakPolarHBondContact OD1-CA 3.45Å; D19-N21 WeakPolarHBondContact OD1-CB 3.5Å; D19-N21 PolarHBondContact OD1-N 2.76Å; D19-N21 PolarHBondContact OD1-ND2 2.87Å; D19-N21 VanDerWaalsContact OD1-O 3.12Å; N21-T58 HydrophobicContact CB-CG2 4.42Å; N21-T58 VanDerWaalsContact CB-OG1 3.29Å; N21-T58 WeakPolarHBondContact CB-OG1 3.32Å; N21-I59 CarbonylContact C-O 3.59Å; N21-I59 WeakPolarHBondContact CA-O 3.48Å
22I98.1Very high96.8Very high0 Ų067.8 Ų67.80%035%0.349CS..EExtended strand (participates in β ladder)trans-104118.1175.7-66.2167.3000108.6F11 V14 D15 E26 L27 T58 I59 F64F11-I22 HydrophobicContact CD2-CD1 3.35Å; F11-I22 HydrophobicContact CD2-CG1 4.08Å; F11-I22 HydrophobicContact CE2-CD1 3.42Å; F11-I22 VanDerWaalsContact CE2-CD1 3.42Å; F11-I22 HydrophobicContact CE2-CG1 3.66Å; F11-I22 HydrophobicContact CG-CD1 4.17Å; F11-I22 HydrophobicContact CZ-CD1 4.27Å; F11-I22 HydrophobicContact CZ-CG1 4.09Å; V14-I22 HydrophobicContact CB-CD1 3.82Å; V14-I22 HydrophobicContact CB-CG1 4.32Å; V14-I22 HydrophobicContact CG1-CB 4.45Å; V14-I22 HydrophobicContact CG1-CD1 3.61Å; V14-I22 HydrophobicContact CG1-CG1 3.88Å; V14-I22 HydrophobicContact CG1-CG2 3.7Å; D15-I22 HydrophobicContact CB-CG1 4.2Å; I22-E26 WeakPolarHBondContact CA-OE2 3.31Å; I22-E26 HydrophobicContact CG2-CB 4.03Å; I22-L27 HydrophobicContact CG2-CB 3.76Å; I22-T58 CarbonylContact O-C 3.57Å; I22-T58 WeakPolarHBondContact O-CA 3.42Å; I22-T58 WeakPolarHBondContact O-CB 3.35Å; I22-I59 HydrophobicContact CB-CB 4.32Å; I22-I59 PolarHBondContact N-O 2.96Å; I22-I59 PolarHBondContact O-N 2.87Å; I22-F64 HydrophobicContact CD1-CD2 3.45Å; I22-F64 VanDerWaalsContact CD1-CD2 3.45Å; I22-F64 HydrophobicContact CD1-CE2 3.61Å; I22-F64 HydrophobicContact CD1-CG 4.09Å; I22-F64 HydrophobicContact CD1-CZ 4.35Å
23D97.1Very high96.7Very high39 Ų3963.1 Ų63.121%0.20933%0.327CS..  trans-84175.1172.977.628.2000112.9Q25 E26 L27 T58D23-Q25 VanDerWaalsContact C-N 3.27Å; D23-Q25 PolarHBondContact O-N 3.01Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.45Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; D23-Q25 PolarHBondContact OD1-N 3.37Å; D23-E26 PolarHBondContact N-OE2 2.85Å; D23-E26 VanDerWaalsContact N-OE2 3.09Å; D23-E26 PolarHBondContact O-N 2.96Å; D23-E26 PolarHBondContact OD1-N 3.14Å; D23-L27 WeakPolarHBondContact O-CB 3.14Å; D23-L27 PolarHBondContact O-N 3.3Å; D23-T58 HydrophobicContact CB-CG2 4.16Å
24H96.3Very high96.3Very high77 Ų7760.9 Ų60.936%0.35633%0.325SS..Hα-helixtrans-63.1-28.7179.368.8-81.3000114Q28 V44 I48H24-Q28 WeakPolarHBondContact O-CB 3.18Å; H24-Q28 PolarHBondContact O-N 3.08Å; H24-V44 HydrophobicContact CB-CG1 4.15Å; H24-V44 WeakPolarHBondContact O-CG1 3.49Å; H24-I48 HydrophobicContact CB-CD1 3.69Å
25Q97.4Very high96Very high115 Ų11562.5 Ų62.554%0.53733%0.333SS..Hα-helixtrans-77.3-44.8179-57.2-174-15.700110.5D23 Q28 L29D23-Q25 VanDerWaalsContact C-N 3.27Å; D23-Q25 PolarHBondContact O-N 3.01Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.45Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; D23-Q25 PolarHBondContact OD1-N 3.37Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q25-L29 WeakPolarHBondContact O-CB 3.44Å; Q25-L29 WeakPolarHBondContact O-CD1 3.45Å; Q25-L29 VanDerWaalsContact O-CG 3.22Å; Q25-L29 WeakPolarHBondContact O-CG 3.32Å; Q25-L29 PolarHBondContact O-N 2.85Å
26E97.8Very high95.6Very high12 Ų1265.7 Ų65.76%0.05637%0.368CS..Hα-helixtrans-60-46.9175.7-71.3179.7138.600111.2R16 N17 I22 D23 L29 A30R16-E26 PolarHBondContact N-OE1 3.34Å; N17-E26 PolarHBondContact N-OE1 2.99Å; N17-E26 VanDerWaalsContact N-OE1 3.1Å; I22-E26 WeakPolarHBondContact CA-OE2 3.31Å; I22-E26 HydrophobicContact CG2-CB 4.03Å; D23-E26 PolarHBondContact N-OE2 2.85Å; D23-E26 VanDerWaalsContact N-OE2 3.09Å; D23-E26 PolarHBondContact O-N 2.96Å; D23-E26 PolarHBondContact OD1-N 3.14Å; E26-L29 PolarHBondContact O-N 2.96Å; E26-A30 WeakPolarHBondContact O-CB 3.37Å; E26-A30 PolarHBondContact O-N 3Å
27L97.4Very high95.4Very high4 Ų460.6 Ų60.62%0.02136%0.355CS..Hα-helixtrans-63.4-43.7175.9-173.855.9000112I22 D23 L29 A30 L31 V44 I48 L67I22-L27 HydrophobicContact CG2-CB 3.76Å; D23-L27 WeakPolarHBondContact O-CB 3.14Å; D23-L27 PolarHBondContact O-N 3.3Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 2.85Å; L27-A30 PolarHBondContact O-N 2.78Å; L27-L31 HydrophobicContact CD1-CD1 3.87Å; L27-L31 HydrophobicContact CD1-CG 4.06Å; L27-L31 HydrophobicContact CG-CD1 3.94Å; L27-L31 HydrophobicContact CG-CG 4.49Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 2.94Å; L27-L31 VanDerWaalsContact O-N 3.12Å; L27-V44 HydrophobicContact CB-CG1 3.95Å; L27-V44 HydrophobicContact CD2-CG1 3.83Å; L27-V44 HydrophobicContact CG-CG1 3.95Å; L27-I48 HydrophobicContact CD2-CD1 4.19Å; L27-I48 HydrophobicContact CD2-CG1 3.81Å; L27-L67 HydrophobicContact CD1-CD2 4.1Å; L27-L67 HydrophobicContact CD2-CD2 3.72Å
28Q97.6Very high95.4Very high48 Ų4861.2 Ų61.222%0.22436%0.364CS..Hα-helixtrans-60.9-40178.2-171.9-178.32600112.1H24 Q25 F39 V44H24-Q28 WeakPolarHBondContact O-CB 3.18Å; H24-Q28 PolarHBondContact O-N 3.08Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q28-F39 HydrophobicContact CG-CB 4.19Å; Q28-F39 WeakPolarHBondContact CG-O 3.33Å; Q28-F39 PolarHBondContact NE2-O 3.29Å; Q28-V44 HydrophobicContact CB-CG2 3.95Å; Q28-V44 HydrophobicContact CG-CG2 4.19Å
29L96.5Very high95.4Very high105 Ų10551 Ų5155%0.5533%0.325SS..Hα-helixtrans-74.4-27.3180-71.6168.4000112.8Q25 E26 L27Q25-L29 WeakPolarHBondContact O-CB 3.44Å; Q25-L29 WeakPolarHBondContact O-CD1 3.45Å; Q25-L29 VanDerWaalsContact O-CG 3.22Å; Q25-L29 WeakPolarHBondContact O-CG 3.32Å; Q25-L29 PolarHBondContact O-N 2.85Å; E26-L29 PolarHBondContact O-N 2.96Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 2.85Å
30A95.5Very high95.4Very high49 Ų4947.1 Ų47.141%0.40530%0.304SS..Hα-helixtrans-78.4-27.4176.900000113.4V14 E26 L27V14-A30 HydrophobicContact CB-CB 4.17Å; V14-A30 HydrophobicContact CG1-CB 3.64Å; V14-A30 HydrophobicContact CG2-CB 3.59Å; E26-A30 WeakPolarHBondContact O-CB 3.37Å; E26-A30 PolarHBondContact O-N 3Å; L27-A30 PolarHBondContact O-N 2.78Å
31L96.1Very high95.3Very high31 Ų3148.1 Ų48.116%0.16231%0.306CS..  trans-88.6140.6-178.4-65.4174000112L27 F39 M47 V71L27-L31 HydrophobicContact CD1-CD1 3.87Å; L27-L31 HydrophobicContact CD1-CG 4.06Å; L27-L31 HydrophobicContact CG-CD1 3.94Å; L27-L31 HydrophobicContact CG-CG 4.49Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 2.94Å; L27-L31 VanDerWaalsContact O-N 3.12Å; L31-F39 HydrophobicContact CB-CB 4.14Å; L31-F39 HydrophobicContact CB-CD1 4.32Å; L31-F39 HydrophobicContact CB-CD2 3.43Å; L31-F39 VanDerWaalsContact CB-CD2 3.43Å; L31-F39 HydrophobicContact CB-CE2 3.77Å; L31-F39 HydrophobicContact CB-CG 3.73Å; L31-F39 HydrophobicContact CB-CZ 4.35Å; L31-F39 HydrophobicContact CD1-CD1 4.11Å; L31-F39 HydrophobicContact CD1-CD2 4.42Å; L31-F39 HydrophobicContact CD1-CE1 3.88Å; L31-F39 HydrophobicContact CD1-CE2 4.21Å; L31-F39 HydrophobicContact CD1-CG 4.36Å; L31-F39 HydrophobicContact CD1-CZ 3.94Å; L31-F39 HydrophobicContact CG-CE2 4.5Å; L31-M47 HydrophobicContact CD1-SD 4.12Å; L31-V71 HydrophobicContact CD2-CG1 3.98Å; L31-V71 HydrophobicContact CD2-CG2 4.4Å
32S94.6Very high95.1Very high83 Ų8352.7 Ų52.758%0.5832%0.32SS*.  trans-115.4138.6173-176.20000110.4G34S32-G34 PolarHBondContact OG-N 3.22Å
33N93.2Very high95Very high3 Ų352.7 Ų52.72%0.01632%0.32CS..  trans-97.62.9174.766.39.1000113.7I35 T37 F39 A126 D128N33-I35 VanDerWaalsContact C-N 3.33Å; N33-I35 PolarHBondContact O-N 2.73Å; N33-I35 WeakPolarHBondContact OD1-CG1 3.4Å; N33-I35 PolarHBondContact OD1-N 2.82Å; N33-I35 VanDerWaalsContact OD1-N 3.16Å; N33-T37 PolarHBondContact ND2-O 2.89Å; N33-T37 PolarHBondContact ND2-OG1 2.78Å; N33-T37 PolarHBondContact OD1-O 3.21Å; N33-F39 HydrophobicContact CB-CD2 4.18Å; N33-A126 HydrophobicContact CB-CB 4.36Å; N33-D128 HydrophobicContact CB-CB 4.2Å; N33-D128 VanDerWaalsContact CB-CG 3.44Å; N33-D128 WeakPolarHBondContact CB-OD2 3.43Å; N33-D128 PolarHBondContact ND2-OD2 3.48Å
34G87.7Confident95Very high61 Ų6150.9 Ų50.963%0.62931%0.31SS*.SBendtrans86.1-14.6176.700000116S32S32-G34 PolarHBondContact OG-N 3.22Å
35I90.6Very high94.9Very high49 Ų4951.7 Ų51.725%0.25131%0.314SS..SBendtrans-112.16.5-17457.7164.8000114.3N33 T37 L88 N120 A126N33-I35 VanDerWaalsContact C-N 3.33Å; N33-I35 PolarHBondContact O-N 2.73Å; N33-I35 WeakPolarHBondContact OD1-CG1 3.4Å; N33-I35 PolarHBondContact OD1-N 2.82Å; N33-I35 VanDerWaalsContact OD1-N 3.16Å; I35-T37 VanDerWaalsContact C-N 3.31Å; I35-T37 HydrophobicContact CD1-CG2 4.4Å; I35-T37 WeakPolarHBondContact CD1-OG1 3.29Å; I35-T37 PolarHBondContact O-N 2.84Å; I35-L88 HydrophobicContact CG2-CD2 3.67Å; I35-L88 HydrophobicContact CG2-CG 4.13Å; I35-N120 WeakPolarHBondContact CD1-ND2 3.41Å; I35-A126 HydrophobicContact CD1-CB 3.76Å; I35-A126 HydrophobicContact CG1-CB 4.16Å
36G89.9Confident94.7Very high78 Ų7846.6 Ų46.680%0.80429%0.29SS*.SBendtrans77.411.2175.400000115
37T93.4Very high94.6Very high51 Ų5146 Ų4631%0.31329%0.288SS..SBendtrans-98.2157.4169.859.20000110.6N33 I35 F39N33-T37 PolarHBondContact ND2-O 2.89Å; N33-T37 PolarHBondContact ND2-OG1 2.78Å; N33-T37 PolarHBondContact OD1-O 3.21Å; I35-T37 VanDerWaalsContact C-N 3.31Å; I35-T37 HydrophobicContact CD1-CG2 4.4Å; I35-T37 WeakPolarHBondContact CD1-OG1 3.29Å; I35-T37 PolarHBondContact O-N 2.84Å; T37-F39 PolarHBondContact O-N 3.05Å
38P95.4Very high94.5Very high98 Ų9846.4 Ų46.464%0.63629%0.29SS*.PPolyproline II helixtrans-57.1138.4173.9-24.634.5000111.6
39F97.3Very high94.3Very high1 Ų146.7 Ų46.70%0.00430%0.297CS..PPolyproline II helixtrans-55.6142.4176.3-158.6-86.2000110.2Q28 L31 N33 T37 S41 T43 V44 M47 F127 D128 I131Q28-F39 HydrophobicContact CG-CB 4.19Å; Q28-F39 WeakPolarHBondContact CG-O 3.33Å; Q28-F39 PolarHBondContact NE2-O 3.29Å; L31-F39 HydrophobicContact CB-CB 4.14Å; L31-F39 HydrophobicContact CB-CD1 4.32Å; L31-F39 HydrophobicContact CB-CD2 3.43Å; L31-F39 VanDerWaalsContact CB-CD2 3.43Å; L31-F39 HydrophobicContact CB-CE2 3.77Å; L31-F39 HydrophobicContact CB-CG 3.73Å; L31-F39 HydrophobicContact CB-CZ 4.35Å; L31-F39 HydrophobicContact CD1-CD1 4.11Å; L31-F39 HydrophobicContact CD1-CD2 4.42Å; L31-F39 HydrophobicContact CD1-CE1 3.88Å; L31-F39 HydrophobicContact CD1-CE2 4.21Å; L31-F39 HydrophobicContact CD1-CG 4.36Å; L31-F39 HydrophobicContact CD1-CZ 3.94Å; L31-F39 HydrophobicContact CG-CE2 4.5Å; N33-F39 HydrophobicContact CB-CD2 4.18Å; T37-F39 PolarHBondContact O-N 3.05Å; F39-S41 PolarHBondContact O-N 2.81Å; F39-T43 HydrophobicContact CE1-CG2 3.67Å; F39-T43 HydrophobicContact CZ-CG2 4.24Å; F39-V44 HydrophobicContact CD1-CG2 3.64Å; F39-V44 HydrophobicContact CE1-CG2 4.25Å; F39-M47 HydrophobicContact CE1-CE 4.39Å; F39-M47 HydrophobicContact CE1-SD 4.45Å; F39-M47 HydrophobicContact CZ-CE 4.18Å; F39-F127 AromaticContact CE2-CD1 3.88Å; F39-F127 HydrophobicContact CE2-CD1 3.88Å; F39-F127 HydrophobicContact CE2-CE1 4.08Å; F39-F127 HydrophobicContact CZ-CD1 4.43Å; F39-F127 HydrophobicContact CZ-CE1 4.37Å; F39-D128 VanDerWaalsContact CA-OD2 3.31Å; F39-D128 WeakPolarHBondContact CA-OD2 3.29Å; F39-D128 HydrophobicContact CD1-CB 3.7Å; F39-D128 HydrophobicContact CD2-CB 3.74Å; F39-D128 HydrophobicContact CE1-CB 3.51Å; F39-D128 HydrophobicContact CE2-CB 3.55Å; F39-D128 HydrophobicContact CG-CB 3.84Å; F39-D128 HydrophobicContact CZ-CB 3.42Å; F39-D128 VanDerWaalsContact CZ-CB 3.42Å; F39-I131 HydrophobicContact CZ-CD1 4.28Å
40N96Very high94.1Very high6 Ų645.6 Ų45.63%0.03229%0.29CS..  trans-57.7115.2-177.6-172.4-18000111.6R42 T43 V44 R119 D128 D129N40-R42 PolarHBondContact O-N 3.38Å; N40-R42 WeakPolarHBondContact OD1-CB 3.38Å; N40-R42 PolarHBondContact OD1-N 2.86Å; N40-T43 VanDerWaalsContact CB-OG1 3.29Å; N40-T43 WeakPolarHBondContact CB-OG1 3.32Å; N40-T43 WeakPolarHBondContact O-CA 3.36Å; N40-T43 WeakPolarHBondContact O-CB 3.35Å; N40-T43 PolarHBondContact O-N 2.79Å; N40-V44 WeakPolarHBondContact O-CG2 3.33Å; N40-V44 PolarHBondContact O-N 3.44Å; N40-R119 PolarHBondContact ND2-NE 2.84Å; N40-D128 HydrophobicContact CB-CB 3.92Å; N40-D128 PolarHBondContact N-OD2 3.1Å; N40-D129 PolarHBondContact ND2-OD1 3Å
41S95.6Very high94.1Very high57 Ų5745 Ų4540%0.39928%0.279SS..Hα-helixtrans-59.4-32.4179.855.30000112.6F39 V44 Q45F39-S41 PolarHBondContact O-N 2.81Å; S41-V44 PolarHBondContact O-N 2.91Å; S41-Q45 WeakPolarHBondContact O-CG 3.29Å; S41-Q45 PolarHBondContact O-N 3.2Å
42R94.3Very high94.1Very high139 Ų13944.6 Ų44.653%0.52528%0.276SS..Hα-helixtrans-67.4-37.5174.1-61.1-176178.9129.32.2111.8N40 V44 L46 Y132N40-R42 PolarHBondContact O-N 3.38Å; N40-R42 WeakPolarHBondContact OD1-CB 3.38Å; N40-R42 PolarHBondContact OD1-N 2.86Å; R42-V44 VanDerWaalsContact C-N 3.34Å; R42-L46 WeakPolarHBondContact O-CB 3.34Å; R42-L46 PolarHBondContact O-N 3.46Å; R42-Y132 HydrophobicContact CB-CD2 4.17Å; R42-Y132 HydrophobicContact CB-CE2 3.63Å
