A0A3Q0KQL2_SCHMA Loading...

UPF0536 protein C12orf66-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KQL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 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
1M45.4Very low71.2Confident228 Ų22885.3 Ų85.3100%1.12350%0.499SS*.  0-10.10-73.8-156.6161.400114.4
2S47.3Very low72.9Confident102 Ų10280.7 Ų80.771%0.71347%0.468SS*.Hα-helixtrans-74.7-20.3178.248.50000115.8T5S2-T5 PolarHBondContact O-OG1 3.43Å; S2-T5 VanDerWaalsContact O-OG1 3.04Å
3G54.4Low74.4Confident41 Ų4183.1 Ų83.142%0.42347%0.472SS..Hα-helixtrans-76.6-28.7-176.500000115.4S6G3-S6 PolarHBondContact O-OG 3.37Å
4N58.9Low75.8Confident132 Ų13280.1 Ų80.171%0.70645%0.454SS*.Hα-helixtrans-77.8-29.6-177.9-75.4-0000112.4S8N4-S8 PolarHBondContact O-N 3.12Å
5T63.1Low77.1Confident97 Ų9774.7 Ų74.760%0.59542%0.424SS*.Hα-helixtrans-71.8-38.5178.137.70000112S2 Q9S2-T5 PolarHBondContact O-OG1 3.43Å; S2-T5 VanDerWaalsContact O-OG1 3.04Å; T5-Q9 WeakPolarHBondContact O-CB 3.45Å; T5-Q9 PolarHBondContact O-N 3.02Å; T5-Q9 VanDerWaalsContact O-N 3.07Å
6S78Confident78Confident77 Ų7772.6 Ų72.654%0.53841%0.41SS..Hα-helixtrans-65.9-39.6177.359.40000112.6G3 C10G3-S6 PolarHBondContact O-OG 3.37Å; S6-C10 WeakPolarHBondContact O-CB 3.44Å; S6-C10 PolarHBondContact O-N 3.41Å
7Q82.6Confident78.9Confident93 Ų9371.5 Ų71.544%0.43541%0.409SS..Hα-helixtrans-69.1-42.6178.2-170.6179.72.900112.1Q9 C10 I11Q7-Q9 PolarHBondContact O-N 3.41Å; Q7-C10 PolarHBondContact O-N 2.73Å; Q7-I11 HydrophobicContact CG-CD1 4.09Å; Q7-I11 WeakPolarHBondContact O-CG1 3.26Å; Q7-I11 PolarHBondContact O-N 2.99Å
8S83.4Confident79.8Confident23 Ų2367.5 Ų67.516%0.16139%0.386CS..Hα-helixtrans-62.7-41.7177.3-172.30000111.8N4 I11 K12 N107N4-S8 PolarHBondContact O-N 3.12Å; S8-I11 PolarHBondContact O-N 3.27Å; S8-K12 WeakPolarHBondContact O-CB 3.43Å; S8-K12 PolarHBondContact O-N 3.38Å; S8-N107 PolarHBondContact OG-OD1 2.81Å
9Q88.2Confident80.5Confident89 Ų8963.9 Ų63.942%0.41637%0.366SS..Hα-helixtrans-63.1-43.1175.5-174.862.918.900112.2T5 Q7 K12 E13T5-Q9 WeakPolarHBondContact O-CB 3.45Å; T5-Q9 PolarHBondContact O-N 3.02Å; T5-Q9 VanDerWaalsContact O-N 3.07Å; Q7-Q9 PolarHBondContact O-N 3.41Å; Q9-K12 WeakPolarHBondContact O-CB 3.5Å; Q9-K12 PolarHBondContact O-N 2.99Å; Q9-E13 PolarHBondContact NE2-OE1 3.44Å; Q9-E13 WeakPolarHBondContact O-CG 3.2Å; Q9-E13 PolarHBondContact O-N 3.44Å
10C90.9Very high81Confident54 Ų5466.4 Ų66.437%0.36537%0.368SS..Hα-helixtrans-60.8-47175.6179.80000112.1S6 Q7 K12 E13 L14S6-C10 WeakPolarHBondContact O-CB 3.44Å; S6-C10 PolarHBondContact O-N 3.41Å; Q7-C10 PolarHBondContact O-N 2.73Å; C10-K12 VanDerWaalsContact C-N 3.3Å; C10-K12 PolarHBondContact O-N 2.96Å; C10-E13 PolarHBondContact O-N 3.35Å; C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 2.99Å
11I91.5Very high81.3Confident2 Ų263.2 Ų63.21%0.0135%0.351CS..Hα-helixtrans-57.6-45.6176.2-71.1165.1000110.6Q7 S8 L14 L15 I37 P38 N107 L164Q7-I11 HydrophobicContact CG-CD1 4.09Å; Q7-I11 WeakPolarHBondContact O-CG1 3.26Å; Q7-I11 PolarHBondContact O-N 2.99Å; S8-I11 PolarHBondContact O-N 3.27Å; I11-L14 PolarHBondContact O-N 3.41Å; I11-L15 HydrophobicContact CG2-CD1 3.6Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 VanDerWaalsContact O-CB 3.32Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.27Å; I11-L15 PolarHBondContact O-N 3.05Å; I11-I37 HydrophobicContact CG2-CG2 4.43Å; I11-P38 HydrophobicContact CD1-CG 4.1Å; I11-P38 HydrophobicContact CG1-CG 3.5Å; I11-N107 HydrophobicContact CD1-CB 4.09Å; I11-L164 HydrophobicContact CG2-CD2 4.23Å
12K91.6Very high83.4Confident30 Ų3052.4 Ų52.413%0.1330%0.298CS..Hα-helixtrans-61-46.3-179.9-177.4-176.1-171.2156.20112.5S8 Q9 C10 D16 E163 L164 A167S8-K12 WeakPolarHBondContact O-CB 3.43Å; S8-K12 PolarHBondContact O-N 3.38Å; Q9-K12 WeakPolarHBondContact O-CB 3.5Å; Q9-K12 PolarHBondContact O-N 2.99Å; C10-K12 VanDerWaalsContact C-N 3.3Å; C10-K12 PolarHBondContact O-N 2.96Å; K12-D16 WeakPolarHBondContact O-CB 3.47Å; K12-D16 PolarHBondContact O-N 3.03Å; K12-E163 WeakPolarHBondContact CE-O 3.43Å; K12-E163 PolarHBondContact NZ-O 3.29Å; K12-E163 IonicContact NZ-OE2 3.62Å; K12-L164 HydrophobicContact CB-CD2 4.06Å; K12-A167 HydrophobicContact CG-CB 4.12Å; K12-A167 VanDerWaalsContact O-CB 3.31Å; K12-A167 WeakPolarHBondContact O-CB 3.37Å
13E92.6Very high85.2Confident112 Ų11249.4 Ų49.452%0.52327%0.274SS..Hα-helixtrans-66.2-42.9179.8-73.6173.6-172.200112.1Q9 C10 D16 S17Q9-E13 PolarHBondContact NE2-OE1 3.44Å; Q9-E13 WeakPolarHBondContact O-CG 3.2Å; Q9-E13 PolarHBondContact O-N 3.44Å; C10-E13 PolarHBondContact O-N 3.35Å; E13-D16 PolarHBondContact O-N 3.09Å; E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 2.57Å
14L94Very high86.6Confident41 Ų4150.9 Ų50.922%0.21528%0.277CS..Hα-helixtrans-67.5-40.8177.9-66.7173.1000111.9C10 I11 S17 F18 L33 S36 I37C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 2.99Å; I11-L14 PolarHBondContact O-N 3.41Å; L14-S17 PolarHBondContact O-N 3.15Å; L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.32Å; L14-L33 HydrophobicContact CD2-CD1 3.93Å; L14-S36 WeakPolarHBondContact CD1-O 3.48Å; L14-I37 HydrophobicContact CB-CG1 3.68Å; L14-I37 HydrophobicContact CD1-CG1 4.36Å
15L94.4Very high87.8Confident0 Ų046.5 Ų46.50%026%0.255CS..Hα-helixtrans-64.2-44.2173.9-76170.6000111.8I11 S17 F18 F19 I37 L56 F111 L164 A167 F168I11-L15 HydrophobicContact CG2-CD1 3.6Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 VanDerWaalsContact O-CB 3.32Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.27Å; I11-L15 PolarHBondContact O-N 3.05Å; L15-S17 VanDerWaalsContact C-N 3.33Å; L15-S17 PolarHBondContact O-N 3.06Å; L15-F18 WeakPolarHBondContact O-CB 3.35Å; L15-F18 PolarHBondContact O-N 3.19Å; L15-F19 HydrophobicContact CD2-CE2 4.05Å; L15-F19 WeakPolarHBondContact O-CD2 3.26Å; L15-F19 PolarHBondContact O-N 3.05Å; L15-I37 HydrophobicContact CD2-CD1 3.8Å; L15-I37 HydrophobicContact CD2-CG2 4.47Å; L15-I37 HydrophobicContact CG-CD1 4.26Å; L15-I37 HydrophobicContact CG-CG2 4.38Å; L15-L56 HydrophobicContact CD2-CD2 4.01Å; L15-F111 HydrophobicContact CD1-CD2 4.3Å; L15-F111 HydrophobicContact CD2-CD2 4.12Å; L15-F111 HydrophobicContact CD2-CE2 3.96Å; L15-L164 HydrophobicContact CD1-CD1 4.44Å; L15-A167 HydrophobicContact CB-CB 3.73Å; L15-F168 HydrophobicContact CD1-CE2 4.43Å; L15-F168 HydrophobicContact CD1-CZ 4.11Å
16D92.7Very high89.1Confident40 Ų4049.1 Ų49.121%0.21426%0.258CS..Hα-helixtrans-59.6-45.4176.2-176.659.7000110.9K12 E13 F18 F19 R20 A167K12-D16 WeakPolarHBondContact O-CB 3.47Å; K12-D16 PolarHBondContact O-N 3.03Å; E13-D16 PolarHBondContact O-N 3.09Å; D16-F18 VanDerWaalsContact C-N 3.33Å; D16-F18 PolarHBondContact O-N 2.99Å; D16-F19 PolarHBondContact O-N 3.08Å; D16-R20 WeakPolarHBondContact O-CB 3.33Å; D16-R20 VanDerWaalsContact O-CG 3.24Å; D16-R20 WeakPolarHBondContact O-CG 3.37Å; D16-R20 PolarHBondContact O-N 3.05Å; D16-R20 IonicContact OD1-CZ 3Å; D16-R20 IonicContact OD1-NE 3.31Å; D16-R20 PolarHBondContact OD1-NE 3.27Å; D16-R20 IonicContact OD1-NH2 2.92Å; D16-R20 PolarHBondContact OD1-NH2 3.24Å; D16-R20 IonicContact OD2-CZ 3.81Å; D16-R20 IonicContact OD2-NE 3.86Å; D16-R20 PolarHBondContact OD2-NE 3.33Å; D16-R20 IonicContact OD2-NH2 3.65Å; D16-A167 HydrophobicContact CB-CB 4.26Å
17S92.6Very high89.7Confident54 Ų5448.2 Ų48.238%0.37825%0.247SC..Hα-helixtrans-59.7-43.4175.3-1720000111.9E13 L14 L15 G21E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 2.57Å; L14-S17 PolarHBondContact O-N 3.15Å; L15-S17 VanDerWaalsContact C-N 3.33Å; L15-S17 PolarHBondContact O-N 3.06Å; S17-G21 PolarHBondContact O-N 3.43Å
18F94.4Very high90.1Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-59.8-55.3178.3-178.2-88.5000111.3L14 L15 D16 R20 G21 I22 Q30 L33 I37 L56 C60L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.32Å; L15-F18 WeakPolarHBondContact O-CB 3.35Å; L15-F18 PolarHBondContact O-N 3.19Å; D16-F18 VanDerWaalsContact C-N 3.33Å; D16-F18 PolarHBondContact O-N 2.99Å; F18-R20 PolarHBondContact O-N 3.31Å; F18-G21 CarbonylContact O-C 3.6Å; F18-G21 PolarHBondContact O-N 3.34Å; F18-G21 VanDerWaalsContact O-N 3.15Å; F18-I22 HydrophobicContact CE1-CD1 4.36Å; F18-I22 PolarHBondContact O-N 3.41Å; F18-Q30 HydrophobicContact CE2-CB 4.35Å; F18-Q30 PolarHBondContact O-NE2 3.45Å; F18-L33 HydrophobicContact CB-CD2 3.96Å; F18-L33 HydrophobicContact CB-CG 4.24Å; F18-L33 HydrophobicContact CD2-CB 4.47Å; F18-L33 HydrophobicContact CD2-CD2 4.35Å; F18-L33 HydrophobicContact CD2-CG 4.27Å; F18-I37 HydrophobicContact CB-CD1 4.48Å; F18-L56 HydrophobicContact CD1-CD1 3.85Å; F18-L56 HydrophobicContact CD1-CD2 4.01Å; F18-L56 HydrophobicContact CD1-CG 3.94Å; F18-L56 HydrophobicContact CD2-CD2 4.19Å; F18-L56 HydrophobicContact CD2-CG 4.46Å; F18-L56 HydrophobicContact CE1-CD1 3.46Å; F18-L56 VanDerWaalsContact CE1-CD1 3.46Å; F18-L56 HydrophobicContact CE1-CD2 4.05Å; F18-L56 HydrophobicContact CE1-CG 3.48Å; F18-L56 VanDerWaalsContact CE1-CG 3.48Å; F18-L56 HydrophobicContact CE2-CD2 4.23Å; F18-L56 HydrophobicContact CE2-CG 4.07Å; F18-L56 HydrophobicContact CG-CD2 4.09Å; F18-L56 HydrophobicContact CG-CG 4.41Å; F18-L56 HydrophobicContact CZ-CD1 4.05Å; F18-L56 HydrophobicContact CZ-CD2 4.15Å; F18-L56 HydrophobicContact CZ-CG 3.55Å; F18-L56 WeakPolarHBondContact CZ-O 3.37Å; F18-C60 HydrophobicContact CE1-CB 4.12Å; F18-C60 HydrophobicContact CE2-CB 4.47Å; F18-C60 HydrophobicContact CZ-CB 3.54Å
19F93.3Very high90.5Very high0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-67.5-38.1-177.2-73-66.2000112.9L15 D16 G21 I22 L56 F59 M115 F168 H170 I171L15-F19 HydrophobicContact CD2-CE2 4.05Å; L15-F19 WeakPolarHBondContact O-CD2 3.26Å; L15-F19 PolarHBondContact O-N 3.05Å; D16-F19 PolarHBondContact O-N 3.08Å; F19-G21 PolarHBondContact O-N 3.41Å; F19-I22 HydrophobicContact CD1-CD1 4.05Å; F19-I22 HydrophobicContact CE1-CD1 4.37Å; F19-I22 WeakPolarHBondContact O-CB 3.31Å; F19-I22 WeakPolarHBondContact O-CG2 3.4Å; F19-I22 PolarHBondContact O-N 3.48Å; F19-L56 HydrophobicContact CE1-CD1 4.26Å; F19-L56 HydrophobicContact CE2-CD1 4.37Å; F19-L56 HydrophobicContact CZ-CD1 3.7Å; F19-F59 HydrophobicContact CE1-CD1 4.25Å; F19-F59 AromaticContact CE1-CE1 3.97Å; F19-F59 HydrophobicContact CE1-CE1 3.97Å; F19-M115 HydrophobicContact CZ-SD 4.23Å; F19-F168 AromaticContact CD2-CD1 3.86Å; F19-F168 HydrophobicContact CD2-CD1 3.86Å; F19-F168 HydrophobicContact CD2-CE1 4.26Å; F19-F168 AromaticContact CE2-CD1 3.23Å; F19-F168 HydrophobicContact CE2-CD1 3.23Å; F19-F168 AromaticContact CE2-CE1 3.25Å; F19-F168 HydrophobicContact CE2-CE1 3.25Å; F19-F168 HydrophobicContact CE2-CG 4.39Å; F19-F168 HydrophobicContact CE2-CZ 4.38Å; F19-F168 AromaticContact CZ-CD1 3.67Å; F19-F168 HydrophobicContact CZ-CD1 3.67Å; F19-F168 AromaticContact CZ-CE1 3.6Å; F19-F168 HydrophobicContact CZ-CE1 3.6Å; F19-H170 PolarHBondContact O-ND1 3.47Å; F19-I171 HydrophobicContact CB-CG2 4.44Å; F19-I171 HydrophobicContact CD1-CB 3.79Å; F19-I171 HydrophobicContact CD1-CG1 4.33Å; F19-I171 HydrophobicContact CD1-CG2 3.57Å; F19-I171 HydrophobicContact CD2-CG2 4.46Å; F19-I171 HydrophobicContact CE1-CB 4.35Å; F19-I171 HydrophobicContact CE1-CG2 3.89Å; F19-I171 HydrophobicContact CG-CB 4.34Å; F19-I171 HydrophobicContact CG-CG2 3.9Å; F19-I171 HydrophobicContact CZ-CG2 4.48Å
20R90.1Very high90.7Very high112 Ų11248.3 Ų48.342%0.42325%0.252SS..Hα-helixtrans-62.5-32173.3-73.2177.9-172.7-85.7-7.1112.9D16 F18 H170D16-R20 WeakPolarHBondContact O-CB 3.33Å; D16-R20 VanDerWaalsContact O-CG 3.24Å; D16-R20 WeakPolarHBondContact O-CG 3.37Å; D16-R20 PolarHBondContact O-N 3.05Å; D16-R20 IonicContact OD1-CZ 3Å; D16-R20 IonicContact OD1-NE 3.31Å; D16-R20 PolarHBondContact OD1-NE 3.27Å; D16-R20 IonicContact OD1-NH2 2.92Å; D16-R20 PolarHBondContact OD1-NH2 3.24Å; D16-R20 IonicContact OD2-CZ 3.81Å; D16-R20 IonicContact OD2-NE 3.86Å; D16-R20 PolarHBondContact OD2-NE 3.33Å; D16-R20 IonicContact OD2-NH2 3.65Å; F18-R20 PolarHBondContact O-N 3.31Å; R20-H170 HydrophobicContact CG-CB 4.35Å
21G88.2Confident90.9Very high0 Ų050.6 Ų50.60%026%0.255CS..THydrogen-bonded Turntrans-91.5-1.1179.800000114.4S17 F18 F19 L23 S24 T25 Q30S17-G21 PolarHBondContact O-N 3.43Å; F18-G21 CarbonylContact O-C 3.6Å; F18-G21 PolarHBondContact O-N 3.34Å; F18-G21 VanDerWaalsContact O-N 3.15Å; F19-G21 PolarHBondContact O-N 3.41Å; G21-L23 PolarHBondContact O-N 3.41Å; G21-S24 PolarHBondContact O-N 2.84Å; G21-T25 WeakPolarHBondContact CA-OG1 3.36Å; G21-T25 WeakPolarHBondContact O-CB 3.44Å; G21-T25 PolarHBondContact O-N 2.69Å; G21-T25 PolarHBondContact O-OG1 3.07Å; G21-Q30 VanDerWaalsContact CA-NE2 3.31Å; G21-Q30 PolarHBondContact O-NE2 3.3Å
22I89.2Confident91.1Very high2 Ų255.1 Ų55.11%0.0128%0.283CS..THydrogen-bonded Turntrans-56.7-30-165.1-162.5168.5000112.7F18 F19 F59 C60 E63 R64F18-I22 HydrophobicContact CE1-CD1 4.36Å; F18-I22 PolarHBondContact O-N 3.41Å; F19-I22 HydrophobicContact CD1-CD1 4.05Å; F19-I22 HydrophobicContact CE1-CD1 4.37Å; F19-I22 WeakPolarHBondContact O-CB 3.31Å; F19-I22 WeakPolarHBondContact O-CG2 3.4Å; F19-I22 PolarHBondContact O-N 3.48Å; I22-F59 HydrophobicContact CD1-CD1 4.04Å; I22-F59 HydrophobicContact CD1-CE1 3.9Å; I22-C60 HydrophobicContact CD1-CB 4.28Å; I22-C60 HydrophobicContact CG1-CB 3.9Å; I22-E63 HydrophobicContact CD1-CB 4.07Å; I22-E63 HydrophobicContact CD1-CG 3.99Å; I22-E63 HydrophobicContact CG1-CG 4.47Å; I22-R64 VanDerWaalsContact O-CZ 3.24Å; I22-R64 PolarHBondContact O-NE 2.9Å; I22-R64 PolarHBondContact O-NH2 3.3Å
23L85.3Confident91.2Very high39 Ų3955.2 Ų55.220%0.20429%0.285CS..THydrogen-bonded Turntrans-106.7-33.9179.4-50.6-178.3000114.5G21 E63 R64 L67 L218 L230G21-L23 PolarHBondContact O-N 3.41Å; L23-E63 HydrophobicContact CD2-CG 4.28Å; L23-R64 HydrophobicContact CD2-CG 4.16Å; L23-L67 HydrophobicContact CD1-CD1 3.26Å; L23-L67 HydrophobicContact CD2-CD1 3.34Å; L23-L67 HydrophobicContact CG-CD1 3.9Å; L23-L218 HydrophobicContact CD1-CD2 3.74Å; L23-L230 HydrophobicContact CD1-CD1 3.94Å
24S83.1Confident91.2Very high71 Ų7149.9 Ų49.950%0.49726%0.26SS..THydrogen-bonded Turntrans-85.8-28.5-171.660.30000113.4G21G21-S24 PolarHBondContact O-N 2.84Å
25T84.9Confident91.3Very high41 Ų4152.3 Ų52.325%0.25227%0.273SS..SBendtrans-85.9154.3-173.8-56.70000110.3G21 D29 Q30 R64G21-T25 WeakPolarHBondContact CA-OG1 3.36Å; G21-T25 WeakPolarHBondContact O-CB 3.44Å; G21-T25 PolarHBondContact O-N 2.69Å; G21-T25 PolarHBondContact O-OG1 3.07Å; T25-D29 HydrophobicContact CG2-CB 3.46Å; T25-D29 VanDerWaalsContact CG2-CB 3.46Å; T25-Q30 HydrophobicContact CG2-CG 4.03Å; T25-R64 VanDerWaalsContact O-CZ 3.29Å; T25-R64 PolarHBondContact O-NH1 2.87Å; T25-R64 PolarHBondContact O-NH2 3.47Å
26K90.2Very high91.2Very high151 Ų15155.5 Ų55.566%0.65730%0.296SS*.  trans-64.6152.2174.5-64.2178.5-179.91760110.3D28 D29 Q30K26-D28 VanDerWaalsContact C-N 3.27Å; K26-D28 PolarHBondContact O-N 3.46Å; K26-D29 PolarHBondContact O-N 3.18Å; K26-Q30 PolarHBondContact O-N 3.29Å; K26-Q30 VanDerWaalsContact O-N 3.09Å
27L89.9Confident91.3Very high59 Ų5953.7 Ų53.731%0.30929%0.286SS..Hα-helixtrans-60.7-38.9-179.9-84.5174.5000111.8Q30 K31 Y57 R61L27-Q30 WeakPolarHBondContact O-CB 3.42Å; L27-Q30 PolarHBondContact O-N 2.8Å; L27-K31 PolarHBondContact O-N 2.9Å; L27-Y57 HydrophobicContact CD2-CE2 4.42Å; L27-R61 HydrophobicContact CD2-CG 3.97Å
28D91.5Very high91.3Very high117 Ų11753.5 Ų53.563%0.62628%0.283SS*.Hα-helixtrans-63.3-44.5179.7-60.7-38.2000111.8K26 Q30 K31 V32K26-D28 VanDerWaalsContact C-N 3.27Å; K26-D28 PolarHBondContact O-N 3.46Å; D28-Q30 VanDerWaalsContact C-N 3.31Å; D28-Q30 PolarHBondContact O-N 3.18Å; D28-K31 WeakPolarHBondContact O-CB 3.28Å; D28-K31 PolarHBondContact O-N 3.3Å; D28-K31 VanDerWaalsContact O-N 3.12Å; D28-V32 PolarHBondContact O-N 2.87Å
29D92.9Very high91.1Very high88 Ų8853.9 Ų53.947%0.47129%0.285SS..Hα-helixtrans-63.1-38.5176.1-59.6-24.6000111.4T25 K26 K31 V32 L33T25-D29 HydrophobicContact CG2-CB 3.46Å; T25-D29 VanDerWaalsContact CG2-CB 3.46Å; K26-D29 PolarHBondContact O-N 3.18Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 2.63Å; D29-V32 PolarHBondContact O-N 3.17Å; D29-L33 WeakPolarHBondContact O-CB 3.5Å; D29-L33 PolarHBondContact O-N 3.34Å
30Q92.6Very high90.9Very high1 Ų160.7 Ų60.71%0.00532%0.32CS..Hα-helixtrans-65.5-34.2174.5-76.2-62.6-17.700112.6F18 G21 T25 K26 L27 D28 L33 S34F18-Q30 HydrophobicContact CE2-CB 4.35Å; F18-Q30 PolarHBondContact O-NE2 3.45Å; G21-Q30 VanDerWaalsContact CA-NE2 3.31Å; G21-Q30 PolarHBondContact O-NE2 3.3Å; T25-Q30 HydrophobicContact CG2-CG 4.03Å; K26-Q30 PolarHBondContact O-N 3.29Å; K26-Q30 VanDerWaalsContact O-N 3.09Å; L27-Q30 WeakPolarHBondContact O-CB 3.42Å; L27-Q30 PolarHBondContact O-N 2.8Å; D28-Q30 VanDerWaalsContact C-N 3.31Å; D28-Q30 PolarHBondContact O-N 3.18Å; Q30-L33 PolarHBondContact O-N 3.22Å; Q30-S34 PolarHBondContact O-N 3.12Å; Q30-S34 PolarHBondContact O-OG 3.18Å
31K94.4Very high90.9Very high102 Ų10255.9 Ų55.944%0.44331%0.305SS..Hα-helixtrans-66.1-41.3174.2-168.6-179.4177-176.40111.8L27 D28 D29 L33 S34 N35 Y57L27-K31 PolarHBondContact O-N 2.9Å; D28-K31 WeakPolarHBondContact O-CB 3.28Å; D28-K31 PolarHBondContact O-N 3.3Å; D28-K31 VanDerWaalsContact O-N 3.12Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 2.63Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-S34 WeakPolarHBondContact CA-OG 3.21Å; K31-S34 PolarHBondContact O-OG 3.31Å; K31-N35 WeakPolarHBondContact O-CB 3.19Å; K31-N35 PolarHBondContact O-N 3.03Å; K31-N35 VanDerWaalsContact O-N 3.14Å; K31-N35 PolarHBondContact O-ND2 3.09Å; K31-Y57 HydrophobicContact CB-CD2 3.73Å; K31-Y57 HydrophobicContact CB-CE2 3.56Å; K31-Y57 HydrophobicContact CB-CG 4.43Å; K31-Y57 HydrophobicContact CD-CE1 4.3Å; K31-Y57 HydrophobicContact CD-CE2 4.44Å; K31-Y57 HydrophobicContact CG-CD1 4.44Å; K31-Y57 HydrophobicContact CG-CD2 4.04Å; K31-Y57 HydrophobicContact CG-CE1 4.42Å; K31-Y57 HydrophobicContact CG-CE2 4.04Å; K31-Y57 HydrophobicContact CG-CG 4.25Å
32V94.4Very high91.1Very high97 Ų9762.6 Ų62.659%0.58833%0.334SS*.Hα-helixtrans-63.3-44.7175.2174.90000110.3D28 D29 N35 S36D28-V32 PolarHBondContact O-N 2.87Å; D29-V32 PolarHBondContact O-N 3.17Å; V32-N35 PolarHBondContact O-N 2.89Å; V32-S36 PolarHBondContact O-N 2.82Å; V32-S36 PolarHBondContact O-OG 2.75Å