43T96Very high94.1Very high0 Ų048.2 Ų48.20%028%0.284CS..Hα-helixtrans-66.5-39.4174.4-49.30000111F39 N40 L46 M47 D128 I131 Y132F39-T43 HydrophobicContact CE1-CG2 3.67Å; F39-T43 HydrophobicContact CZ-CG2 4.24Å; N40-T43 VanDerWaalsContact CB-OG1 3.29Å; N40-T43 WeakPolarHBondContact CB-OG1 3.32Å; N40-T43 WeakPolarHBondContact O-CA 3.36Å; N40-T43 WeakPolarHBondContact O-CB 3.35Å; N40-T43 PolarHBondContact O-N 2.79Å; T43-L46 PolarHBondContact O-N 2.82Å; T43-M47 HydrophobicContact CG2-CE 3.88Å; T43-M47 HydrophobicContact CG2-SD 4.41Å; T43-M47 WeakPolarHBondContact O-CB 3.42Å; T43-M47 VanDerWaalsContact O-CG 3.25Å; T43-M47 WeakPolarHBondContact O-CG 3.49Å; T43-M47 PolarHBondContact O-N 3.2Å; T43-D128 WeakPolarHBondContact CG2-O 3.39Å; T43-D128 PolarHBondContact OG1-O 2.91Å; T43-I131 HydrophobicContact CG2-CB 3.99Å; T43-I131 HydrophobicContact CG2-CG2 3.9Å; T43-Y132 WeakPolarHBondContact OG1-CB 3.49Å
44V96.6Very high94.1Very high2 Ų252.5 Ų52.51%0.01231%0.307CS..Hα-helixtrans-63.2-49.9175.7-179.70000111.3H24 L27 Q28 F39 N40 S41 R42 L46 M47 I48H24-V44 HydrophobicContact CB-CG1 4.15Å; H24-V44 WeakPolarHBondContact O-CG1 3.49Å; L27-V44 HydrophobicContact CB-CG1 3.95Å; L27-V44 HydrophobicContact CD2-CG1 3.83Å; L27-V44 HydrophobicContact CG-CG1 3.95Å; Q28-V44 HydrophobicContact CB-CG2 3.95Å; Q28-V44 HydrophobicContact CG-CG2 4.19Å; F39-V44 HydrophobicContact CD1-CG2 3.64Å; F39-V44 HydrophobicContact CE1-CG2 4.25Å; N40-V44 WeakPolarHBondContact O-CG2 3.33Å; N40-V44 PolarHBondContact O-N 3.44Å; S41-V44 PolarHBondContact O-N 2.91Å; R42-V44 VanDerWaalsContact C-N 3.34Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.49Å; V44-M47 WeakPolarHBondContact O-CB 3.31Å; V44-M47 PolarHBondContact O-N 3.25Å; V44-M47 VanDerWaalsContact O-N 3.13Å; V44-I48 HydrophobicContact CG1-CD1 4.09Å; V44-I48 WeakPolarHBondContact O-CG1 3.22Å; V44-I48 PolarHBondContact O-N 2.89Å
45Q94.6Very high94.4Very high93 Ų9360.1 Ų60.144%0.43532%0.317SS..Hα-helixtrans-59.4-44.6178.2-74.4170.6-14.800111.6S41 M47 I48 S49S41-Q45 WeakPolarHBondContact O-CG 3.29Å; S41-Q45 PolarHBondContact O-N 3.2Å; Q45-M47 PolarHBondContact O-N 2.96Å; Q45-I48 PolarHBondContact O-N 3.04Å; Q45-S49 WeakPolarHBondContact O-CB 3.26Å; Q45-S49 PolarHBondContact O-N 2.98Å; Q45-S49 PolarHBondContact O-OG 3.47Å
46L93.3Very high94.6Very high8 Ų861.3 Ų61.34%0.04232%0.324CS..Hα-helixtrans-57.5-48.3173.6173.167.4000111.2R42 T43 V44 I48 S49 M50 Y132 V135 I139 I171R42-L46 WeakPolarHBondContact O-CB 3.34Å; R42-L46 PolarHBondContact O-N 3.46Å; T43-L46 PolarHBondContact O-N 2.82Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.49Å; L46-I48 PolarHBondContact O-N 3.38Å; L46-S49 PolarHBondContact O-N 3.45Å; L46-S49 PolarHBondContact O-OG 3.21Å; L46-M50 HydrophobicContact CD1-CG 4.49Å; L46-M50 HydrophobicContact CD1-SD 4.25Å; L46-M50 HydrophobicContact CG-SD 4.2Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.25Å; L46-M50 PolarHBondContact O-N 2.98Å; L46-M50 VanDerWaalsContact O-N 3.15Å; L46-Y132 HydrophobicContact CB-CD2 4.5Å; L46-Y132 HydrophobicContact CB-CE2 4.43Å; L46-Y132 HydrophobicContact CD2-CD2 3.67Å; L46-Y132 HydrophobicContact CD2-CE2 4.05Å; L46-V135 HydrophobicContact CD1-CG1 3.87Å; L46-V135 HydrophobicContact CD2-CB 3.75Å; L46-V135 HydrophobicContact CD2-CG1 3.63Å; L46-V135 HydrophobicContact CD2-CG2 4.28Å; L46-V135 HydrophobicContact CG-CG1 4.13Å; L46-I139 HydrophobicContact CD1-CD1 4.35Å; L46-I171 HydrophobicContact CD1-CD1 3.3Å
47M94.9Very high94.8Very high1 Ų159.4 Ų59.41%0.00530%0.304CS..Hα-helixtrans-58.8-47.3176.9-78.2176176.800112L31 F39 T43 V44 Q45 S49 M50 F51 L67 Y70 V71 I131L31-M47 HydrophobicContact CD1-SD 4.12Å; F39-M47 HydrophobicContact CE1-CE 4.39Å; F39-M47 HydrophobicContact CE1-SD 4.45Å; F39-M47 HydrophobicContact CZ-CE 4.18Å; T43-M47 HydrophobicContact CG2-CE 3.88Å; T43-M47 HydrophobicContact CG2-SD 4.41Å; T43-M47 WeakPolarHBondContact O-CB 3.42Å; T43-M47 VanDerWaalsContact O-CG 3.25Å; T43-M47 WeakPolarHBondContact O-CG 3.49Å; T43-M47 PolarHBondContact O-N 3.2Å; V44-M47 WeakPolarHBondContact O-CB 3.31Å; V44-M47 PolarHBondContact O-N 3.25Å; V44-M47 VanDerWaalsContact O-N 3.13Å; Q45-M47 PolarHBondContact O-N 2.96Å; M47-S49 PolarHBondContact O-N 3.31Å; M47-M50 PolarHBondContact O-N 3.46Å; M47-F51 WeakPolarHBondContact O-CD2 3.4Å; M47-F51 PolarHBondContact O-N 3Å; M47-L67 HydrophobicContact CB-CD1 3.81Å; M47-L67 HydrophobicContact CG-CD1 4.18Å; M47-L67 HydrophobicContact SD-CD1 4.33Å; M47-Y70 HydrophobicContact CE-CE1 4.35Å; M47-Y70 HydrophobicContact CG-CE1 4.27Å; M47-V71 HydrophobicContact CE-CG2 4.06Å; M47-V71 HydrophobicContact SD-CG2 4.11Å; M47-I131 HydrophobicContact CE-CD1 3.5Å; M47-I131 VanDerWaalsContact CE-CD1 3.5Å; M47-I131 HydrophobicContact CE-CG1 4.49Å; M47-I131 HydrophobicContact CE-CG2 3.89Å
48I95.2Very high95Very high11 Ų1158.4 Ų58.46%0.05630%0.298CS..Hα-helixtrans-58.9-50.8177.6-68.8174.7000109.8H24 L27 V44 Q45 L46 M50 F51 D52 I59H24-I48 HydrophobicContact CB-CD1 3.69Å; L27-I48 HydrophobicContact CD2-CD1 4.19Å; L27-I48 HydrophobicContact CD2-CG1 3.81Å; V44-I48 HydrophobicContact CG1-CD1 4.09Å; V44-I48 WeakPolarHBondContact O-CG1 3.22Å; V44-I48 PolarHBondContact O-N 2.89Å; Q45-I48 PolarHBondContact O-N 3.04Å; L46-I48 PolarHBondContact O-N 3.38Å; I48-M50 PolarHBondContact O-N 3.15Å; I48-F51 PolarHBondContact O-N 2.9Å; I48-D52 HydrophobicContact CG2-CB 3.99Å; I48-D52 WeakPolarHBondContact O-CB 3.42Å; I48-D52 PolarHBondContact O-N 2.96Å; I48-I59 HydrophobicContact CB-CG1 4.48Å; I48-I59 HydrophobicContact CG1-CG1 4Å; I48-I59 HydrophobicContact CG2-CD1 4.28Å; I48-I59 HydrophobicContact CG2-CG1 4.3Å
49S92.8Very high95.1Very high54 Ų5453.7 Ų53.738%0.37827%0.267SS..Hα-helixtrans-59-21.9-179.174.80000114.9Q45 L46 M47 I171Q45-S49 WeakPolarHBondContact O-CB 3.26Å; Q45-S49 PolarHBondContact O-N 2.98Å; Q45-S49 PolarHBondContact O-OG 3.47Å; L46-S49 PolarHBondContact O-N 3.45Å; L46-S49 PolarHBondContact O-OG 3.21Å; M47-S49 PolarHBondContact O-N 3.31Å; S49-I171 WeakPolarHBondContact OG-CD1 3.38Å
50M92.7Very high95.1Very high83 Ų8354.5 Ų54.541%0.40927%0.272SS..Hα-helixtrans-82.9-25.5178-71.8174.666.700113.3L46 M47 I48 Y70 V135L46-M50 HydrophobicContact CD1-CG 4.49Å; L46-M50 HydrophobicContact CD1-SD 4.25Å; L46-M50 HydrophobicContact CG-SD 4.2Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.25Å; L46-M50 PolarHBondContact O-N 2.98Å; L46-M50 VanDerWaalsContact O-N 3.15Å; M47-M50 PolarHBondContact O-N 3.46Å; I48-M50 PolarHBondContact O-N 3.15Å; M50-Y70 HydrophobicContact CE-CE1 4.49Å; M50-Y70 HydrophobicContact CE-CE2 3.93Å; M50-V135 HydrophobicContact SD-CG1 4.23Å
51F95.5Very high95.1Very high37 Ų3757 Ų5716%0.16229%0.285CS..Hα-helixtrans-119.6-21-171.1-68.8-76.8000114.3M47 I48 Q53 I59 E63 L67 Y70M47-F51 WeakPolarHBondContact O-CD2 3.4Å; M47-F51 PolarHBondContact O-N 3Å; I48-F51 PolarHBondContact O-N 2.9Å; F51-Q53 WeakPolarHBondContact O-CG 3.38Å; F51-Q53 PolarHBondContact O-N 3.33Å; F51-I59 HydrophobicContact CB-CD1 3.99Å; F51-E63 VanDerWaalsContact O-CG 3.32Å; F51-E63 WeakPolarHBondContact O-CG 3.22Å; F51-L67 HydrophobicContact CB-CB 4.39Å; F51-L67 HydrophobicContact CD2-CB 4.01Å; F51-L67 HydrophobicContact CD2-CD1 3.69Å; F51-L67 HydrophobicContact CD2-CG 4.44Å; F51-L67 HydrophobicContact CE2-CD1 3.98Å; F51-L67 HydrophobicContact CG-CB 4.07Å; F51-Y70 AromaticContact CE2-CD1 3.72Å; F51-Y70 HydrophobicContact CE2-CD1 3.72Å; F51-Y70 HydrophobicContact CE2-CD2 4.23Å; F51-Y70 HydrophobicContact CE2-CE1 4.25Å; F51-Y70 AromaticContact CE2-CG 3.69Å; F51-Y70 HydrophobicContact CE2-CG 3.69Å; F51-Y70 HydrophobicContact CZ-CD1 4.13Å; F51-Y70 AromaticContact CZ-CD2 3.87Å; F51-Y70 HydrophobicContact CZ-CD2 3.87Å; F51-Y70 AromaticContact CZ-CG 3.59Å; F51-Y70 HydrophobicContact CZ-CG 3.59Å
52D96.1Very high95.1Very high21 Ų2163.1 Ų63.111%0.11230%0.299CS..  trans-67.296171.5175.37.3000109.6I48 R55 N56 G57 I59I48-D52 HydrophobicContact CG2-CB 3.99Å; I48-D52 WeakPolarHBondContact O-CB 3.42Å; I48-D52 PolarHBondContact O-N 2.96Å; D52-R55 WeakPolarHBondContact OD1-CA 3.33Å; D52-R55 PolarHBondContact OD1-N 3.09Å; D52-R55 WeakPolarHBondContact OD2-CA 3.44Å; D52-N56 PolarHBondContact OD1-N 2.81Å; D52-N56 PolarHBondContact OD2-N 3.01Å; D52-G57 VanDerWaalsContact OD2-CA 3.29Å; D52-G57 WeakPolarHBondContact OD2-CA 3.37Å; D52-G57 PolarHBondContact OD2-N 3.47Å; D52-I59 HydrophobicContact CB-CD1 4.02Å
53Q94.1Very high95.2Very high159 Ų15957 Ų5774%0.74328%0.276SS*.SBendtrans-82.1-35.4-175.5-65-169.5-6.900111.8F51 R55 E63F51-Q53 WeakPolarHBondContact O-CG 3.38Å; F51-Q53 PolarHBondContact O-N 3.33Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-E63 PolarHBondContact N-OE1 2.75Å
54D94.9Very high95.2Very high93 Ų9357.3 Ų57.350%0.49728%0.278SS..SBendtrans-84.3-9-179.577.10.1000113N56D54-N56 VanDerWaalsContact C-N 3.31Å; D54-N56 VanDerWaalsContact CG-ND2 3.34Å; D54-N56 VanDerWaalsContact OD1-CB 3.28Å; D54-N56 WeakPolarHBondContact OD1-CB 3.39Å; D54-N56 PolarHBondContact OD1-N 3.44Å; D54-N56 VanDerWaalsContact OD1-N 3.07Å; D54-N56 PolarHBondContact OD1-ND2 3.32Å; D54-N56 PolarHBondContact OD1-OD1 2.82Å; D54-N56 PolarHBondContact OD2-ND2 3.35Å
55R93.5Very high95.1Very high221 Ų22159.7 Ų59.783%0.83429%0.292SS*.  trans63.533.3176.5-55.8-178178.4-172.3-1.8113D52 Q53 G57D52-R55 WeakPolarHBondContact OD1-CA 3.33Å; D52-R55 PolarHBondContact OD1-N 3.09Å; D52-R55 WeakPolarHBondContact OD2-CA 3.44Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; R55-G57 VanDerWaalsContact C-N 3.28Å
56N95Very high95.2Very high74 Ų7462.2 Ų62.240%0.39630%0.299SS..SBendtrans-83.2-6.6177.670.616.8000112.8D52 D54 T58D52-N56 PolarHBondContact OD1-N 2.81Å; D52-N56 PolarHBondContact OD2-N 3.01Å; D54-N56 VanDerWaalsContact C-N 3.31Å; D54-N56 VanDerWaalsContact CG-ND2 3.34Å; D54-N56 VanDerWaalsContact OD1-CB 3.28Å; D54-N56 WeakPolarHBondContact OD1-CB 3.39Å; D54-N56 PolarHBondContact OD1-N 3.44Å; D54-N56 VanDerWaalsContact OD1-N 3.07Å; D54-N56 PolarHBondContact OD1-ND2 3.32Å; D54-N56 PolarHBondContact OD1-OD1 2.82Å; D54-N56 PolarHBondContact OD2-ND2 3.35Å; N56-T58 PolarHBondContact ND2-OG1 3.5Å; N56-T58 WeakPolarHBondContact OD1-CA 3.42Å; N56-T58 PolarHBondContact OD1-N 3.37Å; N56-T58 PolarHBondContact OD1-O 3.34Å; N56-T58 PolarHBondContact OD1-OG1 3.49Å
57G94.3Very high95.3Very high38 Ų3861.9 Ų61.939%0.39230%0.297SS..SBendtrans85.15.418000000114.6D52 R55D52-G57 VanDerWaalsContact OD2-CA 3.29Å; D52-G57 WeakPolarHBondContact OD2-CA 3.37Å; D52-G57 PolarHBondContact OD2-N 3.47Å; R55-G57 VanDerWaalsContact C-N 3.28Å
58T97.2Very high95.3Very high30 Ų3063.9 Ų63.918%0.18431%0.306CS..SBendtrans-128.3177.5177.966.50000109.9N21 I22 D23 N56N21-T58 HydrophobicContact CB-CG2 4.42Å; N21-T58 VanDerWaalsContact CB-OG1 3.29Å; N21-T58 WeakPolarHBondContact CB-OG1 3.32Å; I22-T58 CarbonylContact O-C 3.57Å; I22-T58 WeakPolarHBondContact O-CA 3.42Å; I22-T58 WeakPolarHBondContact O-CB 3.35Å; D23-T58 HydrophobicContact CB-CG2 4.16Å; N56-T58 PolarHBondContact ND2-OG1 3.5Å; N56-T58 WeakPolarHBondContact OD1-CA 3.42Å; N56-T58 PolarHBondContact OD1-N 3.37Å; N56-T58 PolarHBondContact OD1-O 3.34Å; N56-T58 PolarHBondContact OD1-OG1 3.49Å
59I98Very high95.3Very high0 Ų069.4 Ų69.40%033%0.329CS..EExtended strand (participates in β ladder)trans-123.4117.2-178.3-66-66.6000109.6N21 I22 I48 F51 D52 E63 F64 L67N21-I59 CarbonylContact C-O 3.59Å; N21-I59 WeakPolarHBondContact CA-O 3.48Å; I22-I59 HydrophobicContact CB-CB 4.32Å; I22-I59 PolarHBondContact N-O 2.96Å; I22-I59 PolarHBondContact O-N 2.87Å; I48-I59 HydrophobicContact CB-CG1 4.48Å; I48-I59 HydrophobicContact CG1-CG1 4Å; I48-I59 HydrophobicContact CG2-CD1 4.28Å; I48-I59 HydrophobicContact CG2-CG1 4.3Å; F51-I59 HydrophobicContact CB-CD1 3.99Å; D52-I59 HydrophobicContact CB-CD1 4.02Å; I59-E63 WeakPolarHBondContact CA-OE2 3.49Å; I59-E63 HydrophobicContact CD1-CB 4.28Å; I59-E63 HydrophobicContact CG2-CB 3.89Å; I59-F64 HydrophobicContact CG2-CB 3.82Å; I59-F64 HydrophobicContact CG2-CD2 4.29Å; I59-L67 HydrophobicContact CG1-CD2 4.27Å; I59-L67 HydrophobicContact CG2-CD2 4.25Å
60D97.2Very high95.4Very high18 Ų1868.6 Ų68.610%0.09632%0.318CS..EExtended strand (participates in β ladder)trans-78.5171.8173.986.412.1000111.8R62 E63 F64D60-R62 VanDerWaalsContact C-N 3.25Å; D60-R62 PolarHBondContact O-N 3.5Å; D60-R62 VanDerWaalsContact OD1-CA 3.3Å; D60-R62 WeakPolarHBondContact OD1-CA 3.45Å; D60-R62 VanDerWaalsContact OD1-CB 3.23Å; D60-R62 WeakPolarHBondContact OD1-CB 3.18Å; D60-R62 PolarHBondContact OD1-N 3.36Å; D60-R62 IonicContact OD1-NE 3.82Å; D60-R62 IonicContact OD2-CZ 3.29Å; D60-R62 VanDerWaalsContact OD2-CZ 3.29Å; D60-R62 IonicContact OD2-NE 2.95Å; D60-R62 PolarHBondContact OD2-NE 3.12Å; D60-R62 IonicContact OD2-NH2 2.74Å; D60-R62 PolarHBondContact OD2-NH2 3.25Å; D60-E63 PolarHBondContact N-OE2 3.34Å; D60-E63 PolarHBondContact O-N 2.99Å; D60-E63 PolarHBondContact OD1-N 3.39Å; D60-F64 VanDerWaalsContact O-CB 3.31Å; D60-F64 WeakPolarHBondContact O-CB 3.38Å; D60-F64 PolarHBondContact O-N 2.94Å
61L95.9Very high95.6Very high57 Ų5765.1 Ų65.130%0.29830%0.302SS..Hα-helixtrans-59-34-179.9177.562.2000113.3R8 F11 V65R8-L61 HydrophobicContact CB-CD1 4.24Å; R8-L61 HydrophobicContact CG-CD1 4.32Å; R8-L61 HydrophobicContact CG-CD2 4.07Å; F11-L61 HydrophobicContact CB-CD1 3.65Å; F11-L61 HydrophobicContact CD1-CD1 4.15Å; F11-L61 HydrophobicContact CD2-CB 4.32Å; F11-L61 HydrophobicContact CD2-CD1 3.97Å; F11-L61 HydrophobicContact CE1-CB 4.47Å; F11-L61 HydrophobicContact CE2-CB 4.27Å; F11-L61 HydrophobicContact CG-CB 4.44Å; F11-L61 HydrophobicContact CG-CD1 3.64Å; F11-L61 HydrophobicContact CZ-CB 4.36Å; L61-V65 WeakPolarHBondContact O-CG2 3.47Å; L61-V65 PolarHBondContact O-N 2.88Å