33L93.6Very high91.4Very high32 Ų3262.7 Ų62.717%0.16834%0.335CS..Hα-helixtrans-64.6-44.1179-175.656.4000112.1L14 F18 D29 Q30 K31 N35 S36L14-L33 HydrophobicContact CD2-CD1 3.93Å; F18-L33 HydrophobicContact CB-CD2 3.96Å; F18-L33 HydrophobicContact CB-CG 4.24Å; F18-L33 HydrophobicContact CD2-CB 4.47Å; F18-L33 HydrophobicContact CD2-CD2 4.35Å; F18-L33 HydrophobicContact CD2-CG 4.27Å; D29-L33 WeakPolarHBondContact O-CB 3.5Å; D29-L33 PolarHBondContact O-N 3.34Å; Q30-L33 PolarHBondContact O-N 3.22Å; K31-L33 VanDerWaalsContact C-N 3.34Å; L33-N35 VanDerWaalsContact C-N 3.27Å; L33-N35 PolarHBondContact O-N 2.84Å; L33-S36 WeakPolarHBondContact O-CB 3.29Å; L33-S36 PolarHBondContact O-N 2.83Å; L33-S36 VanDerWaalsContact O-N 3.1Å
34S94.6Very high91.7Very high0 Ų064.3 Ų64.30%035%0.346CS..Hα-helixtrans-60-39.1176.260.70000112.1Q30 K31 S36 I37 N53Q30-S34 PolarHBondContact O-N 3.12Å; Q30-S34 PolarHBondContact O-OG 3.18Å; K31-S34 WeakPolarHBondContact CA-OG 3.21Å; K31-S34 PolarHBondContact O-OG 3.31Å; S34-S36 PolarHBondContact O-N 3.27Å; S34-I37 PolarHBondContact O-N 2.99Å; S34-N53 WeakPolarHBondContact O-CB 2.91Å; S34-N53 PolarHBondContact O-ND2 3.35Å; S34-N53 PolarHBondContact O-OD1 2.95Å
35N94.5Very high92.2Very high92 Ų9262.3 Ų62.349%0.49233%0.329SS..Hα-helixtrans-70.7-18.9179.1-71.4-12000113.6K31 V32 L33K31-N35 WeakPolarHBondContact O-CB 3.19Å; K31-N35 PolarHBondContact O-N 3.03Å; K31-N35 VanDerWaalsContact O-N 3.14Å; K31-N35 PolarHBondContact O-ND2 3.09Å; V32-N35 PolarHBondContact O-N 2.89Å; L33-N35 VanDerWaalsContact C-N 3.27Å; L33-N35 PolarHBondContact O-N 2.84Å
36S93.8Very high92.3Very high68 Ų6862.4 Ų62.448%0.47634%0.338SS..Hα-helixtrans-83.9-12.8179.8-57.50000112.9L14 V32 L33 S34 P38L14-S36 WeakPolarHBondContact CD1-O 3.48Å; V32-S36 PolarHBondContact O-N 2.82Å; V32-S36 PolarHBondContact O-OG 2.75Å; L33-S36 WeakPolarHBondContact O-CB 3.29Å; L33-S36 PolarHBondContact O-N 2.83Å; L33-S36 VanDerWaalsContact O-N 3.1Å; S34-S36 PolarHBondContact O-N 3.27Å; S36-P38 WeakPolarHBondContact O-CD 3.47Å
37I93.5Very high92.1Very high2 Ų263.6 Ų63.61%0.0135%0.352CS..SBendtrans-77.8124-179.9-61164.1000108.6I11 L14 L15 F18 S34 L39 N53 L56I11-I37 HydrophobicContact CG2-CG2 4.43Å; L14-I37 HydrophobicContact CB-CG1 3.68Å; L14-I37 HydrophobicContact CD1-CG1 4.36Å; L15-I37 HydrophobicContact CD2-CD1 3.8Å; L15-I37 HydrophobicContact CD2-CG2 4.47Å; L15-I37 HydrophobicContact CG-CD1 4.26Å; L15-I37 HydrophobicContact CG-CG2 4.38Å; F18-I37 HydrophobicContact CB-CD1 4.48Å; S34-I37 PolarHBondContact O-N 2.99Å; I37-L39 HydrophobicContact CG2-CB 4.49Å; I37-L39 HydrophobicContact CG2-CD1 3.69Å; I37-L39 HydrophobicContact CG2-CG 3.77Å; I37-L39 PolarHBondContact O-N 2.97Å; I37-N53 PolarHBondContact O-ND2 2.99Å; I37-N53 PolarHBondContact O-OD1 2.95Å; I37-L56 HydrophobicContact CD1-CD2 3.38Å
38P92.2Very high92.2Very high50 Ų5064.2 Ų64.233%0.32536%0.361SS..  trans-81.761.2-175.233.6-35.6000111.8I11 S36I11-P38 HydrophobicContact CD1-CG 4.1Å; I11-P38 HydrophobicContact CG1-CG 3.5Å; S36-P38 WeakPolarHBondContact O-CD 3.47Å
39L90.6Very high92.3Very high7 Ų766.9 Ų66.94%0.03737%0.367CS..  trans-104.9126.1169.3-68.9167.8000108.8I37 Y52 E108 F111I37-L39 HydrophobicContact CG2-CB 4.49Å; I37-L39 HydrophobicContact CG2-CD1 3.69Å; I37-L39 HydrophobicContact CG2-CG 3.77Å; I37-L39 PolarHBondContact O-N 2.97Å; L39-Y52 HydrophobicContact CB-CD2 4.13Å; L39-E108 HydrophobicContact CD2-CG 3.64Å; L39-F111 HydrophobicContact CD1-CD1 4.06Å; L39-F111 HydrophobicContact CD1-CD2 3.58Å; L39-F111 HydrophobicContact CD1-CE1 4.11Å; L39-F111 HydrophobicContact CD1-CE2 3.69Å; L39-F111 HydrophobicContact CD1-CG 3.8Å; L39-F111 HydrophobicContact CD1-CZ 3.95Å
40I89.6Confident92.3Very high144 Ų14464 Ų6474%0.73835%0.351SS*.  trans-108-10.1-173.259.1171000113.2E108I40-E108 VanDerWaalsContact CG1-OE1 3.26Å; I40-E108 WeakPolarHBondContact CG1-OE1 3.25Å; I40-E108 PolarHBondContact N-OE1 2.72Å
41G90.1Very high92.5Very high10 Ų1066 Ų6610%0.10336%0.363CS..  trans-53.1151176.400000114.1T51 Y52 E108G41-T51 CarbonylContact O-C 3.56Å; G41-T51 WeakPolarHBondContact O-CA 3.29Å; G41-Y52 VanDerWaalsContact C-CD1 3.41Å; G41-Y52 VanDerWaalsContact O-CD1 3.28Å; G41-Y52 WeakPolarHBondContact O-CD1 3.27Å; G41-Y52 PolarHBondContact O-N 3.48Å; G41-E108 PolarHBondContact N-OE1 2.92Å
42K93.1Very high92.5Very high141 Ų14161.1 Ų61.161%0.61334%0.342SS*.EExtended strand (participates in β ladder)trans-128.7146.5175.5-63-178.3-178.6-179.90109.4L50 T51 V98K42-L50 CarbonylContact C-O 3.59Å; K42-L50 VanDerWaalsContact CA-O 3.22Å; K42-L50 WeakPolarHBondContact CA-O 3.49Å; K42-T51 HydrophobicContact CG-CG2 4.33Å; K42-V98 WeakPolarHBondContact O-CG1 3.21Å
43L94.3Very high92.5Very high4 Ų457.5 Ų57.52%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-133.3164.6177.260.981.5000111F45 K49 L50 Y52 A55 F95 V98L43-F45 HydrophobicContact CD1-CB 4.16Å; L43-K49 WeakPolarHBondContact O-CA 3.28Å; L43-L50 HydrophobicContact CD1-CB 4.06Å; L43-L50 PolarHBondContact N-O 3.47Å; L43-L50 PolarHBondContact O-N 3.35Å; L43-Y52 HydrophobicContact CB-CE1 4.4Å; L43-Y52 HydrophobicContact CD2-CD1 4.17Å; L43-Y52 HydrophobicContact CD2-CE1 4.21Å; L43-A55 HydrophobicContact CD1-CB 4.5Å; L43-A55 HydrophobicContact CD2-CB 3.86Å; L43-A55 HydrophobicContact CG-CB 4.42Å; L43-F95 HydrophobicContact CD2-CD1 3.61Å; L43-F95 HydrophobicContact CD2-CD2 4.06Å; L43-F95 HydrophobicContact CD2-CE1 3.37Å; L43-F95 HydrophobicContact CD2-CE2 3.83Å; L43-F95 HydrophobicContact CD2-CG 3.94Å; L43-F95 HydrophobicContact CD2-CZ 3.48Å; L43-F95 VanDerWaalsContact CD2-CZ 3.48Å; L43-V98 HydrophobicContact CB-CG1 4.2Å
44V92.9Very high92.6Very high73 Ų7360.3 Ų60.344%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-89.3134.9172.7-179.50000109.3G46 G94V44-G46 WeakPolarHBondContact CG1-O 3.13Å; V44-G94 WeakPolarHBondContact O-CA 3.41Å
45F92.1Very high92.7Very high29 Ų2960.3 Ų60.313%0.12733%0.332CS..EExtended strand (participates in β ladder)trans-134.4108.2174.1174.9-93.7000108.8L43 D47 S48 L50 L58 S87 S90 L91L43-F45 HydrophobicContact CD1-CB 4.16Å; F45-D47 PolarHBondContact O-N 2.79Å; F45-S48 PolarHBondContact N-O 2.57Å; F45-S48 PolarHBondContact O-N 2.97Å; F45-L50 HydrophobicContact CB-CD1 3.48Å; F45-L50 VanDerWaalsContact CB-CD1 3.48Å; F45-L50 HydrophobicContact CB-CG 3.82Å; F45-L50 HydrophobicContact CD1-CD1 4.03Å; F45-L50 HydrophobicContact CD2-CD1 4.27Å; F45-L50 HydrophobicContact CG-CD1 3.66Å; F45-L50 HydrophobicContact CG-CG 4.43Å; F45-L58 HydrophobicContact CD1-CD2 4.45Å; F45-L58 HydrophobicContact CD2-CD2 4.04Å; F45-L58 HydrophobicContact CE1-CD2 4.09Å; F45-L58 HydrophobicContact CE2-CD2 3.62Å; F45-L58 HydrophobicContact CG-CD2 4.44Å; F45-L58 HydrophobicContact CZ-CD2 3.66Å; F45-S87 WeakPolarHBondContact CE2-O 3.33Å; F45-S90 VanDerWaalsContact CE2-CB 3.49Å; F45-L91 HydrophobicContact CD2-CD2 3.92Å; F45-L91 HydrophobicContact CD2-CG 3.91Å; F45-L91 HydrophobicContact CE2-CD2 4.34Å; F45-L91 HydrophobicContact CE2-CG 3.89Å
46G87.6Confident92.7Very high44 Ų4455.9 Ų55.945%0.45431%0.308SS..THydrogen-bonded Turntrans54.2-123.1-168.300000110.2V44V44-G46 WeakPolarHBondContact CG1-O 3.13Å
47D86.2Confident92.8Very high176 Ų17654.8 Ų54.894%0.94129%0.294SS*.THydrogen-bonded Turntrans-93.15.1178.7-56-41.7000113.7F45F45-D47 PolarHBondContact O-N 2.79Å
48S91.3Very high92.9Very high71 Ų7155.7 Ų55.750%0.49730%0.299SS..EExtended strand (participates in β ladder)trans-112.8160.9-175.3-65.50000112.7F45F45-S48 PolarHBondContact N-O 2.57Å; F45-S48 PolarHBondContact O-N 2.97Å
49K93.1Very high93.1Very high173 Ų17353.3 Ų53.375%0.75228%0.283SS*.EExtended strand (participates in β ladder)trans-104.3128.3169.3-67.9-178.1-179178.10109.3L43L43-K49 WeakPolarHBondContact O-CA 3.28Å
50L94.7Very high93.3Very high28 Ų2853 Ų5315%0.14728%0.282CS..EExtended strand (participates in β ladder)trans-113.2141.5175-62.1-179.3000110K42 L43 F45 E54 L58K42-L50 CarbonylContact C-O 3.59Å; K42-L50 VanDerWaalsContact CA-O 3.22Å; K42-L50 WeakPolarHBondContact CA-O 3.49Å; L43-L50 HydrophobicContact CD1-CB 4.06Å; L43-L50 PolarHBondContact N-O 3.47Å; L43-L50 PolarHBondContact O-N 3.35Å; F45-L50 HydrophobicContact CB-CD1 3.48Å; F45-L50 VanDerWaalsContact CB-CD1 3.48Å; F45-L50 HydrophobicContact CB-CG 3.82Å; F45-L50 HydrophobicContact CD1-CD1 4.03Å; F45-L50 HydrophobicContact CD2-CD1 4.27Å; F45-L50 HydrophobicContact CG-CD1 3.66Å; F45-L50 HydrophobicContact CG-CG 4.43Å; L50-E54 HydrophobicContact CB-CB 4.26Å; L50-E54 HydrophobicContact CD2-CB 4.19Å; L50-L58 HydrophobicContact CD1-CD2 4.02Å
51T95.2Very high93.5Very high42 Ų4252 Ų5226%0.25827%0.269SS..EExtended strand (participates in β ladder)trans-69158.7160.761.50000110.3G41 K42 N53 E54 A55G41-T51 CarbonylContact O-C 3.56Å; G41-T51 WeakPolarHBondContact O-CA 3.29Å; K42-T51 HydrophobicContact CG-CG2 4.33Å; T51-N53 PolarHBondContact O-N 2.82Å; T51-E54 WeakPolarHBondContact CB-OE2 3.23Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.4Å; T51-E54 PolarHBondContact N-OE2 3.37Å; T51-E54 PolarHBondContact O-N 2.91Å; T51-E54 WeakPolarHBondContact OG1-CB 2.91Å; T51-E54 VanDerWaalsContact OG1-CD 3.25Å; T51-E54 WeakPolarHBondContact OG1-CG 3.45Å; T51-E54 PolarHBondContact OG1-N 3.14Å; T51-E54 PolarHBondContact OG1-OE2 3.15Å; T51-A55 PolarHBondContact O-N 2.86Å
52Y95.3Very high93.7Very high1 Ų152 Ų520%0.00427%0.266CS..Hα-helixtrans-59-34.1175.3-76.66.3000112.5L39 G41 L43 A55 L56 F95 V98 L104 E108 F111 T112L39-Y52 HydrophobicContact CB-CD2 4.13Å; G41-Y52 VanDerWaalsContact C-CD1 3.41Å; G41-Y52 VanDerWaalsContact O-CD1 3.28Å; G41-Y52 WeakPolarHBondContact O-CD1 3.27Å; G41-Y52 PolarHBondContact O-N 3.48Å; L43-Y52 HydrophobicContact CB-CE1 4.4Å; L43-Y52 HydrophobicContact CD2-CD1 4.17Å; L43-Y52 HydrophobicContact CD2-CE1 4.21Å; Y52-A55 PolarHBondContact O-N 3.47Å; Y52-L56 VanDerWaalsContact O-CB 3.3Å; Y52-L56 WeakPolarHBondContact O-CB 3.33Å; Y52-L56 PolarHBondContact O-N 3.36Å; Y52-F95 HydrophobicContact CD1-CE1 4.4Å; Y52-F95 HydrophobicContact CE1-CE1 4.36Å; Y52-V98 HydrophobicContact CE1-CG2 4.4Å; Y52-V98 WeakPolarHBondContact OH-CG2 3.43Å; Y52-L104 WeakPolarHBondContact OH-CD2 3.41Å; Y52-E108 HydrophobicContact CD2-CG 4.39Å; Y52-E108 HydrophobicContact CE2-CB 4.03Å; Y52-E108 HydrophobicContact CE2-CG 4.06Å; Y52-F111 HydrophobicContact CD1-CE1 4.49Å; Y52-F111 AromaticContact CD2-CD1 3.59Å; Y52-F111 HydrophobicContact CD2-CD1 3.59Å; Y52-F111 AromaticContact CD2-CE1 3.66Å; Y52-F111 HydrophobicContact CD2-CE1 3.66Å; Y52-F111 AromaticContact CE2-CD1 3.94Å; Y52-F111 HydrophobicContact CE2-CD1 3.94Å; Y52-F111 HydrophobicContact CE2-CE1 4.33Å; Y52-F111 HydrophobicContact CG-CD1 4.19Å; Y52-F111 AromaticContact CG-CE1 3.76Å; Y52-F111 HydrophobicContact CG-CE1 3.76Å; Y52-T112 PolarHBondContact OH-OG1 2.93Å
53N94.9Very high93.8Very high20 Ų2045.3 Ų45.311%0.10724%0.237CC..Hα-helixtrans-67.2-41.7176.9-65.8-8.3000111.8S34 I37 T51 L56 Y57S34-N53 WeakPolarHBondContact O-CB 2.91Å; S34-N53 PolarHBondContact O-ND2 3.35Å; S34-N53 PolarHBondContact O-OD1 2.95Å; I37-N53 PolarHBondContact O-ND2 2.99Å; I37-N53 PolarHBondContact O-OD1 2.95Å; T51-N53 PolarHBondContact O-N 2.82Å; N53-L56 PolarHBondContact O-N 3.09Å; N53-Y57 PolarHBondContact O-N 3.3Å
54E95.5Very high93.7Very high91 Ų9147.5 Ų47.543%0.42525%0.245SC..Hα-helixtrans-66.1-40.9173.5-71.7163.4144.400111.9L50 T51 L56 Y57 L58L50-E54 HydrophobicContact CB-CB 4.26Å; L50-E54 HydrophobicContact CD2-CB 4.19Å; T51-E54 WeakPolarHBondContact CB-OE2 3.23Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.4Å; T51-E54 PolarHBondContact N-OE2 3.37Å; T51-E54 PolarHBondContact O-N 2.91Å; T51-E54 WeakPolarHBondContact OG1-CB 2.91Å; T51-E54 VanDerWaalsContact OG1-CD 3.25Å; T51-E54 WeakPolarHBondContact OG1-CG 3.45Å; T51-E54 PolarHBondContact OG1-N 3.14Å; T51-E54 PolarHBondContact OG1-OE2 3.15Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 2.95Å; E54-Y57 PolarHBondContact O-N 2.9Å; E54-L58 WeakPolarHBondContact O-CB 3.18Å; E54-L58 PolarHBondContact O-N 3.47Å
55A96.2Very high93.6Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-63.5-39175.900000112L43 T51 Y52 L58 F59 L91 F95L43-A55 HydrophobicContact CD1-CB 4.5Å; L43-A55 HydrophobicContact CD2-CB 3.86Å; L43-A55 HydrophobicContact CG-CB 4.42Å; T51-A55 PolarHBondContact O-N 2.86Å; Y52-A55 PolarHBondContact O-N 3.47Å; A55-L58 PolarHBondContact O-N 3.11Å; A55-F59 WeakPolarHBondContact O-CB 3.42Å; A55-F59 PolarHBondContact O-N 2.86Å; A55-L91 HydrophobicContact CB-CD2 4.01Å; A55-F95 HydrophobicContact CB-CZ 4.05Å
56L95.5Very high93.7Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-66.4-43.1176.3-174.964000111.6L15 F18 F19 I37 Y52 N53 E54 F59 C60 F111 M115L15-L56 HydrophobicContact CD2-CD2 4.01Å; F18-L56 HydrophobicContact CD1-CD1 3.85Å; F18-L56 HydrophobicContact CD1-CD2 4.01Å; F18-L56 HydrophobicContact CD1-CG 3.94Å; F18-L56 HydrophobicContact CD2-CD2 4.19Å; F18-L56 HydrophobicContact CD2-CG 4.46Å; F18-L56 HydrophobicContact CE1-CD1 3.46Å; F18-L56 VanDerWaalsContact CE1-CD1 3.46Å; F18-L56 HydrophobicContact CE1-CD2 4.05Å; F18-L56 HydrophobicContact CE1-CG 3.48Å; F18-L56 VanDerWaalsContact CE1-CG 3.48Å; F18-L56 HydrophobicContact CE2-CD2 4.23Å; F18-L56 HydrophobicContact CE2-CG 4.07Å; F18-L56 HydrophobicContact CG-CD2 4.09Å; F18-L56 HydrophobicContact CG-CG 4.41Å; F18-L56 HydrophobicContact CZ-CD1 4.05Å; F18-L56 HydrophobicContact CZ-CD2 4.15Å; F18-L56 HydrophobicContact CZ-CG 3.55Å; F18-L56 WeakPolarHBondContact CZ-O 3.37Å; F19-L56 HydrophobicContact CE1-CD1 4.26Å; F19-L56 HydrophobicContact CE2-CD1 4.37Å; F19-L56 HydrophobicContact CZ-CD1 3.7Å; I37-L56 HydrophobicContact CD1-CD2 3.38Å; Y52-L56 VanDerWaalsContact O-CB 3.3Å; Y52-L56 WeakPolarHBondContact O-CB 3.33Å; Y52-L56 PolarHBondContact O-N 3.36Å; N53-L56 PolarHBondContact O-N 3.09Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 2.95Å; L56-F59 WeakPolarHBondContact O-CB 3.44Å; L56-F59 PolarHBondContact O-N 3.43Å; L56-C60 PolarHBondContact O-N 3.26Å; L56-F111 HydrophobicContact CB-CZ 4.41Å; L56-F111 HydrophobicContact CD1-CE2 4.19Å; L56-F111 HydrophobicContact CD1-CZ 4.41Å; L56-M115 HydrophobicContact CD1-CE 4.35Å; L56-M115 HydrophobicContact CD1-SD 4.34Å
57Y95.3Very high94Very high44 Ų4442.3 Ų42.317%0.17321%0.206CC..Hα-helixtrans-62.5-42.6173.5177.9-112.6000112.2L27 K31 N53 E54 C60 R61L27-Y57 HydrophobicContact CD2-CE2 4.42Å; K31-Y57 HydrophobicContact CB-CD2 3.73Å; K31-Y57 HydrophobicContact CB-CE2 3.56Å; K31-Y57 HydrophobicContact CB-CG 4.43Å; K31-Y57 HydrophobicContact CD-CE1 4.3Å; K31-Y57 HydrophobicContact CD-CE2 4.44Å; K31-Y57 HydrophobicContact CG-CD1 4.44Å; K31-Y57 HydrophobicContact CG-CD2 4.04Å; K31-Y57 HydrophobicContact CG-CE1 4.42Å; K31-Y57 HydrophobicContact CG-CE2 4.04Å; K31-Y57 HydrophobicContact CG-CG 4.25Å; N53-Y57 PolarHBondContact O-N 3.3Å; E54-Y57 PolarHBondContact O-N 2.9Å; Y57-C60 WeakPolarHBondContact O-CB 3.22Å; Y57-C60 PolarHBondContact O-N 2.86Å; Y57-R61 HydrophobicContact CE1-CG 4.39Å; Y57-R61 PolarHBondContact O-N 3Å; Y57-R61 VanDerWaalsContact O-N 3.13Å
58L95.1Very high94.1Very high22 Ų2235.1 Ų35.112%0.11517%0.169CC..Hα-helixtrans-60.9-44.8174.9179.558.7000111.3F45 L50 E54 A55 C60 R61 L62 L91F45-L58 HydrophobicContact CD1-CD2 4.45Å; F45-L58 HydrophobicContact CD2-CD2 4.04Å; F45-L58 HydrophobicContact CE1-CD2 4.09Å; F45-L58 HydrophobicContact CE2-CD2 3.62Å; F45-L58 HydrophobicContact CG-CD2 4.44Å; F45-L58 HydrophobicContact CZ-CD2 3.66Å; L50-L58 HydrophobicContact CD1-CD2 4.02Å; E54-L58 WeakPolarHBondContact O-CB 3.18Å; E54-L58 PolarHBondContact O-N 3.47Å; A55-L58 PolarHBondContact O-N 3.11Å; L58-C60 VanDerWaalsContact C-N 3.32Å; L58-C60 PolarHBondContact O-N 2.72Å; L58-R61 WeakPolarHBondContact O-CB 3.43Å; L58-R61 PolarHBondContact O-N 2.93Å; L58-R61 VanDerWaalsContact O-N 3.14Å; L58-L62 HydrophobicContact CD1-CD1 4.44Å; L58-L62 HydrophobicContact CD1-CG 4.33Å; L58-L62 HydrophobicContact CG-CD1 4.15Å; L58-L62 HydrophobicContact CG-CG 4.49Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 2.95Å; L58-L91 HydrophobicContact CD2-CD1 4.21Å; L58-L91 HydrophobicContact CD2-CD2 4.02Å; L58-L91 HydrophobicContact CD2-CG 4.12Å; L58-L91 HydrophobicContact CG-CD1 4.19Å
59F96Very high94.1Very high0 Ų032.3 Ų32.30%015%0.148CC..Hα-helixtrans-56.5-44.1174.5179.6-89.5000111.8F19 I22 A55 L56 R61 L62 E63 Y88 L91 M115 F118 T119 I171F19-F59 HydrophobicContact CE1-CD1 4.25Å; F19-F59 AromaticContact CE1-CE1 3.97Å; F19-F59 HydrophobicContact CE1-CE1 3.97Å; I22-F59 HydrophobicContact CD1-CD1 4.04Å; I22-F59 HydrophobicContact CD1-CE1 3.9Å; A55-F59 WeakPolarHBondContact O-CB 3.42Å; A55-F59 PolarHBondContact O-N 2.86Å; L56-F59 WeakPolarHBondContact O-CB 3.44Å; L56-F59 PolarHBondContact O-N 3.43Å; F59-R61 VanDerWaalsContact C-N 3.34Å; F59-R61 PolarHBondContact O-N 2.96Å; F59-L62 PolarHBondContact O-N 2.89Å; F59-E63 WeakPolarHBondContact O-CB 3.21Å; F59-E63 PolarHBondContact O-N 3.45Å; F59-Y88 HydrophobicContact CD2-CE1 4.01Å; F59-Y88 AromaticContact CE2-CE1 3.88Å; F59-Y88 HydrophobicContact CE2-CE1 3.88Å; F59-L91 HydrophobicContact CB-CD1 4.44Å; F59-M115 HydrophobicContact CB-CE 3.78Å; F59-M115 HydrophobicContact CD1-CE 4.25Å; F59-M115 HydrophobicContact CD2-CE 3.75Å; F59-M115 HydrophobicContact CE2-CE 4.43Å; F59-M115 HydrophobicContact CG-CE 3.66Å; F59-F118 HydrophobicContact CE2-CB 3.89Å; F59-F118 HydrophobicContact CZ-CB 3.95Å; F59-T119 HydrophobicContact CD2-CG2 4.09Å; F59-T119 HydrophobicContact CE2-CG2 4.33Å; F59-I171 HydrophobicContact CE1-CD1 4.4Å; F59-I171 HydrophobicContact CE1-CG1 4.24Å; F59-I171 HydrophobicContact CZ-CD1 4.44Å; F59-I171 HydrophobicContact CZ-CG1 4.23Å
60C95Very high93.9Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-59.2-41.5175.6171.70000113F18 I22 L56 Y57 L58 E63 R64F18-C60 HydrophobicContact CE1-CB 4.12Å; F18-C60 HydrophobicContact CE2-CB 4.47Å; F18-C60 HydrophobicContact CZ-CB 3.54Å; I22-C60 HydrophobicContact CD1-CB 4.28Å; I22-C60 HydrophobicContact CG1-CB 3.9Å; L56-C60 PolarHBondContact O-N 3.26Å; Y57-C60 WeakPolarHBondContact O-CB 3.22Å; Y57-C60 PolarHBondContact O-N 2.86Å; L58-C60 VanDerWaalsContact C-N 3.32Å; L58-C60 PolarHBondContact O-N 2.72Å; C60-E63 PolarHBondContact O-N 2.86Å; C60-R64 WeakPolarHBondContact O-CG 3.29Å; C60-R64 PolarHBondContact O-N 2.86Å
61R93.9Very high93.7Very high123 Ų12324 Ų2446%0.46411%0.112SC..Hα-helixtrans-63.2-46.7174.6-70.7178.660.4-158-3.9111.9L27 Y57 L58 F59 E63 R64 D65L27-R61 HydrophobicContact CD2-CG 3.97Å; Y57-R61 HydrophobicContact CE1-CG 4.39Å; Y57-R61 PolarHBondContact O-N 3Å; Y57-R61 VanDerWaalsContact O-N 3.13Å; L58-R61 WeakPolarHBondContact O-CB 3.43Å; L58-R61 PolarHBondContact O-N 2.93Å; L58-R61 VanDerWaalsContact O-N 3.14Å; F59-R61 VanDerWaalsContact C-N 3.34Å; F59-R61 PolarHBondContact O-N 2.96Å; R61-E63 VanDerWaalsContact C-N 3.3Å; R61-E63 PolarHBondContact O-N 3.42Å; R61-R64 PolarHBondContact O-N 3.37Å; R61-D65 PolarHBondContact O-N 2.9Å
62L94.8Very high93.3Very high9 Ų923.7 Ų23.75%0.04711%0.108CC..Hα-helixtrans-63.8-35.4178.8-67.4173.2000112.2L58 F59 D65 Y66 Y88 L91L58-L62 HydrophobicContact CD1-CD1 4.44Å; L58-L62 HydrophobicContact CD1-CG 4.33Å; L58-L62 HydrophobicContact CG-CD1 4.15Å; L58-L62 HydrophobicContact CG-CG 4.49Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 2.95Å; F59-L62 PolarHBondContact O-N 2.89Å; L62-D65 PolarHBondContact O-N 3.44Å; L62-Y66 VanDerWaalsContact O-CB 3.23Å; L62-Y66 WeakPolarHBondContact O-CB 3.31Å; L62-Y66 PolarHBondContact O-N 3.38Å; L62-Y88 VanDerWaalsContact C-OH 3.24Å; L62-Y88 HydrophobicContact CB-CD2 4.46Å; L62-Y88 HydrophobicContact CB-CE1 4.18Å; L62-Y88 HydrophobicContact CB-CE2 3.78Å; L62-Y88 HydrophobicContact CD1-CD1 4.4Å; L62-Y88 HydrophobicContact CD1-CE1 4.45Å; L62-Y88 HydrophobicContact CD1-CG 4.44Å; L62-Y88 PolarHBondContact O-OH 3.23Å; L62-L91 HydrophobicContact CD1-CD1 3.59Å
63E94.7Very high92.5Very high1 Ų127.7 Ų27.71%0.00513%0.134CC..Hα-helixtrans-66-39.2176.9-174.765.7-172.300111.4I22 L23 F59 C60 R61 Y66 L67 Y88 R122 I171I22-E63 HydrophobicContact CD1-CB 4.07Å; I22-E63 HydrophobicContact CD1-CG 3.99Å; I22-E63 HydrophobicContact CG1-CG 4.47Å; L23-E63 HydrophobicContact CD2-CG 4.28Å; F59-E63 WeakPolarHBondContact O-CB 3.21Å; F59-E63 PolarHBondContact O-N 3.45Å; C60-E63 PolarHBondContact O-N 2.86Å; R61-E63 VanDerWaalsContact C-N 3.3Å; R61-E63 PolarHBondContact O-N 3.42Å; E63-Y66 WeakPolarHBondContact O-CB 3.45Å; E63-Y66 PolarHBondContact O-N 3.22Å; E63-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CG 3.45Å; E63-L67 PolarHBondContact O-N 3.38Å; E63-Y88 WeakPolarHBondContact CA-OH 3.38Å; E63-Y88 PolarHBondContact N-OH 3Å; E63-Y88 PolarHBondContact OE2-OH 3.48Å; E63-R122 IonicContact OE1-CZ 3.61Å; E63-R122 IonicContact OE1-NE 3.68Å; E63-R122 PolarHBondContact OE1-NE 2.64Å; E63-R122 IonicContact OE1-NH2 2.83Å; E63-R122 PolarHBondContact OE1-NH2 3.16Å; E63-R122 IonicContact OE2-CZ 2.96Å; E63-R122 IonicContact OE2-NE 2.7Å; E63-R122 PolarHBondContact OE2-NE 2.9Å; E63-R122 IonicContact OE2-NH2 2.73Å; E63-I171 HydrophobicContact CG-CD1 4.33Å; E63-I171 WeakPolarHBondContact OE1-CD1 3.37Å
64R92Very high91.2Very high50 Ų5031.3 Ų31.319%0.18915%0.153CC..Hα-helixtrans-67-42.8174.7-69.2180-170-147.8-1.5112.5I22 L23 T25 C60 R61 Y66 S68I22-R64 VanDerWaalsContact O-CZ 3.24Å; I22-R64 PolarHBondContact O-NE 2.9Å; I22-R64 PolarHBondContact O-NH2 3.3Å; L23-R64 HydrophobicContact CD2-CG 4.16Å; T25-R64 VanDerWaalsContact O-CZ 3.29Å; T25-R64 PolarHBondContact O-NH1 2.87Å; T25-R64 PolarHBondContact O-NH2 3.47Å; C60-R64 WeakPolarHBondContact O-CG 3.29Å; C60-R64 PolarHBondContact O-N 2.86Å; R61-R64 PolarHBondContact O-N 3.37Å; R64-Y66 VanDerWaalsContact C-N 3.3Å; R64-S68 VanDerWaalsContact O-CB 3.26Å; R64-S68 WeakPolarHBondContact O-CB 3.32Å; R64-S68 PolarHBondContact O-N 3.45Å; R64-S68 PolarHBondContact O-OG 2.94Å
65D91.3Very high89.6Confident35 Ų3536.9 Ų36.919%0.18718%0.176CC..Hα-helixtrans-60.7-43.6173.9-81.7-28.5000110.5R61 L62 S68 L69 D70 K81R61-D65 PolarHBondContact O-N 2.9Å; L62-D65 PolarHBondContact O-N 3.44Å; D65-S68 CarbonylContact O-C 3.59Å; D65-S68 PolarHBondContact O-N 3.45Å; D65-L69 PolarHBondContact O-N 2.81Å; D65-D70 HydrophobicContact CB-CB 4.35Å; D65-D70 PolarHBondContact O-N 3.33Å; D65-K81 IonicContact OD1-NZ 2.64Å; D65-K81 PolarHBondContact OD1-NZ 3.48Å; D65-K81 WeakPolarHBondContact OD2-CE 3.43Å; D65-K81 IonicContact OD2-NZ 3.56Å; D65-K81 PolarHBondContact OD2-NZ 3.17Å
66Y94.4Very high88.1Confident1 Ų139.7 Ų39.70%0.00420%0.195CC..Hα-helixtrans-58-54.2178.1179.5-87.4000112.9L62 E63 R64 S68 L69 I71 R122 L125 I126 Y129 E178 L232L62-Y66 VanDerWaalsContact O-CB 3.23Å; L62-Y66 WeakPolarHBondContact O-CB 3.31Å; L62-Y66 PolarHBondContact O-N 3.38Å; E63-Y66 WeakPolarHBondContact O-CB 3.45Å; E63-Y66 PolarHBondContact O-N 3.22Å; R64-Y66 VanDerWaalsContact C-N 3.3Å; Y66-S68 PolarHBondContact O-N 2.77Å; Y66-L69 WeakPolarHBondContact O-CA 3.47Å; Y66-L69 PolarHBondContact O-N 3.42Å; Y66-I71 HydrophobicContact CD2-CG2 3.87Å; Y66-I71 HydrophobicContact CG-CG2 4.36Å; Y66-R122 PolarHBondContact OH-NH1 3.3Å; Y66-L125 HydrophobicContact CE2-CB 4.24Å; Y66-L125 WeakPolarHBondContact OH-CB 3.17Å; Y66-L125 WeakPolarHBondContact OH-CD1 3.43Å; Y66-I126 HydrophobicContact CD2-CD1 3.96Å; Y66-I126 HydrophobicContact CD2-CG1 3.6Å; Y66-I126 HydrophobicContact CE2-CD1 4.37Å; Y66-I126 HydrophobicContact CE2-CG1 3.58Å; Y66-Y129 HydrophobicContact CE2-CE2 4.47Å; Y66-E178 WeakPolarHBondContact CE1-OE2 3.48Å; Y66-E178 PolarHBondContact OH-OE1 3.22Å; Y66-E178 PolarHBondContact OH-OE2 2.92Å; Y66-L232 HydrophobicContact CD1-CD2 4.4Å; Y66-L232 HydrophobicContact CE1-CD2 3.79Å
67L92.8Very high86.2Confident2 Ų247.7 Ų47.71%0.0124%0.237CC..Hα-helixtrans-69.8-21.3-178.7-66.1171.5000113L23 E63 L69 L232L23-L67 HydrophobicContact CD1-CD1 3.26Å; L23-L67 HydrophobicContact CD2-CD1 3.34Å; L23-L67 HydrophobicContact CG-CD1 3.9Å; E63-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CG 3.45Å; E63-L67 PolarHBondContact O-N 3.38Å; L67-L69 PolarHBondContact O-N 2.8Å; L67-L232 HydrophobicContact CD2-CD2 3.52Å; L67-L232 WeakPolarHBondContact O-CB 3.26Å; L67-L232 PolarHBondContact O-N 3.46Å; L67-L232 VanDerWaalsContact O-N 3.09Å
68S89.6Confident84.4Confident24 Ų2454.3 Ų54.317%0.16827%0.267CS..THydrogen-bonded Turntrans-79.8-1.9171-57.50000113.2R64 D65 Y66 D70R64-S68 VanDerWaalsContact O-CB 3.26Å; R64-S68 WeakPolarHBondContact O-CB 3.32Å; R64-S68 PolarHBondContact O-N 3.45Å; R64-S68 PolarHBondContact O-OG 2.94Å; D65-S68 CarbonylContact O-C 3.59Å; D65-S68 PolarHBondContact O-N 3.45Å; Y66-S68 PolarHBondContact O-N 2.77Å; S68-D70 WeakPolarHBondContact CB-OD2 3.41Å; S68-D70 PolarHBondContact O-N 3.43Å
69L91.2Very high82.6Confident12 Ų1255.4 Ų55.46%0.06328%0.277CS..THydrogen-bonded Turntrans58.123.1-171.3-62.8174.8000113.6D65 Y66 L67 I71 P231 L232 W235 L429D65-L69 PolarHBondContact O-N 2.81Å; Y66-L69 WeakPolarHBondContact O-CA 3.47Å; Y66-L69 PolarHBondContact O-N 3.42Å; L67-L69 PolarHBondContact O-N 2.8Å; L69-I71 PolarHBondContact O-N 3.46Å; L69-P231 HydrophobicContact CB-CB 4.49Å; L69-P231 HydrophobicContact CD1-CB 4.15Å; L69-P231 HydrophobicContact CG-CB 4.24Å; L69-L232 HydrophobicContact CD2-CB 4.17Å; L69-L232 HydrophobicContact CD2-CD1 3.81Å; L69-L232 HydrophobicContact CG-CB 4.27Å; L69-W235 HydrophobicContact CD1-CB 4.01Å; L69-W235 HydrophobicContact CD1-CG 4.48Å; L69-L429 HydrophobicContact CD1-CD2 4.43Å; L69-L429 HydrophobicContact CD2-CD2 4.35Å
70D89.1Confident80.8Confident24 Ų2467.2 Ų67.213%0.12832%0.321CS..THydrogen-bonded Turntrans-80.541.1173.7-66.3-42.2000110.8D65 S68 H432 R433D65-D70 HydrophobicContact CB-CB 4.35Å; D65-D70 PolarHBondContact O-N 3.33Å; S68-D70 WeakPolarHBondContact CB-OD2 3.41Å; S68-D70 PolarHBondContact O-N 3.43Å; D70-H432 IonicContact OD1-CE1 2.84Å; D70-H432 IonicContact OD1-ND1 3.67Å; D70-H432 PolarHBondContact OD1-ND1 2.86Å; D70-R433 IonicContact OD2-CZ 3.79Å; D70-R433 IonicContact OD2-NE 2.58Å; D70-R433 IonicContact OD2-NH2 3.85Å; D70-R433 PolarHBondContact OD2-NH2 3.49Å
71I90.4Very high79.5Confident2 Ų272.3 Ų72.31%0.0134%0.343CS..THydrogen-bonded Turntrans-104.3-5.2-175.764.3174.6000113.2Y66 L69 I126 Y129 R130Y66-I71 HydrophobicContact CD2-CG2 3.87Å; Y66-I71 HydrophobicContact CG-CG2 4.36Å; L69-I71 PolarHBondContact O-N 3.46Å; I71-I126 HydrophobicContact CB-CG1 4.33Å; I71-I126 HydrophobicContact CB-CG2 4.13Å; I71-I126 HydrophobicContact CD1-CG1 4.35Å; I71-I126 HydrophobicContact CD1-CG2 4.34Å; I71-I126 HydrophobicContact CG2-CD1 4.32Å; I71-I126 HydrophobicContact CG2-CG1 4.16Å; I71-Y129 HydrophobicContact CD1-CD2 3.88Å; I71-Y129 HydrophobicContact CD1-CG 4.23Å; I71-R130 VanDerWaalsContact O-CZ 3.27Å; I71-R130 PolarHBondContact O-NE 2.8Å; I71-R130 PolarHBondContact O-NH2 3.07Å
72F86.8Confident78.6Confident37 Ų3772.3 Ų72.316%0.16235%0.349CS..SBendtrans-92.9137.8178.2-62.3-81.3000109.4N74 R130 A133 L429 K430F72-N74 PolarHBondContact O-N 2.78Å; F72-R130 HydrophobicContact CD1-CG 4.17Å; F72-R130 HydrophobicContact CE1-CG 4.13Å; F72-A133 HydrophobicContact CD1-CB 4.37Å; F72-A133 HydrophobicContact CE1-CB 3.5Å; F72-A133 VanDerWaalsContact CE1-CB 3.5Å; F72-A133 HydrophobicContact CZ-CB 4.05Å; F72-L429 HydrophobicContact CE2-CB 3.99Å; F72-L429 WeakPolarHBondContact CE2-O 2.97Å; F72-L429 HydrophobicContact CZ-CB 3.77Å; F72-K430 HydrophobicContact CD1-CG 4.3Å; F72-K430 HydrophobicContact CE1-CG 4.43Å; F72-K430 HydrophobicContact CG-CG 4.41Å
73P77.6Confident78.2Confident85 Ų8575 Ų7555%0.55236%0.363SS*.PPolyproline II helixtrans-60.6127.5179.125.1-32.7000109.4K75P73-K75 PolarHBondContact O-N 2.79Å
74N68Low78.1Confident96 Ų9675.2 Ų75.251%0.51337%0.365SS..PPolyproline II helixtrans-71.3125.1175.4-168.4-10000108.3F72 S76F72-N74 PolarHBondContact O-N 2.78Å; N74-S76 PolarHBondContact O-N 2.93Å; N74-S76 VanDerWaalsContact O-N 3.15Å; N74-S76 PolarHBondContact OD1-N 3.45Å
75K63.1Low78.2Confident208 Ų20874 Ų7490%0.90436%0.362SS*.  trans-71-2.6178.6-66.5-173.7177.5-175.20113.3P73 L77P73-K75 PolarHBondContact O-N 2.79Å; K75-L77 PolarHBondContact O-N 2.83Å
76S63Low78.3Confident58 Ų5873.7 Ų73.741%0.40637%0.367SS..  trans-64.3122175.3176.90000111.1N74 F78 S79N74-S76 PolarHBondContact O-N 2.93Å; N74-S76 VanDerWaalsContact O-N 3.15Å; N74-S76 PolarHBondContact OD1-N 3.45Å; S76-F78 PolarHBondContact O-N 3.43Å; S76-F78 PolarHBondContact OG-N 3.27Å; S76-S79 WeakPolarHBondContact O-CB 3.28Å; S76-S79 PolarHBondContact O-N 3.44Å
77L55.8Low78.3Confident169 Ų16973.9 Ų73.989%0.88537%0.369SS*.THydrogen-bonded Turntrans-54.9-19.6174.6-70.6169.2000113.5K75K75-L77 PolarHBondContact O-N 2.83Å
78F57.6Low78.5Confident183 Ų18373.8 Ų73.880%0.80337%0.368SS*.THydrogen-bonded Turntrans-107.85.6-178.8-58.5-72.6000113.7S76 R80S76-F78 PolarHBondContact O-N 3.43Å; S76-F78 PolarHBondContact OG-N 3.27Å; F78-R80 PolarHBondContact O-N 3.29Å
79S56.6Low78.8Confident45 Ų4576.1 Ų76.132%0.31538%0.379SS..  trans-70.4100.3177.8-179.80000110.2S76 K81S76-S79 WeakPolarHBondContact O-CB 3.28Å; S76-S79 PolarHBondContact O-N 3.44Å; S79-K81 PolarHBondContact O-N 3.1Å; S79-K81 PolarHBondContact OG-N 2.82Å
80R58.2Low79Confident247 Ų24777.5 Ų77.593%0.93239%0.389SS*.  trans-76.95.6168-62.6-175.6-177.5175.30.4113.1F78 E82F78-R80 PolarHBondContact O-N 3.29Å; R80-E82 PolarHBondContact O-N 3.39Å
81K68.7Low79.3Confident107 Ų10776.3 Ų76.347%0.46538%0.383SS..PPolyproline II helixtrans-68.1122.9179.2-164.2179.6-175.7-1760108.3D65 S79D65-K81 IonicContact OD1-NZ 2.64Å; D65-K81 PolarHBondContact OD1-NZ 3.48Å; D65-K81 WeakPolarHBondContact OD2-CE 3.43Å; D65-K81 IonicContact OD2-NZ 3.56Å; D65-K81 PolarHBondContact OD2-NZ 3.17Å; S79-K81 PolarHBondContact O-N 3.1Å; S79-K81 PolarHBondContact OG-N 2.82Å
82E74.2Confident79.6Confident124 Ų12480.5 Ų80.558%0.57940%0.398SS*.PPolyproline II helixtrans-55.3143.5173.8-70.8178.8-17100110.9R80 C84 S87R80-E82 PolarHBondContact O-N 3.39Å; E82-C84 PolarHBondContact O-N 3.2Å; E82-S87 PolarHBondContact OE2-OG 3.47Å
83D87.8Confident80Confident64 Ų6481.4 Ų81.434%0.34241%0.413SS..PPolyproline II helixtrans-67.1118176.6-175.465.1000110.3L85 G86 S87 R130D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 3.49Å; D83-L85 WeakPolarHBondContact OD2-CB 3.19Å; D83-L85 PolarHBondContact OD2-N 2.76Å; D83-G86 CarbonylContact O-C 3.49Å; D83-G86 WeakPolarHBondContact O-CA 3.48Å; D83-G86 PolarHBondContact O-N 3.12Å; D83-G86 PolarHBondContact OD2-N 3.39Å; D83-S87 PolarHBondContact O-N 3.38Å; D83-S87 PolarHBondContact O-OG 3.29Å; D83-R130 IonicContact OD1-CZ 3.49Å; D83-R130 IonicContact OD1-NH1 3.73Å; D83-R130 PolarHBondContact OD1-NH1 2.61Å; D83-R130 VanDerWaalsContact OD1-NH1 3.13Å; D83-R130 IonicContact OD1-NH2 3.3Å; D83-R130 PolarHBondContact OD1-NH2 2.92Å; D83-R130 IonicContact OD2-CZ 2.74Å; D83-R130 IonicContact OD2-NH1 2.76Å; D83-R130 PolarHBondContact OD2-NH1 2.74Å; D83-R130 IonicContact OD2-NH2 3.62Å
84C91.9Very high80.9Confident6 Ų677.4 Ų77.44%0.04139%0.387CS..Hα-helixtrans-57.3-41.2-175.2-172.10000112.6E82 S87 Y88E82-C84 PolarHBondContact O-N 3.2Å; C84-S87 PolarHBondContact O-N 2.93Å; C84-Y88 VanDerWaalsContact O-CD2 3.29Å; C84-Y88 WeakPolarHBondContact O-CD2 3.16Å; C84-Y88 PolarHBondContact O-N 2.89Å
85L94.3Very high82.2Confident25 Ų2572.8 Ų72.813%0.13136%0.362CS..Hα-helixtrans-64.1-46.8175.5175.259.9000111.2D83 S87 Y88 N89 G123 I126D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 3.49Å; D83-L85 WeakPolarHBondContact OD2-CB 3.19Å; D83-L85 PolarHBondContact OD2-N 2.76Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 3.21Å; L85-Y88 PolarHBondContact O-N 2.82Å; L85-N89 WeakPolarHBondContact O-CB 3.17Å; L85-N89 PolarHBondContact O-N 3.37Å; L85-N89 PolarHBondContact O-ND2 3.43Å; L85-G123 VanDerWaalsContact CD1-O 3.25Å; L85-G123 WeakPolarHBondContact CD1-O 3.49Å; L85-I126 HydrophobicContact CB-CB 4.5Å; L85-I126 HydrophobicContact CB-CG2 3.82Å; L85-I126 HydrophobicContact CD1-CB 4.25Å; L85-I126 HydrophobicContact CD1-CG2 4.37Å; L85-I126 HydrophobicContact CG-CG2 4.47Å
86G93.8Very high83.6Confident28 Ų2865.5 Ų65.529%0.28933%0.333SS..Hα-helixtrans-52.5-4917300000112.5D83 Y88 N89 S90D83-G86 CarbonylContact O-C 3.49Å; D83-G86 WeakPolarHBondContact O-CA 3.48Å; D83-G86 PolarHBondContact O-N 3.12Å; D83-G86 PolarHBondContact OD2-N 3.39Å; G86-Y88 PolarHBondContact O-N 2.64Å; G86-N89 PolarHBondContact O-N 2.95Å; G86-S90 WeakPolarHBondContact O-CB 3.32Å; G86-S90 PolarHBondContact O-N 3.46Å; G86-S90 PolarHBondContact O-OG 2.81Å
87S94.7Very high85Confident6 Ų666.4 Ų66.44%0.04234%0.339CS..Hα-helixtrans-64.7-40.3179.5-52.70000112.7F45 E82 D83 C84 L85 S90 L91F45-S87 WeakPolarHBondContact CE2-O 3.33Å; E82-S87 PolarHBondContact OE2-OG 3.47Å; D83-S87 PolarHBondContact O-N 3.38Å; D83-S87 PolarHBondContact O-OG 3.29Å; C84-S87 PolarHBondContact O-N 2.93Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 3.21Å; S87-S90 PolarHBondContact O-N 2.83Å; S87-L91 PolarHBondContact O-N 2.85Å
88Y96.3Very high86.8Confident0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-63.2-41.7173.4-87.2-67.1000112.5F59 L62 E63 C84 L85 G86 L91 R92 T119 R122 I126F59-Y88 HydrophobicContact CD2-CE1 4.01Å; F59-Y88 AromaticContact CE2-CE1 3.88Å; F59-Y88 HydrophobicContact CE2-CE1 3.88Å; L62-Y88 VanDerWaalsContact C-OH 3.24Å; L62-Y88 HydrophobicContact CB-CD2 4.46Å; L62-Y88 HydrophobicContact CB-CE1 4.18Å; L62-Y88 HydrophobicContact CB-CE2 3.78Å; L62-Y88 HydrophobicContact CD1-CD1 4.4Å; L62-Y88 HydrophobicContact CD1-CE1 4.45Å; L62-Y88 HydrophobicContact CD1-CG 4.44Å; L62-Y88 PolarHBondContact O-OH 3.23Å; E63-Y88 WeakPolarHBondContact CA-OH 3.38Å; E63-Y88 PolarHBondContact N-OH 3Å; E63-Y88 PolarHBondContact OE2-OH 3.48Å; C84-Y88 VanDerWaalsContact O-CD2 3.29Å; C84-Y88 WeakPolarHBondContact O-CD2 3.16Å; C84-Y88 PolarHBondContact O-N 2.89Å; L85-Y88 PolarHBondContact O-N 2.82Å; G86-Y88 PolarHBondContact O-N 2.64Å; Y88-L91 PolarHBondContact O-N 3.12Å; Y88-R92 WeakPolarHBondContact O-CB 3.28Å; Y88-R92 PolarHBondContact O-N 2.89Å; Y88-T119 HydrophobicContact CD1-CG2 4.23Å; Y88-R122 HydrophobicContact CD1-CB 3.77Å; Y88-R122 HydrophobicContact CD2-CB 4.25Å; Y88-R122 HydrophobicContact CE1-CB 3.56Å; Y88-R122 HydrophobicContact CE1-CG 3.86Å; Y88-R122 HydrophobicContact CE2-CB 4.05Å; Y88-R122 HydrophobicContact CG-CB 4.11Å; Y88-I126 HydrophobicContact CD2-CD1 3.41Å; Y88-I126 VanDerWaalsContact CD2-CD1 3.41Å; Y88-I126 HydrophobicContact CE2-CD1 3.75Å; Y88-I126 HydrophobicContact CG-CD1 4.46Å
89N95.6Very high88.2Confident73 Ų7353.1 Ų53.139%0.3928%0.276SS..Hα-helixtrans-66.5-40.7177.8-71.9-22.2000111.9L85 G86 R92 A93L85-N89 WeakPolarHBondContact O-CB 3.17Å; L85-N89 PolarHBondContact O-N 3.37Å; L85-N89 PolarHBondContact O-ND2 3.43Å; G86-N89 PolarHBondContact O-N 2.95Å; N89-R92 WeakPolarHBondContact O-CB 3.09Å; N89-R92 PolarHBondContact O-N 3.32Å; N89-A93 WeakPolarHBondContact O-CB 3.15Å; N89-A93 PolarHBondContact O-N 3.08Å
90S95.6Very high89.5Confident40 Ų4057.5 Ų57.528%0.2830%0.295SS..Hα-helixtrans-64.5-42175.1-68.30000112.2F45 G86 S87 A93 G94F45-S90 VanDerWaalsContact CE2-CB 3.49Å; G86-S90 WeakPolarHBondContact O-CB 3.32Å; G86-S90 PolarHBondContact O-N 3.46Å; G86-S90 PolarHBondContact O-OG 2.81Å; S87-S90 PolarHBondContact O-N 2.83Å; S90-A93 PolarHBondContact O-N 3.12Å; S90-G94 PolarHBondContact O-N 2.94Å
91L96.2Very high90.8Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-61.4-46.2173-84.3177.8000111.5F45 A55 L58 F59 L62 S87 Y88 A93 G94 F95 T119F45-L91 HydrophobicContact CD2-CD2 3.92Å; F45-L91 HydrophobicContact CD2-CG 3.91Å; F45-L91 HydrophobicContact CE2-CD2 4.34Å; F45-L91 HydrophobicContact CE2-CG 3.89Å; A55-L91 HydrophobicContact CB-CD2 4.01Å; L58-L91 HydrophobicContact CD2-CD1 4.21Å; L58-L91 HydrophobicContact CD2-CD2 4.02Å; L58-L91 HydrophobicContact CD2-CG 4.12Å; L58-L91 HydrophobicContact CG-CD1 4.19Å; F59-L91 HydrophobicContact CB-CD1 4.44Å; L62-L91 HydrophobicContact CD1-CD1 3.59Å; S87-L91 PolarHBondContact O-N 2.85Å; Y88-L91 PolarHBondContact O-N 3.12Å; L91-A93 PolarHBondContact O-N 3.33Å; L91-G94 PolarHBondContact O-N 2.87Å; L91-F95 HydrophobicContact CD2-CE2 4.41Å; L91-F95 WeakPolarHBondContact O-CD2 3.21Å; L91-F95 PolarHBondContact O-N 2.76Å; L91-T119 HydrophobicContact CB-CG2 3.83Å; L91-T119 HydrophobicContact CD1-CG2 4.36Å