62R95.2Very high95.6Very high186 Ų18667.1 Ų67.170%0.70231%0.312SS*.Hα-helixtrans-71.3-42.1-178.5-58.7173.7-69.9-178.9-1.1110.3D60 Y66D60-R62 VanDerWaalsContact C-N 3.25Å; D60-R62 PolarHBondContact O-N 3.5Å; D60-R62 VanDerWaalsContact OD1-CA 3.3Å; D60-R62 WeakPolarHBondContact OD1-CA 3.45Å; D60-R62 VanDerWaalsContact OD1-CB 3.23Å; D60-R62 WeakPolarHBondContact OD1-CB 3.18Å; D60-R62 PolarHBondContact OD1-N 3.36Å; D60-R62 IonicContact OD1-NE 3.82Å; D60-R62 IonicContact OD2-CZ 3.29Å; D60-R62 VanDerWaalsContact OD2-CZ 3.29Å; D60-R62 IonicContact OD2-NE 2.95Å; D60-R62 PolarHBondContact OD2-NE 3.12Å; D60-R62 IonicContact OD2-NH2 2.74Å; D60-R62 PolarHBondContact OD2-NH2 3.25Å; R62-Y66 VanDerWaalsContact O-CD2 3.28Å; R62-Y66 WeakPolarHBondContact O-CD2 3.5Å
63E96.2Very high95.6Very high10 Ų1069.3 Ų69.35%0.04732%0.323CS..Hα-helixtrans-68.7-39.2176.1-65.3168.8156.300111.1F51 Q53 I59 D60 V65 Y66 L67F51-E63 VanDerWaalsContact O-CG 3.32Å; F51-E63 WeakPolarHBondContact O-CG 3.22Å; Q53-E63 PolarHBondContact N-OE1 2.75Å; I59-E63 WeakPolarHBondContact CA-OE2 3.49Å; I59-E63 HydrophobicContact CD1-CB 4.28Å; I59-E63 HydrophobicContact CG2-CB 3.89Å; D60-E63 PolarHBondContact N-OE2 3.34Å; D60-E63 PolarHBondContact O-N 2.99Å; D60-E63 PolarHBondContact OD1-N 3.39Å; E63-V65 PolarHBondContact O-N 3.48Å; E63-Y66 PolarHBondContact O-N 3.31Å; E63-L67 PolarHBondContact O-N 3.47Å
64F96.3Very high95.7Very high8 Ų863.3 Ų63.34%0.03529%0.294CS..Hα-helixtrans-59.2-33.7178.5-172.8-106.3000113V7 I10 F11 V14 I22 I59 D60 Y66 L67 F68V7-F64 HydrophobicContact CG1-CD1 3.72Å; V7-F64 HydrophobicContact CG1-CE1 3.98Å; I10-F64 HydrophobicContact CB-CE1 4.36Å; I10-F64 HydrophobicContact CG2-CE1 4.07Å; I10-F64 HydrophobicContact CG2-CZ 3.92Å; F11-F64 HydrophobicContact CB-CD1 3.81Å; F11-F64 HydrophobicContact CB-CE1 3.99Å; F11-F64 HydrophobicContact CB-CG 4.48Å; F11-F64 HydrophobicContact CD2-CB 3.6Å; F11-F64 AromaticContact CD2-CD1 3.8Å; F11-F64 HydrophobicContact CD2-CD1 3.8Å; F11-F64 HydrophobicContact CD2-CD2 4.19Å; F11-F64 AromaticContact CD2-CG 3.61Å; F11-F64 HydrophobicContact CD2-CG 3.61Å; F11-F64 HydrophobicContact CE2-CB 4.06Å; F11-F64 HydrophobicContact CE2-CG 4.4Å; F11-F64 HydrophobicContact CG-CD1 4.32Å; V14-F64 HydrophobicContact CG2-CZ 4.41Å; I22-F64 HydrophobicContact CD1-CD2 3.45Å; I22-F64 VanDerWaalsContact CD1-CD2 3.45Å; I22-F64 HydrophobicContact CD1-CE2 3.61Å; I22-F64 HydrophobicContact CD1-CG 4.09Å; I22-F64 HydrophobicContact CD1-CZ 4.35Å; I59-F64 HydrophobicContact CG2-CB 3.82Å; I59-F64 HydrophobicContact CG2-CD2 4.29Å; D60-F64 VanDerWaalsContact O-CB 3.31Å; D60-F64 WeakPolarHBondContact O-CB 3.38Å; D60-F64 PolarHBondContact O-N 2.94Å; F64-Y66 VanDerWaalsContact C-N 3.26Å; F64-Y66 PolarHBondContact O-N 2.87Å; F64-L67 HydrophobicContact CD2-CD2 4.36Å; F64-L67 PolarHBondContact O-N 2.71Å; F64-F68 HydrophobicContact CD1-CB 4.35Å; F64-F68 HydrophobicContact CE1-CB 4.1Å; F64-F68 HydrophobicContact CE1-CD2 4.19Å; F64-F68 HydrophobicContact CE1-CG 4.35Å; F64-F68 HydrophobicContact CZ-CB 4.32Å; F64-F68 HydrophobicContact CZ-CD2 4.06Å; F64-F68 WeakPolarHBondContact O-CB 3.43Å; F64-F68 PolarHBondContact O-N 3.42Å
65V95Very high95.8Very high51 Ų5162 Ų6231%0.30929%0.285SS..Hα-helixtrans-57.7-42.2176172.80000111.3V7 L61 E63 K69V7-V65 HydrophobicContact CG1-CG2 3.88Å; L61-V65 WeakPolarHBondContact O-CG2 3.47Å; L61-V65 PolarHBondContact O-N 2.88Å; E63-V65 PolarHBondContact O-N 3.48Å; V65-K69 PolarHBondContact O-N 3.3Å
66Y95Very high95.9Very high147 Ų14758.6 Ų58.658%0.57627%0.272SS*.Hα-helixtrans-75.1-43.4179.1-62-77.7000111.8R62 E63 F64 F68 K69 Y70R62-Y66 VanDerWaalsContact O-CD2 3.28Å; R62-Y66 WeakPolarHBondContact O-CD2 3.5Å; E63-Y66 PolarHBondContact O-N 3.31Å; F64-Y66 VanDerWaalsContact C-N 3.26Å; F64-Y66 PolarHBondContact O-N 2.87Å; Y66-F68 VanDerWaalsContact C-N 3.34Å; Y66-F68 PolarHBondContact O-N 3.42Å; Y66-K69 PolarHBondContact O-N 3.05Å; Y66-Y70 WeakPolarHBondContact O-CB 3.35Å; Y66-Y70 PolarHBondContact O-N 3.29Å
67L96Very high95.9Very high1 Ų156.1 Ų56.11%0.00526%0.26CS..Hα-helixtrans-59.8-44.4175.9174.362.8000111.6L27 M47 F51 I59 E63 F64 K69 Y70 V71L27-L67 HydrophobicContact CD1-CD2 4.1Å; L27-L67 HydrophobicContact CD2-CD2 3.72Å; M47-L67 HydrophobicContact CB-CD1 3.81Å; M47-L67 HydrophobicContact CG-CD1 4.18Å; M47-L67 HydrophobicContact SD-CD1 4.33Å; F51-L67 HydrophobicContact CB-CB 4.39Å; F51-L67 HydrophobicContact CD2-CB 4.01Å; F51-L67 HydrophobicContact CD2-CD1 3.69Å; F51-L67 HydrophobicContact CD2-CG 4.44Å; F51-L67 HydrophobicContact CE2-CD1 3.98Å; F51-L67 HydrophobicContact CG-CB 4.07Å; I59-L67 HydrophobicContact CG1-CD2 4.27Å; I59-L67 HydrophobicContact CG2-CD2 4.25Å; E63-L67 PolarHBondContact O-N 3.47Å; F64-L67 HydrophobicContact CD2-CD2 4.36Å; F64-L67 PolarHBondContact O-N 2.71Å; L67-K69 PolarHBondContact O-N 3.26Å; L67-Y70 WeakPolarHBondContact O-CB 3.22Å; L67-Y70 PolarHBondContact O-N 2.95Å; L67-V71 HydrophobicContact CD1-CG2 4.23Å; L67-V71 WeakPolarHBondContact O-CG2 3.39Å; L67-V71 PolarHBondContact O-N 3.13Å
68F95.3Very high96.1Very high43 Ų4354.9 Ų54.919%0.18924%0.244CC..Hα-helixtrans-62.1-46.4180-177.1-103.2000111.1V7 I10 F64 Y66 Y70 V71 Q72V7-F68 HydrophobicContact CG1-CB 4.49Å; V7-F68 HydrophobicContact CG2-CD1 3.79Å; V7-F68 HydrophobicContact CG2-CE1 4.09Å; I10-F68 HydrophobicContact CD1-CE1 4.13Å; I10-F68 HydrophobicContact CD1-CE2 3.6Å; I10-F68 HydrophobicContact CD1-CZ 3.34Å; I10-F68 HydrophobicContact CG2-CD2 4.4Å; I10-F68 HydrophobicContact CG2-CE2 4.08Å; F64-F68 HydrophobicContact CD1-CB 4.35Å; F64-F68 HydrophobicContact CE1-CB 4.1Å; F64-F68 HydrophobicContact CE1-CD2 4.19Å; F64-F68 HydrophobicContact CE1-CG 4.35Å; F64-F68 HydrophobicContact CZ-CB 4.32Å; F64-F68 HydrophobicContact CZ-CD2 4.06Å; F64-F68 WeakPolarHBondContact O-CB 3.43Å; F64-F68 PolarHBondContact O-N 3.42Å; Y66-F68 VanDerWaalsContact C-N 3.34Å; Y66-F68 PolarHBondContact O-N 3.42Å; F68-Y70 VanDerWaalsContact C-N 3.32Å; F68-Y70 PolarHBondContact O-N 3.08Å; F68-V71 PolarHBondContact O-N 2.95Å; F68-Q72 HydrophobicContact CD1-CG 4.35Å; F68-Q72 HydrophobicContact CE1-CG 4.02Å; F68-Q72 HydrophobicContact CZ-CG 4.16Å; F68-Q72 WeakPolarHBondContact O-CG 3.5Å; F68-Q72 PolarHBondContact O-N 2.93Å
69K94.9Very high96Very high126 Ų12660.7 Ų60.755%0.54826%0.263SS..Hα-helixtrans-59.3-44.1173.9-179.5172.4-179.4170.20111.7V65 Y66 L67 V71 Q72 D73V65-K69 PolarHBondContact O-N 3.3Å; Y66-K69 PolarHBondContact O-N 3.05Å; L67-K69 PolarHBondContact O-N 3.26Å; K69-V71 PolarHBondContact O-N 2.92Å; K69-Q72 PolarHBondContact O-N 3.14Å; K69-D73 PolarHBondContact O-N 3.48Å
70Y95.9Very high96Very high38 Ų3866.7 Ų66.715%0.14929%0.29CS..Hα-helixtrans-58.7-46.3177.6178.4-101.7000112.1M47 M50 F51 Y66 L67 F68 Q72 D73 W74 V135M47-Y70 HydrophobicContact CE-CE1 4.35Å; M47-Y70 HydrophobicContact CG-CE1 4.27Å; M50-Y70 HydrophobicContact CE-CE1 4.49Å; M50-Y70 HydrophobicContact CE-CE2 3.93Å; F51-Y70 AromaticContact CE2-CD1 3.72Å; F51-Y70 HydrophobicContact CE2-CD1 3.72Å; F51-Y70 HydrophobicContact CE2-CD2 4.23Å; F51-Y70 HydrophobicContact CE2-CE1 4.25Å; F51-Y70 AromaticContact CE2-CG 3.69Å; F51-Y70 HydrophobicContact CE2-CG 3.69Å; F51-Y70 HydrophobicContact CZ-CD1 4.13Å; F51-Y70 AromaticContact CZ-CD2 3.87Å; F51-Y70 HydrophobicContact CZ-CD2 3.87Å; F51-Y70 AromaticContact CZ-CG 3.59Å; F51-Y70 HydrophobicContact CZ-CG 3.59Å; Y66-Y70 WeakPolarHBondContact O-CB 3.35Å; Y66-Y70 PolarHBondContact O-N 3.29Å; L67-Y70 WeakPolarHBondContact O-CB 3.22Å; L67-Y70 PolarHBondContact O-N 2.95Å; F68-Y70 VanDerWaalsContact C-N 3.32Å; F68-Y70 PolarHBondContact O-N 3.08Å; Y70-Q72 PolarHBondContact O-N 3.34Å; Y70-D73 PolarHBondContact O-N 2.99Å; Y70-W74 AromaticContact CD1-CD1 3.74Å; Y70-W74 AromaticContact CD2-CD1 3.97Å; Y70-W74 AromaticContact CD2-NE1 3.87Å; Y70-W74 AromaticContact CE1-CD1 3.45Å; Y70-W74 VanDerWaalsContact CE1-CD1 3.45Å; Y70-W74 AromaticContact CE1-NE1 3.43Å; Y70-W74 AromaticContact CE2-CD1 3.69Å; Y70-W74 AromaticContact CE2-NE1 3.14Å; Y70-W74 AromaticContact CZ-CD1 3.43Å; Y70-W74 VanDerWaalsContact CZ-CD1 3.43Å; Y70-W74 AromaticContact CZ-NE1 2.9Å; Y70-W74 VanDerWaalsContact O-CD1 3.26Å; Y70-W74 PolarHBondContact O-N 2.9Å; Y70-W74 PolarHBondContact OH-NE1 3.39Å; Y70-V135 VanDerWaalsContact OH-CG2 3.22Å; Y70-V135 WeakPolarHBondContact OH-CG2 3.33Å
71V95.8Very high95.9Very high10 Ų1066.6 Ų66.66%0.06129%0.289CS..Hα-helixtrans-62-43.2175.5173.10000111L31 M47 L67 F68 K69 D73 W74 Q75 F127L31-V71 HydrophobicContact CD2-CG1 3.98Å; L31-V71 HydrophobicContact CD2-CG2 4.4Å; M47-V71 HydrophobicContact CE-CG2 4.06Å; M47-V71 HydrophobicContact SD-CG2 4.11Å; L67-V71 HydrophobicContact CD1-CG2 4.23Å; L67-V71 WeakPolarHBondContact O-CG2 3.39Å; L67-V71 PolarHBondContact O-N 3.13Å; F68-V71 PolarHBondContact O-N 2.95Å; K69-V71 PolarHBondContact O-N 2.92Å; V71-D73 PolarHBondContact O-N 3.12Å; V71-W74 PolarHBondContact O-N 3.38Å; V71-Q75 HydrophobicContact CG1-CG 4.4Å; V71-Q75 WeakPolarHBondContact O-CB 3.41Å; V71-Q75 VanDerWaalsContact O-CG 3.31Å; V71-Q75 WeakPolarHBondContact O-CG 3.43Å; V71-Q75 PolarHBondContact O-N 2.79Å; V71-F127 HydrophobicContact CG1-CE1 4.47Å; V71-F127 HydrophobicContact CG1-CZ 4.48Å
72Q95.3Very high96Very high79 Ų7964.7 Ų64.737%0.36928%0.279SS..Hα-helixtrans-62.6-41177.8-73.9-173.6-41.100113F68 K69 Y70 Q75 R76F68-Q72 HydrophobicContact CD1-CG 4.35Å; F68-Q72 HydrophobicContact CE1-CG 4.02Å; F68-Q72 HydrophobicContact CZ-CG 4.16Å; F68-Q72 WeakPolarHBondContact O-CG 3.5Å; F68-Q72 PolarHBondContact O-N 2.93Å; K69-Q72 PolarHBondContact O-N 3.14Å; Y70-Q72 PolarHBondContact O-N 3.34Å; Q72-Q75 PolarHBondContact O-N 3.31Å; Q72-R76 PolarHBondContact O-N 2.89Å
73D96.2Very high95.9Very high66 Ų6663 Ų6335%0.35328%0.279SS..Hα-helixtrans-67-41.4177.9-74-26.9000110.8K69 Y70 V71 Q75 R76 C77K69-D73 PolarHBondContact O-N 3.48Å; Y70-D73 PolarHBondContact O-N 2.99Å; V71-D73 PolarHBondContact O-N 3.12Å; D73-Q75 PolarHBondContact O-N 3.49Å; D73-R76 PolarHBondContact O-N 3.46Å; D73-R76 IonicContact OD1-CZ 3.82Å; D73-R76 IonicContact OD1-NH1 2.82Å; D73-R76 PolarHBondContact OD1-NH1 2.86Å; D73-C77 WeakPolarHBondContact O-CB 3.2Å; D73-C77 PolarHBondContact O-N 3.38Å
74W97Very high95.8Very high33 Ų3367.2 Ų67.213%0.12530%0.302CS..Hα-helixtrans-62.6-41171.8-85.3113.5000112.9Y70 V71 R76 C77 F78 F101 F127 F130 I131 C134 V135Y70-W74 AromaticContact CD1-CD1 3.74Å; Y70-W74 AromaticContact CD2-CD1 3.97Å; Y70-W74 AromaticContact CD2-NE1 3.87Å; Y70-W74 AromaticContact CE1-CD1 3.45Å; Y70-W74 VanDerWaalsContact CE1-CD1 3.45Å; Y70-W74 AromaticContact CE1-NE1 3.43Å; Y70-W74 AromaticContact CE2-CD1 3.69Å; Y70-W74 AromaticContact CE2-NE1 3.14Å; Y70-W74 AromaticContact CZ-CD1 3.43Å; Y70-W74 VanDerWaalsContact CZ-CD1 3.43Å; Y70-W74 AromaticContact CZ-NE1 2.9Å; Y70-W74 VanDerWaalsContact O-CD1 3.26Å; Y70-W74 PolarHBondContact O-N 2.9Å; Y70-W74 PolarHBondContact OH-NE1 3.39Å; V71-W74 PolarHBondContact O-N 3.38Å; W74-R76 VanDerWaalsContact C-N 3.33Å; W74-R76 PolarHBondContact O-N 3.16Å; W74-C77 HydrophobicContact CE3-CB 4.47Å; W74-C77 WeakPolarHBondContact O-CB 3.39Å; W74-C77 PolarHBondContact O-N 2.89Å; W74-F78 WeakPolarHBondContact O-CB 3.4Å; W74-F78 PolarHBondContact O-N 3.45Å; W74-F101 HydrophobicContact CH2-CE2 4.47Å; W74-F101 HydrophobicContact CZ3-CE2 4.35Å; W74-F101 HydrophobicContact CZ3-CZ 4.26Å; W74-F127 HydrophobicContact CB-CE2 3.84Å; W74-F127 HydrophobicContact CB-CZ 3.98Å; W74-F130 HydrophobicContact CE3-CD1 4.07Å; W74-F130 AromaticContact CE3-CE1 3.61Å; W74-F130 HydrophobicContact CE3-CE1 3.61Å; W74-F130 HydrophobicContact CZ3-CD1 4.13Å; W74-F130 AromaticContact CZ3-CE1 3.47Å; W74-F130 HydrophobicContact CZ3-CE1 3.47Å; W74-F130 VanDerWaalsContact CZ3-CE1 3.47Å; W74-F130 HydrophobicContact CZ3-CZ 4.04Å; W74-I131 HydrophobicContact CB-CD1 4.1Å; W74-I131 HydrophobicContact CB-CG1 3.98Å; W74-I131 HydrophobicContact CD2-CG1 3.94Å; W74-I131 HydrophobicContact CD2-CG2 4.47Å; W74-I131 HydrophobicContact CE3-CG1 4.19Å; W74-I131 HydrophobicContact CG-CD1 4.33Å; W74-I131 HydrophobicContact CG-CG1 3.85Å; W74-C134 HydrophobicContact CH2-CB 3.4Å; W74-C134 VanDerWaalsContact CH2-CB 3.4Å; W74-C134 HydrophobicContact CZ2-CB 4.26Å; W74-C134 HydrophobicContact CZ3-CB 3.92Å; W74-V135 HydrophobicContact CZ2-CG2 4.23Å
75Q96Very high95.7Very high67 Ų6777.4 Ų77.431%0.31334%0.34SS..Hα-helixtrans-62.9-40.5175.8-77-179.5-1400111.8V71 Q72 D73 C77 R79 F127V71-Q75 HydrophobicContact CG1-CG 4.4Å; V71-Q75 WeakPolarHBondContact O-CB 3.41Å; V71-Q75 VanDerWaalsContact O-CG 3.31Å; V71-Q75 WeakPolarHBondContact O-CG 3.43Å; V71-Q75 PolarHBondContact O-N 2.79Å; Q72-Q75 PolarHBondContact O-N 3.31Å; D73-Q75 PolarHBondContact O-N 3.49Å; Q75-C77 VanDerWaalsContact C-N 3.33Å; Q75-R79 WeakPolarHBondContact O-CB 3.37Å; Q75-R79 WeakPolarHBondContact O-CG 3.29Å; Q75-R79 PolarHBondContact O-N 3.43Å; Q75-R79 VanDerWaalsContact O-N 3.08Å; Q75-F127 HydrophobicContact CB-CE2 4.44Å; Q75-F127 HydrophobicContact CB-CZ 4.25Å; Q75-F127 HydrophobicContact CG-CE1 3.72Å; Q75-F127 HydrophobicContact CG-CE2 3.95Å; Q75-F127 HydrophobicContact CG-CZ 3.37Å