92R95.7Very high91.4Very high89 Ų8949.8 Ų49.834%0.33629%0.285SS..Hα-helixtrans-56.8-51176.9-178.4-169169.9161.12.1111.1Y88 N89 G94 F95 D96 T119 A120Y88-R92 WeakPolarHBondContact O-CB 3.28Å; Y88-R92 PolarHBondContact O-N 2.89Å; N89-R92 WeakPolarHBondContact O-CB 3.09Å; N89-R92 PolarHBondContact O-N 3.32Å; R92-G94 VanDerWaalsContact C-N 3.26Å; R92-G94 PolarHBondContact O-N 2.85Å; R92-F95 PolarHBondContact O-N 2.85Å; R92-F95 VanDerWaalsContact O-N 3.13Å; R92-D96 IonicContact NE-OD2 3.28Å; R92-D96 WeakPolarHBondContact O-CB 3.44Å; R92-D96 PolarHBondContact O-N 3.29Å; R92-T119 WeakPolarHBondContact CA-OG1 3.44Å; R92-T119 WeakPolarHBondContact CB-OG1 3.41Å; R92-A120 HydrophobicContact CG-CB 4.41Å
93A95.4Very high92.1Very high56 Ų5649.2 Ų49.246%0.46329%0.29SS..Hα-helixtrans-59.5-39178.600000111.8N89 S90 L91 D96 S97N89-A93 WeakPolarHBondContact O-CB 3.15Å; N89-A93 PolarHBondContact O-N 3.08Å; S90-A93 PolarHBondContact O-N 3.12Å; L91-A93 PolarHBondContact O-N 3.33Å; A93-D96 PolarHBondContact O-N 3.03Å; A93-S97 PolarHBondContact O-N 3.46Å
94G95.7Very high92Very high1 Ų147.5 Ų47.51%0.0128%0.28CS..Hα-helixtrans-57.7-49.4172.200000112.9V44 S90 L91 R92 S97V44-G94 WeakPolarHBondContact O-CA 3.41Å; S90-G94 PolarHBondContact O-N 2.94Å; L91-G94 PolarHBondContact O-N 2.87Å; R92-G94 VanDerWaalsContact C-N 3.26Å; R92-G94 PolarHBondContact O-N 2.85Å; G94-S97 PolarHBondContact O-N 2.94Å; G94-S97 PolarHBondContact O-OG 2.88Å
95F95.5Very high91.8Very high0 Ų049.7 Ų49.70%030%0.296CS..Hα-helixtrans-69.8-32.9176.6-71.6-68.7000113.3L43 Y52 A55 L91 R92 S97 V98 F99 F111 T112 M115 R116L43-F95 HydrophobicContact CD2-CD1 3.61Å; L43-F95 HydrophobicContact CD2-CD2 4.06Å; L43-F95 HydrophobicContact CD2-CE1 3.37Å; L43-F95 HydrophobicContact CD2-CE2 3.83Å; L43-F95 HydrophobicContact CD2-CG 3.94Å; L43-F95 HydrophobicContact CD2-CZ 3.48Å; L43-F95 VanDerWaalsContact CD2-CZ 3.48Å; Y52-F95 HydrophobicContact CD1-CE1 4.4Å; Y52-F95 HydrophobicContact CE1-CE1 4.36Å; A55-F95 HydrophobicContact CB-CZ 4.05Å; L91-F95 HydrophobicContact CD2-CE2 4.41Å; L91-F95 WeakPolarHBondContact O-CD2 3.21Å; L91-F95 PolarHBondContact O-N 2.76Å; R92-F95 PolarHBondContact O-N 2.85Å; R92-F95 VanDerWaalsContact O-N 3.13Å; F95-S97 VanDerWaalsContact C-N 3.3Å; F95-S97 PolarHBondContact O-N 2.74Å; F95-V98 WeakPolarHBondContact O-CG2 3.33Å; F95-V98 PolarHBondContact O-N 2.95Å; F95-F99 PolarHBondContact O-N 3.1Å; F95-F99 VanDerWaalsContact O-N 3.15Å; F95-F111 HydrophobicContact CE1-CD1 4.22Å; F95-F111 AromaticContact CE1-CE1 3.69Å; F95-F111 HydrophobicContact CE1-CE1 3.69Å; F95-F111 HydrophobicContact CZ-CE1 4.03Å; F95-T112 HydrophobicContact CB-CG2 4.19Å; F95-T112 HydrophobicContact CD1-CG2 4.14Å; F95-T112 WeakPolarHBondContact O-CG2 3.29Å; F95-M115 HydrophobicContact CD1-CB 4.01Å; F95-M115 HydrophobicContact CD2-CB 3.72Å; F95-M115 HydrophobicContact CE1-CB 3.76Å; F95-M115 HydrophobicContact CE1-CG 4.08Å; F95-M115 HydrophobicContact CE2-CB 3.47Å; F95-M115 VanDerWaalsContact CE2-CB 3.47Å; F95-M115 HydrophobicContact CE2-CE 4.05Å; F95-M115 HydrophobicContact CE2-CG 4.15Å; F95-M115 HydrophobicContact CG-CB 4Å; F95-M115 HydrophobicContact CZ-CB 3.49Å; F95-M115 VanDerWaalsContact CZ-CB 3.49Å; F95-M115 HydrophobicContact CZ-CE 4.1Å; F95-M115 HydrophobicContact CZ-CG 3.75Å; F95-R116 HydrophobicContact CB-CG 3.38Å; F95-R116 HydrophobicContact CG-CG 4.45Å
96D93.8Very high91.5Very high55 Ų5554 Ų5429%0.29432%0.319SS..Hα-helixtrans-60.7-40.5171.9-76.4-33.9000110.8R92 A93 V98 F99 R116R92-D96 IonicContact NE-OD2 3.28Å; R92-D96 WeakPolarHBondContact O-CB 3.44Å; R92-D96 PolarHBondContact O-N 3.29Å; A93-D96 PolarHBondContact O-N 3.03Å; D96-V98 VanDerWaalsContact C-N 3.27Å; D96-V98 PolarHBondContact O-N 2.69Å; D96-F99 PolarHBondContact O-N 2.81Å; D96-R116 IonicContact OD1-CZ 2.92Å; D96-R116 IonicContact OD1-NE 3.11Å; D96-R116 PolarHBondContact OD1-NE 3.23Å; D96-R116 IonicContact OD1-NH2 2.66Å; D96-R116 PolarHBondContact OD1-NH2 2.94Å
97S92.3Very high91.3Very high76 Ų7653.8 Ų53.853%0.53131%0.311SS..Hα-helixtrans-65.3-26.4-178.2770000114.4A93 G94 F95A93-S97 PolarHBondContact O-N 3.46Å; G94-S97 PolarHBondContact O-N 2.94Å; G94-S97 PolarHBondContact O-OG 2.88Å; F95-S97 VanDerWaalsContact C-N 3.3Å; F95-S97 PolarHBondContact O-N 2.74Å
98V92.8Very high91.1Very high14 Ų1454.2 Ų54.29%0.08531%0.313CS..Hα-helixtrans-102-15.3-177.5-60.70000113K42 L43 Y52 F95 D96 N100 N101 L104 T112K42-V98 WeakPolarHBondContact O-CG1 3.21Å; L43-V98 HydrophobicContact CB-CG1 4.2Å; Y52-V98 HydrophobicContact CE1-CG2 4.4Å; Y52-V98 WeakPolarHBondContact OH-CG2 3.43Å; F95-V98 WeakPolarHBondContact O-CG2 3.33Å; F95-V98 PolarHBondContact O-N 2.95Å; D96-V98 VanDerWaalsContact C-N 3.27Å; D96-V98 PolarHBondContact O-N 2.69Å; V98-N100 VanDerWaalsContact C-N 3.25Å; V98-N100 PolarHBondContact O-N 3.11Å; V98-N100 VanDerWaalsContact O-N 3.16Å; V98-N101 WeakPolarHBondContact O-CB 3.35Å; V98-N101 PolarHBondContact O-N 3.14Å; V98-L104 WeakPolarHBondContact O-CD1 3.46Å; V98-T112 HydrophobicContact CG2-CG2 3.93Å
99F87.1Confident90.8Very high60 Ų6057 Ų5726%0.26333%0.327SS..Hα-helixtrans-55.7-36.4-173.3175.6-110.5000114.3F95 D96 N101 L109 T112 V113F95-F99 PolarHBondContact O-N 3.1Å; F95-F99 VanDerWaalsContact O-N 3.15Å; D96-F99 PolarHBondContact O-N 2.81Å; F99-N101 VanDerWaalsContact C-N 3.31Å; F99-L109 HydrophobicContact CD2-CD1 4.14Å; F99-L109 HydrophobicContact CE2-CD1 4.01Å; F99-T112 HydrophobicContact CB-CG2 4.13Å; F99-T112 HydrophobicContact CD2-CG2 4.23Å; F99-V113 HydrophobicContact CD2-CG2 4.12Å; F99-V113 HydrophobicContact CE2-CG2 3.46Å; F99-V113 VanDerWaalsContact CE2-CG2 3.46Å; F99-V113 HydrophobicContact CZ-CG2 4.45Å
100N83Confident90.6Very high136 Ų13657.4 Ų57.473%0.72732%0.324SS*.THydrogen-bonded Turntrans-90.810.2179.4-67.9-27.1000113.2V98 P102V98-N100 VanDerWaalsContact C-N 3.25Å; V98-N100 PolarHBondContact O-N 3.11Å; V98-N100 VanDerWaalsContact O-N 3.16Å; N100-P102 VanDerWaalsContact O-CD 3.25Å; N100-P102 WeakPolarHBondContact O-CD 3.32Å
101N86.7Confident90.4Very high66 Ų6655.5 Ų55.535%0.35331%0.311SS..  trans-75.1114.6-179.1-173.7-8.9000110.1V98 F99 T103 L104V98-N101 WeakPolarHBondContact O-CB 3.35Å; V98-N101 PolarHBondContact O-N 3.14Å; F99-N101 VanDerWaalsContact C-N 3.31Å; N101-T103 PolarHBondContact ND2-OG1 2.86Å; N101-T103 PolarHBondContact O-N 3.16Å; N101-T103 VanDerWaalsContact O-N 3.11Å; N101-T103 PolarHBondContact OD1-N 3.39Å; N101-T103 VanDerWaalsContact OD1-N 3.1Å; N101-T103 PolarHBondContact OD1-OG1 2.83Å; N101-L104 HydrophobicContact CB-CD1 4.25Å; N101-L104 HydrophobicContact CB-CG 4.12Å; N101-L104 PolarHBondContact O-N 3.17Å
102P82Confident90.3Very high126 Ų12655.5 Ų55.582%0.81831%0.311SS*.THydrogen-bonded Turntrans-68-11.1-176.629.4-36.9000113.6N100N100-P102 VanDerWaalsContact O-CD 3.25Å; N100-P102 WeakPolarHBondContact O-CD 3.32Å
103T87.2Confident90.1Very high113 Ų11352.7 Ų52.769%0.69330%0.303SS*.THydrogen-bonded Turntrans-86.8-3.7-179.4700000114N101N101-T103 PolarHBondContact ND2-OG1 2.86Å; N101-T103 PolarHBondContact O-N 3.16Å; N101-T103 VanDerWaalsContact O-N 3.11Å; N101-T103 PolarHBondContact OD1-N 3.39Å; N101-T103 VanDerWaalsContact OD1-N 3.1Å; N101-T103 PolarHBondContact OD1-OG1 2.83Å
104L86.2Confident90Very high27 Ų2750.4 Ų50.414%0.14128%0.282CS..  trans-69.2135.3179.7-67.2174.2000111.1Y52 V98 N101 E108Y52-L104 WeakPolarHBondContact OH-CD2 3.41Å; V98-L104 WeakPolarHBondContact O-CD1 3.46Å; N101-L104 HydrophobicContact CB-CD1 4.25Å; N101-L104 HydrophobicContact CB-CG 4.12Å; N101-L104 PolarHBondContact O-N 3.17Å; L104-E108 HydrophobicContact CB-CB 4.23Å; L104-E108 HydrophobicContact CD2-CB 3.97Å
105S88.3Confident90Very high52 Ų5250.3 Ų50.336%0.36428%0.282SS..  trans-63.9157.2166.6650000110.8N107 E108 L109S105-N107 PolarHBondContact O-N 2.75Å; S105-E108 WeakPolarHBondContact CB-OE2 3.41Å; S105-E108 PolarHBondContact N-OE2 3.11Å; S105-E108 PolarHBondContact O-N 3.09Å; S105-E108 WeakPolarHBondContact OG-CB 3.43Å; S105-E108 VanDerWaalsContact OG-CG 3.25Å; S105-E108 WeakPolarHBondContact OG-CG 3.38Å; S105-E108 PolarHBondContact OG-N 2.92Å; S105-E108 PolarHBondContact OG-OE2 2.77Å; S105-L109 PolarHBondContact O-N 2.67Å
106N88.1Confident90Very high116 Ų11653.4 Ų53.462%0.6229%0.293SS*.Hα-helixtrans-53.5-40.5177.3-73.2-13.1000112.4L109 Y110N106-L109 PolarHBondContact O-N 3.29Å; N106-Y110 HydrophobicContact CB-CE2 4.19Å; N106-Y110 WeakPolarHBondContact O-CD2 3.3Å; N106-Y110 PolarHBondContact O-N 2.91Å
107N88.8Confident90Very high23 Ų2352 Ų5212%0.12329%0.286CS..Hα-helixtrans-64.4-41.8177.4-65.9-36.9000111.7S8 I11 S105 Y110 F111 L164S8-N107 PolarHBondContact OG-OD1 2.81Å; I11-N107 HydrophobicContact CD1-CB 4.09Å; S105-N107 PolarHBondContact O-N 2.75Å; N107-Y110 PolarHBondContact O-N 3.36Å; N107-F111 WeakPolarHBondContact O-CB 3.27Å; N107-F111 PolarHBondContact O-N 3.2Å; N107-L164 HydrophobicContact CB-CD1 4.37Å; N107-L164 WeakPolarHBondContact O-CD1 3.46Å
108E90.9Very high90.2Very high15 Ų1548.4 Ų48.47%0.0726%0.261CS..Hα-helixtrans-69.2-35.9177.8-74.4170.9136.800112.5L39 I40 G41 Y52 L104 S105 T112L39-E108 HydrophobicContact CD2-CG 3.64Å; I40-E108 VanDerWaalsContact CG1-OE1 3.26Å; I40-E108 WeakPolarHBondContact CG1-OE1 3.25Å; I40-E108 PolarHBondContact N-OE1 2.72Å; G41-E108 PolarHBondContact N-OE1 2.92Å; Y52-E108 HydrophobicContact CD2-CG 4.39Å; Y52-E108 HydrophobicContact CE2-CB 4.03Å; Y52-E108 HydrophobicContact CE2-CG 4.06Å; L104-E108 HydrophobicContact CB-CB 4.23Å; L104-E108 HydrophobicContact CD2-CB 3.97Å; S105-E108 WeakPolarHBondContact CB-OE2 3.41Å; S105-E108 PolarHBondContact N-OE2 3.11Å; S105-E108 PolarHBondContact O-N 3.09Å; S105-E108 WeakPolarHBondContact OG-CB 3.43Å; S105-E108 VanDerWaalsContact OG-CG 3.25Å; S105-E108 WeakPolarHBondContact OG-CG 3.38Å; S105-E108 PolarHBondContact OG-N 2.92Å; S105-E108 PolarHBondContact OG-OE2 2.77Å; E108-T112 VanDerWaalsContact O-CB 3.24Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-OG1 2.83Å
109L90.7Very high90.4Very high59 Ų5947.8 Ų47.831%0.30926%0.257SS..Hα-helixtrans-62.3-51.5172.7179.863.8000110.7F99 S105 N106 F111 T112 V113F99-L109 HydrophobicContact CD2-CD1 4.14Å; F99-L109 HydrophobicContact CE2-CD1 4.01Å; S105-L109 PolarHBondContact O-N 2.67Å; N106-L109 PolarHBondContact O-N 3.29Å; L109-F111 PolarHBondContact O-N 3Å; L109-T112 WeakPolarHBondContact O-CB 3.41Å; L109-T112 PolarHBondContact O-N 3.38Å; L109-V113 WeakPolarHBondContact O-CG2 3.31Å; L109-V113 PolarHBondContact O-N 2.72Å
110Y90.1Very high90.8Very high82 Ų8245.1 Ų45.132%0.32225%0.246SC..Hα-helixtrans-63.4-41.9178-66.6-47.5000112.2N106 N107 T112 V113 Y114 N162N106-Y110 HydrophobicContact CB-CE2 4.19Å; N106-Y110 WeakPolarHBondContact O-CD2 3.3Å; N106-Y110 PolarHBondContact O-N 2.91Å; N107-Y110 PolarHBondContact O-N 3.36Å; Y110-T112 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 3.45Å; Y110-V113 PolarHBondContact O-N 3.32Å; Y110-Y114 VanDerWaalsContact O-CD2 3.24Å; Y110-Y114 WeakPolarHBondContact O-CD2 3.33Å; Y110-Y114 PolarHBondContact O-N 3.45Å; Y110-N162 HydrophobicContact CD1-CB 4.02Å; Y110-N162 HydrophobicContact CD2-CB 4.46Å; Y110-N162 HydrophobicContact CE1-CB 3.86Å; Y110-N162 HydrophobicContact CE2-CB 4.32Å; Y110-N162 HydrophobicContact CG-CB 4.34Å
111F92.7Very high91.5Very high0 Ų038.7 Ų38.70%021%0.211CC..Hα-helixtrans-56.3-48.8172.8174.7-95.8000110.9L15 L39 Y52 L56 F95 N107 L109 V113 Y114 M115 F168L15-F111 HydrophobicContact CD1-CD2 4.3Å; L15-F111 HydrophobicContact CD2-CD2 4.12Å; L15-F111 HydrophobicContact CD2-CE2 3.96Å; L39-F111 HydrophobicContact CD1-CD1 4.06Å; L39-F111 HydrophobicContact CD1-CD2 3.58Å; L39-F111 HydrophobicContact CD1-CE1 4.11Å; L39-F111 HydrophobicContact CD1-CE2 3.69Å; L39-F111 HydrophobicContact CD1-CG 3.8Å; L39-F111 HydrophobicContact CD1-CZ 3.95Å; Y52-F111 HydrophobicContact CD1-CE1 4.49Å; Y52-F111 AromaticContact CD2-CD1 3.59Å; Y52-F111 HydrophobicContact CD2-CD1 3.59Å; Y52-F111 AromaticContact CD2-CE1 3.66Å; Y52-F111 HydrophobicContact CD2-CE1 3.66Å; Y52-F111 AromaticContact CE2-CD1 3.94Å; Y52-F111 HydrophobicContact CE2-CD1 3.94Å; Y52-F111 HydrophobicContact CE2-CE1 4.33Å; Y52-F111 HydrophobicContact CG-CD1 4.19Å; Y52-F111 AromaticContact CG-CE1 3.76Å; Y52-F111 HydrophobicContact CG-CE1 3.76Å; L56-F111 HydrophobicContact CB-CZ 4.41Å; L56-F111 HydrophobicContact CD1-CE2 4.19Å; L56-F111 HydrophobicContact CD1-CZ 4.41Å; F95-F111 HydrophobicContact CE1-CD1 4.22Å; F95-F111 AromaticContact CE1-CE1 3.69Å; F95-F111 HydrophobicContact CE1-CE1 3.69Å; F95-F111 HydrophobicContact CZ-CE1 4.03Å; N107-F111 WeakPolarHBondContact O-CB 3.27Å; N107-F111 PolarHBondContact O-N 3.2Å; L109-F111 PolarHBondContact O-N 3Å; F111-V113 PolarHBondContact O-N 3.47Å; F111-Y114 PolarHBondContact O-N 3.19Å; F111-M115 HydrophobicContact CD1-CG 4.19Å; F111-M115 HydrophobicContact CD2-CG 4.25Å; F111-M115 HydrophobicContact CE1-CG 3.86Å; F111-M115 HydrophobicContact CE2-CG 3.89Å; F111-M115 HydrophobicContact CE2-SD 4.24Å; F111-M115 HydrophobicContact CG-CG 4.37Å; F111-M115 HydrophobicContact CZ-CG 3.68Å; F111-M115 HydrophobicContact CZ-SD 4.27Å; F111-M115 WeakPolarHBondContact O-CB 3.46Å; F111-M115 VanDerWaalsContact O-CG 3.27Å; F111-M115 WeakPolarHBondContact O-CG 3.31Å; F111-M115 PolarHBondContact O-N 3.27Å; F111-F168 HydrophobicContact CD2-CE1 4.35Å; F111-F168 AromaticContact CD2-CZ 3.81Å; F111-F168 HydrophobicContact CD2-CZ 3.81Å
112T93Very high91.9Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-58.8-45.9177.4-62.80000111.2Y52 F95 V98 F99 E108 L109 Y110 Y114 M115 R116Y52-T112 PolarHBondContact OH-OG1 2.93Å; F95-T112 HydrophobicContact CB-CG2 4.19Å; F95-T112 HydrophobicContact CD1-CG2 4.14Å; F95-T112 WeakPolarHBondContact O-CG2 3.29Å; V98-T112 HydrophobicContact CG2-CG2 3.93Å; F99-T112 HydrophobicContact CB-CG2 4.13Å; F99-T112 HydrophobicContact CD2-CG2 4.23Å; E108-T112 VanDerWaalsContact O-CB 3.24Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-OG1 2.83Å; L109-T112 WeakPolarHBondContact O-CB 3.41Å; L109-T112 PolarHBondContact O-N 3.38Å; Y110-T112 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 3.45Å; T112-Y114 PolarHBondContact O-N 2.97Å; T112-M115 PolarHBondContact O-N 3.19Å; T112-R116 HydrophobicContact CG2-CG 4.37Å; T112-R116 WeakPolarHBondContact O-CG 3.5Å; T112-R116 PolarHBondContact O-N 2.96Å
113V92.1Very high92.6Very high29 Ų2929.6 Ų29.618%0.17616%0.157CC..Hα-helixtrans-55.3-52.6176.5170.60000111.5F99 L109 Y110 F111 M115 R116 I117 T159F99-V113 HydrophobicContact CD2-CG2 4.12Å; F99-V113 HydrophobicContact CE2-CG2 3.46Å; F99-V113 VanDerWaalsContact CE2-CG2 3.46Å; F99-V113 HydrophobicContact CZ-CG2 4.45Å; L109-V113 WeakPolarHBondContact O-CG2 3.31Å; L109-V113 PolarHBondContact O-N 2.72Å; Y110-V113 PolarHBondContact O-N 3.32Å; F111-V113 PolarHBondContact O-N 3.47Å; V113-M115 PolarHBondContact O-N 3.31Å; V113-R116 PolarHBondContact O-N 2.73Å; V113-I117 HydrophobicContact CG1-CD1 3.91Å; V113-I117 WeakPolarHBondContact O-CG1 3.3Å; V113-I117 PolarHBondContact O-N 3.11Å; V113-I117 VanDerWaalsContact O-N 3.12Å; V113-T159 HydrophobicContact CG1-CG2 3.9Å
114Y94Very high93.1Very high8 Ų826.7 Ų26.73%0.03114%0.135CC..Hα-helixtrans-63.5-43.9-178.6-81.7-67.6000112.3Y110 F111 T112 R116 I117 F118 N162 T165 F168Y110-Y114 VanDerWaalsContact O-CD2 3.24Å; Y110-Y114 WeakPolarHBondContact O-CD2 3.33Å; Y110-Y114 PolarHBondContact O-N 3.45Å; F111-Y114 PolarHBondContact O-N 3.19Å; T112-Y114 PolarHBondContact O-N 2.97Å; Y114-R116 VanDerWaalsContact C-N 3.34Å; Y114-R116 PolarHBondContact O-N 3.1Å; Y114-I117 PolarHBondContact O-N 2.67Å; Y114-I117 VanDerWaalsContact O-N 3.15Å; Y114-F118 HydrophobicContact CD1-CE1 4.41Å; Y114-F118 HydrophobicContact CD1-CE2 4.22Å; Y114-F118 AromaticContact CD1-CZ 3.74Å; Y114-F118 HydrophobicContact CD1-CZ 3.74Å; Y114-F118 HydrophobicContact CG-CE2 4.45Å; Y114-F118 HydrophobicContact CG-CZ 4.41Å; Y114-F118 VanDerWaalsContact O-CD2 3.28Å; Y114-F118 WeakPolarHBondContact O-CD2 3.32Å; Y114-F118 VanDerWaalsContact O-CG 3.28Å; Y114-F118 WeakPolarHBondContact O-CG 3.27Å; Y114-F118 PolarHBondContact O-N 2.64Å; Y114-N162 WeakPolarHBondContact CE2-ND2 3.5Å; Y114-N162 PolarHBondContact OH-ND2 3.43Å; Y114-T165 WeakPolarHBondContact OH-CA 3.33Å; Y114-T165 WeakPolarHBondContact OH-CB 3.32Å; Y114-T165 PolarHBondContact OH-OG1 3.34Å; Y114-F168 HydrophobicContact CD1-CB 4.14Å; Y114-F168 HydrophobicContact CD1-CD2 4.18Å; Y114-F168 HydrophobicContact CD1-CG 4.19Å; Y114-F168 AromaticContact CD2-CD2 3.23Å; Y114-F168 HydrophobicContact CD2-CD2 3.23Å; Y114-F168 AromaticContact CD2-CE2 3.34Å; Y114-F168 HydrophobicContact CD2-CE2 3.34Å; Y114-F168 HydrophobicContact CD2-CG 4.02Å; Y114-F168 HydrophobicContact CD2-CZ 4.17Å; Y114-F168 HydrophobicContact CE1-CB 4.42Å; Y114-F168 AromaticContact CE2-CD2 3.68Å; Y114-F168 HydrophobicContact CE2-CD2 3.68Å; Y114-F168 HydrophobicContact CE2-CE2 4.08Å; Y114-F168 HydrophobicContact CG-CB 4.28Å; Y114-F168 HydrophobicContact CG-CD1 4.37Å; Y114-F168 AromaticContact CG-CD2 3.52Å; Y114-F168 HydrophobicContact CG-CD2 3.52Å; Y114-F168 AromaticContact CG-CE2 3.8Å; Y114-F168 HydrophobicContact CG-CE2 3.8Å; Y114-F168 AromaticContact CG-CG 3.82Å; Y114-F168 HydrophobicContact CG-CG 3.82Å; Y114-F168 HydrophobicContact CG-CZ 4.3Å