76R95.9Very high95.7Very high149 Ų14977.4 Ų77.456%0.56234%0.343SS*.Hα-helixtrans-63.1-44.2175.1-170.9-173.9-63.3118.83.1110.4Q72 D73 W74 Q80Q72-R76 PolarHBondContact O-N 2.89Å; D73-R76 PolarHBondContact O-N 3.46Å; D73-R76 IonicContact OD1-CZ 3.82Å; D73-R76 IonicContact OD1-NH1 2.82Å; D73-R76 PolarHBondContact OD1-NH1 2.86Å; W74-R76 VanDerWaalsContact C-N 3.33Å; W74-R76 PolarHBondContact O-N 3.16Å; R76-Q80 PolarHBondContact O-N 3.31Å; R76-Q80 VanDerWaalsContact O-N 3.14Å
77C96.1Very high95.7Very high22 Ų2271.4 Ų71.415%0.14933%0.325CS..Hα-helixtrans-62.7-46.8177.3-171.20000112D73 W74 Q75 R79 Q80 Y81 F101D73-C77 WeakPolarHBondContact O-CB 3.2Å; D73-C77 PolarHBondContact O-N 3.38Å; W74-C77 HydrophobicContact CE3-CB 4.47Å; W74-C77 WeakPolarHBondContact O-CB 3.39Å; W74-C77 PolarHBondContact O-N 2.89Å; Q75-C77 VanDerWaalsContact C-N 3.33Å; C77-R79 PolarHBondContact O-N 2.9Å; C77-Q80 WeakPolarHBondContact O-CB 3.36Å; C77-Q80 PolarHBondContact O-N 3.46Å; C77-Q80 VanDerWaalsContact O-N 3.13Å; C77-Y81 WeakPolarHBondContact O-CD2 3.29Å; C77-Y81 PolarHBondContact O-N 3.36Å; C77-F101 WeakPolarHBondContact SG-CZ 3.29Å
78F96.6Very high95.7Very high12 Ų1272.1 Ų72.15%0.05333%0.329CS..Hα-helixtrans-58.3-50.2178.8-174.9-87.5000111W74 Q80 Y81 D82 G87 I89 F127 F130W74-F78 WeakPolarHBondContact O-CB 3.4Å; W74-F78 PolarHBondContact O-N 3.45Å; F78-Q80 PolarHBondContact O-N 2.94Å; F78-Q80 VanDerWaalsContact O-N 3.17Å; F78-Y81 PolarHBondContact O-N 3.4Å; F78-D82 HydrophobicContact CD1-CB 4.27Å; F78-D82 HydrophobicContact CE1-CB 4.03Å; F78-D82 PolarHBondContact O-N 3.12Å; F78-G87 WeakPolarHBondContact CZ-O 3.4Å; F78-I89 HydrophobicContact CD2-CG1 3.77Å; F78-I89 HydrophobicContact CE1-CG1 4.41Å; F78-I89 HydrophobicContact CE2-CB 4.23Å; F78-I89 HydrophobicContact CE2-CD1 4.36Å; F78-I89 HydrophobicContact CE2-CG1 3.29Å; F78-I89 HydrophobicContact CZ-CG1 3.67Å; F78-F127 HydrophobicContact CB-CD2 3.73Å; F78-F127 HydrophobicContact CB-CE2 4.12Å; F78-F127 HydrophobicContact CD1-CD2 4.48Å; F78-F127 HydrophobicContact CD2-CB 4.19Å; F78-F127 AromaticContact CD2-CD2 3.84Å; F78-F127 HydrophobicContact CD2-CD2 3.84Å; F78-F127 VanDerWaalsContact CE2-CA 3.43Å; F78-F127 HydrophobicContact CE2-CB 4.12Å; F78-F127 HydrophobicContact CG-CB 4.41Å; F78-F127 AromaticContact CG-CD2 3.76Å; F78-F127 HydrophobicContact CG-CD2 3.76Å; F78-F127 HydrophobicContact CZ-CB 4.29Å; F78-F130 HydrophobicContact CB-CD1 4.43Å; F78-F130 HydrophobicContact CD2-CB 3.89Å; F78-F130 AromaticContact CD2-CD1 3.7Å; F78-F130 HydrophobicContact CD2-CD1 3.7Å; F78-F130 HydrophobicContact CD2-CE1 4.39Å; F78-F130 AromaticContact CD2-CG 3.86Å; F78-F130 HydrophobicContact CD2-CG 3.86Å; F78-F130 HydrophobicContact CE2-CB 3.94Å; F78-F130 HydrophobicContact CE2-CG 4.31Å
79R96.1Very high95.8Very high152 Ų15270 Ų7057%0.57432%0.32SS*.Hα-helixtrans-62-23.4177.3-73.3-172.1-63.8-99.7-2.5114.4Q75 C77 Y81Q75-R79 WeakPolarHBondContact O-CB 3.37Å; Q75-R79 WeakPolarHBondContact O-CG 3.29Å; Q75-R79 PolarHBondContact O-N 3.43Å; Q75-R79 VanDerWaalsContact O-N 3.08Å; C77-R79 PolarHBondContact O-N 2.9Å; R79-Y81 VanDerWaalsContact C-N 3.32Å
80Q96.9Very high95.9Very high125 Ų12566.2 Ų66.258%0.58431%0.305SS*.Hα-helixtrans-72-31.2175.9-179.7-179-21.900111.6R76 C77 F78R76-Q80 PolarHBondContact O-N 3.31Å; R76-Q80 VanDerWaalsContact O-N 3.14Å; C77-Q80 WeakPolarHBondContact O-CB 3.36Å; C77-Q80 PolarHBondContact O-N 3.46Å; C77-Q80 VanDerWaalsContact O-N 3.13Å; F78-Q80 PolarHBondContact O-N 2.94Å; F78-Q80 VanDerWaalsContact O-N 3.17Å
81Y96.7Very high95.9Very high17 Ų1765.8 Ų65.87%0.06731%0.31CS..Hα-helixtrans-101.8-22.6-176.7-65.7-69.4000114.2C77 F78 R79 Q83 I89 E93 A97 C100 F101C77-Y81 WeakPolarHBondContact O-CD2 3.29Å; C77-Y81 PolarHBondContact O-N 3.36Å; F78-Y81 PolarHBondContact O-N 3.4Å; R79-Y81 VanDerWaalsContact C-N 3.32Å; Y81-Q83 PolarHBondContact O-N 2.84Å; Y81-I89 VanDerWaalsContact C-CD1 3.45Å; Y81-E93 VanDerWaalsContact O-CB 3.3Å; Y81-E93 WeakPolarHBondContact O-CB 3.31Å; Y81-E93 VanDerWaalsContact O-CD 3.27Å; Y81-E93 WeakPolarHBondContact O-CG 3.45Å; Y81-A97 HydrophobicContact CD1-CB 3.92Å; Y81-A97 HydrophobicContact CD2-CB 3.57Å; Y81-A97 HydrophobicContact CE1-CB 4.18Å; Y81-A97 HydrophobicContact CE2-CB 3.85Å; Y81-A97 HydrophobicContact CG-CB 3.63Å; Y81-C100 HydrophobicContact CE1-CB 4.36Å; Y81-C100 WeakPolarHBondContact OH-CB 3.31Å; Y81-C100 PolarHBondContact OH-SG 2.74Å; Y81-F101 HydrophobicContact CE2-CE1 4.31Å; Y81-F101 HydrophobicContact CE2-CZ 4.45Å
82D96.6Very high96Very high16 Ų1674.8 Ų74.89%0.08634%0.343CS..  trans-72.580.6167.6175.313.9000108.6F78 D84 R85 S86 G87 I89F78-D82 HydrophobicContact CD1-CB 4.27Å; F78-D82 HydrophobicContact CE1-CB 4.03Å; F78-D82 PolarHBondContact O-N 3.12Å; D82-D84 VanDerWaalsContact OD1-OD1 3.11Å; D82-R85 PolarHBondContact O-N 2.92Å; D82-R85 WeakPolarHBondContact OD1-CA 3.45Å; D82-R85 PolarHBondContact OD1-N 3.45Å; D82-S86 PolarHBondContact OD1-N 2.99Å; D82-S86 PolarHBondContact OD1-OG 3.24Å; D82-G87 VanDerWaalsContact OD2-CA 3.27Å; D82-G87 WeakPolarHBondContact OD2-CA 3.35Å; D82-G87 PolarHBondContact OD2-N 3.38Å; D82-I89 HydrophobicContact CB-CD1 3.93Å; D82-I89 VanDerWaalsContact N-CD1 3.3Å
83Q93.9Very high96.1Very high151 Ų15171.5 Ų71.571%0.70633%0.328SS*.SBendtrans-75.9-34.4-170.1-68.4-168-13.700111.5Y81 R85 E93Y81-Q83 PolarHBondContact O-N 2.84Å; Q83-R85 VanDerWaalsContact C-N 3.28Å; Q83-E93 PolarHBondContact N-OE1 3.23Å
84D95Very high96.2Very high99 Ų9968.4 Ų68.453%0.52931%0.311SS..SBendtrans-83.7-6.2177.873.1-2.9000113.1D82 S86D82-D84 VanDerWaalsContact OD1-OD1 3.11Å; D84-S86 PolarHBondContact O-N 3.17Å; D84-S86 WeakPolarHBondContact OD1-CB 3.18Å; D84-S86 PolarHBondContact OD1-N 3.17Å; D84-S86 PolarHBondContact OD1-OG 2.78Å
85R93.8Very high96.2Very high221 Ų22170 Ų7083%0.83432%0.32SS*.  trans59.132.9-177.8-53.9-178.6-179.7-175.20.5112.1D82 Q83 G87D82-R85 PolarHBondContact O-N 2.92Å; D82-R85 WeakPolarHBondContact OD1-CA 3.45Å; D82-R85 PolarHBondContact OD1-N 3.45Å; Q83-R85 VanDerWaalsContact C-N 3.28Å; R85-G87 PolarHBondContact O-N 2.99Å
86S94.1Very high96.3Very high52 Ų5269.5 Ų69.536%0.36432%0.324SS..  trans-69.3-16175.359.90000112.4D82 D84 L88D82-S86 PolarHBondContact OD1-N 2.99Å; D82-S86 PolarHBondContact OD1-OG 3.24Å; D84-S86 PolarHBondContact O-N 3.17Å; D84-S86 WeakPolarHBondContact OD1-CB 3.18Å; D84-S86 PolarHBondContact OD1-N 3.17Å; D84-S86 PolarHBondContact OD1-OG 2.78Å; S86-L88 PolarHBondContact OG-N 2.84Å; S86-L88 PolarHBondContact OG-O 3.3Å; S86-L88 VanDerWaalsContact OG-O 3.08Å
87G94.5Very high96.3Very high21 Ų2162.4 Ų62.422%0.21630%0.297CS..SBendtrans78.47.2-17000000112.6F78 D82 R85F78-G87 WeakPolarHBondContact CZ-O 3.4Å; D82-G87 VanDerWaalsContact OD2-CA 3.27Å; D82-G87 WeakPolarHBondContact OD2-CA 3.35Å; D82-G87 PolarHBondContact OD2-N 3.38Å; R85-G87 PolarHBondContact O-N 2.99Å
88L96.7Very high96.4Very high15 Ų1561.5 Ų61.58%0.07929%0.29CS..SBendtrans-131.6157.2-178.7-67.2174000109.1I35 S86 Q122 Q124 A126I35-L88 HydrophobicContact CG2-CD2 3.67Å; I35-L88 HydrophobicContact CG2-CG 4.13Å; S86-L88 PolarHBondContact OG-N 2.84Å; S86-L88 PolarHBondContact OG-O 3.3Å; S86-L88 VanDerWaalsContact OG-O 3.08Å; L88-Q122 VanDerWaalsContact CD1-OE1 3.29Å; L88-Q124 HydrophobicContact CB-CB 3.8Å; L88-Q124 HydrophobicContact CD1-CB 4.24Å; L88-Q124 HydrophobicContact CG-CB 4.49Å; L88-A126 HydrophobicContact CD2-CB 3.93Å
89I97.4Very high96.4Very high0 Ų064.1 Ų64.10%031%0.31CS..BIsolated β-bridgetrans-112120176.1-72.1-72.9000109.3F78 Y81 D82 E93 F94 Q124 I125F78-I89 HydrophobicContact CD2-CG1 3.77Å; F78-I89 HydrophobicContact CE1-CG1 4.41Å; F78-I89 HydrophobicContact CE2-CB 4.23Å; F78-I89 HydrophobicContact CE2-CD1 4.36Å; F78-I89 HydrophobicContact CE2-CG1 3.29Å; F78-I89 HydrophobicContact CZ-CG1 3.67Å; Y81-I89 VanDerWaalsContact C-CD1 3.45Å; D82-I89 HydrophobicContact CB-CD1 3.93Å; D82-I89 VanDerWaalsContact N-CD1 3.3Å; I89-E93 WeakPolarHBondContact CA-OE2 3.49Å; I89-E93 HydrophobicContact CD1-CB 3.98Å; I89-E93 HydrophobicContact CG2-CB 4.01Å; I89-F94 HydrophobicContact CG2-CB 3.65Å; I89-F94 HydrophobicContact CG2-CD2 4.27Å; I89-F94 HydrophobicContact CG2-CG 4.32Å; I89-Q124 CarbonylContact O-C 3.55Å; I89-Q124 VanDerWaalsContact O-CA 3.29Å; I89-Q124 WeakPolarHBondContact O-CA 3.36Å; I89-Q124 WeakPolarHBondContact O-CB 3.33Å; I89-I125 HydrophobicContact CB-CG1 3.94Å; I89-I125 HydrophobicContact CG2-CD1 4.49Å; I89-I125 HydrophobicContact CG2-CG1 4.16Å; I89-I125 PolarHBondContact N-O 2.95Å; I89-I125 PolarHBondContact O-N 3.43Å
90D96.9Very high96.3Very high45 Ų4561 Ų6124%0.24131%0.311CS..  trans-83.8-179.6175.487.88.4000113.4R92 E93 F94 Q124D90-R92 VanDerWaalsContact C-N 3.35Å; D90-R92 PolarHBondContact O-N 3.47Å; D90-R92 WeakPolarHBondContact OD1-CA 3.41Å; D90-R92 WeakPolarHBondContact OD1-CB 3.34Å; D90-R92 PolarHBondContact OD1-N 3.4Å; D90-E93 PolarHBondContact N-OE2 2.93Å; D90-E93 WeakPolarHBondContact OD1-CG 3.2Å; D90-E93 PolarHBondContact OD1-N 2.99Å; D90-F94 WeakPolarHBondContact O-CB 3.24Å; D90-F94 PolarHBondContact O-N 3.07Å; D90-Q124 HydrophobicContact CB-CG 3.99Å
91A97Very high96.3Very high30 Ų3058.7 Ų58.725%0.24830%0.299CS..Hα-helixtrans-63.2-34.1179.500000114.8Q95 I110 K111 I114A91-Q95 VanDerWaalsContact O-CB 3.26Å; A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 PolarHBondContact O-N 2.77Å; A91-I110 WeakPolarHBondContact O-CG2 3.47Å; A91-K111 HydrophobicContact CB-CG 4.41Å; A91-I114 HydrophobicContact CB-CD1 3.78Å
92R97.2Very high96.2Very high198 Ų19860.6 Ų60.675%0.74732%0.323SS*.Hα-helixtrans-77-41.8179.7-64.4-179.9177.9-165.61.2110.7D90 Q95 S96D90-R92 VanDerWaalsContact C-N 3.35Å; D90-R92 PolarHBondContact O-N 3.47Å; D90-R92 WeakPolarHBondContact OD1-CA 3.41Å; D90-R92 WeakPolarHBondContact OD1-CB 3.34Å; D90-R92 PolarHBondContact OD1-N 3.4Å; R92-Q95 PolarHBondContact O-N 2.96Å; R92-S96 WeakPolarHBondContact O-CB 2.95Å; R92-S96 PolarHBondContact O-N 3.32Å; R92-S96 PolarHBondContact O-OG 2.63Å
93E97.7Very high96.2Very high11 Ų1161.5 Ų61.55%0.05133%0.326CS..Hα-helixtrans-65-44.6176.3-66.6174.514300110.4Y81 Q83 I89 D90 Q95 S96 A97Y81-E93 VanDerWaalsContact O-CB 3.3Å; Y81-E93 WeakPolarHBondContact O-CB 3.31Å; Y81-E93 VanDerWaalsContact O-CD 3.27Å; Y81-E93 WeakPolarHBondContact O-CG 3.45Å; Q83-E93 PolarHBondContact N-OE1 3.23Å; I89-E93 WeakPolarHBondContact CA-OE2 3.49Å; I89-E93 HydrophobicContact CD1-CB 3.98Å; I89-E93 HydrophobicContact CG2-CB 4.01Å; D90-E93 PolarHBondContact N-OE2 2.93Å; D90-E93 WeakPolarHBondContact OD1-CG 3.2Å; D90-E93 PolarHBondContact OD1-N 2.99Å; E93-Q95 PolarHBondContact O-N 2.74Å; E93-S96 WeakPolarHBondContact O-CB 3.44Å; E93-S96 PolarHBondContact O-N 3.1Å; E93-S96 VanDerWaalsContact O-N 3.15Å; E93-A97 PolarHBondContact O-N 2.86Å
94F97.8Very high96.3Very high0 Ų066.2 Ų66.20%034%0.337CS..Hα-helixtrans-64.2-41.8176.2-164.9-140.5000112.1I89 D90 S96 A97 L98 I110 M113 I114 I125 F130 A133I89-F94 HydrophobicContact CG2-CB 3.65Å; I89-F94 HydrophobicContact CG2-CD2 4.27Å; I89-F94 HydrophobicContact CG2-CG 4.32Å; D90-F94 WeakPolarHBondContact O-CB 3.24Å; D90-F94 PolarHBondContact O-N 3.07Å; F94-S96 VanDerWaalsContact C-N 3.27Å; F94-S96 PolarHBondContact O-N 2.8Å; F94-A97 PolarHBondContact O-N 3.16Å; F94-L98 HydrophobicContact CD1-CD1 4.3Å; F94-L98 HydrophobicContact CD2-CG 4.15Å; F94-L98 HydrophobicContact CE1-CD1 3.81Å; F94-L98 HydrophobicContact CE1-CG 4.45Å; F94-L98 HydrophobicContact CE2-CD1 4.05Å; F94-L98 HydrophobicContact CE2-CD2 3.85Å; F94-L98 HydrophobicContact CE2-CG 3.86Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CG 4.02Å; F94-L98 WeakPolarHBondContact O-CG 3.2Å; F94-L98 PolarHBondContact O-N 3.37Å; F94-I110 HydrophobicContact CB-CG2 4.36Å; F94-I110 HydrophobicContact CD1-CG2 3.96Å; F94-M113 HydrophobicContact CE1-CB 3.84Å; F94-M113 HydrophobicContact CE1-CE 4.03Å; F94-M113 HydrophobicContact CE1-SD 4.12Å; F94-M113 HydrophobicContact CZ-CE 3.94Å; F94-I114 HydrophobicContact CB-CD1 4.09Å; F94-I114 HydrophobicContact CD1-CD1 4.2Å; F94-I114 HydrophobicContact CD1-CG1 3.8Å; F94-I114 HydrophobicContact CE1-CG1 4.47Å; F94-I114 HydrophobicContact CG-CG1 4.47Å; F94-I125 HydrophobicContact CD2-CD1 4.11Å; F94-I125 HydrophobicContact CE2-CD1 4.13Å; F94-I125 HydrophobicContact CG-CD1 4.33Å; F94-I125 HydrophobicContact CZ-CD1 4.34Å; F94-F130 AromaticContact CD2-CD2 3.86Å; F94-F130 HydrophobicContact CD2-CD2 3.86Å; F94-F130 AromaticContact CD2-CE2 3.8Å; F94-F130 HydrophobicContact CD2-CE2 3.8Å; F94-F130 AromaticContact CE2-CD2 3.83Å; F94-F130 HydrophobicContact CE2-CD2 3.83Å; F94-F130 AromaticContact CE2-CE2 3.86Å; F94-F130 HydrophobicContact CE2-CE2 3.86Å; F94-A133 HydrophobicContact CZ-CB 4.01Å
95Q97.6Very high96.4Very high67 Ų6763.9 Ų63.931%0.31333%0.325SS..Hα-helixtrans-59.5-41.2174-175.7172.52200111.5A91 R92 E93 S99 I110A91-Q95 VanDerWaalsContact O-CB 3.26Å; A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 PolarHBondContact O-N 2.77Å; R92-Q95 PolarHBondContact O-N 2.96Å; E93-Q95 PolarHBondContact O-N 2.74Å; Q95-S99 VanDerWaalsContact O-CB 3.27Å; Q95-S99 WeakPolarHBondContact O-CB 3.48Å; Q95-S99 PolarHBondContact O-N 3.23Å; Q95-S99 PolarHBondContact O-OG 3.14Å; Q95-I110 HydrophobicContact CB-CG1 4.23Å; Q95-I110 HydrophobicContact CB-CG2 4.26Å; Q95-I110 HydrophobicContact CG-CG1 4.32Å
96S97Very high96.5Very high57 Ų5756 Ų5640%0.39930%0.304SS..Hα-helixtrans-65.7-43.1178.1-590000111.5R92 E93 F94 S99 C100R92-S96 WeakPolarHBondContact O-CB 2.95Å; R92-S96 PolarHBondContact O-N 3.32Å; R92-S96 PolarHBondContact O-OG 2.63Å; E93-S96 WeakPolarHBondContact O-CB 3.44Å; E93-S96 PolarHBondContact O-N 3.1Å; E93-S96 VanDerWaalsContact O-N 3.15Å; F94-S96 VanDerWaalsContact C-N 3.27Å; F94-S96 PolarHBondContact O-N 2.8Å; S96-S99 PolarHBondContact O-N 2.99Å; S96-C100 PolarHBondContact O-N 3.36Å
97A97.4Very high96.7Very high0 Ų057.2 Ų57.20%031%0.31CS..Hα-helixtrans-59.4-54.7175.400000111.7Y81 E93 F94 S99 C100 F101 F130Y81-A97 HydrophobicContact CD1-CB 3.92Å; Y81-A97 HydrophobicContact CD2-CB 3.57Å; Y81-A97 HydrophobicContact CE1-CB 4.18Å; Y81-A97 HydrophobicContact CE2-CB 3.85Å; Y81-A97 HydrophobicContact CG-CB 3.63Å; E93-A97 PolarHBondContact O-N 2.86Å; F94-A97 PolarHBondContact O-N 3.16Å; A97-S99 VanDerWaalsContact C-N 3.3Å; A97-S99 PolarHBondContact O-N 2.92Å; A97-C100 WeakPolarHBondContact O-CB 3.31Å; A97-C100 PolarHBondContact O-N 3.24Å; A97-C100 VanDerWaalsContact O-N 3.1Å; A97-F101 HydrophobicContact CB-CE2 4.45Å; A97-F101 VanDerWaalsContact O-CG 3.31Å; A97-F101 WeakPolarHBondContact O-CG 3.46Å; A97-F101 PolarHBondContact O-N 3.3Å; A97-F130 HydrophobicContact CB-CE2 4.02Å; A97-F130 HydrophobicContact CB-CZ 4.19Å
98L97.2Very high96.8Very high2 Ų260.1 Ų60.11%0.0133%0.327CS..Hα-helixtrans-64-36-178.7-64.9-168000112.2F94 C100 F101 G102 Y103 L105 I110 M113 L137F94-L98 HydrophobicContact CD1-CD1 4.3Å; F94-L98 HydrophobicContact CD2-CG 4.15Å; F94-L98 HydrophobicContact CE1-CD1 3.81Å; F94-L98 HydrophobicContact CE1-CG 4.45Å; F94-L98 HydrophobicContact CE2-CD1 4.05Å; F94-L98 HydrophobicContact CE2-CD2 3.85Å; F94-L98 HydrophobicContact CE2-CG 3.86Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CG 4.02Å; F94-L98 WeakPolarHBondContact O-CG 3.2Å; F94-L98 PolarHBondContact O-N 3.37Å; L98-C100 VanDerWaalsContact C-N 3.32Å; L98-C100 PolarHBondContact O-N 2.98Å; L98-F101 HydrophobicContact CD2-CD2 3.92Å; L98-F101 HydrophobicContact CD2-CE2 4.35Å; L98-F101 PolarHBondContact O-N 3.35Å; L98-G102 PolarHBondContact O-N 3.45Å; L98-Y103 HydrophobicContact CB-CD2 4.25Å; L98-Y103 HydrophobicContact CD2-CD2 4.17Å; L98-Y103 VanDerWaalsContact O-CB 3.31Å; L98-Y103 WeakPolarHBondContact O-CB 3.2Å; L98-Y103 WeakPolarHBondContact O-CD2 3.36Å; L98-Y103 PolarHBondContact O-N 2.83Å; L98-L105 HydrophobicContact CD1-CD1 3.72Å; L98-I110 HydrophobicContact CD1-CD1 3.63Å; L98-M113 HydrophobicContact CD1-CE 4.41Å; L98-M113 HydrophobicContact CD1-SD 4.05Å; L98-L137 HydrophobicContact CD1-CD2 3.88Å; L98-L137 HydrophobicContact CD2-CD2 3.88Å
99S96.7Very high96.8Very high67 Ų6763.1 Ų63.147%0.46934%0.339SS..Hα-helixtrans-61.2-42174-60.20000111.8Q95 S96 A97 F101 G102 Y103Q95-S99 VanDerWaalsContact O-CB 3.27Å; Q95-S99 WeakPolarHBondContact O-CB 3.48Å; Q95-S99 PolarHBondContact O-N 3.23Å; Q95-S99 PolarHBondContact O-OG 3.14Å; S96-S99 PolarHBondContact O-N 2.99Å; A97-S99 VanDerWaalsContact C-N 3.3Å; A97-S99 PolarHBondContact O-N 2.92Å; S99-F101 VanDerWaalsContact C-N 3.32Å; S99-F101 PolarHBondContact O-N 3.38Å; S99-G102 PolarHBondContact O-N 3Å; S99-Y103 WeakPolarHBondContact CA-O 3.43Å
100C95.1Very high96.9Very high86 Ų8663.2 Ų63.258%0.58134%0.34SS*.Hα-helixtrans-68.1-31.6176.7-167.60000112.8Y81 S96 A97 L98 G102Y81-C100 HydrophobicContact CE1-CB 4.36Å; Y81-C100 WeakPolarHBondContact OH-CB 3.31Å; Y81-C100 PolarHBondContact OH-SG 2.74Å; S96-C100 PolarHBondContact O-N 3.36Å; A97-C100 WeakPolarHBondContact O-CB 3.31Å; A97-C100 PolarHBondContact O-N 3.24Å; A97-C100 VanDerWaalsContact O-N 3.1Å; L98-C100 VanDerWaalsContact C-N 3.32Å; L98-C100 PolarHBondContact O-N 2.98Å; C100-G102 PolarHBondContact O-N 3.26Å
101F96Very high96.9Very high78 Ų7867.7 Ų67.734%0.34236%0.357SS..THydrogen-bonded Turntrans-73.30.6172.1-57.5-19.3000113.3W74 C77 Y81 A97 L98 S99 Y103 F130W74-F101 HydrophobicContact CH2-CE2 4.47Å; W74-F101 HydrophobicContact CZ3-CE2 4.35Å; W74-F101 HydrophobicContact CZ3-CZ 4.26Å; C77-F101 WeakPolarHBondContact SG-CZ 3.29Å; Y81-F101 HydrophobicContact CE2-CE1 4.31Å; Y81-F101 HydrophobicContact CE2-CZ 4.45Å; A97-F101 HydrophobicContact CB-CE2 4.45Å; A97-F101 VanDerWaalsContact O-CG 3.31Å; A97-F101 WeakPolarHBondContact O-CG 3.46Å; A97-F101 PolarHBondContact O-N 3.3Å; L98-F101 HydrophobicContact CD2-CD2 3.92Å; L98-F101 HydrophobicContact CD2-CE2 4.35Å; L98-F101 PolarHBondContact O-N 3.35Å; S99-F101 VanDerWaalsContact C-N 3.32Å; S99-F101 PolarHBondContact O-N 3.38Å; F101-Y103 HydrophobicContact CB-CD2 3.79Å; F101-Y103 HydrophobicContact CB-CE2 3.9Å; F101-F130 HydrophobicContact CE2-CZ 4.17Å; F101-F130 HydrophobicContact CZ-CZ 4.15Å
102G95.7Very high96.8Very high56 Ų5671.4 Ų71.458%0.57737%0.371SS*.THydrogen-bonded Turntrans89.911.1177.300000114.4L98 S99 C100L98-G102 PolarHBondContact O-N 3.45Å; S99-G102 PolarHBondContact O-N 3Å; C100-G102 PolarHBondContact O-N 3.26Å
103Y96.4Very high96.8Very high35 Ų3562.5 Ų62.514%0.13734%0.338CS..  trans-84.6140.7174.7-63.7-75.8000111.8L98 S99 F101 L137 T141L98-Y103 HydrophobicContact CB-CD2 4.25Å; L98-Y103 HydrophobicContact CD2-CD2 4.17Å; L98-Y103 VanDerWaalsContact O-CB 3.31Å; L98-Y103 WeakPolarHBondContact O-CB 3.2Å; L98-Y103 WeakPolarHBondContact O-CD2 3.36Å; L98-Y103 PolarHBondContact O-N 2.83Å; S99-Y103 WeakPolarHBondContact CA-O 3.43Å; F101-Y103 HydrophobicContact CB-CD2 3.79Å; F101-Y103 HydrophobicContact CB-CE2 3.9Å; Y103-L137 HydrophobicContact CD1-CD2 4.06Å; Y103-L137 HydrophobicContact CD1-CG 4.44Å; Y103-L137 HydrophobicContact CD2-CD2 3.9Å; Y103-L137 HydrophobicContact CE1-CD1 4.46Å; Y103-L137 HydrophobicContact CE1-CD2 3.93Å; Y103-L137 HydrophobicContact CE1-CG 3.92Å; Y103-L137 HydrophobicContact CE2-CD2 3.77Å; Y103-L137 HydrophobicContact CE2-CG 4.33Å; Y103-L137 HydrophobicContact CG-CD2 4.06Å; Y103-T141 HydrophobicContact CE1-CG2 3.93Å; Y103-T141 WeakPolarHBondContact CE1-OG1 3.18Å
104R94.8Very high96.8Very high251 Ų25162.3 Ų62.395%0.94734%0.337SS*.  trans-117.384.4172.2-65-173.1-179.8-157.30.2109.1
105L96.6Very high96.7Very high50 Ų5066.1 Ų66.126%0.26236%0.364SS..  trans-111.4145.5-176.1-60.4171000110.6L98 F109 I110 M113 L137L98-L105 HydrophobicContact CD1-CD1 3.72Å; L105-F109 HydrophobicContact CB-CD1 4.11Å; L105-F109 HydrophobicContact CD1-CD1 3.93Å; L105-F109 HydrophobicContact CD1-CE1 4Å; L105-F109 HydrophobicContact CD2-CD1 3.88Å; L105-F109 HydrophobicContact CD2-CE1 3.97Å; L105-F109 HydrophobicContact CG-CD1 4.17Å; L105-F109 HydrophobicContact CG-CE1 4.48Å; L105-I110 HydrophobicContact CB-CD1 3.89Å; L105-I110 HydrophobicContact CB-CG1 4.34Å; L105-I110 HydrophobicContact CD1-CD1 4.15Å; L105-M113 HydrophobicContact CD1-SD 4.22Å; L105-L137 HydrophobicContact CD1-CD2 4.12Å
106S97.3Very high96.6Very high56 Ų5672 Ų7239%0.39238%0.383SS..  trans-70.6150.9179.467.90000111.3S108 F109 I110S106-S108 PolarHBondContact O-N 3.38Å; S106-S108 VanDerWaalsContact O-N 3.16Å; S106-S108 PolarHBondContact OG-OG 3.48Å; S106-F109 WeakPolarHBondContact O-CB 3.34Å; S106-F109 PolarHBondContact O-N 3.22Å; S106-F109 WeakPolarHBondContact OG-CB 3.47Å; S106-F109 PolarHBondContact OG-N 3.11Å; S106-I110 WeakPolarHBondContact O-CG1 3.47Å; S106-I110 PolarHBondContact O-N 3.06Å
107P97.5Very high96.5Very high76 Ų7671 Ų7149%0.49437%0.372SS..Hα-helixtrans-56.3-32.6175.8-26.334.3000113.6K111P107-K111 WeakPolarHBondContact O-CG 3.17Å; P107-K111 PolarHBondContact O-N 3.01Å; P107-K111 VanDerWaalsContact O-N 3.09Å
108S97.5Very high96.4Very high83 Ų8371.3 Ų71.358%0.5837%0.373SS*.Hα-helixtrans-67-40.5175.349.40000112.2S106 K111 M112S106-S108 PolarHBondContact O-N 3.38Å; S106-S108 VanDerWaalsContact O-N 3.16Å; S106-S108 PolarHBondContact OG-OG 3.48Å; S108-K111 PolarHBondContact O-N 3.42Å; S108-M112 PolarHBondContact O-N 3.13Å
109F97Very high96.2Very high77 Ų7775.4 Ų75.434%0.33839%0.388SS..Hα-helixtrans-67.4-40.8175.7-169.5-95.4000111.8L105 S106 K111 M112 M113L105-F109 HydrophobicContact CB-CD1 4.11Å; L105-F109 HydrophobicContact CD1-CD1 3.93Å; L105-F109 HydrophobicContact CD1-CE1 4Å; L105-F109 HydrophobicContact CD2-CD1 3.88Å; L105-F109 HydrophobicContact CD2-CE1 3.97Å; L105-F109 HydrophobicContact CG-CD1 4.17Å; L105-F109 HydrophobicContact CG-CE1 4.48Å; S106-F109 WeakPolarHBondContact O-CB 3.34Å; S106-F109 PolarHBondContact O-N 3.22Å; S106-F109 WeakPolarHBondContact OG-CB 3.47Å; S106-F109 PolarHBondContact OG-N 3.11Å; F109-K111 PolarHBondContact O-N 3.17Å; F109-M112 HydrophobicContact CD2-CE 3.52Å; F109-M112 HydrophobicContact CE2-CE 3.33Å; F109-M112 HydrophobicContact CG-CE 4.3Å; F109-M112 HydrophobicContact CZ-CE 3.98Å; F109-M112 WeakPolarHBondContact O-CB 3.5Å; F109-M112 PolarHBondContact O-N 3.47Å; F109-M113 HydrophobicContact CD1-CG 4Å; F109-M113 HydrophobicContact CD1-SD 3.85Å; F109-M113 HydrophobicContact CE1-CG 3.77Å; F109-M113 HydrophobicContact CE1-SD 3.49Å; F109-M113 WeakPolarHBondContact CE1-SD 3.36Å; F109-M113 HydrophobicContact CZ-CG 4.41Å; F109-M113 HydrophobicContact CZ-SD 4.48Å; F109-M113 WeakPolarHBondContact O-CG 3.47Å; F109-M113 PolarHBondContact O-N 2.91Å
110I97.8Very high95.9Very high3 Ų374.9 Ų74.92%0.01538%0.38CS..Hα-helixtrans-57.4-48174.3-63.1-62.2000111.2A91 F94 Q95 L98 L105 S106 M112 M113 I114A91-I110 WeakPolarHBondContact O-CG2 3.47Å; F94-I110 HydrophobicContact CB-CG2 4.36Å; F94-I110 HydrophobicContact CD1-CG2 3.96Å; Q95-I110 HydrophobicContact CB-CG1 4.23Å; Q95-I110 HydrophobicContact CB-CG2 4.26Å; Q95-I110 HydrophobicContact CG-CG1 4.32Å; L98-I110 HydrophobicContact CD1-CD1 3.63Å; L105-I110 HydrophobicContact CB-CD1 3.89Å; L105-I110 HydrophobicContact CB-CG1 4.34Å; L105-I110 HydrophobicContact CD1-CD1 4.15Å; S106-I110 WeakPolarHBondContact O-CG1 3.47Å; S106-I110 PolarHBondContact O-N 3.06Å; I110-M112 VanDerWaalsContact C-N 3.31Å; I110-M112 PolarHBondContact O-N 3.05Å; I110-M113 WeakPolarHBondContact O-CB 3.44Å; I110-M113 PolarHBondContact O-N 3.1Å; I110-I114 PolarHBondContact O-N 3.46Å
111K96.6Very high95.7Very high139 Ų13977.7 Ų77.760%0.60438%0.383SS*.Hα-helixtrans-61-40.2176.7-73.5177.9179.8-175.40112.4A91 P107 S108 F109 I114 S115A91-K111 HydrophobicContact CB-CG 4.41Å; P107-K111 WeakPolarHBondContact O-CG 3.17Å; P107-K111 PolarHBondContact O-N 3.01Å; P107-K111 VanDerWaalsContact O-N 3.09Å; S108-K111 PolarHBondContact O-N 3.42Å; F109-K111 PolarHBondContact O-N 3.17Å; K111-I114 PolarHBondContact O-N 3.21Å; K111-S115 PolarHBondContact O-N 3Å
112M96.8Very high95.5Very high107 Ų10779.1 Ų79.153%0.52739%0.391SS..Hα-helixtrans-62.1-43.4175-176.5-164.973.500111.3S108 F109 I110 S115 R116S108-M112 PolarHBondContact O-N 3.13Å; F109-M112 HydrophobicContact CD2-CE 3.52Å; F109-M112 HydrophobicContact CE2-CE 3.33Å; F109-M112 HydrophobicContact CG-CE 4.3Å; F109-M112 HydrophobicContact CZ-CE 3.98Å; F109-M112 WeakPolarHBondContact O-CB 3.5Å; F109-M112 PolarHBondContact O-N 3.47Å; I110-M112 VanDerWaalsContact C-N 3.31Å; I110-M112 PolarHBondContact O-N 3.05Å; M112-S115 PolarHBondContact O-N 2.94Å; M112-R116 WeakPolarHBondContact O-CB 3.38Å; M112-R116 PolarHBondContact O-N 3.34Å
113M97Very high95.4Very high11 Ų1178.8 Ų78.85%0.05439%0.387CS..Hα-helixtrans-60.5-48.2176.1-71.7-173.372.800111.4F94 L98 L105 F109 I110 S115 R116 F117 L137F94-M113 HydrophobicContact CE1-CB 3.84Å; F94-M113 HydrophobicContact CE1-CE 4.03Å; F94-M113 HydrophobicContact CE1-SD 4.12Å; F94-M113 HydrophobicContact CZ-CE 3.94Å; L98-M113 HydrophobicContact CD1-CE 4.41Å; L98-M113 HydrophobicContact CD1-SD 4.05Å; L105-M113 HydrophobicContact CD1-SD 4.22Å; F109-M113 HydrophobicContact CD1-CG 4Å; F109-M113 HydrophobicContact CD1-SD 3.85Å; F109-M113 HydrophobicContact CE1-CG 3.77Å; F109-M113 HydrophobicContact CE1-SD 3.49Å; F109-M113 WeakPolarHBondContact CE1-SD 3.36Å; F109-M113 HydrophobicContact CZ-CG 4.41Å; F109-M113 HydrophobicContact CZ-SD 4.48Å; F109-M113 WeakPolarHBondContact O-CG 3.47Å; F109-M113 PolarHBondContact O-N 2.91Å; I110-M113 WeakPolarHBondContact O-CB 3.44Å; I110-M113 PolarHBondContact O-N 3.1Å; M113-S115 VanDerWaalsContact C-N 3.35Å; M113-S115 PolarHBondContact O-N 2.91Å; M113-R116 WeakPolarHBondContact O-CB 3.29Å; M113-R116 PolarHBondContact O-N 3.31Å; M113-F117 HydrophobicContact CB-CD2 4.41Å; M113-F117 HydrophobicContact CE-CE2 4.04Å; M113-F117 WeakPolarHBondContact O-CD2 3.27Å; M113-F117 PolarHBondContact O-N 3.19Å; M113-L137 HydrophobicContact CE-CB 4.16Å; M113-L137 HydrophobicContact CE-CD1 4.38Å; M113-L137 HydrophobicContact CE-CD2 4.09Å; M113-L137 HydrophobicContact CE-CG 4.44Å