115M95Very high93.6Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-65.1-36.8179.8-66.8-56.8-66.100112.3F19 L56 F59 F95 F111 T112 V113 I117 F118 T119 F168F19-M115 HydrophobicContact CZ-SD 4.23Å; L56-M115 HydrophobicContact CD1-CE 4.35Å; L56-M115 HydrophobicContact CD1-SD 4.34Å; F59-M115 HydrophobicContact CB-CE 3.78Å; F59-M115 HydrophobicContact CD1-CE 4.25Å; F59-M115 HydrophobicContact CD2-CE 3.75Å; F59-M115 HydrophobicContact CE2-CE 4.43Å; F59-M115 HydrophobicContact CG-CE 3.66Å; F95-M115 HydrophobicContact CD1-CB 4.01Å; F95-M115 HydrophobicContact CD2-CB 3.72Å; F95-M115 HydrophobicContact CE1-CB 3.76Å; F95-M115 HydrophobicContact CE1-CG 4.08Å; F95-M115 HydrophobicContact CE2-CB 3.47Å; F95-M115 VanDerWaalsContact CE2-CB 3.47Å; F95-M115 HydrophobicContact CE2-CE 4.05Å; F95-M115 HydrophobicContact CE2-CG 4.15Å; F95-M115 HydrophobicContact CG-CB 4Å; F95-M115 HydrophobicContact CZ-CB 3.49Å; F95-M115 VanDerWaalsContact CZ-CB 3.49Å; F95-M115 HydrophobicContact CZ-CE 4.1Å; F95-M115 HydrophobicContact CZ-CG 3.75Å; F111-M115 HydrophobicContact CD1-CG 4.19Å; F111-M115 HydrophobicContact CD2-CG 4.25Å; F111-M115 HydrophobicContact CE1-CG 3.86Å; F111-M115 HydrophobicContact CE2-CG 3.89Å; F111-M115 HydrophobicContact CE2-SD 4.24Å; F111-M115 HydrophobicContact CG-CG 4.37Å; F111-M115 HydrophobicContact CZ-CG 3.68Å; F111-M115 HydrophobicContact CZ-SD 4.27Å; F111-M115 WeakPolarHBondContact O-CB 3.46Å; F111-M115 VanDerWaalsContact O-CG 3.27Å; F111-M115 WeakPolarHBondContact O-CG 3.31Å; F111-M115 PolarHBondContact O-N 3.27Å; T112-M115 PolarHBondContact O-N 3.19Å; V113-M115 PolarHBondContact O-N 3.31Å; M115-I117 VanDerWaalsContact C-N 3.34Å; M115-F118 PolarHBondContact O-N 3.08Å; M115-T119 WeakPolarHBondContact O-CB 3.41Å; M115-T119 VanDerWaalsContact O-CG2 3.23Å; M115-T119 WeakPolarHBondContact O-CG2 3.47Å; M115-T119 PolarHBondContact O-N 2.86Å; M115-T119 PolarHBondContact O-OG1 3.21Å; M115-F168 HydrophobicContact SD-CE1 4.5Å
116R94.6Very high94Very high64 Ų6422.9 Ų22.924%0.24211%0.111CC..Hα-helixtrans-58.6-46.6170.9-70.4169.272.8-150.13111.4F95 D96 T112 V113 Y114 T119 A120F95-R116 HydrophobicContact CB-CG 3.38Å; F95-R116 HydrophobicContact CG-CG 4.45Å; D96-R116 IonicContact OD1-CZ 2.92Å; D96-R116 IonicContact OD1-NE 3.11Å; D96-R116 PolarHBondContact OD1-NE 3.23Å; D96-R116 IonicContact OD1-NH2 2.66Å; D96-R116 PolarHBondContact OD1-NH2 2.94Å; T112-R116 HydrophobicContact CG2-CG 4.37Å; T112-R116 WeakPolarHBondContact O-CG 3.5Å; T112-R116 PolarHBondContact O-N 2.96Å; V113-R116 PolarHBondContact O-N 2.73Å; Y114-R116 VanDerWaalsContact C-N 3.34Å; Y114-R116 PolarHBondContact O-N 3.1Å; R116-T119 PolarHBondContact O-OG1 2.93Å; R116-T119 VanDerWaalsContact O-OG1 3.1Å; R116-A120 WeakPolarHBondContact O-CB 3.38Å; R116-A120 PolarHBondContact O-N 3.46Å
117I94.6Very high94.4Very high26 Ų2620 Ų2013%0.13310%0.1CC..Hα-helixtrans-65.3-45-178.2-68171000110.8V113 Y114 M115 S121 Q156 L157 T159V113-I117 HydrophobicContact CG1-CD1 3.91Å; V113-I117 WeakPolarHBondContact O-CG1 3.3Å; V113-I117 PolarHBondContact O-N 3.11Å; V113-I117 VanDerWaalsContact O-N 3.12Å; Y114-I117 PolarHBondContact O-N 2.67Å; Y114-I117 VanDerWaalsContact O-N 3.15Å; M115-I117 VanDerWaalsContact C-N 3.34Å; I117-S121 VanDerWaalsContact O-CB 3.26Å; I117-S121 WeakPolarHBondContact O-CB 3.26Å; I117-S121 PolarHBondContact O-N 3.15Å; I117-S121 PolarHBondContact O-OG 2.54Å; I117-Q156 WeakPolarHBondContact CG2-O 3.47Å; I117-L157 HydrophobicContact CG2-CD2 3.89Å; I117-T159 HydrophobicContact CD1-CG2 3.87Å; I117-T159 WeakPolarHBondContact CD1-OG1 3.44Å
118F96Very high94.7Very high1 Ų119.4 Ų19.40%0.00410%0.097CC..Hα-helixtrans-68.7-44.5-179-60-29.7000112.6F59 Y114 M115 A120 S121 R122 L157 F168 I171 I175F59-F118 HydrophobicContact CE2-CB 3.89Å; F59-F118 HydrophobicContact CZ-CB 3.95Å; Y114-F118 HydrophobicContact CD1-CE1 4.41Å; Y114-F118 HydrophobicContact CD1-CE2 4.22Å; Y114-F118 AromaticContact CD1-CZ 3.74Å; Y114-F118 HydrophobicContact CD1-CZ 3.74Å; Y114-F118 HydrophobicContact CG-CE2 4.45Å; Y114-F118 HydrophobicContact CG-CZ 4.41Å; Y114-F118 VanDerWaalsContact O-CD2 3.28Å; Y114-F118 WeakPolarHBondContact O-CD2 3.32Å; Y114-F118 VanDerWaalsContact O-CG 3.28Å; Y114-F118 WeakPolarHBondContact O-CG 3.27Å; Y114-F118 PolarHBondContact O-N 2.64Å; M115-F118 PolarHBondContact O-N 3.08Å; F118-A120 VanDerWaalsContact C-N 3.35Å; F118-A120 PolarHBondContact O-N 3.26Å; F118-S121 PolarHBondContact O-N 3.3Å; F118-R122 WeakPolarHBondContact O-CB 3.37Å; F118-R122 WeakPolarHBondContact O-CG 3.25Å; F118-R122 PolarHBondContact O-N 3.49Å; F118-L157 HydrophobicContact CD1-CD2 4.31Å; F118-L157 HydrophobicContact CE1-CD2 4.34Å; F118-F168 HydrophobicContact CE2-CB 4.02Å; F118-F168 AromaticContact CE2-CD1 3.61Å; F118-F168 HydrophobicContact CE2-CD1 3.61Å; F118-F168 HydrophobicContact CE2-CE1 4.34Å; F118-F168 HydrophobicContact CE2-CG 4.09Å; F118-F168 HydrophobicContact CZ-CB 3.92Å; F118-F168 HydrophobicContact CZ-CD1 4.37Å; F118-F168 HydrophobicContact CZ-CG 4.42Å; F118-I171 HydrophobicContact CD2-CG2 4.09Å; F118-I171 HydrophobicContact CE2-CG2 3.52Å; F118-I171 HydrophobicContact CZ-CG2 3.77Å; F118-I175 HydrophobicContact CB-CD1 4.1Å; F118-I175 HydrophobicContact CD1-CD1 3.59Å; F118-I175 HydrophobicContact CE1-CD1 4.34Å; F118-I175 HydrophobicContact CG-CD1 4.03Å
119T96.5Very high94.9Very high0 Ų018.7 Ų18.70%09%0.093CC..Hα-helixtrans-64.1-40.5176.853.70000111.6F59 Y88 L91 R92 M115 R116 G123F59-T119 HydrophobicContact CD2-CG2 4.09Å; F59-T119 HydrophobicContact CE2-CG2 4.33Å; Y88-T119 HydrophobicContact CD1-CG2 4.23Å; L91-T119 HydrophobicContact CB-CG2 3.83Å; L91-T119 HydrophobicContact CD1-CG2 4.36Å; R92-T119 WeakPolarHBondContact CA-OG1 3.44Å; R92-T119 WeakPolarHBondContact CB-OG1 3.41Å; M115-T119 WeakPolarHBondContact O-CB 3.41Å; M115-T119 VanDerWaalsContact O-CG2 3.23Å; M115-T119 WeakPolarHBondContact O-CG2 3.47Å; M115-T119 PolarHBondContact O-N 2.86Å; M115-T119 PolarHBondContact O-OG1 3.21Å; R116-T119 PolarHBondContact O-OG1 2.93Å; R116-T119 VanDerWaalsContact O-OG1 3.1Å; T119-G123 PolarHBondContact O-N 2.8Å
120A95.8Very high95.1Very high5 Ų517.3 Ų17.34%0.0418%0.084CC..Hα-helixtrans-63.9-44.9173.700000113R92 R116 F118 G123 Q124R92-A120 HydrophobicContact CG-CB 4.41Å; R116-A120 WeakPolarHBondContact O-CB 3.38Å; R116-A120 PolarHBondContact O-N 3.46Å; F118-A120 VanDerWaalsContact C-N 3.35Å; F118-A120 PolarHBondContact O-N 3.26Å; A120-G123 PolarHBondContact O-N 2.97Å; A120-Q124 WeakPolarHBondContact O-CG 3.27Å; A120-Q124 PolarHBondContact O-N 2.81Å; A120-Q124 PolarHBondContact O-NE2 3.02Å
121S97.2Very high95.2Very high0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-64.4-45.8-180-60.60000111.1I117 F118 Q124 L125I117-S121 VanDerWaalsContact O-CB 3.26Å; I117-S121 WeakPolarHBondContact O-CB 3.26Å; I117-S121 PolarHBondContact O-N 3.15Å; I117-S121 PolarHBondContact O-OG 2.54Å; F118-S121 PolarHBondContact O-N 3.3Å; S121-Q124 PolarHBondContact O-N 3.26Å; S121-L125 WeakPolarHBondContact O-CG 3.49Å; S121-L125 PolarHBondContact O-N 3.08Å
122R96.9Very high95.2Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-64-44.7176.6-75.6-72.6-178.1-132.26.2111.9E63 Y66 Y88 F118 Q124 L125 I126 E178E63-R122 IonicContact OE1-CZ 3.61Å; E63-R122 IonicContact OE1-NE 3.68Å; E63-R122 PolarHBondContact OE1-NE 2.64Å; E63-R122 IonicContact OE1-NH2 2.83Å; E63-R122 PolarHBondContact OE1-NH2 3.16Å; E63-R122 IonicContact OE2-CZ 2.96Å; E63-R122 IonicContact OE2-NE 2.7Å; E63-R122 PolarHBondContact OE2-NE 2.9Å; E63-R122 IonicContact OE2-NH2 2.73Å; Y66-R122 PolarHBondContact OH-NH1 3.3Å; Y88-R122 HydrophobicContact CD1-CB 3.77Å; Y88-R122 HydrophobicContact CD2-CB 4.25Å; Y88-R122 HydrophobicContact CE1-CB 3.56Å; Y88-R122 HydrophobicContact CE1-CG 3.86Å; Y88-R122 HydrophobicContact CE2-CB 4.05Å; Y88-R122 HydrophobicContact CG-CB 4.11Å; F118-R122 WeakPolarHBondContact O-CB 3.37Å; F118-R122 WeakPolarHBondContact O-CG 3.25Å; F118-R122 PolarHBondContact O-N 3.49Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.43Å; R122-L125 PolarHBondContact O-N 3.46Å; R122-I126 VanDerWaalsContact O-CG1 3.31Å; R122-I126 WeakPolarHBondContact O-CG1 3.42Å; R122-I126 PolarHBondContact O-N 3.3Å; R122-E178 IonicContact CZ-OE2 3.11Å; R122-E178 IonicContact NH1-OE2 2.66Å; R122-E178 PolarHBondContact NH1-OE2 2.9Å; R122-E178 IonicContact NH2-OE2 2.71Å
123G96.7Very high95.2Very high2 Ų218.6 Ų18.62%0.0219%0.092CC..Hα-helixtrans-57.7-42.2175.100000113L85 T119 A120 S127L85-G123 VanDerWaalsContact CD1-O 3.25Å; L85-G123 WeakPolarHBondContact CD1-O 3.49Å; T119-G123 PolarHBondContact O-N 2.8Å; A120-G123 PolarHBondContact O-N 2.97Å; G123-S127 WeakPolarHBondContact O-CB 3.38Å; G123-S127 PolarHBondContact O-N 3.01Å; G123-S127 PolarHBondContact O-OG 3.02Å
124Q96.9Very high95.1Very high51 Ų5124.3 Ų24.324%0.23812%0.117CC..Hα-helixtrans-66.4-42.7175.7-73.9169.549.600112.6A120 S121 R122 S127 L128 I153A120-Q124 WeakPolarHBondContact O-CG 3.27Å; A120-Q124 PolarHBondContact O-N 2.81Å; A120-Q124 PolarHBondContact O-NE2 3.02Å; S121-Q124 PolarHBondContact O-N 3.26Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.43Å; Q124-S127 WeakPolarHBondContact O-CB 3.46Å; Q124-S127 PolarHBondContact O-N 2.96Å; Q124-L128 WeakPolarHBondContact O-CB 3.34Å; Q124-L128 PolarHBondContact O-N 3.39Å; Q124-I153 HydrophobicContact CB-CD1 3.82Å; Q124-I153 HydrophobicContact CB-CG1 3.93Å
125L97.7Very high94.8Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-63-43.7175.8-74167.4000112.1Y66 S121 R122 S127 L128 Y129 L150 I153 I175 V179 L182Y66-L125 HydrophobicContact CE2-CB 4.24Å; Y66-L125 WeakPolarHBondContact OH-CB 3.17Å; Y66-L125 WeakPolarHBondContact OH-CD1 3.43Å; S121-L125 WeakPolarHBondContact O-CG 3.49Å; S121-L125 PolarHBondContact O-N 3.08Å; R122-L125 PolarHBondContact O-N 3.46Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3.2Å; L125-L128 PolarHBondContact O-N 3.01Å; L125-Y129 HydrophobicContact CB-CE2 4.32Å; L125-Y129 WeakPolarHBondContact O-CD2 3.48Å; L125-Y129 PolarHBondContact O-N 3.49Å; L125-L150 HydrophobicContact CD2-CD2 4.1Å; L125-I153 HydrophobicContact CD2-CD1 3.94Å; L125-I153 HydrophobicContact CG-CD1 3.99Å; L125-I175 HydrophobicContact CD1-CG2 4.19Å; L125-V179 HydrophobicContact CD1-CG2 4Å; L125-V179 HydrophobicContact CD2-CG2 4.06Å; L125-V179 HydrophobicContact CG-CG2 4.44Å; L125-L182 HydrophobicContact CD2-CD1 3.83Å
126I96.6Very high94.6Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-60.2-43.7175.6-64168.5000110.2Y66 I71 L85 Y88 R122 L128 Y129 R130Y66-I126 HydrophobicContact CD2-CD1 3.96Å; Y66-I126 HydrophobicContact CD2-CG1 3.6Å; Y66-I126 HydrophobicContact CE2-CD1 4.37Å; Y66-I126 HydrophobicContact CE2-CG1 3.58Å; I71-I126 HydrophobicContact CB-CG1 4.33Å; I71-I126 HydrophobicContact CB-CG2 4.13Å; I71-I126 HydrophobicContact CD1-CG1 4.35Å; I71-I126 HydrophobicContact CD1-CG2 4.34Å; I71-I126 HydrophobicContact CG2-CD1 4.32Å; I71-I126 HydrophobicContact CG2-CG1 4.16Å; L85-I126 HydrophobicContact CB-CB 4.5Å; L85-I126 HydrophobicContact CB-CG2 3.82Å; L85-I126 HydrophobicContact CD1-CB 4.25Å; L85-I126 HydrophobicContact CD1-CG2 4.37Å; L85-I126 HydrophobicContact CG-CG2 4.47Å; Y88-I126 HydrophobicContact CD2-CD1 3.41Å; Y88-I126 VanDerWaalsContact CD2-CD1 3.41Å; Y88-I126 HydrophobicContact CE2-CD1 3.75Å; Y88-I126 HydrophobicContact CG-CD1 4.46Å; R122-I126 VanDerWaalsContact O-CG1 3.31Å; R122-I126 WeakPolarHBondContact O-CG1 3.42Å; R122-I126 PolarHBondContact O-N 3.3Å; I126-L128 VanDerWaalsContact C-N 3.3Å; I126-L128 PolarHBondContact O-N 3.29Å; I126-Y129 PolarHBondContact O-N 3.3Å; I126-R130 HydrophobicContact CG2-CG 4.23Å; I126-R130 WeakPolarHBondContact O-CB 3.36Å; I126-R130 WeakPolarHBondContact O-CG 3.23Å; I126-R130 PolarHBondContact O-N 3.32Å
127S95.6Very high94.3Very high55 Ų5526 Ų2639%0.38513%0.133SC..Hα-helixtrans-61.2-40.9178-58.30000111.5G123 Q124 L125 K131G123-S127 WeakPolarHBondContact O-CB 3.38Å; G123-S127 PolarHBondContact O-N 3.01Å; G123-S127 PolarHBondContact O-OG 3.02Å; Q124-S127 WeakPolarHBondContact O-CB 3.46Å; Q124-S127 PolarHBondContact O-N 2.96Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3.2Å; S127-K131 VanDerWaalsContact O-CB 3.29Å; S127-K131 WeakPolarHBondContact O-CB 3.17Å; S127-K131 PolarHBondContact O-N 3.01Å
128L95.6Very high94.1Very high11 Ų1125.7 Ų25.76%0.05813%0.131CC..Hα-helixtrans-64.4-47.6175.4-176.1144.8000111.8Q124 L125 I126 R130 K131 I132 L146 L150Q124-L128 WeakPolarHBondContact O-CB 3.34Å; Q124-L128 PolarHBondContact O-N 3.39Å; L125-L128 PolarHBondContact O-N 3.01Å; I126-L128 VanDerWaalsContact C-N 3.3Å; I126-L128 PolarHBondContact O-N 3.29Å; L128-R130 PolarHBondContact O-N 3.43Å; L128-K131 PolarHBondContact O-N 3.41Å; L128-I132 HydrophobicContact CD2-CD1 3.54Å; L128-I132 HydrophobicContact CG-CD1 4.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.01Å; L128-I132 PolarHBondContact O-N 2.95Å; L128-L146 HydrophobicContact CD1-CD2 4.34Å; L128-L146 HydrophobicContact CG-CD2 4.29Å; L128-L150 HydrophobicContact CD1-CD2 3.84Å; L128-L150 HydrophobicContact CD1-CG 4.04Å
129Y95.3Very high93.8Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-61.7-42.9176.7-72.1-52.9000112.4Y66 I71 L125 I126 I132 A133 E178 L182 L232 W235 L429Y66-Y129 HydrophobicContact CE2-CE2 4.47Å; I71-Y129 HydrophobicContact CD1-CD2 3.88Å; I71-Y129 HydrophobicContact CD1-CG 4.23Å; L125-Y129 HydrophobicContact CB-CE2 4.32Å; L125-Y129 WeakPolarHBondContact O-CD2 3.48Å; L125-Y129 PolarHBondContact O-N 3.49Å; I126-Y129 PolarHBondContact O-N 3.3Å; Y129-I132 PolarHBondContact O-N 2.9Å; Y129-A133 VanDerWaalsContact O-CB 3.23Å; Y129-A133 WeakPolarHBondContact O-CB 3.1Å; Y129-A133 PolarHBondContact O-N 2.89Å; Y129-E178 WeakPolarHBondContact CE2-OE1 3.28Å; Y129-E178 PolarHBondContact OH-OE1 3.49Å; Y129-L182 HydrophobicContact CE1-CD1 4.3Å; Y129-L182 HydrophobicContact CE1-CD2 4.1Å; Y129-L182 WeakPolarHBondContact OH-CD1 3.34Å; Y129-L232 HydrophobicContact CE2-CD1 4.26Å; Y129-L232 WeakPolarHBondContact OH-CD1 3.14Å; Y129-W235 HydrophobicContact CD1-CZ3 4.49Å; Y129-W235 HydrophobicContact CE1-CE3 4.35Å; Y129-W235 HydrophobicContact CE1-CH2 4.09Å; Y129-W235 AromaticContact CE1-CZ3 3.69Å; Y129-W235 HydrophobicContact CE1-CZ3 3.69Å; Y129-L429 HydrophobicContact CD1-CD1 4.27Å; Y129-L429 HydrophobicContact CD1-CD2 4.02Å; Y129-L429 HydrophobicContact CE1-CD2 4.41Å
130R93.4Very high93.5Very high30 Ų3026.6 Ų26.611%0.11314%0.136CC..Hα-helixtrans-60.6-46.6174.7-74.4-177.6178.2-171.1-0.7111.6I71 F72 D83 I126 L128 I132 A133 E134I71-R130 VanDerWaalsContact O-CZ 3.27Å; I71-R130 PolarHBondContact O-NE 2.8Å; I71-R130 PolarHBondContact O-NH2 3.07Å; F72-R130 HydrophobicContact CD1-CG 4.17Å; F72-R130 HydrophobicContact CE1-CG 4.13Å; D83-R130 IonicContact OD1-CZ 3.49Å; D83-R130 IonicContact OD1-NH1 3.73Å; D83-R130 PolarHBondContact OD1-NH1 2.61Å; D83-R130 VanDerWaalsContact OD1-NH1 3.13Å; D83-R130 IonicContact OD1-NH2 3.3Å; D83-R130 PolarHBondContact OD1-NH2 2.92Å; D83-R130 IonicContact OD2-CZ 2.74Å; D83-R130 IonicContact OD2-NH1 2.76Å; D83-R130 PolarHBondContact OD2-NH1 2.74Å; D83-R130 IonicContact OD2-NH2 3.62Å; I126-R130 HydrophobicContact CG2-CG 4.23Å; I126-R130 WeakPolarHBondContact O-CB 3.36Å; I126-R130 WeakPolarHBondContact O-CG 3.23Å; I126-R130 PolarHBondContact O-N 3.32Å; L128-R130 PolarHBondContact O-N 3.43Å; R130-I132 PolarHBondContact O-N 3.42Å; R130-A133 PolarHBondContact O-N 2.83Å; R130-A133 VanDerWaalsContact O-N 3.15Å; R130-E134 WeakPolarHBondContact O-CB 3.26Å; R130-E134 WeakPolarHBondContact O-CG 3.17Å; R130-E134 PolarHBondContact O-N 2.83Å
131K93.3Very high93.1Very high100 Ų10027.9 Ų27.944%0.43514%0.143SC..Hα-helixtrans-58.4-46.7177.8-171.3-177.5-178.4-177.70112.1S127 L128 A133 E134 N135 L138S127-K131 VanDerWaalsContact O-CB 3.29Å; S127-K131 WeakPolarHBondContact O-CB 3.17Å; S127-K131 PolarHBondContact O-N 3.01Å; L128-K131 PolarHBondContact O-N 3.41Å; K131-A133 VanDerWaalsContact C-N 3.35Å; K131-E134 PolarHBondContact O-N 3.31Å; K131-N135 PolarHBondContact O-N 3.23Å; K131-L138 HydrophobicContact CD-CD1 4.13Å; K131-L138 HydrophobicContact CG-CD1 3.59Å
132I93.1Very high92.7Very high4 Ų429.7 Ų29.72%0.02116%0.156CC..Hα-helixtrans-63.3-42.7176.2-67171000110.5L128 Y129 R130 E134 N135 P136 I139 L146 V426 L429L128-I132 HydrophobicContact CD2-CD1 3.54Å; L128-I132 HydrophobicContact CG-CD1 4.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.01Å; L128-I132 PolarHBondContact O-N 2.95Å; Y129-I132 PolarHBondContact O-N 2.9Å; R130-I132 PolarHBondContact O-N 3.42Å; I132-E134 VanDerWaalsContact C-N 3.34Å; I132-E134 PolarHBondContact O-N 2.79Å; I132-N135 CarbonylContact O-C 3.6Å; I132-N135 PolarHBondContact O-N 3.36Å; I132-P136 VanDerWaalsContact O-CA 3.25Å; I132-P136 WeakPolarHBondContact O-CA 3.44Å; I132-P136 VanDerWaalsContact O-N 3.1Å; I132-I139 HydrophobicContact CG2-CD1 4.43Å; I132-L146 HydrophobicContact CD1-CD1 4.07Å; I132-L146 HydrophobicContact CG1-CD1 4.09Å; I132-L146 HydrophobicContact CG1-CD2 4.31Å; I132-V426 HydrophobicContact CG2-CB 4.45Å; I132-V426 HydrophobicContact CG2-CG1 3.9Å; I132-V426 HydrophobicContact CG2-CG2 3.72Å; I132-V426 WeakPolarHBondContact O-CG1 3.26Å; I132-L429 HydrophobicContact CG2-CD1 4.36Å
133A91.7Very high92.5Very high4 Ų430 Ų303%0.03316%0.158CC..Hα-helixtrans-71.3-28.5-177.700000112.8F72 Y129 R130 K131 L429 K430F72-A133 HydrophobicContact CD1-CB 4.37Å; F72-A133 HydrophobicContact CE1-CB 3.5Å; F72-A133 VanDerWaalsContact CE1-CB 3.5Å; F72-A133 HydrophobicContact CZ-CB 4.05Å; Y129-A133 VanDerWaalsContact O-CB 3.23Å; Y129-A133 WeakPolarHBondContact O-CB 3.1Å; Y129-A133 PolarHBondContact O-N 2.89Å; R130-A133 PolarHBondContact O-N 2.83Å; R130-A133 VanDerWaalsContact O-N 3.15Å; K131-A133 VanDerWaalsContact C-N 3.35Å; A133-L429 HydrophobicContact CB-CD1 4.35Å; A133-K430 HydrophobicContact CB-CD 4.42Å; A133-K430 HydrophobicContact CB-CG 4.2Å; A133-K430 WeakPolarHBondContact O-CE 3.49Å; A133-K430 PolarHBondContact O-NZ 3.03Å
134E89.6Confident92.2Very high150 Ų15033.5 Ų33.570%0.70118%0.182SC*.Hα-helixtrans-75.2-39.2174.1-75.8168-172.100112.3R130 K131 I132R130-E134 WeakPolarHBondContact O-CB 3.26Å; R130-E134 WeakPolarHBondContact O-CG 3.17Å; R130-E134 PolarHBondContact O-N 2.83Å; K131-E134 PolarHBondContact O-N 3.31Å; I132-E134 VanDerWaalsContact C-N 3.34Å; I132-E134 PolarHBondContact O-N 2.79Å
135N89.5Confident92Very high69 Ų6933.4 Ų33.437%0.36919%0.187SC..  trans-130.387.8175.2-176-3.7000110.5K131 I132 L137 L138K131-N135 PolarHBondContact O-N 3.23Å; I132-N135 CarbonylContact O-C 3.6Å; I132-N135 PolarHBondContact O-N 3.36Å; N135-L137 PolarHBondContact O-N 2.93Å; N135-L137 VanDerWaalsContact O-N 3.12Å; N135-L137 PolarHBondContact OD1-N 3.17Å; N135-L138 HydrophobicContact CB-CD1 3.86Å; N135-L138 HydrophobicContact CB-CG 3.9Å; N135-L138 WeakPolarHBondContact O-CB 3.43Å; N135-L138 WeakPolarHBondContact O-CG 3.3Å; N135-L138 PolarHBondContact O-N 3.33Å; N135-L138 VanDerWaalsContact O-N 3.08Å