114I96.9Very high95.4Very high8 Ų879.3 Ų79.34%0.04139%0.39CS..Hα-helixtrans-56.3-50.6176.6-74.4179.2000110.8A91 F94 I110 K111 R116 F117 D118 G123 I125A91-I114 HydrophobicContact CB-CD1 3.78Å; F94-I114 HydrophobicContact CB-CD1 4.09Å; F94-I114 HydrophobicContact CD1-CD1 4.2Å; F94-I114 HydrophobicContact CD1-CG1 3.8Å; F94-I114 HydrophobicContact CE1-CG1 4.47Å; F94-I114 HydrophobicContact CG-CG1 4.47Å; I110-I114 PolarHBondContact O-N 3.46Å; K111-I114 PolarHBondContact O-N 3.21Å; I114-R116 PolarHBondContact O-N 3.27Å; I114-R116 VanDerWaalsContact O-N 3.15Å; I114-F117 PolarHBondContact O-N 3Å; I114-F117 VanDerWaalsContact O-N 3.16Å; I114-D118 HydrophobicContact CG2-CB 4.48Å; I114-D118 WeakPolarHBondContact O-CB 3.27Å; I114-D118 PolarHBondContact O-N 3.12Å; I114-G123 WeakPolarHBondContact CG2-O 3.27Å; I114-I125 HydrophobicContact CG1-CG2 4.5Å; I114-I125 HydrophobicContact CG2-CG2 4.29Å
115S96Very high95.4Very high79 Ų7967.3 Ų67.355%0.55235%0.345SS*.Hα-helixtrans-57.1-33.9178.4-178.60000113.1K111 M112 M113 K121K111-S115 PolarHBondContact O-N 3Å; M112-S115 PolarHBondContact O-N 2.94Å; M113-S115 VanDerWaalsContact C-N 3.35Å; M113-S115 PolarHBondContact O-N 2.91Å; S115-K121 PolarHBondContact O-NZ 3.41Å
116R95.3Very high95.5Very high190 Ų19065 Ų6572%0.71733%0.333SS*.Hα-helixtrans-72.9-38.9179.6-178.160.6178.7128.3-5.4113.1M112 M113 I114M112-R116 WeakPolarHBondContact O-CB 3.38Å; M112-R116 PolarHBondContact O-N 3.34Å; M113-R116 WeakPolarHBondContact O-CB 3.29Å; M113-R116 PolarHBondContact O-N 3.31Å; I114-R116 PolarHBondContact O-N 3.27Å; I114-R116 VanDerWaalsContact O-N 3.15Å
117F95.2Very high95.4Very high37 Ų3762.9 Ų62.916%0.16232%0.317CS..Hα-helixtrans-98.6-20.8-173.9-67.5-69.5000114M113 I114 R119 I125 D129 Y132 A133 C136M113-F117 HydrophobicContact CB-CD2 4.41Å; M113-F117 HydrophobicContact CE-CE2 4.04Å; M113-F117 WeakPolarHBondContact O-CD2 3.27Å; M113-F117 PolarHBondContact O-N 3.19Å; I114-F117 PolarHBondContact O-N 3Å; I114-F117 VanDerWaalsContact O-N 3.16Å; F117-R119 PolarHBondContact O-N 3.4Å; F117-I125 HydrophobicContact CB-CG2 4.33Å; F117-D129 VanDerWaalsContact O-CG 3.3Å; F117-Y132 AromaticContact CD1-CD1 3.7Å; F117-Y132 HydrophobicContact CD1-CD1 3.7Å; F117-Y132 HydrophobicContact CD1-CE1 4.31Å; F117-Y132 AromaticContact CE1-CD1 3.55Å; F117-Y132 HydrophobicContact CE1-CD1 3.55Å; F117-Y132 AromaticContact CE1-CE1 3.87Å; F117-Y132 HydrophobicContact CE1-CE1 3.87Å; F117-A133 HydrophobicContact CB-CB 4.19Å; F117-A133 HydrophobicContact CD1-CB 4.11Å; F117-A133 HydrophobicContact CD2-CB 3.42Å; F117-A133 VanDerWaalsContact CD2-CB 3.42Å; F117-A133 HydrophobicContact CE1-CB 4.36Å; F117-A133 HydrophobicContact CE2-CB 3.75Å; F117-A133 HydrophobicContact CG-CB 3.64Å; F117-A133 HydrophobicContact CZ-CB 4.2Å; F117-C136 HydrophobicContact CE1-CB 4.47Å; F117-C136 HydrophobicContact CZ-CB 4.15Å
118D95.3Very high95.4Very high7 Ų759.2 Ų59.24%0.03729%0.293CS..  trans-66.399.5174.2176.79.6000110.5I114 N120 K121 Q122 G123 I125I114-D118 HydrophobicContact CG2-CB 4.48Å; I114-D118 WeakPolarHBondContact O-CB 3.27Å; I114-D118 PolarHBondContact O-N 3.12Å; D118-N120 PolarHBondContact OD1-N 3.3Å; D118-K121 VanDerWaalsContact CG-N 3.33Å; D118-K121 WeakPolarHBondContact O-CE 3.4Å; D118-K121 PolarHBondContact O-NZ 3.26Å; D118-K121 PolarHBondContact OD1-N 3.16Å; D118-K121 VanDerWaalsContact OD2-C 3.26Å; D118-K121 WeakPolarHBondContact OD2-CA 3.35Å; D118-K121 PolarHBondContact OD2-N 3.42Å; D118-Q122 PolarHBondContact OD1-N 3.26Å; D118-Q122 PolarHBondContact OD2-N 2.86Å; D118-G123 PolarHBondContact OD2-N 3.01Å; D118-I125 HydrophobicContact CB-CG2 3.95Å
119R93.7Very high95.4Very high87 Ų8755.3 Ų55.333%0.32827%0.266SS..SBendtrans-74.9-27.6177.5-71.1-176.7-64.1142.88.9112.8N40 F117 D128 D129N40-R119 PolarHBondContact ND2-NE 2.84Å; F117-R119 PolarHBondContact O-N 3.4Å; R119-D128 IonicContact CZ-OD2 3.15Å; R119-D128 IonicContact NH2-OD1 3.15Å; R119-D128 PolarHBondContact NH2-OD1 3.07Å; R119-D128 VanDerWaalsContact NH2-OD1 3.15Å; R119-D128 IonicContact NH2-OD2 3.56Å; R119-D128 PolarHBondContact NH2-OD2 2.68Å; R119-D129 IonicContact CZ-OD1 3.69Å; R119-D129 IonicContact CZ-OD2 2.72Å; R119-D129 VanDerWaalsContact NE-CG 3.28Å; R119-D129 IonicContact NE-OD1 3.35Å; R119-D129 PolarHBondContact NE-OD1 3.05Å; R119-D129 IonicContact NE-OD2 3.02Å; R119-D129 PolarHBondContact NE-OD2 2.88Å; R119-D129 IonicContact NH2-OD1 2.67Å; R119-D129 PolarHBondContact NH2-OD1 3.5Å; R119-D129 IonicContact NH2-OD2 3.41Å; R119-D129 PolarHBondContact NH2-OD2 3.18Å; R119-D129 VanDerWaalsContact NH2-OD2 3.15Å
120N90.3Very high95.4Very high56 Ų5651.7 Ų51.730%0.29925%0.25SS..SBendtrans-96.2-3.8-173.6-55.9-55000113I35 D118 Q122I35-N120 WeakPolarHBondContact CD1-ND2 3.41Å; D118-N120 PolarHBondContact OD1-N 3.3Å; N120-Q122 VanDerWaalsContact C-N 3.27Å; N120-Q122 HydrophobicContact CB-CG 4.16Å; N120-Q122 PolarHBondContact O-N 2.94Å
121K91Very high95.4Very high146 Ų14651.5 Ų51.564%0.63525%0.249SC*.  trans58.437.8176.9-54.9-55.8178.5-156.70112.9S115 D118S115-K121 PolarHBondContact O-NZ 3.41Å; D118-K121 VanDerWaalsContact CG-N 3.33Å; D118-K121 WeakPolarHBondContact O-CE 3.4Å; D118-K121 PolarHBondContact O-NZ 3.26Å; D118-K121 PolarHBondContact OD1-N 3.16Å; D118-K121 VanDerWaalsContact OD2-C 3.26Å; D118-K121 WeakPolarHBondContact OD2-CA 3.35Å; D118-K121 PolarHBondContact OD2-N 3.42Å
122Q89.9Confident95.3Very high108 Ų10846.9 Ų46.951%0.50523%0.228SC..SBendtrans-90.9-6.8177.6-67.3180-23.300112.8L88 D118 N120 Q124L88-Q122 VanDerWaalsContact CD1-OE1 3.29Å; D118-Q122 PolarHBondContact OD1-N 3.26Å; D118-Q122 PolarHBondContact OD2-N 2.86Å; N120-Q122 VanDerWaalsContact C-N 3.27Å; N120-Q122 HydrophobicContact CB-CG 4.16Å; N120-Q122 PolarHBondContact O-N 2.94Å; Q122-Q124 PolarHBondContact O-N 3.04Å
123G93.9Very high95.3Very high48 Ų4841.8 Ų41.850%0.49520%0.203SC..SBendtrans78.46.8-17400000113.5I114 D118I114-G123 WeakPolarHBondContact CG2-O 3.27Å; D118-G123 PolarHBondContact OD2-N 3.01Å
124Q96.1Very high95.3Very high46 Ų4641.6 Ų41.622%0.21520%0.203CC..SBendtrans-138.4160.1178.1-56.5176.8-69.300108.2L88 I89 D90 Q122L88-Q124 HydrophobicContact CB-CB 3.8Å; L88-Q124 HydrophobicContact CD1-CB 4.24Å; L88-Q124 HydrophobicContact CG-CB 4.49Å; I89-Q124 CarbonylContact O-C 3.55Å; I89-Q124 VanDerWaalsContact O-CA 3.29Å; I89-Q124 WeakPolarHBondContact O-CA 3.36Å; I89-Q124 WeakPolarHBondContact O-CB 3.33Å; D90-Q124 HydrophobicContact CB-CG 3.99Å; Q122-Q124 PolarHBondContact O-N 3.04Å
125I96.4Very high95.2Very high0 Ų041.3 Ų41.30%020%0.201CC..BIsolated β-bridgetrans-113.5137.3-179.359.5-176.8000111.5I89 F94 I114 F117 D118 D129 F130I89-I125 HydrophobicContact CB-CG1 3.94Å; I89-I125 HydrophobicContact CG2-CD1 4.49Å; I89-I125 HydrophobicContact CG2-CG1 4.16Å; I89-I125 PolarHBondContact N-O 2.95Å; I89-I125 PolarHBondContact O-N 3.43Å; F94-I125 HydrophobicContact CD2-CD1 4.11Å; F94-I125 HydrophobicContact CE2-CD1 4.13Å; F94-I125 HydrophobicContact CG-CD1 4.33Å; F94-I125 HydrophobicContact CZ-CD1 4.34Å; I114-I125 HydrophobicContact CG1-CG2 4.5Å; I114-I125 HydrophobicContact CG2-CG2 4.29Å; F117-I125 HydrophobicContact CB-CG2 4.33Å; D118-I125 HydrophobicContact CB-CG2 3.95Å; I125-D129 HydrophobicContact CB-CB 4.1Å; I125-F130 HydrophobicContact CD1-CB 4.14Å; I125-F130 HydrophobicContact CD1-CD2 4.22Å; I125-F130 HydrophobicContact CG1-CB 4.34Å
126A97Very high95.1Very high1 Ų138 Ų381%0.00818%0.178CC..  trans-76.5172.2174.900000111.6N33 I35 L88 D128 D129 F130N33-A126 HydrophobicContact CB-CB 4.36Å; I35-A126 HydrophobicContact CD1-CB 3.76Å; I35-A126 HydrophobicContact CG1-CB 4.16Å; L88-A126 HydrophobicContact CD2-CB 3.93Å; A126-D128 VanDerWaalsContact C-N 3.34Å; A126-D128 WeakPolarHBondContact CB-OD1 3.45Å; A126-D128 PolarHBondContact O-N 3.18Å; A126-D129 PolarHBondContact O-N 3.08Å; A126-F130 WeakPolarHBondContact O-CB 3.42Å; A126-F130 PolarHBondContact O-N 3.12Å
127F97.2Very high95.1Very high11 Ų1129.8 Ų29.85%0.04815%0.148CC..Hα-helixtrans-53.9-45.7-175.8172.6-125000114F39 V71 W74 Q75 F78 F130 I131F39-F127 AromaticContact CE2-CD1 3.88Å; F39-F127 HydrophobicContact CE2-CD1 3.88Å; F39-F127 HydrophobicContact CE2-CE1 4.08Å; F39-F127 HydrophobicContact CZ-CD1 4.43Å; F39-F127 HydrophobicContact CZ-CE1 4.37Å; V71-F127 HydrophobicContact CG1-CE1 4.47Å; V71-F127 HydrophobicContact CG1-CZ 4.48Å; W74-F127 HydrophobicContact CB-CE2 3.84Å; W74-F127 HydrophobicContact CB-CZ 3.98Å; Q75-F127 HydrophobicContact CB-CE2 4.44Å; Q75-F127 HydrophobicContact CB-CZ 4.25Å; Q75-F127 HydrophobicContact CG-CE1 3.72Å; Q75-F127 HydrophobicContact CG-CE2 3.95Å; Q75-F127 HydrophobicContact CG-CZ 3.37Å; F78-F127 HydrophobicContact CB-CD2 3.73Å; F78-F127 HydrophobicContact CB-CE2 4.12Å; F78-F127 HydrophobicContact CD1-CD2 4.48Å; F78-F127 HydrophobicContact CD2-CB 4.19Å; F78-F127 AromaticContact CD2-CD2 3.84Å; F78-F127 HydrophobicContact CD2-CD2 3.84Å; F78-F127 VanDerWaalsContact CE2-CA 3.43Å; F78-F127 HydrophobicContact CE2-CB 4.12Å; F78-F127 HydrophobicContact CG-CB 4.41Å; F78-F127 AromaticContact CG-CD2 3.76Å; F78-F127 HydrophobicContact CG-CD2 3.76Å; F78-F127 HydrophobicContact CZ-CB 4.29Å; F127-F130 PolarHBondContact O-N 3.42Å; F127-I131 HydrophobicContact CD1-CD1 4.23Å; F127-I131 HydrophobicContact CD2-CD1 3.99Å; F127-I131 HydrophobicContact CD2-CG1 4.32Å; F127-I131 HydrophobicContact CE1-CD1 3.7Å; F127-I131 HydrophobicContact CE2-CD1 3.44Å; F127-I131 VanDerWaalsContact CE2-CD1 3.44Å; F127-I131 HydrophobicContact CE2-CG1 3.89Å; F127-I131 HydrophobicContact CG-CD1 4.36Å; F127-I131 HydrophobicContact CZ-CD1 3.26Å; F127-I131 HydrophobicContact CZ-CG1 4.2Å; F127-I131 WeakPolarHBondContact O-CG1 3.13Å; F127-I131 PolarHBondContact O-N 2.72Å; F127-I131 VanDerWaalsContact O-N 3.12Å
128D97.4Very high95Very high0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-66.9-37.9179.951-2000113.2N33 F39 N40 T43 R119 A126 Y132N33-D128 HydrophobicContact CB-CB 4.2Å; N33-D128 VanDerWaalsContact CB-CG 3.44Å; N33-D128 WeakPolarHBondContact CB-OD2 3.43Å; N33-D128 PolarHBondContact ND2-OD2 3.48Å; F39-D128 VanDerWaalsContact CA-OD2 3.31Å; F39-D128 WeakPolarHBondContact CA-OD2 3.29Å; F39-D128 HydrophobicContact CD1-CB 3.7Å; F39-D128 HydrophobicContact CD2-CB 3.74Å; F39-D128 HydrophobicContact CE1-CB 3.51Å; F39-D128 HydrophobicContact CE2-CB 3.55Å; F39-D128 HydrophobicContact CG-CB 3.84Å; F39-D128 HydrophobicContact CZ-CB 3.42Å; F39-D128 VanDerWaalsContact CZ-CB 3.42Å; N40-D128 HydrophobicContact CB-CB 3.92Å; N40-D128 PolarHBondContact N-OD2 3.1Å; T43-D128 WeakPolarHBondContact CG2-O 3.39Å; T43-D128 PolarHBondContact OG1-O 2.91Å; R119-D128 IonicContact CZ-OD2 3.15Å; R119-D128 IonicContact NH2-OD1 3.15Å; R119-D128 PolarHBondContact NH2-OD1 3.07Å; R119-D128 VanDerWaalsContact NH2-OD1 3.15Å; R119-D128 IonicContact NH2-OD2 3.56Å; R119-D128 PolarHBondContact NH2-OD2 2.68Å; A126-D128 VanDerWaalsContact C-N 3.34Å; A126-D128 WeakPolarHBondContact CB-OD1 3.45Å; A126-D128 PolarHBondContact O-N 3.18Å; D128-Y132 PolarHBondContact O-N 3.05Å; D128-Y132 VanDerWaalsContact O-N 3.15Å
129D96.8Very high94.9Very high1 Ų134 Ų341%0.00517%0.169CC..Hα-helixtrans-74.1-33.6176.9-69.1-32.4000112N40 F117 R119 I125 A126 Y132 A133N40-D129 PolarHBondContact ND2-OD1 3Å; F117-D129 VanDerWaalsContact O-CG 3.3Å; R119-D129 IonicContact CZ-OD1 3.69Å; R119-D129 IonicContact CZ-OD2 2.72Å; R119-D129 VanDerWaalsContact NE-CG 3.28Å; R119-D129 IonicContact NE-OD1 3.35Å; R119-D129 PolarHBondContact NE-OD1 3.05Å; R119-D129 IonicContact NE-OD2 3.02Å; R119-D129 PolarHBondContact NE-OD2 2.88Å; R119-D129 IonicContact NH2-OD1 2.67Å; R119-D129 PolarHBondContact NH2-OD1 3.5Å; R119-D129 IonicContact NH2-OD2 3.41Å; R119-D129 PolarHBondContact NH2-OD2 3.18Å; R119-D129 VanDerWaalsContact NH2-OD2 3.15Å; I125-D129 HydrophobicContact CB-CB 4.1Å; A126-D129 PolarHBondContact O-N 3.08Å; D129-Y132 PolarHBondContact O-N 3.15Å; D129-A133 VanDerWaalsContact O-CB 3.27Å; D129-A133 WeakPolarHBondContact O-CB 3.3Å; D129-A133 PolarHBondContact O-N 2.88Å
130F97.2Very high94.9Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-61.9-46.8171.9173.1-104.9000111.9W74 F78 F94 A97 F101 I125 A126 F127 A133 C134W74-F130 HydrophobicContact CE3-CD1 4.07Å; W74-F130 AromaticContact CE3-CE1 3.61Å; W74-F130 HydrophobicContact CE3-CE1 3.61Å; W74-F130 HydrophobicContact CZ3-CD1 4.13Å; W74-F130 AromaticContact CZ3-CE1 3.47Å; W74-F130 HydrophobicContact CZ3-CE1 3.47Å; W74-F130 VanDerWaalsContact CZ3-CE1 3.47Å; W74-F130 HydrophobicContact CZ3-CZ 4.04Å; F78-F130 HydrophobicContact CB-CD1 4.43Å; F78-F130 HydrophobicContact CD2-CB 3.89Å; F78-F130 AromaticContact CD2-CD1 3.7Å; F78-F130 HydrophobicContact CD2-CD1 3.7Å; F78-F130 HydrophobicContact CD2-CE1 4.39Å; F78-F130 AromaticContact CD2-CG 3.86Å; F78-F130 HydrophobicContact CD2-CG 3.86Å; F78-F130 HydrophobicContact CE2-CB 3.94Å; F78-F130 HydrophobicContact CE2-CG 4.31Å; F94-F130 AromaticContact CD2-CD2 3.86Å; F94-F130 HydrophobicContact CD2-CD2 3.86Å; F94-F130 AromaticContact CD2-CE2 3.8Å; F94-F130 HydrophobicContact CD2-CE2 3.8Å; F94-F130 AromaticContact CE2-CD2 3.83Å; F94-F130 HydrophobicContact CE2-CD2 3.83Å; F94-F130 AromaticContact CE2-CE2 3.86Å; F94-F130 HydrophobicContact CE2-CE2 3.86Å; A97-F130 HydrophobicContact CB-CE2 4.02Å; A97-F130 HydrophobicContact CB-CZ 4.19Å; F101-F130 HydrophobicContact CE2-CZ 4.17Å; F101-F130 HydrophobicContact CZ-CZ 4.15Å; I125-F130 HydrophobicContact CD1-CB 4.14Å; I125-F130 HydrophobicContact CD1-CD2 4.22Å; I125-F130 HydrophobicContact CG1-CB 4.34Å; A126-F130 WeakPolarHBondContact O-CB 3.42Å; A126-F130 PolarHBondContact O-N 3.12Å; F127-F130 PolarHBondContact O-N 3.42Å; F130-A133 PolarHBondContact O-N 3.15Å; F130-C134 VanDerWaalsContact CE2-SG 3.56Å; F130-C134 WeakPolarHBondContact O-CB 3.15Å; F130-C134 PolarHBondContact O-N 2.76Å; F130-C134 PolarHBondContact O-SG 3.47Å
131I96.8Very high95.1Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-59.5-50.2175.9-64.5160.7000109.8F39 T43 M47 W74 F127 A133 C134 V135F39-I131 HydrophobicContact CZ-CD1 4.28Å; T43-I131 HydrophobicContact CG2-CB 3.99Å; T43-I131 HydrophobicContact CG2-CG2 3.9Å; M47-I131 HydrophobicContact CE-CD1 3.5Å; M47-I131 VanDerWaalsContact CE-CD1 3.5Å; M47-I131 HydrophobicContact CE-CG1 4.49Å; M47-I131 HydrophobicContact CE-CG2 3.89Å; W74-I131 HydrophobicContact CB-CD1 4.1Å; W74-I131 HydrophobicContact CB-CG1 3.98Å; W74-I131 HydrophobicContact CD2-CG1 3.94Å; W74-I131 HydrophobicContact CD2-CG2 4.47Å; W74-I131 HydrophobicContact CE3-CG1 4.19Å; W74-I131 HydrophobicContact CG-CD1 4.33Å; W74-I131 HydrophobicContact CG-CG1 3.85Å; F127-I131 HydrophobicContact CD1-CD1 4.23Å; F127-I131 HydrophobicContact CD2-CD1 3.99Å; F127-I131 HydrophobicContact CD2-CG1 4.32Å; F127-I131 HydrophobicContact CE1-CD1 3.7Å; F127-I131 HydrophobicContact CE2-CD1 3.44Å; F127-I131 VanDerWaalsContact CE2-CD1 3.44Å; F127-I131 HydrophobicContact CE2-CG1 3.89Å; F127-I131 HydrophobicContact CG-CD1 4.36Å; F127-I131 HydrophobicContact CZ-CD1 3.26Å; F127-I131 HydrophobicContact CZ-CG1 4.2Å; F127-I131 WeakPolarHBondContact O-CG1 3.13Å; F127-I131 PolarHBondContact O-N 2.72Å; F127-I131 VanDerWaalsContact O-N 3.12Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.35Å; I131-C134 PolarHBondContact O-N 2.67Å; I131-V135 HydrophobicContact CG2-CG2 4.12Å; I131-V135 VanDerWaalsContact O-CG2 3.29Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 3.01Å
132Y95.7Very high95.3Very high42 Ų4228.2 Ų28.217%0.16515%0.152CC..Hα-helixtrans-59.3-44.3-179.1-164.1-108.7000112.3R42 T43 L46 F117 D128 D129 C134 C136R42-Y132 HydrophobicContact CB-CD2 4.17Å; R42-Y132 HydrophobicContact CB-CE2 3.63Å; T43-Y132 WeakPolarHBondContact OG1-CB 3.49Å; L46-Y132 HydrophobicContact CB-CD2 4.5Å; L46-Y132 HydrophobicContact CB-CE2 4.43Å; L46-Y132 HydrophobicContact CD2-CD2 3.67Å; L46-Y132 HydrophobicContact CD2-CE2 4.05Å; F117-Y132 AromaticContact CD1-CD1 3.7Å; F117-Y132 HydrophobicContact CD1-CD1 3.7Å; F117-Y132 HydrophobicContact CD1-CE1 4.31Å; F117-Y132 AromaticContact CE1-CD1 3.55Å; F117-Y132 HydrophobicContact CE1-CD1 3.55Å; F117-Y132 AromaticContact CE1-CE1 3.87Å; F117-Y132 HydrophobicContact CE1-CE1 3.87Å; D128-Y132 PolarHBondContact O-N 3.05Å; D128-Y132 VanDerWaalsContact O-N 3.15Å; D129-Y132 PolarHBondContact O-N 3.15Å; Y132-C134 PolarHBondContact O-N 3.21Å; Y132-C136 VanDerWaalsContact CE1-SG 3.55Å; Y132-C136 VanDerWaalsContact O-CB 3.27Å; Y132-C136 WeakPolarHBondContact O-CB 3.41Å; Y132-C136 PolarHBondContact O-N 3.4Å; Y132-C136 PolarHBondContact O-SG 3.15Å
133A96Very high95.4Very high0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-60.4-46.8177.700000111.8F94 F117 D129 F130 I131 L137F94-A133 HydrophobicContact CZ-CB 4.01Å; F117-A133 HydrophobicContact CB-CB 4.19Å; F117-A133 HydrophobicContact CD1-CB 4.11Å; F117-A133 HydrophobicContact CD2-CB 3.42Å; F117-A133 VanDerWaalsContact CD2-CB 3.42Å; F117-A133 HydrophobicContact CE1-CB 4.36Å; F117-A133 HydrophobicContact CE2-CB 3.75Å; F117-A133 HydrophobicContact CG-CB 3.64Å; F117-A133 HydrophobicContact CZ-CB 4.2Å; D129-A133 VanDerWaalsContact O-CB 3.27Å; D129-A133 WeakPolarHBondContact O-CB 3.3Å; D129-A133 PolarHBondContact O-N 2.88Å; F130-A133 PolarHBondContact O-N 3.15Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.35Å; A133-L137 VanDerWaalsContact O-CB 3.29Å; A133-L137 WeakPolarHBondContact O-CB 3.21Å; A133-L137 PolarHBondContact O-N 3.46Å
134C96.6Very high95.5Very high6 Ų624.7 Ų24.74%0.04112%0.123CC..Hα-helixtrans-67.8-42.4-178.3-660000112.3W74 F130 I131 Y132 L137 Q138W74-C134 HydrophobicContact CH2-CB 3.4Å; W74-C134 VanDerWaalsContact CH2-CB 3.4Å; W74-C134 HydrophobicContact CZ2-CB 4.26Å; W74-C134 HydrophobicContact CZ3-CB 3.92Å; F130-C134 VanDerWaalsContact CE2-SG 3.56Å; F130-C134 WeakPolarHBondContact O-CB 3.15Å; F130-C134 PolarHBondContact O-N 2.76Å; F130-C134 PolarHBondContact O-SG 3.47Å; I131-C134 PolarHBondContact O-N 2.67Å; Y132-C134 PolarHBondContact O-N 3.21Å; C134-L137 PolarHBondContact O-N 3.34Å; C134-Q138 WeakPolarHBondContact O-CB 3.44Å; C134-Q138 PolarHBondContact O-N 2.82Å
135V94.6Very high95.4Very high3 Ų329.8 Ų29.82%0.01814%0.14CC..Hα-helixtrans-69.7-43.6179.5178.60000111L46 M50 Y70 W74 I131 L137 Q138 I139L46-V135 HydrophobicContact CD1-CG1 3.87Å; L46-V135 HydrophobicContact CD2-CB 3.75Å; L46-V135 HydrophobicContact CD2-CG1 3.63Å; L46-V135 HydrophobicContact CD2-CG2 4.28Å; L46-V135 HydrophobicContact CG-CG1 4.13Å; M50-V135 HydrophobicContact SD-CG1 4.23Å; Y70-V135 VanDerWaalsContact OH-CG2 3.22Å; Y70-V135 WeakPolarHBondContact OH-CG2 3.33Å; W74-V135 HydrophobicContact CZ2-CG2 4.23Å; I131-V135 HydrophobicContact CG2-CG2 4.12Å; I131-V135 VanDerWaalsContact O-CG2 3.29Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 3.01Å; V135-L137 VanDerWaalsContact C-N 3.29Å; V135-L137 PolarHBondContact O-N 2.99Å; V135-Q138 PolarHBondContact O-N 2.95Å; V135-Q138 VanDerWaalsContact O-N 3.12Å; V135-I139 HydrophobicContact CG1-CD1 3.86Å; V135-I139 HydrophobicContact CG1-CG1 4.32Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 3.39Å
136C93.8Very high95.2Very high9 Ų938.5 Ų38.56%0.06117%0.173CC..Hα-helixtrans-56.1-45.7172.9-72.10000111.4F117 Y132 Q138 I139 L140 I169F117-C136 HydrophobicContact CE1-CB 4.47Å; F117-C136 HydrophobicContact CZ-CB 4.15Å; Y132-C136 VanDerWaalsContact CE1-SG 3.55Å; Y132-C136 VanDerWaalsContact O-CB 3.27Å; Y132-C136 WeakPolarHBondContact O-CB 3.41Å; Y132-C136 PolarHBondContact O-N 3.4Å; Y132-C136 PolarHBondContact O-SG 3.15Å; C136-Q138 VanDerWaalsContact C-N 3.32Å; C136-Q138 PolarHBondContact O-N 3.49Å; C136-I139 PolarHBondContact O-N 2.92Å; C136-L140 WeakPolarHBondContact O-CB 3.43Å; C136-L140 PolarHBondContact O-N 2.82Å; C136-I169 HydrophobicContact CB-CG2 4.41Å
137L95.3Very high95.1Very high18 Ų1841.7 Ų41.79%0.09419%0.186CC..Hα-helixtrans-61.7-41.8177.6-179.964.8000111.3L98 Y103 L105 M113 A133 C134 V135 T141L98-L137 HydrophobicContact CD1-CD2 3.88Å; L98-L137 HydrophobicContact CD2-CD2 3.88Å; Y103-L137 HydrophobicContact CD1-CD2 4.06Å; Y103-L137 HydrophobicContact CD1-CG 4.44Å; Y103-L137 HydrophobicContact CD2-CD2 3.9Å; Y103-L137 HydrophobicContact CE1-CD1 4.46Å; Y103-L137 HydrophobicContact CE1-CD2 3.93Å; Y103-L137 HydrophobicContact CE1-CG 3.92Å; Y103-L137 HydrophobicContact CE2-CD2 3.77Å; Y103-L137 HydrophobicContact CE2-CG 4.33Å; Y103-L137 HydrophobicContact CG-CD2 4.06Å; L105-L137 HydrophobicContact CD1-CD2 4.12Å; M113-L137 HydrophobicContact CE-CB 4.16Å; M113-L137 HydrophobicContact CE-CD1 4.38Å; M113-L137 HydrophobicContact CE-CD2 4.09Å; M113-L137 HydrophobicContact CE-CG 4.44Å; A133-L137 VanDerWaalsContact O-CB 3.29Å; A133-L137 WeakPolarHBondContact O-CB 3.21Å; A133-L137 PolarHBondContact O-N 3.46Å; C134-L137 PolarHBondContact O-N 3.34Å; V135-L137 VanDerWaalsContact C-N 3.29Å; V135-L137 PolarHBondContact O-N 2.99Å; L137-T141 WeakPolarHBondContact O-CB 3.4Å; L137-T141 PolarHBondContact O-N 2.95Å; L137-T141 PolarHBondContact O-OG1 3.35Å
138Q94.5Very high95.1Very high92 Ų9242 Ų4243%0.4319%0.188SC..Hα-helixtrans-65.5-45.3179-172.8-1792100112.1C134 V135 C136 T141 N142C134-Q138 WeakPolarHBondContact O-CB 3.44Å; C134-Q138 PolarHBondContact O-N 2.82Å; V135-Q138 PolarHBondContact O-N 2.95Å; V135-Q138 VanDerWaalsContact O-N 3.12Å; C136-Q138 VanDerWaalsContact C-N 3.32Å; C136-Q138 PolarHBondContact O-N 3.49Å; Q138-T141 PolarHBondContact O-N 2.97Å; Q138-N142 WeakPolarHBondContact O-CB 3.43Å; Q138-N142 VanDerWaalsContact O-CG 3.23Å; Q138-N142 PolarHBondContact O-N 2.69Å; Q138-N142 PolarHBondContact O-ND2 3.4Å
139I93.2Very high94.8Very high40 Ų4049.4 Ų49.421%0.20523%0.226CC..Hα-helixtrans-58.7-51.6177-68.6168.5000109.6L46 V135 C136 T141 N142 C143 S168 I169L46-I139 HydrophobicContact CD1-CD1 4.35Å; V135-I139 HydrophobicContact CG1-CD1 3.86Å; V135-I139 HydrophobicContact CG1-CG1 4.32Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 3.39Å; C136-I139 PolarHBondContact O-N 2.92Å; I139-T141 VanDerWaalsContact C-N 3.33Å; I139-T141 PolarHBondContact O-N 2.93Å; I139-N142 WeakPolarHBondContact O-CB 3.46Å; I139-N142 PolarHBondContact O-N 2.95Å; I139-N142 VanDerWaalsContact O-N 3.16Å; I139-C143 PolarHBondContact O-N 3.15Å; I139-C143 PolarHBondContact O-SG 3.46Å; I139-S168 WeakPolarHBondContact CG2-OG 3.29Å; I139-I169 HydrophobicContact CG2-CG1 4.2Å
140L93.7Very high94.8Very high74 Ų7454.5 Ų54.539%0.38725%0.254SS..Hα-helixtrans-60-42177.5-82.3175.2000113.1C136 N142 C143 F144 I169C136-L140 WeakPolarHBondContact O-CB 3.43Å; C136-L140 PolarHBondContact O-N 2.82Å; L140-N142 VanDerWaalsContact C-N 3.3Å; L140-N142 PolarHBondContact O-N 3.3Å; L140-C143 PolarHBondContact O-N 3.07Å; L140-F144 WeakPolarHBondContact O-CB 3.46Å; L140-F144 PolarHBondContact O-N 2.86Å; L140-I169 HydrophobicContact CD1-CD1 3.4Å; L140-I169 VanDerWaalsContact CD1-CD1 3.4Å; L140-I169 HydrophobicContact CD2-CD1 3.45Å; L140-I169 VanDerWaalsContact CD2-CD1 3.45Å; L140-I169 HydrophobicContact CD2-CG1 4.16Å; L140-I169 HydrophobicContact CG-CD1 3.22Å; L140-I169 HydrophobicContact CG-CG1 3.95Å
141T95Very high94.5Very high23 Ų2365.2 Ų65.214%0.14129%0.294CS..Hα-helixtrans-63.2-40.3178.1-63.20000110.9Y103 L137 Q138 I139 F144 R145Y103-T141 HydrophobicContact CE1-CG2 3.93Å; Y103-T141 WeakPolarHBondContact CE1-OG1 3.18Å; L137-T141 WeakPolarHBondContact O-CB 3.4Å; L137-T141 PolarHBondContact O-N 2.95Å; L137-T141 PolarHBondContact O-OG1 3.35Å; Q138-T141 PolarHBondContact O-N 2.97Å; I139-T141 VanDerWaalsContact C-N 3.33Å; I139-T141 PolarHBondContact O-N 2.93Å; T141-F144 PolarHBondContact O-N 3.43Å; T141-R145 HydrophobicContact CG2-CG 4.34Å; T141-R145 WeakPolarHBondContact O-CB 3.43Å; T141-R145 VanDerWaalsContact O-CG 3.22Å; T141-R145 WeakPolarHBondContact O-CG 3.49Å; T141-R145 PolarHBondContact O-N 2.86Å
142N93.8Very high94.4Very high70 Ų7069.3 Ų69.337%0.37432%0.316SS..Hα-helixtrans-66.9-40.9176.5-72.5-21.5000111.7Q138 I139 L140 R146Q138-N142 WeakPolarHBondContact O-CB 3.43Å; Q138-N142 VanDerWaalsContact O-CG 3.23Å; Q138-N142 PolarHBondContact O-N 2.69Å; Q138-N142 PolarHBondContact O-ND2 3.4Å; I139-N142 WeakPolarHBondContact O-CB 3.46Å; I139-N142 PolarHBondContact O-N 2.95Å; I139-N142 VanDerWaalsContact O-N 3.16Å; L140-N142 VanDerWaalsContact C-N 3.3Å; L140-N142 PolarHBondContact O-N 3.3Å; N142-R146 WeakPolarHBondContact O-CG 3.03Å; N142-R146 PolarHBondContact O-N 2.87Å
143C93.2Very high94.4Very high13 Ų1369.4 Ų69.49%0.08833%0.33CS..Hα-helixtrans-60.5-50.7172.4-69.40000111I139 L140 R145 R146 Y147 S168I139-C143 PolarHBondContact O-N 3.15Å; I139-C143 PolarHBondContact O-SG 3.46Å; L140-C143 PolarHBondContact O-N 3.07Å; C143-R145 PolarHBondContact O-N 3.08Å; C143-R146 WeakPolarHBondContact O-CB 3.45Å; C143-R146 PolarHBondContact O-N 2.94Å; C143-Y147 VanDerWaalsContact O-CD2 3.29Å; C143-Y147 WeakPolarHBondContact O-CD2 3.15Å; C143-S168 PolarHBondContact SG-OG 2.85Å; C143-S168 VanDerWaalsContact SG-OG 3.4Å
144F94.6Very high94.4Very high70 Ų7078.4 Ų78.431%0.30737%0.365SS..Hα-helixtrans-57.1-46.7179.4-177.1-91.4000112.5L140 T141 R146 Y147 D148 G153 A155 F157L140-F144 WeakPolarHBondContact O-CB 3.46Å; L140-F144 PolarHBondContact O-N 2.86Å; T141-F144 PolarHBondContact O-N 3.43Å; F144-R146 PolarHBondContact O-N 3.41Å; F144-Y147 PolarHBondContact O-N 3.14Å; F144-D148 HydrophobicContact CD1-CB 4.04Å; F144-D148 HydrophobicContact CE1-CB 3.62Å; F144-D148 HydrophobicContact CZ-CB 4.25Å; F144-D148 PolarHBondContact O-N 2.83Å; F144-G153 WeakPolarHBondContact CZ-O 3.36Å; F144-A155 HydrophobicContact CD2-CB 4.13Å; F144-A155 HydrophobicContact CE2-CB 3.68Å; F144-A155 HydrophobicContact CZ-CB 3.92Å; F144-F157 HydrophobicContact CD2-CE2 4.4Å; F144-F157 HydrophobicContact CD2-CZ 4.27Å
145R94.3Very high94.3Very high152 Ų15279.4 Ų79.457%0.57437%0.374SS*.Hα-helixtrans-62.9-21.7-179.4-77.6175.9179.5173.32.4114.2T141 C143 Y147T141-R145 HydrophobicContact CG2-CG 4.34Å; T141-R145 WeakPolarHBondContact O-CB 3.43Å; T141-R145 VanDerWaalsContact O-CG 3.22Å; T141-R145 WeakPolarHBondContact O-CG 3.49Å; T141-R145 PolarHBondContact O-N 2.86Å; C143-R145 PolarHBondContact O-N 3.08Å; R145-Y147 PolarHBondContact O-N 3.26Å
146R93.2Very high94.2Very high183 Ų18387.6 Ų87.669%0.69141%0.412SS*.Hα-helixtrans-68.8-26.5174.1-69.9170.8-175.3-177.52112.1N142 C143 F144N142-R146 WeakPolarHBondContact O-CG 3.03Å; N142-R146 PolarHBondContact O-N 2.87Å; C143-R146 WeakPolarHBondContact O-CB 3.45Å; C143-R146 PolarHBondContact O-N 2.94Å; F144-R146 PolarHBondContact O-N 3.41Å