136P89.4Confident91.9Very high29 Ų2933.5 Ų33.519%0.18819%0.188CC..THydrogen-bonded Turntrans-55.1-31.8-177.1-29.336.5000114.3I132 L138 I139 V426I132-P136 VanDerWaalsContact O-CA 3.25Å; I132-P136 WeakPolarHBondContact O-CA 3.44Å; I132-P136 VanDerWaalsContact O-N 3.1Å; P136-L138 PolarHBondContact O-N 3.23Å; P136-L138 VanDerWaalsContact O-N 3.16Å; P136-I139 WeakPolarHBondContact O-CG2 3.32Å; P136-I139 PolarHBondContact O-N 2.58Å; P136-V426 HydrophobicContact CB-CB 4.06Å; P136-V426 HydrophobicContact CB-CG1 3.77Å; P136-V426 HydrophobicContact CB-CG2 4.31Å; P136-V426 HydrophobicContact CG-CG1 3.83Å
137L88.4Confident91.9Very high9 Ų934.2 Ų34.25%0.04719%0.191CC..THydrogen-bonded Turntrans-67-17-177.5-66.8166.2000112.9N135 I139 I140 T141 V364 I367 L368 H423N135-L137 PolarHBondContact O-N 2.93Å; N135-L137 VanDerWaalsContact O-N 3.12Å; N135-L137 PolarHBondContact OD1-N 3.17Å; L137-I139 PolarHBondContact O-N 2.85Å; L137-I139 VanDerWaalsContact O-N 3.17Å; L137-I140 HydrophobicContact CD2-CD1 3.78Å; L137-I140 HydrophobicContact CD2-CG1 4.31Å; L137-I140 VanDerWaalsContact O-CG1 3.24Å; L137-I140 WeakPolarHBondContact O-CG1 3.48Å; L137-I140 PolarHBondContact O-N 3.14Å; L137-T141 PolarHBondContact O-N 2.83Å; L137-T141 PolarHBondContact O-OG1 3.45Å; L137-V364 HydrophobicContact CB-CG1 3.85Å; L137-V364 HydrophobicContact CD1-CG1 3.19Å; L137-V364 HydrophobicContact CG-CG1 4.07Å; L137-I367 HydrophobicContact CD2-CG2 4Å; L137-L368 HydrophobicContact CD1-CD1 3.87Å; L137-L368 HydrophobicContact CD1-CD2 3.92Å; L137-L368 HydrophobicContact CD1-CG 3.85Å; L137-H423 WeakPolarHBondContact CD2-NE2 3.48Å
138L90.2Very high91.9Very high19 Ų1937.1 Ų37.110%0.09920%0.201CC..Hα-helixtrans-58.5-29.2174.4-68.4175.7000112.9K131 N135 P136 I140 S142 C143K131-L138 HydrophobicContact CD-CD1 4.13Å; K131-L138 HydrophobicContact CG-CD1 3.59Å; N135-L138 HydrophobicContact CB-CD1 3.86Å; N135-L138 HydrophobicContact CB-CG 3.9Å; N135-L138 WeakPolarHBondContact O-CB 3.43Å; N135-L138 WeakPolarHBondContact O-CG 3.3Å; N135-L138 PolarHBondContact O-N 3.33Å; N135-L138 VanDerWaalsContact O-N 3.08Å; P136-L138 PolarHBondContact O-N 3.23Å; P136-L138 VanDerWaalsContact O-N 3.16Å; L138-I140 PolarHBondContact O-N 3.38Å; L138-S142 CarbonylContact O-C 3.53Å; L138-S142 WeakPolarHBondContact O-CA 3.42Å; L138-S142 PolarHBondContact O-N 3.22Å; L138-C143 PolarHBondContact O-N 2.7Å
139I90.8Very high91.9Very high0 Ų039.1 Ų39.10%022%0.216CC..Hα-helixtrans-71-9.7179-150.9173.9000113.1I132 P136 L137 C143 L186 Q189 F239 L422 V426I132-I139 HydrophobicContact CG2-CD1 4.43Å; P136-I139 WeakPolarHBondContact O-CG2 3.32Å; P136-I139 PolarHBondContact O-N 2.58Å; L137-I139 PolarHBondContact O-N 2.85Å; L137-I139 VanDerWaalsContact O-N 3.17Å; I139-C143 PolarHBondContact O-SG 3.47Å; I139-L186 HydrophobicContact CG1-CD2 3.77Å; I139-Q189 WeakPolarHBondContact O-CG 3.25Å; I139-F239 HydrophobicContact CD1-CE1 3.75Å; I139-F239 HydrophobicContact CD1-CE2 3.9Å; I139-F239 HydrophobicContact CD1-CZ 3.41Å; I139-F239 VanDerWaalsContact CD1-CZ 3.41Å; I139-F239 HydrophobicContact CG1-CE1 4.49Å; I139-F239 HydrophobicContact CG1-CZ 3.93Å; I139-L422 HydrophobicContact CD1-CD1 4.36Å; I139-L422 HydrophobicContact CG1-CD1 4.42Å; I139-L422 HydrophobicContact CG2-CB 3.83Å; I139-L422 HydrophobicContact CG2-CD1 3.95Å; I139-V426 HydrophobicContact CD1-CG2 3.99Å; I139-V426 HydrophobicContact CG2-CG2 4.15Å
140I89.6Confident92Very high20 Ų2039.1 Ų39.110%0.10322%0.216CC..Hα-helixtrans-120.7-30.7175.867.7174.1000112.3L137 L138 Q189 I367 C421 L422L137-I140 HydrophobicContact CD2-CD1 3.78Å; L137-I140 HydrophobicContact CD2-CG1 4.31Å; L137-I140 VanDerWaalsContact O-CG1 3.24Å; L137-I140 WeakPolarHBondContact O-CG1 3.48Å; L137-I140 PolarHBondContact O-N 3.14Å; L138-I140 PolarHBondContact O-N 3.38Å; I140-Q189 VanDerWaalsContact CG2-NE2 3.29Å; I140-I367 HydrophobicContact CD1-CD1 3.98Å; I140-C421 HydrophobicContact CD1-CB 4.03Å; I140-L422 HydrophobicContact CG2-CD1 4.13Å; I140-L422 HydrophobicContact CG2-CG 4.48Å
141T87.3Confident92.1Very high32 Ų3242.7 Ų42.720%0.19623%0.233CC..Hα-helixtrans-98.1-20.1-175.9650000114L137 I362 V364 I367L137-T141 PolarHBondContact O-N 2.83Å; L137-T141 PolarHBondContact O-OG1 3.45Å; T141-I362 HydrophobicContact CG2-CG2 4.18Å; T141-V364 HydrophobicContact CG2-CG2 4.14Å; T141-I367 HydrophobicContact CG2-CD1 4.39Å
142S89.5Confident92.2Very high39 Ų3940.4 Ų40.427%0.27323%0.229SC..SBendtrans-133.623.8-170.2-65.40000113.3L138 S144 S145 L146L138-S142 CarbonylContact O-C 3.53Å; L138-S142 WeakPolarHBondContact O-CA 3.42Å; L138-S142 PolarHBondContact O-N 3.22Å; S142-S144 VanDerWaalsContact C-N 3.27Å; S142-S144 PolarHBondContact O-N 2.99Å; S142-S145 PolarHBondContact O-N 3.37Å; S142-S145 PolarHBondContact O-OG 3.04Å; S142-L146 PolarHBondContact O-N 3.11Å
143C91.3Very high92.4Very high5 Ų540.3 Ų40.33%0.03423%0.229CC..Hα-helixtrans-51.1-42.7-178.9-64.60000113.4L138 I139 S145 L146 I147 I190L138-C143 PolarHBondContact O-N 2.7Å; I139-C143 PolarHBondContact O-SG 3.47Å; C143-S145 VanDerWaalsContact C-N 3.27Å; C143-S145 PolarHBondContact O-N 2.79Å; C143-L146 WeakPolarHBondContact O-CB 3.5Å; C143-L146 PolarHBondContact O-N 2.76Å; C143-L146 VanDerWaalsContact O-N 3.09Å; C143-I147 WeakPolarHBondContact O-CG1 3.33Å; C143-I147 PolarHBondContact O-N 2.84Å; C143-I190 HydrophobicContact CB-CD1 3.49Å; C143-I190 VanDerWaalsContact CB-CD1 3.49Å; C143-I190 HydrophobicContact CB-CG1 3.32Å
144S91.4Very high92.5Very high77 Ų7741.8 Ų41.854%0.53824%0.236SC..Hα-helixtrans-58.1-39.8-179.8-54.60000112.1S142 I147 I148S142-S144 VanDerWaalsContact C-N 3.27Å; S142-S144 PolarHBondContact O-N 2.99Å; S144-I147 PolarHBondContact O-N 3.44Å; S144-I148 VanDerWaalsContact O-CG1 3.3Å; S144-I148 WeakPolarHBondContact O-CG1 3.21Å; S144-I148 PolarHBondContact O-N 2.99Å
145S93.3Very high92.7Very high48 Ų4840.4 Ų40.434%0.33623%0.233SC..Hα-helixtrans-68.7-36.8177770000112.7S142 C143 I148 S149S142-S145 PolarHBondContact O-N 3.37Å; S142-S145 PolarHBondContact O-OG 3.04Å; C143-S145 VanDerWaalsContact C-N 3.27Å; C143-S145 PolarHBondContact O-N 2.79Å; S145-I148 PolarHBondContact O-N 2.68Å; S145-S149 PolarHBondContact O-N 3.13Å; S145-S149 VanDerWaalsContact O-N 3.16Å; S145-S149 PolarHBondContact O-OG 2.72Å
146L95.1Very high92.8Very high2 Ų240.1 Ų40.11%0.0123%0.23CC..Hα-helixtrans-67.2-43.1175.8-62175.8000110.4L128 I132 S142 C143 I148 S149 L150 L186L128-L146 HydrophobicContact CD1-CD2 4.34Å; L128-L146 HydrophobicContact CG-CD2 4.29Å; I132-L146 HydrophobicContact CD1-CD1 4.07Å; I132-L146 HydrophobicContact CG1-CD1 4.09Å; I132-L146 HydrophobicContact CG1-CD2 4.31Å; S142-L146 PolarHBondContact O-N 3.11Å; C143-L146 WeakPolarHBondContact O-CB 3.5Å; C143-L146 PolarHBondContact O-N 2.76Å; C143-L146 VanDerWaalsContact O-N 3.09Å; L146-I148 PolarHBondContact O-N 3.08Å; L146-S149 WeakPolarHBondContact O-CB 3.26Å; L146-S149 PolarHBondContact O-N 3.44Å; L146-S149 VanDerWaalsContact O-N 3.12Å; L146-L150 WeakPolarHBondContact O-CG 3.36Å; L146-L150 PolarHBondContact O-N 2.89Å; L146-L186 HydrophobicContact CB-CD1 3.68Å; L146-L186 HydrophobicContact CD1-CD1 4.37Å; L146-L186 HydrophobicContact CD1-CD2 4.17Å
147I96.2Very high92.9Very high15 Ų1539.5 Ų39.58%0.07723%0.225CC..Hα-helixtrans-60.3-43.3175.7-72.8171.9000111.6C143 S144 S149 L150 K151 L186 I190C143-I147 WeakPolarHBondContact O-CG1 3.33Å; C143-I147 PolarHBondContact O-N 2.84Å; S144-I147 PolarHBondContact O-N 3.44Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.45Å; I147-L150 PolarHBondContact O-N 3.22Å; I147-K151 HydrophobicContact CG2-CD 4.28Å; I147-K151 WeakPolarHBondContact O-CG 3.47Å; I147-K151 PolarHBondContact O-N 2.74Å; I147-L186 HydrophobicContact CD1-CB 4.02Å; I147-L186 HydrophobicContact CG1-CB 3.78Å; I147-L186 HydrophobicContact CG1-CD1 4.27Å; I147-I190 HydrophobicContact CD1-CD1 3.51Å
148I95.9Very high92.8Very high116 Ų11643.4 Ų43.460%0.59525%0.253SS*.Hα-helixtrans-59.2-41.6175.4-69.4164.4000110.5S144 S145 L146 L150 K151 S152S144-I148 VanDerWaalsContact O-CG1 3.3Å; S144-I148 WeakPolarHBondContact O-CG1 3.21Å; S144-I148 PolarHBondContact O-N 2.99Å; S145-I148 PolarHBondContact O-N 2.68Å; L146-I148 PolarHBondContact O-N 3.08Å; I148-L150 PolarHBondContact O-N 2.56Å; I148-K151 PolarHBondContact O-N 2.76Å; I148-S152 PolarHBondContact O-N 2.95Å; I148-S152 VanDerWaalsContact O-N 3.09Å
149S95.5Very high92.1Very high54 Ų5444.6 Ų44.638%0.37826%0.261SS..Hα-helixtrans-63.1-42177.4-54.60000111.6S145 L146 I147 S152 I153S145-S149 PolarHBondContact O-N 3.13Å; S145-S149 VanDerWaalsContact O-N 3.16Å; S145-S149 PolarHBondContact O-OG 2.72Å; L146-S149 WeakPolarHBondContact O-CB 3.26Å; L146-S149 PolarHBondContact O-N 3.44Å; L146-S149 VanDerWaalsContact O-N 3.12Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.45Å; S149-S152 WeakPolarHBondContact O-CB 3.43Å; S149-S152 PolarHBondContact O-N 3.35Å; S149-I153 PolarHBondContact O-N 3.48Å
150L97.1Very high91.4Very high0 Ų050.4 Ų50.40%030%0.297CS..Hα-helixtrans-65.9-38.9175.9-65.2171.9000112.6L125 L128 L146 I147 I148 S152 I153 L154 V179 L182 H183 L186L125-L150 HydrophobicContact CD2-CD2 4.1Å; L128-L150 HydrophobicContact CD1-CD2 3.84Å; L128-L150 HydrophobicContact CD1-CG 4.04Å; L146-L150 WeakPolarHBondContact O-CG 3.36Å; L146-L150 PolarHBondContact O-N 2.89Å; I147-L150 PolarHBondContact O-N 3.22Å; I148-L150 PolarHBondContact O-N 2.56Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.19Å; L150-I153 HydrophobicContact CD2-CD1 4.39Å; L150-I153 WeakPolarHBondContact O-CB 3.4Å; L150-I153 PolarHBondContact O-N 3.34Å; L150-I153 VanDerWaalsContact O-N 3.16Å; L150-L154 PolarHBondContact O-N 2.95Å; L150-V179 HydrophobicContact CB-CG1 3.98Å; L150-V179 HydrophobicContact CD2-CG1 4.06Å; L150-V179 WeakPolarHBondContact O-CG1 3.28Å; L150-L182 HydrophobicContact CD1-CB 3.65Å; L150-L182 HydrophobicContact CD2-CB 4.09Å; L150-L182 HydrophobicContact CD2-CD1 3.82Å; L150-H183 HydrophobicContact CD1-CB 4.23Å; L150-L186 HydrophobicContact CD1-CD1 3.68Å
151K96.2Very high91.1Very high105 Ų10557.6 Ų57.646%0.45733%0.33SS..Hα-helixtrans-61.9-38.1174.8-73.2177.5179.1179.30112I147 I148 I153 L154 N155 H183I147-K151 HydrophobicContact CG2-CD 4.28Å; I147-K151 WeakPolarHBondContact O-CG 3.47Å; I147-K151 PolarHBondContact O-N 2.74Å; I148-K151 PolarHBondContact O-N 2.76Å; K151-I153 VanDerWaalsContact C-N 3.31Å; K151-I153 PolarHBondContact O-N 2.92Å; K151-L154 PolarHBondContact O-N 3.01Å; K151-N155 VanDerWaalsContact O-CG 3.26Å; K151-N155 PolarHBondContact O-N 2.91Å; K151-H183 WeakPolarHBondContact CE-NE2 3.5Å
152S95.1Very high90.9Very high51 Ų5157.6 Ų57.636%0.35733%0.328SS..Hα-helixtrans-58.2-43.5173.2-174.90000111.9I148 S149 L150 N155 Q156I148-S152 PolarHBondContact O-N 2.95Å; I148-S152 VanDerWaalsContact O-N 3.09Å; S149-S152 WeakPolarHBondContact O-CB 3.43Å; S149-S152 PolarHBondContact O-N 3.35Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.19Å; S152-N155 PolarHBondContact O-N 3.37Å; S152-Q156 WeakPolarHBondContact O-CG 3.37Å; S152-Q156 PolarHBondContact O-N 3.24Å; S152-Q156 VanDerWaalsContact O-N 3.08Å
153I96.1Very high90.3Very high2 Ų261.7 Ų61.71%0.0134%0.343CS..Hα-helixtrans-64.5-44177.1-59.4165.7000110.9Q124 L125 S149 L150 K151 N155 Q156 L157 V179Q124-I153 HydrophobicContact CB-CD1 3.82Å; Q124-I153 HydrophobicContact CB-CG1 3.93Å; L125-I153 HydrophobicContact CD2-CD1 3.94Å; L125-I153 HydrophobicContact CG-CD1 3.99Å; S149-I153 PolarHBondContact O-N 3.48Å; L150-I153 HydrophobicContact CD2-CD1 4.39Å; L150-I153 WeakPolarHBondContact O-CB 3.4Å; L150-I153 PolarHBondContact O-N 3.34Å; L150-I153 VanDerWaalsContact O-N 3.16Å; K151-I153 VanDerWaalsContact C-N 3.31Å; K151-I153 PolarHBondContact O-N 2.92Å; I153-N155 VanDerWaalsContact C-N 3.31Å; I153-N155 PolarHBondContact O-N 3.32Å; I153-Q156 WeakPolarHBondContact O-CB 3.26Å; I153-Q156 PolarHBondContact O-N 2.86Å; I153-Q156 VanDerWaalsContact O-N 3.17Å; I153-L157 HydrophobicContact CG2-CD1 4.07Å; I153-L157 WeakPolarHBondContact O-CG 3.26Å; I153-L157 PolarHBondContact O-N 3.39Å; I153-V179 HydrophobicContact CB-CG1 4.31Å; I153-V179 HydrophobicContact CB-CG2 4.39Å; I153-V179 HydrophobicContact CG2-CG1 4.41Å; I153-V179 HydrophobicContact CG2-CG2 3.68Å
154L95.3Very high90Very high36 Ų3661.4 Ų61.419%0.18834%0.342CS..Hα-helixtrans-60.5-40.3176.7-69.6174.3000112.6L150 K151 Q156 L157 S158 K176 V179 V180L150-L154 PolarHBondContact O-N 2.95Å; K151-L154 PolarHBondContact O-N 3.01Å; L154-Q156 VanDerWaalsContact C-N 3.33Å; L154-L157 PolarHBondContact O-N 3.19Å; L154-S158 PolarHBondContact O-N 3.32Å; L154-S158 PolarHBondContact O-OG 3.41Å; L154-K176 HydrophobicContact CD2-CG 4.19Å; L154-V179 HydrophobicContact CD1-CG1 4.19Å; L154-V179 HydrophobicContact CD2-CB 3.9Å; L154-V179 HydrophobicContact CD2-CG1 3.62Å; L154-V179 HydrophobicContact CG-CB 4.37Å; L154-V179 HydrophobicContact CG-CG1 3.53Å; L154-V180 HydrophobicContact CD1-CG2 4.45Å; L154-V180 HydrophobicContact CD2-CG2 3.97Å
155N93.7Very high89.8Confident120 Ų12059.1 Ų59.164%0.64232%0.324SS*.Hα-helixtrans-63.8-40176.3-69.4-14.2000111.1K151 S152 I153 L157 S158K151-N155 VanDerWaalsContact O-CG 3.26Å; K151-N155 PolarHBondContact O-N 2.91Å; S152-N155 PolarHBondContact O-N 3.37Å; I153-N155 VanDerWaalsContact C-N 3.31Å; I153-N155 PolarHBondContact O-N 3.32Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-L157 PolarHBondContact O-N 3Å; N155-S158 WeakPolarHBondContact O-CB 3.19Å; N155-S158 PolarHBondContact O-N 2.73Å
156Q90.6Very high89.6Confident64 Ų6463.9 Ų63.930%0.29934%0.339SS..Hα-helixtrans-65.5-34.9176.2-70.8173.67.600113.1I117 S152 I153 L154 S158I117-Q156 WeakPolarHBondContact CG2-O 3.47Å; S152-Q156 WeakPolarHBondContact O-CG 3.37Å; S152-Q156 PolarHBondContact O-N 3.24Å; S152-Q156 VanDerWaalsContact O-N 3.08Å; I153-Q156 WeakPolarHBondContact O-CB 3.26Å; I153-Q156 PolarHBondContact O-N 2.86Å; I153-Q156 VanDerWaalsContact O-N 3.17Å; L154-Q156 VanDerWaalsContact C-N 3.33Å; Q156-S158 PolarHBondContact O-N 2.88Å
157L91.5Very high89.4Confident16 Ų1663.8 Ų63.88%0.08434%0.339CS..THydrogen-bonded Turntrans-72.7-11176.9-69165.9000113.4I117 F118 I153 L154 N155 T159 I175 K176I117-L157 HydrophobicContact CG2-CD2 3.89Å; F118-L157 HydrophobicContact CD1-CD2 4.31Å; F118-L157 HydrophobicContact CE1-CD2 4.34Å; I153-L157 HydrophobicContact CG2-CD1 4.07Å; I153-L157 WeakPolarHBondContact O-CG 3.26Å; I153-L157 PolarHBondContact O-N 3.39Å; L154-L157 PolarHBondContact O-N 3.19Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-L157 PolarHBondContact O-N 3Å; L157-T159 VanDerWaalsContact C-N 3.28Å; L157-T159 PolarHBondContact O-N 3.25Å; L157-I175 HydrophobicContact CD1-CB 4.46Å; L157-I175 HydrophobicContact CD1-CG2 3.81Å; L157-I175 HydrophobicContact CD2-CB 4.46Å; L157-I175 HydrophobicContact CD2-CG2 4.14Å; L157-K176 HydrophobicContact CD1-CB 4.35Å
158S86.4Confident89.2Confident90 Ų9063.1 Ų63.163%0.62934%0.335SS*.  trans-83.869.2179.1-57.80000110.5L154 N155 Q156L154-S158 PolarHBondContact O-N 3.32Å; L154-S158 PolarHBondContact O-OG 3.41Å; N155-S158 WeakPolarHBondContact O-CB 3.19Å; N155-S158 PolarHBondContact O-N 2.73Å; Q156-S158 PolarHBondContact O-N 2.88Å
159T76.7Confident89Confident44 Ų4461.1 Ų61.127%0.2733%0.325SS..PPolyproline II helixtrans-86.8147178.3-34.20000111.5V113 I117 L157 E161V113-T159 HydrophobicContact CG1-CG2 3.9Å; I117-T159 HydrophobicContact CD1-CG2 3.87Å; I117-T159 WeakPolarHBondContact CD1-OG1 3.44Å; L157-T159 VanDerWaalsContact C-N 3.28Å; L157-T159 PolarHBondContact O-N 3.25Å; T159-E161 PolarHBondContact O-N 3.48Å
160T75.7Confident88.8Confident123 Ų12359.2 Ų59.276%0.75531%0.31SS*.PPolyproline II helixtrans-59.4131.6171.5-46.10000111N162T160-N162 PolarHBondContact O-ND2 3.24Å
161E82.9Confident88.6Confident170 Ų17059.3 Ų59.379%0.79431%0.311SS*.PPolyproline II helixtrans-60.4141.7176.4-61.9-168.4164.600111.4T159 T165T159-E161 PolarHBondContact O-N 3.48Å; E161-T165 WeakPolarHBondContact CA-OG1 3.46Å; E161-T165 HydrophobicContact CG-CG2 4.43Å
162N82.8Confident88.5Confident32 Ų3255.5 Ų55.517%0.17130%0.297CS..  trans-149.4178.7179.660.766.2000110.2Y110 Y114 T160 L164 T165Y110-N162 HydrophobicContact CD1-CB 4.02Å; Y110-N162 HydrophobicContact CD2-CB 4.46Å; Y110-N162 HydrophobicContact CE1-CB 3.86Å; Y110-N162 HydrophobicContact CE2-CB 4.32Å; Y110-N162 HydrophobicContact CG-CB 4.34Å; Y114-N162 WeakPolarHBondContact CE2-ND2 3.5Å; Y114-N162 PolarHBondContact OH-ND2 3.43Å; T160-N162 PolarHBondContact O-ND2 3.24Å; N162-L164 PolarHBondContact O-N 3.44Å; N162-L164 PolarHBondContact OD1-N 2.97Å; N162-T165 PolarHBondContact N-OG1 2.93Å; N162-T165 WeakPolarHBondContact O-CB 3.36Å; N162-T165 PolarHBondContact O-N 3.22Å; N162-T165 VanDerWaalsContact O-N 3.09Å; N162-T165 PolarHBondContact O-OG1 3.07Å; N162-T165 PolarHBondContact OD1-N 3.4Å; N162-T165 PolarHBondContact OD1-OG1 3.43Å
163E77.9Confident88.4Confident125 Ų12557 Ų5758%0.58430%0.299SS*.THydrogen-bonded Turntrans-58.6-31.4-176.1-72.5-62.4157.700114.4K12K12-E163 WeakPolarHBondContact CE-O 3.43Å; K12-E163 PolarHBondContact NZ-O 3.29Å; K12-E163 IonicContact NZ-OE2 3.62Å
164L85.1Confident88.3Confident0 Ų057 Ų570%030%0.299CS..THydrogen-bonded Turntrans-89.4-9.5179.6-65.4-173000113.7I11 K12 L15 N107 N162 K166 A167 F168I11-L164 HydrophobicContact CG2-CD2 4.23Å; K12-L164 HydrophobicContact CB-CD2 4.06Å; L15-L164 HydrophobicContact CD1-CD1 4.44Å; N107-L164 HydrophobicContact CB-CD1 4.37Å; N107-L164 WeakPolarHBondContact O-CD1 3.46Å; N162-L164 PolarHBondContact O-N 3.44Å; N162-L164 PolarHBondContact OD1-N 2.97Å; L164-K166 PolarHBondContact O-N 3.07Å; L164-K166 VanDerWaalsContact O-N 3.07Å; L164-A167 WeakPolarHBondContact O-CB 3.5Å; L164-A167 PolarHBondContact O-N 2.81Å; L164-F168 HydrophobicContact CB-CD2 4.18Å; L164-F168 HydrophobicContact CB-CE2 3.87Å; L164-F168 HydrophobicContact CD1-CE2 4.25Å; L164-F168 WeakPolarHBondContact O-CD2 3.46Å; L164-F168 PolarHBondContact O-N 3.26Å