147Y94.5Very high94.2Very high69 Ų6990.1 Ų90.127%0.27142%0.422SS..Hα-helixtrans-106.7-19.2-177.4-61.2-86000113.2C143 F144 R145 L149 F157 E161C143-Y147 VanDerWaalsContact O-CD2 3.29Å; C143-Y147 WeakPolarHBondContact O-CD2 3.15Å; F144-Y147 PolarHBondContact O-N 3.14Å; R145-Y147 PolarHBondContact O-N 3.26Å; Y147-L149 PolarHBondContact O-N 3.4Å; Y147-F157 HydrophobicContact CD1-CD1 4.35Å; Y147-F157 HydrophobicContact CD1-CE1 4.46Å; Y147-F157 AromaticContact CD2-CD1 3.87Å; Y147-F157 HydrophobicContact CD2-CD1 3.87Å; Y147-F157 AromaticContact CD2-CE1 3.26Å; Y147-F157 HydrophobicContact CD2-CE1 3.26Å; Y147-F157 AromaticContact CD2-CZ 3.97Å; Y147-F157 HydrophobicContact CD2-CZ 3.97Å; Y147-F157 HydrophobicContact CE2-CD1 4.1Å; Y147-F157 AromaticContact CE2-CE1 3.73Å; Y147-F157 HydrophobicContact CE2-CE1 3.73Å; Y147-F157 HydrophobicContact CG-CD1 4Å; Y147-F157 AromaticContact CG-CE1 3.69Å; Y147-F157 HydrophobicContact CG-CE1 3.69Å; Y147-F157 HydrophobicContact CG-CZ 4.22Å; Y147-E161 HydrophobicContact CE1-CB 3.98Å; Y147-E161 HydrophobicContact CE1-CG 3.85Å
148D96.1Very high94.2Very high17 Ų1792 Ų929%0.09144%0.437CS..  trans-7966.2171.3-175.111.9000111.5F144 N150 R151 N152 G153 A155F144-D148 HydrophobicContact CD1-CB 4.04Å; F144-D148 HydrophobicContact CE1-CB 3.62Å; F144-D148 HydrophobicContact CZ-CB 4.25Å; F144-D148 PolarHBondContact O-N 2.83Å; D148-N150 VanDerWaalsContact C-N 3.29Å; D148-N150 PolarHBondContact O-N 2.79Å; D148-N150 PolarHBondContact OD1-OD1 2.94Å; D148-R151 PolarHBondContact O-N 3.01Å; D148-R151 VanDerWaalsContact O-N 3.12Å; D148-R151 WeakPolarHBondContact OD1-CA 3.07Å; D148-R151 PolarHBondContact OD1-N 2.8Å; D148-R151 WeakPolarHBondContact OD2-CA 3.26Å; D148-N152 PolarHBondContact OD1-N 3.42Å; D148-G153 PolarHBondContact OD1-N 3.16Å; D148-G153 WeakPolarHBondContact OD2-CA 3.41Å; D148-G153 PolarHBondContact OD2-N 3.07Å; D148-G153 VanDerWaalsContact OD2-N 3.07Å; D148-A155 HydrophobicContact CB-CB 4.28Å
149L93.1Very high94.3Very high155 Ų15595 Ų9581%0.81245%0.449SS*.THydrogen-bonded Turntrans-62.9-32.6-172.1-62.6179.7000113.5Y147Y147-L149 PolarHBondContact O-N 3.4Å
150N94.9Very high94.5Very high109 Ų109100.1 Ų100.158%0.58347%0.472SS*.THydrogen-bonded Turntrans-94.40.8179.264.46.3000113D148 N152D148-N150 VanDerWaalsContact C-N 3.29Å; D148-N150 PolarHBondContact O-N 2.79Å; D148-N150 PolarHBondContact OD1-OD1 2.94Å; N150-N152 PolarHBondContact ND2-ND2 3.02Å; N150-N152 PolarHBondContact O-N 2.98Å; N150-N152 WeakPolarHBondContact OD1-CB 3.38Å; N150-N152 PolarHBondContact OD1-N 2.72Å; N150-N152 PolarHBondContact OD1-ND2 3.42Å; N150-N152 PolarHBondContact OD1-OD1 2.76Å
151R92.5Very high94.5Very high225 Ų225100.1 Ų100.185%0.84947%0.47SS*.  trans55.235.9178.6-56.9-177.9179.4-1770.1112.9D148D148-R151 PolarHBondContact O-N 3.01Å; D148-R151 VanDerWaalsContact O-N 3.12Å; D148-R151 WeakPolarHBondContact OD1-CA 3.07Å; D148-R151 PolarHBondContact OD1-N 2.8Å; D148-R151 WeakPolarHBondContact OD2-CA 3.26Å
152N94.9Very high94.4Very high85 Ų85104.6 Ų104.646%0.45549%0.488SS..SBendtrans-94.90.3-179.277-1.8000112.8D148 N150 Y154D148-N152 PolarHBondContact OD1-N 3.42Å; N150-N152 PolarHBondContact ND2-ND2 3.02Å; N150-N152 PolarHBondContact O-N 2.98Å; N150-N152 WeakPolarHBondContact OD1-CB 3.38Å; N150-N152 PolarHBondContact OD1-N 2.72Å; N150-N152 PolarHBondContact OD1-ND2 3.42Å; N150-N152 PolarHBondContact OD1-OD1 2.76Å; N152-Y154 WeakPolarHBondContact O-CD2 3.37Å; N152-Y154 WeakPolarHBondContact OD1-CA 3.36Å; N152-Y154 WeakPolarHBondContact OD1-CB 3.42Å; N152-Y154 PolarHBondContact OD1-N 3.02Å; N152-Y154 PolarHBondContact OD1-O 3.2Å
153G94.3Very high94.4Very high45 Ų45104.8 Ų104.846%0.46449%0.488SS..SBendtrans83.110.4-177.900000114.1F144 D148F144-G153 WeakPolarHBondContact CZ-O 3.36Å; D148-G153 PolarHBondContact OD1-N 3.16Å; D148-G153 WeakPolarHBondContact OD2-CA 3.41Å; D148-G153 PolarHBondContact OD2-N 3.07Å; D148-G153 VanDerWaalsContact OD2-N 3.07Å
154Y95.6Very high94.4Very high188 Ų188108 Ų10874%0.73751%0.511SS*.  trans-127.1132.5173.7-61.5-92.9000109.7N152N152-Y154 WeakPolarHBondContact O-CD2 3.37Å; N152-Y154 WeakPolarHBondContact OD1-CA 3.36Å; N152-Y154 WeakPolarHBondContact OD1-CB 3.42Å; N152-Y154 PolarHBondContact OD1-N 3.02Å; N152-Y154 PolarHBondContact OD1-O 3.2Å
155A94.5Very high94.2Very high28 Ų28105.2 Ų105.223%0.23150%0.501CS..  trans-127.8141.617800000109.9F144 D148 F157F144-A155 HydrophobicContact CD2-CB 4.13Å; F144-A155 HydrophobicContact CE2-CB 3.68Å; F144-A155 HydrophobicContact CZ-CB 3.92Å; D148-A155 HydrophobicContact CB-CB 4.28Å; A155-F157 HydrophobicContact CB-CD2 4.28Å; A155-F157 HydrophobicContact CB-CE2 3.51Å; A155-F157 HydrophobicContact CB-CZ 3.97Å
156Q93.3Very high93.9Very high174 Ų17499.8 Ų99.881%0.81349%0.488SS*.  trans-98.7131.1172.8-175.3173.4-6.100108.9
157F93.6Very high93.7Very high62 Ų6296.7 Ų96.727%0.27248%0.483SS..  trans-122.7141.9177.8-61.8-99.5000109.2F144 Y147 A155 E161 F162F144-F157 HydrophobicContact CD2-CE2 4.4Å; F144-F157 HydrophobicContact CD2-CZ 4.27Å; Y147-F157 HydrophobicContact CD1-CD1 4.35Å; Y147-F157 HydrophobicContact CD1-CE1 4.46Å; Y147-F157 AromaticContact CD2-CD1 3.87Å; Y147-F157 HydrophobicContact CD2-CD1 3.87Å; Y147-F157 AromaticContact CD2-CE1 3.26Å; Y147-F157 HydrophobicContact CD2-CE1 3.26Å; Y147-F157 AromaticContact CD2-CZ 3.97Å; Y147-F157 HydrophobicContact CD2-CZ 3.97Å; Y147-F157 HydrophobicContact CE2-CD1 4.1Å; Y147-F157 AromaticContact CE2-CE1 3.73Å; Y147-F157 HydrophobicContact CE2-CE1 3.73Å; Y147-F157 HydrophobicContact CG-CD1 4Å; Y147-F157 AromaticContact CG-CE1 3.69Å; Y147-F157 HydrophobicContact CG-CE1 3.69Å; Y147-F157 HydrophobicContact CG-CZ 4.22Å; A155-F157 HydrophobicContact CB-CD2 4.28Å; A155-F157 HydrophobicContact CB-CE2 3.51Å; A155-F157 HydrophobicContact CB-CZ 3.97Å; F157-E161 HydrophobicContact CB-CB 4.38Å; F157-E161 HydrophobicContact CD1-CB 4.19Å; F157-F162 HydrophobicContact CB-CB 4.04Å; F157-F162 HydrophobicContact CG-CB 4.45Å
158S96.2Very high93.2Very high58 Ų5895.5 Ų95.541%0.40649%0.485SS..  trans-69.4164.1152.5770000110.1E160 E161 F162S158-E160 VanDerWaalsContact C-N 3.31Å; S158-E160 PolarHBondContact O-N 3Å; S158-E161 WeakPolarHBondContact CB-OE2 3.48Å; S158-E161 PolarHBondContact N-OE2 3.18Å; S158-E161 PolarHBondContact O-N 3.45Å; S158-E161 WeakPolarHBondContact OG-CB 3.43Å; S158-E161 VanDerWaalsContact OG-CD 3.31Å; S158-E161 WeakPolarHBondContact OG-CG 3.47Å; S158-E161 PolarHBondContact OG-N 2.99Å; S158-E161 PolarHBondContact OG-OE2 3.41Å; S158-E161 VanDerWaalsContact OG-OE2 3.1Å; S158-F162 PolarHBondContact O-N 3.16Å
159F96.1Very high92.2Very high154 Ų15496.7 Ų96.768%0.67549%0.49SS*.Hα-helixtrans-58.5-43.5179-179.5-114.4000112.2F162 L163F159-F162 PolarHBondContact O-N 3.48Å; F159-L163 HydrophobicContact CD1-CD1 4.03Å; F159-L163 HydrophobicContact CE1-CD1 3.45Å; F159-L163 VanDerWaalsContact CE1-CD1 3.45Å; F159-L163 HydrophobicContact CE1-CG 4.28Å; F159-L163 HydrophobicContact CE2-CD1 4.16Å; F159-L163 HydrophobicContact CE2-CD2 4.38Å; F159-L163 HydrophobicContact CE2-CG 4.2Å; F159-L163 HydrophobicContact CZ-CD1 3.53Å; F159-L163 HydrophobicContact CZ-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CG 4.08Å; F159-L163 WeakPolarHBondContact O-CG 3.49Å; F159-L163 PolarHBondContact O-N 2.89Å
160E96.6Very high91Very high149 Ų14995 Ų9570%0.69648%0.481SS*.Hα-helixtrans-70.3-34.2179.7-66.7-174178.100112.7S158 L163 S164S158-E160 VanDerWaalsContact C-N 3.31Å; S158-E160 PolarHBondContact O-N 3Å; E160-L163 PolarHBondContact O-N 3.09Å; E160-S164 VanDerWaalsContact O-CB 3.24Å; E160-S164 WeakPolarHBondContact O-CB 3.43Å; E160-S164 PolarHBondContact O-N 3.46Å; E160-S164 PolarHBondContact O-OG 3.05Å
161E94.4Very high89Confident73 Ų7395.9 Ų95.934%0.34149%0.485SS..Hα-helixtrans-67.4-39.1175.1-71.8167.3156.600111.7Y147 F157 S158 S165Y147-E161 HydrophobicContact CE1-CB 3.98Å; Y147-E161 HydrophobicContact CE1-CG 3.85Å; F157-E161 HydrophobicContact CB-CB 4.38Å; F157-E161 HydrophobicContact CD1-CB 4.19Å; S158-E161 WeakPolarHBondContact CB-OE2 3.48Å; S158-E161 PolarHBondContact N-OE2 3.18Å; S158-E161 PolarHBondContact O-N 3.45Å; S158-E161 WeakPolarHBondContact OG-CB 3.43Å; S158-E161 VanDerWaalsContact OG-CD 3.31Å; S158-E161 WeakPolarHBondContact OG-CG 3.47Å; S158-E161 PolarHBondContact OG-N 2.99Å; S158-E161 PolarHBondContact OG-OE2 3.41Å; S158-E161 VanDerWaalsContact OG-OE2 3.1Å; E161-S165 WeakPolarHBondContact O-CB 3.15Å; E161-S165 PolarHBondContact O-N 2.99Å; E161-S165 PolarHBondContact O-OG 3.02Å
162F93.4Very high88.8Confident117 Ų11789.5 Ų89.551%0.51347%0.466SS..Hα-helixtrans-63.1-50.2173.3173.4-101.1000111F157 S158 F159 S164 S165 A166F157-F162 HydrophobicContact CB-CB 4.04Å; F157-F162 HydrophobicContact CG-CB 4.45Å; S158-F162 PolarHBondContact O-N 3.16Å; F159-F162 PolarHBondContact O-N 3.48Å; F162-S164 PolarHBondContact O-N 2.78Å; F162-S165 PolarHBondContact O-N 3.01Å; F162-A166 PolarHBondContact O-N 3.43Å
163L94Very high88.5Confident74 Ų7489.7 Ų89.739%0.38747%0.467SS..Hα-helixtrans-61.2-44.8178.3-70.5-175.3000111.7F159 E160 S165 A166 M167F159-L163 HydrophobicContact CD1-CD1 4.03Å; F159-L163 HydrophobicContact CE1-CD1 3.45Å; F159-L163 VanDerWaalsContact CE1-CD1 3.45Å; F159-L163 HydrophobicContact CE1-CG 4.28Å; F159-L163 HydrophobicContact CE2-CD1 4.16Å; F159-L163 HydrophobicContact CE2-CD2 4.38Å; F159-L163 HydrophobicContact CE2-CG 4.2Å; F159-L163 HydrophobicContact CZ-CD1 3.53Å; F159-L163 HydrophobicContact CZ-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CG 4.08Å; F159-L163 WeakPolarHBondContact O-CG 3.49Å; F159-L163 PolarHBondContact O-N 2.89Å; E160-L163 PolarHBondContact O-N 3.09Å; L163-S165 VanDerWaalsContact C-N 3.28Å; L163-S165 PolarHBondContact O-N 3.15Å; L163-A166 PolarHBondContact O-N 2.87Å; L163-A166 VanDerWaalsContact O-N 3.16Å; L163-M167 WeakPolarHBondContact O-CB 3.41Å; L163-M167 WeakPolarHBondContact O-CG 3.1Å; L163-M167 PolarHBondContact O-N 3.39Å
164S92.4Very high88.2Confident80 Ų8092.2 Ų92.256%0.55947%0.467SS*.Hα-helixtrans-60.3-39.6177.4-60.20000111.8E160 F162 S168E160-S164 VanDerWaalsContact O-CB 3.24Å; E160-S164 WeakPolarHBondContact O-CB 3.43Å; E160-S164 PolarHBondContact O-N 3.46Å; E160-S164 PolarHBondContact O-OG 3.05Å; F162-S164 PolarHBondContact O-N 2.78Å; S164-S168 PolarHBondContact O-N 3.19Å
165S90.1Very high87.7Confident13 Ų1386.5 Ų86.59%0.09145%0.451CS..Hα-helixtrans-66.5-42.2175.5-60.90000111.9E161 F162 L163 S168E161-S165 WeakPolarHBondContact O-CB 3.15Å; E161-S165 PolarHBondContact O-N 2.99Å; E161-S165 PolarHBondContact O-OG 3.02Å; F162-S165 PolarHBondContact O-N 3.01Å; L163-S165 VanDerWaalsContact C-N 3.28Å; L163-S165 PolarHBondContact O-N 3.15Å; S165-S168 WeakPolarHBondContact O-CB 3.47Å; S165-S168 PolarHBondContact O-N 3.38Å; S165-S168 PolarHBondContact O-OG 3.41Å
166A88.6Confident87.3Confident38 Ų3890.2 Ų90.231%0.31447%0.465SS..Hα-helixtrans-66.9-40.2178.200000112.5F162 L163 S168 I169F162-A166 PolarHBondContact O-N 3.43Å; L163-A166 PolarHBondContact O-N 2.87Å; L163-A166 VanDerWaalsContact O-N 3.16Å; A166-S168 PolarHBondContact O-N 3.35Å; A166-I169 PolarHBondContact O-N 2.76Å
167M88.4Confident86.9Confident118 Ų11884.6 Ų84.658%0.58144%0.442SS*.Hα-helixtrans-64.9-21.6178.6-68.3-66.7-79.200112.6L163 I169 I170L163-M167 WeakPolarHBondContact O-CB 3.41Å; L163-M167 WeakPolarHBondContact O-CG 3.1Å; L163-M167 PolarHBondContact O-N 3.39Å; M167-I169 PolarHBondContact O-N 3.04Å; M167-I169 VanDerWaalsContact O-N 3.14Å; M167-I170 PolarHBondContact O-N 2.86Å; M167-I170 HydrophobicContact SD-CD1 3.82Å
168S83.5Confident86.4Confident44 Ų4486.2 Ų86.231%0.30845%0.454SS..THydrogen-bonded Turntrans-63.6-17.2178.273.10000115.1I139 C143 S164 S165 A166I139-S168 WeakPolarHBondContact CG2-OG 3.29Å; C143-S168 PolarHBondContact SG-OG 2.85Å; C143-S168 VanDerWaalsContact SG-OG 3.4Å; S164-S168 PolarHBondContact O-N 3.19Å; S165-S168 WeakPolarHBondContact O-CB 3.47Å; S165-S168 PolarHBondContact O-N 3.38Å; S165-S168 PolarHBondContact O-OG 3.41Å; A166-S168 PolarHBondContact O-N 3.35Å
169I76.4Confident85.7Confident41 Ų4188.4 Ų88.421%0.2146%0.458CS..THydrogen-bonded Turntrans-91.6-23173.9-53.2168.3000111.7C136 I139 L140 A166 M167 I171C136-I169 HydrophobicContact CB-CG2 4.41Å; I139-I169 HydrophobicContact CG2-CG1 4.2Å; L140-I169 HydrophobicContact CD1-CD1 3.4Å; L140-I169 VanDerWaalsContact CD1-CD1 3.4Å; L140-I169 HydrophobicContact CD2-CD1 3.45Å; L140-I169 VanDerWaalsContact CD2-CD1 3.45Å; L140-I169 HydrophobicContact CD2-CG1 4.16Å; L140-I169 HydrophobicContact CG-CD1 3.22Å; L140-I169 HydrophobicContact CG-CG1 3.95Å; A166-I169 PolarHBondContact O-N 2.76Å; M167-I169 PolarHBondContact O-N 3.04Å; M167-I169 VanDerWaalsContact O-N 3.14Å; I169-I171 VanDerWaalsContact C-N 3.25Å; I169-I171 PolarHBondContact O-N 3.24Å
170I66.4Low84.8Confident121 Ų12182.9 Ų82.962%0.62144%0.439SS*.  trans-82.983.5-179.3-54.7178.4000106.1M167M167-I170 PolarHBondContact O-N 2.86Å; M167-I170 HydrophobicContact SD-CD1 3.82Å
171I53.5Low83.7Confident127 Ų12776.9 Ų76.965%0.65142%0.416SS*.  trans-84.90169.3-42.5-177.1000108.2L46 S49 I169L46-I171 HydrophobicContact CD1-CD1 3.3Å; S49-I171 WeakPolarHBondContact OG-CD1 3.38Å; I169-I171 VanDerWaalsContact C-N 3.25Å; I169-I171 PolarHBondContact O-N 3.24Å

Retrieved 171 of 171 residues in 96.6 ms (Link to these results)

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