165T87.2Confident88.4Confident29 Ų2955.3 Ų55.318%0.17829%0.29CS..THydrogen-bonded Turntrans-51.3-39.8-176.5-58.50000112.9Y114 E161 N162 A167 F168 L169Y114-T165 WeakPolarHBondContact OH-CA 3.33Å; Y114-T165 WeakPolarHBondContact OH-CB 3.32Å; Y114-T165 PolarHBondContact OH-OG1 3.34Å; E161-T165 WeakPolarHBondContact CA-OG1 3.46Å; E161-T165 HydrophobicContact CG-CG2 4.43Å; N162-T165 PolarHBondContact N-OG1 2.93Å; N162-T165 WeakPolarHBondContact O-CB 3.36Å; N162-T165 PolarHBondContact O-N 3.22Å; N162-T165 VanDerWaalsContact O-N 3.09Å; N162-T165 PolarHBondContact O-OG1 3.07Å; N162-T165 PolarHBondContact OD1-N 3.4Å; N162-T165 PolarHBondContact OD1-OG1 3.43Å; T165-A167 VanDerWaalsContact C-N 3.3Å; T165-A167 PolarHBondContact O-N 2.9Å; T165-F168 PolarHBondContact O-N 3.4Å; T165-L169 PolarHBondContact O-N 2.86Å
166K88Confident88.5Confident147 Ų14755 Ų5564%0.63928%0.283SS*.THydrogen-bonded Turntrans-61.7-36.2178.5-67.1-174.5179.4179.20112.8L164 F168 L169L164-K166 PolarHBondContact O-N 3.07Å; L164-K166 VanDerWaalsContact O-N 3.07Å; K166-F168 VanDerWaalsContact C-N 3.3Å; K166-F168 PolarHBondContact O-N 3.16Å; K166-L169 VanDerWaalsContact O-CB 3.28Å; K166-L169 WeakPolarHBondContact O-CB 3.36Å; K166-L169 PolarHBondContact O-N 3.02Å
167A91Very high88.9Confident1 Ų153.2 Ų53.21%0.00828%0.276CS..THydrogen-bonded Turntrans-69.3-29.9-179.100000112.8K12 L15 D16 L164 T165K12-A167 HydrophobicContact CG-CB 4.12Å; K12-A167 VanDerWaalsContact O-CB 3.31Å; K12-A167 WeakPolarHBondContact O-CB 3.37Å; L15-A167 HydrophobicContact CB-CB 3.73Å; D16-A167 HydrophobicContact CB-CB 4.26Å; L164-A167 WeakPolarHBondContact O-CB 3.5Å; L164-A167 PolarHBondContact O-N 2.81Å; T165-A167 VanDerWaalsContact C-N 3.3Å; T165-A167 PolarHBondContact O-N 2.9Å
168F92.5Very high89.2Confident1 Ų152.5 Ų52.50%0.00427%0.272CS..THydrogen-bonded Turntrans-93.90.4178.7-63.5-73.3000113.6L15 F19 F111 Y114 M115 F118 L164 T165 K166 H170 I171 S172L15-F168 HydrophobicContact CD1-CE2 4.43Å; L15-F168 HydrophobicContact CD1-CZ 4.11Å; F19-F168 AromaticContact CD2-CD1 3.86Å; F19-F168 HydrophobicContact CD2-CD1 3.86Å; F19-F168 HydrophobicContact CD2-CE1 4.26Å; F19-F168 AromaticContact CE2-CD1 3.23Å; F19-F168 HydrophobicContact CE2-CD1 3.23Å; F19-F168 AromaticContact CE2-CE1 3.25Å; F19-F168 HydrophobicContact CE2-CE1 3.25Å; F19-F168 HydrophobicContact CE2-CG 4.39Å; F19-F168 HydrophobicContact CE2-CZ 4.38Å; F19-F168 AromaticContact CZ-CD1 3.67Å; F19-F168 HydrophobicContact CZ-CD1 3.67Å; F19-F168 AromaticContact CZ-CE1 3.6Å; F19-F168 HydrophobicContact CZ-CE1 3.6Å; F111-F168 HydrophobicContact CD2-CE1 4.35Å; F111-F168 AromaticContact CD2-CZ 3.81Å; F111-F168 HydrophobicContact CD2-CZ 3.81Å; Y114-F168 HydrophobicContact CD1-CB 4.14Å; Y114-F168 HydrophobicContact CD1-CD2 4.18Å; Y114-F168 HydrophobicContact CD1-CG 4.19Å; Y114-F168 AromaticContact CD2-CD2 3.23Å; Y114-F168 HydrophobicContact CD2-CD2 3.23Å; Y114-F168 AromaticContact CD2-CE2 3.34Å; Y114-F168 HydrophobicContact CD2-CE2 3.34Å; Y114-F168 HydrophobicContact CD2-CG 4.02Å; Y114-F168 HydrophobicContact CD2-CZ 4.17Å; Y114-F168 HydrophobicContact CE1-CB 4.42Å; Y114-F168 AromaticContact CE2-CD2 3.68Å; Y114-F168 HydrophobicContact CE2-CD2 3.68Å; Y114-F168 HydrophobicContact CE2-CE2 4.08Å; Y114-F168 HydrophobicContact CG-CB 4.28Å; Y114-F168 HydrophobicContact CG-CD1 4.37Å; Y114-F168 AromaticContact CG-CD2 3.52Å; Y114-F168 HydrophobicContact CG-CD2 3.52Å; Y114-F168 AromaticContact CG-CE2 3.8Å; Y114-F168 HydrophobicContact CG-CE2 3.8Å; Y114-F168 AromaticContact CG-CG 3.82Å; Y114-F168 HydrophobicContact CG-CG 3.82Å; Y114-F168 HydrophobicContact CG-CZ 4.3Å; M115-F168 HydrophobicContact SD-CE1 4.5Å; F118-F168 HydrophobicContact CE2-CB 4.02Å; F118-F168 AromaticContact CE2-CD1 3.61Å; F118-F168 HydrophobicContact CE2-CD1 3.61Å; F118-F168 HydrophobicContact CE2-CE1 4.34Å; F118-F168 HydrophobicContact CE2-CG 4.09Å; F118-F168 HydrophobicContact CZ-CB 3.92Å; F118-F168 HydrophobicContact CZ-CD1 4.37Å; F118-F168 HydrophobicContact CZ-CG 4.42Å; L164-F168 HydrophobicContact CB-CD2 4.18Å; L164-F168 HydrophobicContact CB-CE2 3.87Å; L164-F168 HydrophobicContact CD1-CE2 4.25Å; L164-F168 WeakPolarHBondContact O-CD2 3.46Å; L164-F168 PolarHBondContact O-N 3.26Å; T165-F168 PolarHBondContact O-N 3.4Å; K166-F168 VanDerWaalsContact C-N 3.3Å; K166-F168 PolarHBondContact O-N 3.16Å; F168-H170 VanDerWaalsContact C-N 3.3Å; F168-H170 PolarHBondContact O-N 3.37Å; F168-I171 HydrophobicContact CB-CG2 4.42Å; F168-I171 VanDerWaalsContact O-CG2 3.26Å; F168-I171 WeakPolarHBondContact O-CG2 3.26Å; F168-I171 PolarHBondContact O-N 2.93Å; F168-S172 VanDerWaalsContact O-CB 3.23Å; F168-S172 WeakPolarHBondContact O-CB 3.44Å; F168-S172 PolarHBondContact O-N 3.1Å
169L90.9Very high89.7Confident74 Ų7448.2 Ų48.239%0.38724%0.242SC..Hα-helixtrans-58.5-42.1-172.3-17565.2000112T165 K166 Q173T165-L169 PolarHBondContact O-N 2.86Å; K166-L169 VanDerWaalsContact O-CB 3.28Å; K166-L169 WeakPolarHBondContact O-CB 3.36Å; K166-L169 PolarHBondContact O-N 3.02Å; L169-Q173 HydrophobicContact CD1-CG 3.92Å; L169-Q173 HydrophobicContact CG-CG 4.19Å; L169-Q173 WeakPolarHBondContact O-CB 3.49Å; L169-Q173 WeakPolarHBondContact O-CG 3.13Å; L169-Q173 PolarHBondContact O-N 2.92Å
170H91.2Very high90.7Very high13 Ų1347.6 Ų47.66%0.0624%0.238CC..Hα-helixtrans-62.1-51.4-177.2-175-86.4000112.1F19 R20 F168 S174 L217F19-H170 PolarHBondContact O-ND1 3.47Å; R20-H170 HydrophobicContact CG-CB 4.35Å; F168-H170 VanDerWaalsContact C-N 3.3Å; F168-H170 PolarHBondContact O-N 3.37Å; H170-S174 WeakPolarHBondContact O-CB 3.36Å; H170-S174 PolarHBondContact O-N 3.04Å; H170-L217 PolarHBondContact NE2-O 3.02Å; H170-L217 VanDerWaalsContact NE2-O 3.12Å
171I93.6Very high91.8Very high2 Ų241.8 Ų41.81%0.0120%0.202CC..Hα-helixtrans-69.4-40.2178.9-174.560.9000111.9F19 F59 E63 F118 F168 Q173 S174 I175F19-I171 HydrophobicContact CB-CG2 4.44Å; F19-I171 HydrophobicContact CD1-CB 3.79Å; F19-I171 HydrophobicContact CD1-CG1 4.33Å; F19-I171 HydrophobicContact CD1-CG2 3.57Å; F19-I171 HydrophobicContact CD2-CG2 4.46Å; F19-I171 HydrophobicContact CE1-CB 4.35Å; F19-I171 HydrophobicContact CE1-CG2 3.89Å; F19-I171 HydrophobicContact CG-CB 4.34Å; F19-I171 HydrophobicContact CG-CG2 3.9Å; F19-I171 HydrophobicContact CZ-CG2 4.48Å; F59-I171 HydrophobicContact CE1-CD1 4.4Å; F59-I171 HydrophobicContact CE1-CG1 4.24Å; F59-I171 HydrophobicContact CZ-CD1 4.44Å; F59-I171 HydrophobicContact CZ-CG1 4.23Å; E63-I171 HydrophobicContact CG-CD1 4.33Å; E63-I171 WeakPolarHBondContact OE1-CD1 3.37Å; F118-I171 HydrophobicContact CD2-CG2 4.09Å; F118-I171 HydrophobicContact CE2-CG2 3.52Å; F118-I171 HydrophobicContact CZ-CG2 3.77Å; F168-I171 HydrophobicContact CB-CG2 4.42Å; F168-I171 VanDerWaalsContact O-CG2 3.26Å; F168-I171 WeakPolarHBondContact O-CG2 3.26Å; F168-I171 PolarHBondContact O-N 2.93Å; I171-Q173 PolarHBondContact O-N 3.32Å; I171-S174 WeakPolarHBondContact O-CB 3.41Å; I171-S174 PolarHBondContact O-N 3.17Å; I171-I175 HydrophobicContact CD1-CD1 4.31Å; I171-I175 HydrophobicContact CD1-CG1 4.34Å; I171-I175 HydrophobicContact CG1-CD1 4.07Å; I171-I175 WeakPolarHBondContact O-CG1 3.33Å; I171-I175 PolarHBondContact O-N 2.9Å
172S94Very high92.5Very high25 Ų2533.8 Ų33.818%0.17517%0.165CC..Hα-helixtrans-61.3-45.7177.3179.80000111.5F168 S174 I175 K176F168-S172 VanDerWaalsContact O-CB 3.23Å; F168-S172 WeakPolarHBondContact O-CB 3.44Å; F168-S172 PolarHBondContact O-N 3.1Å; S172-S174 PolarHBondContact O-N 3.21Å; S172-I175 PolarHBondContact O-N 3.49Å; S172-K176 VanDerWaalsContact O-CB 3.23Å; S172-K176 WeakPolarHBondContact O-CB 3.38Å; S172-K176 PolarHBondContact O-N 2.68Å
173Q93.7Very high93.2Very high82 Ų8234 Ų3438%0.38317%0.165SC..Hα-helixtrans-64.5-38.5175.8-75.5179.1-14.100112.2L169 I171 K176 L177 L217L169-Q173 HydrophobicContact CD1-CG 3.92Å; L169-Q173 HydrophobicContact CG-CG 4.19Å; L169-Q173 WeakPolarHBondContact O-CB 3.49Å; L169-Q173 WeakPolarHBondContact O-CG 3.13Å; L169-Q173 PolarHBondContact O-N 2.92Å; I171-Q173 PolarHBondContact O-N 3.32Å; Q173-K176 PolarHBondContact O-N 2.91Å; Q173-L177 VanDerWaalsContact O-CB 3.29Å; Q173-L177 WeakPolarHBondContact O-CB 3.4Å; Q173-L177 VanDerWaalsContact O-CG 3.26Å; Q173-L177 WeakPolarHBondContact O-CG 3.25Å; Q173-L177 PolarHBondContact O-N 3.23Å; Q173-L217 HydrophobicContact CB-CD2 3.87Å
174S94.4Very high94.2Very high3 Ų329.2 Ų29.22%0.02114%0.142CC..Hα-helixtrans-59.1-53.6176.2178.70000111.3H170 I171 S172 K176 L177 E178H170-S174 WeakPolarHBondContact O-CB 3.36Å; H170-S174 PolarHBondContact O-N 3.04Å; I171-S174 WeakPolarHBondContact O-CB 3.41Å; I171-S174 PolarHBondContact O-N 3.17Å; S172-S174 PolarHBondContact O-N 3.21Å; S174-K176 PolarHBondContact O-N 3.25Å; S174-L177 PolarHBondContact O-N 2.83Å; S174-E178 PolarHBondContact O-N 3.31Å
175I96.4Very high94.8Very high0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-61.6-45.8178.5-59.4167.7000110.1F118 L125 L157 I171 S172 L177 E178 V179F118-I175 HydrophobicContact CB-CD1 4.1Å; F118-I175 HydrophobicContact CD1-CD1 3.59Å; F118-I175 HydrophobicContact CE1-CD1 4.34Å; F118-I175 HydrophobicContact CG-CD1 4.03Å; L125-I175 HydrophobicContact CD1-CG2 4.19Å; L157-I175 HydrophobicContact CD1-CB 4.46Å; L157-I175 HydrophobicContact CD1-CG2 3.81Å; L157-I175 HydrophobicContact CD2-CB 4.46Å; L157-I175 HydrophobicContact CD2-CG2 4.14Å; I171-I175 HydrophobicContact CD1-CD1 4.31Å; I171-I175 HydrophobicContact CD1-CG1 4.34Å; I171-I175 HydrophobicContact CG1-CD1 4.07Å; I171-I175 WeakPolarHBondContact O-CG1 3.33Å; I171-I175 PolarHBondContact O-N 2.9Å; S172-I175 PolarHBondContact O-N 3.49Å; I175-L177 PolarHBondContact O-N 2.93Å; I175-E178 PolarHBondContact O-N 3.08Å; I175-V179 HydrophobicContact CG2-CG2 4.29Å; I175-V179 WeakPolarHBondContact O-CG2 3.49Å; I175-V179 PolarHBondContact O-N 3.43Å
176K96.6Very high95.3Very high113 Ų11327.9 Ų27.949%0.49114%0.135SC..Hα-helixtrans-60.8-45.4-179.6-175.7174.2-178.6172.50112L154 L157 S172 Q173 S174 V179 V180L154-K176 HydrophobicContact CD2-CG 4.19Å; L157-K176 HydrophobicContact CD1-CB 4.35Å; S172-K176 VanDerWaalsContact O-CB 3.23Å; S172-K176 WeakPolarHBondContact O-CB 3.38Å; S172-K176 PolarHBondContact O-N 2.68Å; Q173-K176 PolarHBondContact O-N 2.91Å; S174-K176 PolarHBondContact O-N 3.25Å; K176-V179 PolarHBondContact O-N 3.4Å; K176-V180 HydrophobicContact CG-CG2 4.45Å; K176-V180 WeakPolarHBondContact O-CB 3.45Å; K176-V180 VanDerWaalsContact O-CG2 3.25Å; K176-V180 WeakPolarHBondContact O-CG2 3.16Å; K176-V180 PolarHBondContact O-N 2.94Å
177L97.4Very high95.7Very high27 Ų2722.1 Ų22.114%0.14111%0.112CC..Hα-helixtrans-62.3-44.5178.2-78.3168.6000111.2Q173 S174 I175 V179 V180 I181 N210 K213 L214 L217Q173-L177 VanDerWaalsContact O-CB 3.29Å; Q173-L177 WeakPolarHBondContact O-CB 3.4Å; Q173-L177 VanDerWaalsContact O-CG 3.26Å; Q173-L177 WeakPolarHBondContact O-CG 3.25Å; Q173-L177 PolarHBondContact O-N 3.23Å; S174-L177 PolarHBondContact O-N 2.83Å; I175-L177 PolarHBondContact O-N 2.93Å; L177-V179 PolarHBondContact O-N 3.26Å; L177-V180 PolarHBondContact O-N 3.49Å; L177-I181 WeakPolarHBondContact O-CB 3.21Å; L177-I181 VanDerWaalsContact O-CD1 3.29Å; L177-I181 WeakPolarHBondContact O-CD1 3.32Å; L177-I181 WeakPolarHBondContact O-CG1 3.43Å; L177-I181 PolarHBondContact O-N 3.23Å; L177-N210 HydrophobicContact CD2-CB 4.13Å; L177-K213 HydrophobicContact CD1-CB 4.08Å; L177-K213 HydrophobicContact CD2-CB 4.05Å; L177-K213 HydrophobicContact CD2-CD 4.29Å; L177-L214 HydrophobicContact CB-CB 4.25Å; L177-L214 HydrophobicContact CB-CD1 4.11Å; L177-L214 HydrophobicContact CD1-CB 4.3Å; L177-L214 HydrophobicContact CD1-CD1 4.46Å; L177-L217 HydrophobicContact CD1-CD2 4.01Å
178E97.8Very high96.1Very high1 Ų122 Ų221%0.00511%0.112CC..Hα-helixtrans-56.7-50.1175.3177.2-179.8178.900112Y66 R122 Y129 S174 I175 V180 I181 L182 L232Y66-E178 WeakPolarHBondContact CE1-OE2 3.48Å; Y66-E178 PolarHBondContact OH-OE1 3.22Å; Y66-E178 PolarHBondContact OH-OE2 2.92Å; R122-E178 IonicContact CZ-OE2 3.11Å; R122-E178 IonicContact NH1-OE2 2.66Å; R122-E178 PolarHBondContact NH1-OE2 2.9Å; R122-E178 IonicContact NH2-OE2 2.71Å; Y129-E178 WeakPolarHBondContact CE2-OE1 3.28Å; Y129-E178 PolarHBondContact OH-OE1 3.49Å; S174-E178 PolarHBondContact O-N 3.31Å; I175-E178 PolarHBondContact O-N 3.08Å; E178-V180 VanDerWaalsContact C-N 3.32Å; E178-V180 PolarHBondContact O-N 2.86Å; E178-I181 PolarHBondContact O-N 2.64Å; E178-L182 HydrophobicContact CG-CD1 4.38Å; E178-L182 WeakPolarHBondContact O-CG 3.27Å; E178-L182 PolarHBondContact O-N 3.04Å; E178-L232 HydrophobicContact CG-CD2 4.49Å
179V98.1Very high96.2Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-62.3-41.3-179.51800000111L125 L150 I153 L154 I175 K176 L177 H183L125-V179 HydrophobicContact CD1-CG2 4Å; L125-V179 HydrophobicContact CD2-CG2 4.06Å; L125-V179 HydrophobicContact CG-CG2 4.44Å; L150-V179 HydrophobicContact CB-CG1 3.98Å; L150-V179 HydrophobicContact CD2-CG1 4.06Å; L150-V179 WeakPolarHBondContact O-CG1 3.28Å; I153-V179 HydrophobicContact CB-CG1 4.31Å; I153-V179 HydrophobicContact CB-CG2 4.39Å; I153-V179 HydrophobicContact CG2-CG1 4.41Å; I153-V179 HydrophobicContact CG2-CG2 3.68Å; L154-V179 HydrophobicContact CD1-CG1 4.19Å; L154-V179 HydrophobicContact CD2-CB 3.9Å; L154-V179 HydrophobicContact CD2-CG1 3.62Å; L154-V179 HydrophobicContact CG-CB 4.37Å; L154-V179 HydrophobicContact CG-CG1 3.53Å; I175-V179 HydrophobicContact CG2-CG2 4.29Å; I175-V179 WeakPolarHBondContact O-CG2 3.49Å; I175-V179 PolarHBondContact O-N 3.43Å; K176-V179 PolarHBondContact O-N 3.4Å; L177-V179 PolarHBondContact O-N 3.26Å; V179-H183 WeakPolarHBondContact O-CB 3.45Å; V179-H183 PolarHBondContact O-N 3.37Å
180V97.9Very high96.4Very high32 Ų3221 Ų2119%0.19411%0.106CC..Hα-helixtrans-64.9-43.7175.9170.60000111.2L154 K176 L177 E178 L182 H183 E184 N210L154-V180 HydrophobicContact CD1-CG2 4.45Å; L154-V180 HydrophobicContact CD2-CG2 3.97Å; K176-V180 HydrophobicContact CG-CG2 4.45Å; K176-V180 WeakPolarHBondContact O-CB 3.45Å; K176-V180 VanDerWaalsContact O-CG2 3.25Å; K176-V180 WeakPolarHBondContact O-CG2 3.16Å; K176-V180 PolarHBondContact O-N 2.94Å; L177-V180 PolarHBondContact O-N 3.49Å; E178-V180 VanDerWaalsContact C-N 3.32Å; E178-V180 PolarHBondContact O-N 2.86Å; V180-L182 PolarHBondContact O-N 3.23Å; V180-H183 WeakPolarHBondContact O-CB 3.36Å; V180-H183 PolarHBondContact O-N 3Å; V180-E184 HydrophobicContact CG1-CG 4.26Å; V180-E184 VanDerWaalsContact O-CG 3.32Å; V180-E184 WeakPolarHBondContact O-CG 3.42Å; V180-E184 PolarHBondContact O-N 2.68Å; V180-N210 WeakPolarHBondContact CG1-ND2 3.36Å
181I98.5Very high96.5Very high0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-59.6-49.5177.4-68.7157.3000110L177 E178 H183 E184 L185 N210 L211 L214 L236L177-I181 WeakPolarHBondContact O-CB 3.21Å; L177-I181 VanDerWaalsContact O-CD1 3.29Å; L177-I181 WeakPolarHBondContact O-CD1 3.32Å; L177-I181 WeakPolarHBondContact O-CG1 3.43Å; L177-I181 PolarHBondContact O-N 3.23Å; E178-I181 PolarHBondContact O-N 2.64Å; I181-H183 VanDerWaalsContact C-N 3.29Å; I181-H183 PolarHBondContact O-N 3.43Å; I181-E184 PolarHBondContact O-N 2.88Å; I181-L185 HydrophobicContact CG2-CD1 3.72Å; I181-L185 HydrophobicContact CG2-CG 4.22Å; I181-L185 WeakPolarHBondContact O-CB 3.35Å; I181-L185 VanDerWaalsContact O-CG 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 2.89Å; I181-N210 HydrophobicContact CD1-CB 4.29Å; I181-N210 HydrophobicContact CG1-CB 3.62Å; I181-L211 HydrophobicContact CD1-CD2 3.97Å; I181-L211 HydrophobicContact CD1-CG 4.04Å; I181-L211 HydrophobicContact CG1-CG 4.24Å; I181-L211 HydrophobicContact CG2-CD1 4.38Å; I181-L211 HydrophobicContact CG2-CD2 4.03Å; I181-L211 HydrophobicContact CG2-CG 3.89Å; I181-L214 HydrophobicContact CD1-CB 3.99Å; I181-L214 HydrophobicContact CD1-CD2 3.68Å; I181-L214 HydrophobicContact CD1-CG 4.48Å; I181-L236 HydrophobicContact CG2-CB 4.4Å; I181-L236 HydrophobicContact CG2-CD1 4.37Å; I181-L236 HydrophobicContact CG2-CD2 4.1Å
182L97.9Very high96.6Very high3 Ų320.5 Ų20.52%0.01611%0.105CC..Hα-helixtrans-57.7-42.8176.4-72173.1000112L125 Y129 L150 E178 V180 L185 L186 W235 L236L125-L182 HydrophobicContact CD2-CD1 3.83Å; Y129-L182 HydrophobicContact CE1-CD1 4.3Å; Y129-L182 HydrophobicContact CE1-CD2 4.1Å; Y129-L182 WeakPolarHBondContact OH-CD1 3.34Å; L150-L182 HydrophobicContact CD1-CB 3.65Å; L150-L182 HydrophobicContact CD2-CB 4.09Å; L150-L182 HydrophobicContact CD2-CD1 3.82Å; E178-L182 HydrophobicContact CG-CD1 4.38Å; E178-L182 WeakPolarHBondContact O-CG 3.27Å; E178-L182 PolarHBondContact O-N 3.04Å; V180-L182 PolarHBondContact O-N 3.23Å; L182-L185 PolarHBondContact O-N 3.44Å; L182-L186 WeakPolarHBondContact O-CB 3.41Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 3.37Å; L182-W235 HydrophobicContact CD2-CH2 4.33Å; L182-W235 HydrophobicContact CD2-CZ3 3.88Å; L182-L236 HydrophobicContact CD2-CD2 3.66Å; L182-L236 HydrophobicContact CG-CD2 4.17Å
183H98Very high96.5Very high35 Ų3520.6 Ų20.616%0.16211%0.106CC..Hα-helixtrans-60.7-48.6178.2175.5-73.8000111.2L150 K151 V179 V180 I181 L186 S187L150-H183 HydrophobicContact CD1-CB 4.23Å; K151-H183 WeakPolarHBondContact CE-NE2 3.5Å; V179-H183 WeakPolarHBondContact O-CB 3.45Å; V179-H183 PolarHBondContact O-N 3.37Å; V180-H183 WeakPolarHBondContact O-CB 3.36Å; V180-H183 PolarHBondContact O-N 3Å; I181-H183 VanDerWaalsContact C-N 3.29Å; I181-H183 PolarHBondContact O-N 3.43Å; H183-L186 PolarHBondContact O-N 3.32Å; H183-S187 PolarHBondContact CE1-OG 3.05Å; H183-S187 VanDerWaalsContact O-CB 3.28Å; H183-S187 WeakPolarHBondContact O-CB 3.43Å; H183-S187 PolarHBondContact O-N 2.71Å; H183-S187 PolarHBondContact O-OG 3.43Å
184E98.1Very high96.4Very high25 Ų2517.7 Ų17.712%0.1179%0.093CC..Hα-helixtrans-66.2-38.8179.6-65.5-65.9169.200111.9V180 I181 S187 A188 S203 R206 A207V180-E184 HydrophobicContact CG1-CG 4.26Å; V180-E184 VanDerWaalsContact O-CG 3.32Å; V180-E184 WeakPolarHBondContact O-CG 3.42Å; V180-E184 PolarHBondContact O-N 2.68Å; I181-E184 PolarHBondContact O-N 2.88Å; E184-S187 PolarHBondContact O-N 2.91Å; E184-A188 WeakPolarHBondContact O-CB 3.32Å; E184-A188 PolarHBondContact O-N 3.21Å; E184-S203 WeakPolarHBondContact OE2-CA 3.43Å; E184-R206 HydrophobicContact CG-CB 3.92Å; E184-R206 WeakPolarHBondContact OE1-CD 3.28Å; E184-A207 HydrophobicContact CB-CB 3.83Å
185L98.1Very high96.3Very high0 Ų018.2 Ų18.20%010%0.095CC..Hα-helixtrans-65.7-44.5175.9-67.8173.5000112.1I181 L182 S187 A188 Q189 A207 L236 F239 Y240 L243I181-L185 HydrophobicContact CG2-CD1 3.72Å; I181-L185 HydrophobicContact CG2-CG 4.22Å; I181-L185 WeakPolarHBondContact O-CB 3.35Å; I181-L185 VanDerWaalsContact O-CG 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 2.89Å; L182-L185 PolarHBondContact O-N 3.44Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-A188 WeakPolarHBondContact O-CB 3.44Å; L185-A188 PolarHBondContact O-N 2.86Å; L185-Q189 PolarHBondContact O-N 2.99Å; L185-A207 HydrophobicContact CD2-CB 3.73Å; L185-A207 HydrophobicContact CG-CB 4.02Å; L185-L236 HydrophobicContact CD1-CD2 4.39Å; L185-F239 HydrophobicContact CB-CD1 4.08Å; L185-F239 HydrophobicContact CB-CE1 3.79Å; L185-F239 HydrophobicContact CB-CZ 4.09Å; L185-F239 HydrophobicContact CD1-CB 4.15Å; L185-F239 HydrophobicContact CD1-CD1 3.62Å; L185-F239 HydrophobicContact CD1-CE1 4.19Å; L185-F239 HydrophobicContact CD1-CG 4Å; L185-F239 HydrophobicContact CG-CD1 4.43Å; L185-Y240 HydrophobicContact CD2-CD2 4.17Å; L185-L243 HydrophobicContact CB-CD1 4.02Å; L185-L243 HydrophobicContact CD2-CD1 3.95Å; L185-L243 WeakPolarHBondContact O-CD1 3.38Å
186L97.3Very high96Very high2 Ų221 Ų211%0.0111%0.109CC..Hα-helixtrans-67.4-36175.7-69.2171.9000112I139 L146 I147 L150 L182 H183 Q189 I190 F239I139-L186 HydrophobicContact CG1-CD2 3.77Å; L146-L186 HydrophobicContact CB-CD1 3.68Å; L146-L186 HydrophobicContact CD1-CD1 4.37Å; L146-L186 HydrophobicContact CD1-CD2 4.17Å; I147-L186 HydrophobicContact CD1-CB 4.02Å; I147-L186 HydrophobicContact CG1-CB 3.78Å; I147-L186 HydrophobicContact CG1-CD1 4.27Å; L150-L186 HydrophobicContact CD1-CD1 3.68Å; L182-L186 WeakPolarHBondContact O-CB 3.41Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 3.37Å; H183-L186 PolarHBondContact O-N 3.32Å; L186-Q189 PolarHBondContact O-N 2.84Å; L186-I190 WeakPolarHBondContact O-CG1 3.12Å; L186-I190 PolarHBondContact O-N 2.91Å; L186-F239 HydrophobicContact CD2-CZ 4.31Å
187S97.2Very high95.8Very high25 Ų2516.1 Ų16.118%0.1759%0.088CC..Hα-helixtrans-65.1-42.4174.5-59.10000111H183 E184 L185 I190 A191H183-S187 PolarHBondContact CE1-OG 3.05Å; H183-S187 VanDerWaalsContact O-CB 3.28Å; H183-S187 WeakPolarHBondContact O-CB 3.43Å; H183-S187 PolarHBondContact O-N 2.71Å; H183-S187 PolarHBondContact O-OG 3.43Å; E184-S187 PolarHBondContact O-N 2.91Å; L185-S187 VanDerWaalsContact C-N 3.34Å; S187-I190 PolarHBondContact O-N 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.49Å; S187-A191 PolarHBondContact O-N 3.07Å
188A97.5Very high95.6Very high0 Ų016.9 Ų16.90%09%0.092CC..Hα-helixtrans-59.5-45.6172.200000110.9E184 L185 I190 A191 I192 L204 L243E184-A188 WeakPolarHBondContact O-CB 3.32Å; E184-A188 PolarHBondContact O-N 3.21Å; L185-A188 WeakPolarHBondContact O-CB 3.44Å; L185-A188 PolarHBondContact O-N 2.86Å; A188-I190 PolarHBondContact O-N 3.09Å; A188-A191 PolarHBondContact O-N 3.29Å; A188-I192 WeakPolarHBondContact O-CB 3.25Å; A188-I192 WeakPolarHBondContact O-CD1 3.18Å; A188-I192 WeakPolarHBondContact O-CG1 3.36Å; A188-I192 PolarHBondContact O-N 3.03Å; A188-L204 HydrophobicContact CB-CD2 4Å; A188-L204 HydrophobicContact CB-CG 3.97Å; A188-L243 HydrophobicContact CB-CD1 4.19Å
189Q96.4Very high95.3Very high1 Ų118.6 Ų18.61%0.00510%0.1CC..Hα-helixtrans-59.5-43.7177.8172.851.716.300112.8I139 I140 L185 L186 I192 S193 L243 K246 E389 L422I139-Q189 WeakPolarHBondContact O-CG 3.25Å; I140-Q189 VanDerWaalsContact CG2-NE2 3.29Å; L185-Q189 PolarHBondContact O-N 2.99Å; L186-Q189 PolarHBondContact O-N 2.84Å; Q189-I192 PolarHBondContact O-N 3.04Å; Q189-S193 WeakPolarHBondContact O-CB 3.43Å; Q189-S193 PolarHBondContact O-N 3.27Å; Q189-S193 PolarHBondContact O-OG 2.66Å; Q189-L243 HydrophobicContact CB-CD1 4.48Å; Q189-L243 HydrophobicContact CB-CD2 3.86Å; Q189-L243 HydrophobicContact CG-CD2 4.43Å; Q189-L243 VanDerWaalsContact OE1-CD2 3.32Å; Q189-K246 VanDerWaalsContact NE2-NZ 3.2Å; Q189-E389 PolarHBondContact NE2-OE1 3.34Å; Q189-L422 HydrophobicContact CG-CD1 4.1Å
190I94.1Very high95.2Very high51 Ų5118.6 Ų18.626%0.26210%0.1SC..Hα-helixtrans-59.1-53.2174.2-66.8172.5000110C143 I147 L186 S187 A188 I192 S193 D194C143-I190 HydrophobicContact CB-CD1 3.49Å; C143-I190 VanDerWaalsContact CB-CD1 3.49Å; C143-I190 HydrophobicContact CB-CG1 3.32Å; I147-I190 HydrophobicContact CD1-CD1 3.51Å; L186-I190 WeakPolarHBondContact O-CG1 3.12Å; L186-I190 PolarHBondContact O-N 2.91Å; S187-I190 PolarHBondContact O-N 3.31Å; A188-I190 PolarHBondContact O-N 3.09Å; I190-I192 VanDerWaalsContact C-N 3.3Å; I190-I192 PolarHBondContact O-N 2.67Å; I190-S193 PolarHBondContact O-N 2.9Å; I190-S193 VanDerWaalsContact O-N 3.17Å; I190-S193 PolarHBondContact O-OG 3.28Å; I190-D194 PolarHBondContact O-N 3.47Å; I190-D194 VanDerWaalsContact O-N 3.11Å
191A94Very high95Very high5 Ų517.2 Ų17.24%0.0419%0.091CC..Hα-helixtrans-59.7-39.4-178.500000112.3S187 A188 D194 L195 M196 E199S187-A191 WeakPolarHBondContact O-CB 3.49Å; S187-A191 PolarHBondContact O-N 3.07Å; A188-A191 PolarHBondContact O-N 3.29Å; A191-D194 CarbonylContact O-C 3.46Å; A191-D194 PolarHBondContact O-N 3.42Å; A191-L195 PolarHBondContact O-N 3.34Å; A191-L195 VanDerWaalsContact O-N 3.17Å; A191-M196 HydrophobicContact CB-CB 4.01Å; A191-M196 PolarHBondContact O-N 3.5Å; A191-E199 HydrophobicContact CB-CB 4.07Å
192I95.3Very high94.9Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-65.1-46.7175.3-64.5165.2000111.2A188 Q189 I190 D194 L195 L204 L243 K246 Y247 Y250 W251A188-I192 WeakPolarHBondContact O-CB 3.25Å; A188-I192 WeakPolarHBondContact O-CD1 3.18Å; A188-I192 WeakPolarHBondContact O-CG1 3.36Å; A188-I192 PolarHBondContact O-N 3.03Å; Q189-I192 PolarHBondContact O-N 3.04Å; I190-I192 VanDerWaalsContact C-N 3.3Å; I190-I192 PolarHBondContact O-N 2.67Å; I192-D194 PolarHBondContact O-N 3.19Å; I192-D194 VanDerWaalsContact O-N 3.16Å; I192-L195 PolarHBondContact O-N 2.87Å; I192-L195 VanDerWaalsContact O-N 3.14Å; I192-L204 HydrophobicContact CD1-CD1 4.48Å; I192-L243 HydrophobicContact CD1-CB 4.13Å; I192-L243 HydrophobicContact CD1-CD2 4.25Å; I192-K246 HydrophobicContact CG2-CD 3.89Å; I192-K246 HydrophobicContact CG2-CG 3.94Å; I192-Y247 HydrophobicContact CG1-CD2 4.44Å; I192-Y250 HydrophobicContact CG2-CD2 3.62Å; I192-Y250 HydrophobicContact CG2-CE2 3.87Å; I192-Y250 HydrophobicContact CG2-CG 4.45Å; I192-W251 HydrophobicContact CB-CH2 4.29Å; I192-W251 HydrophobicContact CB-CZ3 4.37Å; I192-W251 HydrophobicContact CG1-CH2 4.11Å; I192-W251 HydrophobicContact CG1-CZ3 3.97Å; I192-W251 HydrophobicContact CG2-CH2 4.36Å; I192-W251 HydrophobicContact CG2-CZ3 4.11Å
193S92.2Very high94.8Very high28 Ų2820 Ų2020%0.19611%0.107CC..Hα-helixtrans-64.4-18.3179.968.80000113.8Q189 I190Q189-S193 WeakPolarHBondContact O-CB 3.43Å; Q189-S193 PolarHBondContact O-N 3.27Å; Q189-S193 PolarHBondContact O-OG 2.66Å; I190-S193 PolarHBondContact O-N 2.9Å; I190-S193 VanDerWaalsContact O-N 3.17Å; I190-S193 PolarHBondContact O-OG 3.28Å
194D90.4Very high94.8Very high21 Ų2118.5 Ų18.511%0.11210%0.1CC..THydrogen-bonded Turntrans-112.615.6179.6-147.522.8000112.6I190 A191 I192 M196 Q301 F303 R391I190-D194 PolarHBondContact O-N 3.47Å; I190-D194 VanDerWaalsContact O-N 3.11Å; A191-D194 CarbonylContact O-C 3.46Å; A191-D194 PolarHBondContact O-N 3.42Å; I192-D194 PolarHBondContact O-N 3.19Å; I192-D194 VanDerWaalsContact O-N 3.16Å; D194-M196 HydrophobicContact CB-CG 4.33Å; D194-M196 PolarHBondContact O-N 2.94Å; D194-M196 VanDerWaalsContact O-N 3.11Å; D194-Q301 PolarHBondContact O-NE2 3.22Å; D194-Q301 PolarHBondContact OD1-NE2 3.03Å; D194-F303 WeakPolarHBondContact OD2-CE1 3.13Å; D194-F303 WeakPolarHBondContact OD2-CZ 3.23Å; D194-R391 IonicContact OD1-CZ 3.78Å; D194-R391 IonicContact OD1-NE 3.64Å; D194-R391 PolarHBondContact OD1-NE 2.88Å; D194-R391 IonicContact OD1-NH2 2.66Å
195L92.8Very high94.7Very high14 Ų1417.8 Ų17.87%0.07310%0.097CC..THydrogen-bonded Turntrans50.532.6-179.2-65.2-176.4000115.6A191 I192 F197 Y250 W251 F296 F305 I329A191-L195 PolarHBondContact O-N 3.34Å; A191-L195 VanDerWaalsContact O-N 3.17Å; I192-L195 PolarHBondContact O-N 2.87Å; I192-L195 VanDerWaalsContact O-N 3.14Å; L195-F197 PolarHBondContact O-N 3.13Å; L195-F197 VanDerWaalsContact O-N 3.09Å; L195-Y250 HydrophobicContact CD2-CD2 3.78Å; L195-Y250 HydrophobicContact CD2-CG 4.31Å; L195-W251 HydrophobicContact CB-CZ2 4.39Å; L195-W251 HydrophobicContact CD2-CZ2 4.12Å; L195-F296 HydrophobicContact CB-CE2 4.32Å; L195-F296 HydrophobicContact CB-CZ 4.19Å; L195-F296 HydrophobicContact CD1-CB 3.73Å; L195-F296 HydrophobicContact CD1-CD1 3.47Å; L195-F296 VanDerWaalsContact CD1-CD1 3.47Å; L195-F296 HydrophobicContact CD1-CD2 3.46Å; L195-F296 VanDerWaalsContact CD1-CD2 3.46Å; L195-F296 HydrophobicContact CD1-CE1 3.81Å; L195-F296 HydrophobicContact CD1-CE2 3.8Å; L195-F296 HydrophobicContact CD1-CG 3.25Å; L195-F296 HydrophobicContact CD1-CZ 3.95Å; L195-F296 HydrophobicContact CG-CD1 4.3Å; L195-F296 HydrophobicContact CG-CD2 3.64Å; L195-F296 HydrophobicContact CG-CE1 4.25Å; L195-F296 HydrophobicContact CG-CE2 3.58Å; L195-F296 HydrophobicContact CG-CG 3.99Å; L195-F296 HydrophobicContact CG-CZ 3.89Å; L195-F305 HydrophobicContact CD1-CE2 4.21Å; L195-I329 HydrophobicContact CD1-CD1 4.48Å; L195-I329 HydrophobicContact CD1-CG2 3.81Å; L195-I329 HydrophobicContact CD2-CD1 4.17Å
196M91.4Very high94.7Very high58 Ų5823.7 Ų23.729%0.28612%0.119SC..  trans-79.691.4171.8-57.2-175.18000110.6A191 D194 E199 S200 F303A191-M196 HydrophobicContact CB-CB 4.01Å; A191-M196 PolarHBondContact O-N 3.5Å; D194-M196 HydrophobicContact CB-CG 4.33Å; D194-M196 PolarHBondContact O-N 2.94Å; D194-M196 VanDerWaalsContact O-N 3.11Å; M196-E199 HydrophobicContact CB-CB 4.03Å; M196-E199 HydrophobicContact CB-CG 4.5Å; M196-E199 HydrophobicContact CE-CB 4.4Å; M196-E199 HydrophobicContact CE-CG 3.78Å; M196-S200 WeakPolarHBondContact O-CB 3.48Å; M196-S200 PolarHBondContact O-N 2.95Å; M196-S200 VanDerWaalsContact O-N 3.1Å; M196-S200 PolarHBondContact O-OG 2.87Å; M196-F303 HydrophobicContact CG-CZ 3.96Å; M196-F303 HydrophobicContact SD-CE1 4.44Å; M196-F303 HydrophobicContact SD-CZ 4.4Å
197F92.1Very high94.7Very high11 Ų1123.6 Ų23.65%0.04812%0.119CC..Hα-helixtrans-57.2-53.5-171.8175.1-106.9000114.4L195 S200 L201 Y247 W251 G309 Y310 F451L195-F197 PolarHBondContact O-N 3.13Å; L195-F197 VanDerWaalsContact O-N 3.09Å; F197-S200 PolarHBondContact O-OG 3.43Å; F197-L201 PolarHBondContact O-N 2.9Å; F197-Y247 HydrophobicContact CD2-CE2 4.35Å; F197-Y247 WeakPolarHBondContact CD2-OH 3.35Å; F197-Y247 HydrophobicContact CE2-CE2 4.49Å; F197-Y247 AromaticContact CE2-CZ 3.82Å; F197-Y247 WeakPolarHBondContact CE2-OH 3.27Å; F197-Y247 WeakPolarHBondContact CZ-OH 3.32Å; F197-W251 HydrophobicContact CB-CZ2 4.22Å; F197-W251 HydrophobicContact CD2-CB 4.27Å; F197-W251 AromaticContact CD2-CD1 3.58Å; F197-W251 AromaticContact CD2-CD2 3.91Å; F197-W251 HydrophobicContact CD2-CD2 3.91Å; F197-W251 AromaticContact CD2-CE2 3.93Å; F197-W251 AromaticContact CD2-CG 3.66Å; F197-W251 HydrophobicContact CD2-CG 3.66Å; F197-W251 AromaticContact CD2-NE1 3.73Å; F197-W251 HydrophobicContact CE2-CB 4.32Å; F197-W251 HydrophobicContact CE2-CG 4.2Å; F197-G309 VanDerWaalsContact CB-O 3.26Å; F197-G309 WeakPolarHBondContact CB-O 3.37Å; F197-Y310 HydrophobicContact CD1-CD2 4.46Å; F197-F451 HydrophobicContact CE1-CD1 4.3Å; F197-F451 HydrophobicContact CE1-CE1 4.05Å; F197-F451 HydrophobicContact CE1-CZ 4.35Å; F197-F451 HydrophobicContact CE2-CZ 4.24Å; F197-F451 HydrophobicContact CZ-CD1 4.12Å; F197-F451 HydrophobicContact CZ-CD2 4.33Å; F197-F451 AromaticContact CZ-CE1 3.58Å; F197-F451 HydrophobicContact CZ-CE1 3.58Å; F197-F451 AromaticContact CZ-CE2 3.82Å; F197-F451 HydrophobicContact CZ-CE2 3.82Å; F197-F451 HydrophobicContact CZ-CG 4.49Å; F197-F451 AromaticContact CZ-CZ 3.44Å; F197-F451 HydrophobicContact CZ-CZ 3.44Å; F197-F451 VanDerWaalsContact CZ-CZ 3.44Å
198L91.6Very high94.7Very high43 Ų4325.6 Ų25.623%0.22512%0.124CC..Hα-helixtrans-75-41.4-174.9-179.562.1000111.6S200 L201 L202 Y310 F452L198-S200 VanDerWaalsContact C-N 3.35Å; L198-S200 PolarHBondContact O-N 3.46Å; L198-L201 PolarHBondContact O-N 3.05Å; L198-L202 HydrophobicContact CD1-CD1 4.24Å; L198-L202 HydrophobicContact CD1-CG 4.07Å; L198-L202 HydrophobicContact CD2-CD1 4.45Å; L198-L202 HydrophobicContact CG-CD1 3.94Å; L198-L202 HydrophobicContact CG-CG 4.22Å; L198-L202 WeakPolarHBondContact O-CB 3.36Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.26Å; L198-Y310 HydrophobicContact CB-CD2 3.99Å; L198-Y310 HydrophobicContact CB-CE2 4.09Å; L198-Y310 HydrophobicContact CD2-CD2 4.29Å; L198-Y310 HydrophobicContact CD2-CE2 3.6Å; L198-Y310 HydrophobicContact CG-CE2 4.41Å; L198-F452 HydrophobicContact CD1-CZ 4.42Å
199E93Very high94.6Very high37 Ų3728.4 Ų28.417%0.17314%0.139CC..Hα-helixtrans-62.8-41.6-178.5-72.870.6-162.300112A191 M196 S203 R313A191-E199 HydrophobicContact CB-CB 4.07Å; M196-E199 HydrophobicContact CB-CB 4.03Å; M196-E199 HydrophobicContact CB-CG 4.5Å; M196-E199 HydrophobicContact CE-CB 4.4Å; M196-E199 HydrophobicContact CE-CG 3.78Å; E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 3.44Å; E199-S203 PolarHBondContact O-OG 3.43Å; E199-R313 IonicContact OE1-CZ 2.82Å; E199-R313 VanDerWaalsContact OE1-CZ 3.29Å; E199-R313 IonicContact OE1-NE 2.72Å; E199-R313 PolarHBondContact OE1-NE 2.86Å; E199-R313 IonicContact OE1-NH2 3.29Å; E199-R313 PolarHBondContact OE1-NH2 3Å
200S95.1Very high94.7Very high0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-64.6-45.7175.1530000111.4M196 F197 L198 L202 S203 L204 Y247 W251M196-S200 WeakPolarHBondContact O-CB 3.48Å; M196-S200 PolarHBondContact O-N 2.95Å; M196-S200 VanDerWaalsContact O-N 3.1Å; M196-S200 PolarHBondContact O-OG 2.87Å; F197-S200 PolarHBondContact O-OG 3.43Å; L198-S200 VanDerWaalsContact C-N 3.35Å; L198-S200 PolarHBondContact O-N 3.46Å; S200-L202 PolarHBondContact O-N 3.42Å; S200-S203 PolarHBondContact O-N 2.76Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 WeakPolarHBondContact O-CG 3.34Å; S200-L204 PolarHBondContact O-N 3.07Å; S200-Y247 WeakPolarHBondContact OG-CD2 3.41Å; S200-Y247 VanDerWaalsContact OG-CE2 3.25Å; S200-Y247 WeakPolarHBondContact OG-CE2 3.41Å; S200-W251 VanDerWaalsContact OG-CH2 3.27Å; S200-W251 WeakPolarHBondContact OG-CH2 3.4Å
201L94.3Very high94.8Very high2 Ų227.1 Ų27.11%0.0113%0.133CC..Hα-helixtrans-60.5-45.3176.8-178.160.2000112.6F197 L198 L204 N205 Y247 L447 F451 F452F197-L201 PolarHBondContact O-N 2.9Å; L198-L201 PolarHBondContact O-N 3.05Å; L201-L204 PolarHBondContact O-N 3.28Å; L201-N205 WeakPolarHBondContact O-CB 3.3Å; L201-N205 VanDerWaalsContact O-CG 3.31Å; L201-N205 PolarHBondContact O-N 2.87Å; L201-N205 PolarHBondContact O-ND2 3.45Å; L201-N205 VanDerWaalsContact O-ND2 3.12Å; L201-Y247 HydrophobicContact CB-CE2 3.99Å; L201-Y247 HydrophobicContact CD1-CE1 4.44Å; L201-L447 HydrophobicContact CD1-CB 4.13Å; L201-L447 HydrophobicContact CD1-CD1 4.45Å; L201-F451 HydrophobicContact CD2-CB 4.39Å; L201-F451 HydrophobicContact CD2-CD2 3.91Å; L201-F451 HydrophobicContact CD2-CG 4.31Å; L201-F452 HydrophobicContact CD2-CE2 4.3Å
202L95.7Very high94.8Very high52 Ų5228.5 Ų28.527%0.27214%0.14SC..Hα-helixtrans-62.8-42.9178.1-71.8176.3000111.6L198 S200 N205 R206 F452L198-L202 HydrophobicContact CD1-CD1 4.24Å; L198-L202 HydrophobicContact CD1-CG 4.07Å; L198-L202 HydrophobicContact CD2-CD1 4.45Å; L198-L202 HydrophobicContact CG-CD1 3.94Å; L198-L202 HydrophobicContact CG-CG 4.22Å; L198-L202 WeakPolarHBondContact O-CB 3.36Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.26Å; S200-L202 PolarHBondContact O-N 3.42Å; L202-N205 PolarHBondContact O-N 3.01Å; L202-R206 WeakPolarHBondContact O-CG 3.4Å; L202-R206 PolarHBondContact O-N 3.23Å; L202-F452 HydrophobicContact CD2-CZ 4.39Å
203S97.3Very high94.8Very high11 Ų1134 Ų348%0.07716%0.164CC..Hα-helixtrans-66.2-44.4178.7-54.60000111.2E184 E199 S200 N205 R206 A207E184-S203 WeakPolarHBondContact OE2-CA 3.43Å; E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 3.44Å; E199-S203 PolarHBondContact O-OG 3.43Å; S200-S203 PolarHBondContact O-N 2.76Å; S203-N205 PolarHBondContact O-N 3.11Å; S203-R206 PolarHBondContact O-N 2.84Å; S203-A207 WeakPolarHBondContact O-CB 3.3Å; S203-A207 PolarHBondContact O-N 3.35Å
204L97.1Very high94.9Very high2 Ų232.8 Ų32.81%0.0116%0.155CC..Hα-helixtrans-58-46173.8-75.8173.1000111.8A188 I192 S200 L201 R206 A207 K208 Y240 L243 L244 Y247A188-L204 HydrophobicContact CB-CD2 4Å; A188-L204 HydrophobicContact CB-CG 3.97Å; I192-L204 HydrophobicContact CD1-CD1 4.48Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 WeakPolarHBondContact O-CG 3.34Å; S200-L204 PolarHBondContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 3.28Å; L204-R206 PolarHBondContact O-N 3.41Å; L204-A207 WeakPolarHBondContact O-CB 3.48Å; L204-A207 PolarHBondContact O-N 2.99Å; L204-K208 PolarHBondContact O-N 3.03Å; L204-Y240 HydrophobicContact CB-CE2 4.17Å; L204-Y240 HydrophobicContact CD2-CD2 4.06Å; L204-Y240 HydrophobicContact CD2-CE2 4.03Å; L204-Y240 VanDerWaalsContact O-CE2 3.32Å; L204-Y240 WeakPolarHBondContact O-CE2 3.25Å; L204-L243 HydrophobicContact CD2-CB 3.76Å; L204-L244 HydrophobicContact CD1-CD1 4.39Å; L204-Y247 HydrophobicContact CD1-CD2 3.95Å; L204-Y247 HydrophobicContact CD1-CG 3.89Å
205N95.8Very high94.9Very high11 Ų1136.9 Ų36.96%0.05917%0.169CC..Hα-helixtrans-62-44.1178.3-79.3-37000112.2L201 L202 S203 K208 D209L201-N205 WeakPolarHBondContact O-CB 3.3Å; L201-N205 VanDerWaalsContact O-CG 3.31Å; L201-N205 PolarHBondContact O-N 2.87Å; L201-N205 PolarHBondContact O-ND2 3.45Å; L201-N205 VanDerWaalsContact O-ND2 3.12Å; L202-N205 PolarHBondContact O-N 3.01Å; S203-N205 PolarHBondContact O-N 3.11Å; N205-K208 PolarHBondContact O-N 2.85Å; N205-D209 PolarHBondContact O-N 3.38Å
206R97.8Very high94.8Very high123 Ų12343.3 Ų43.346%0.46420%0.196SC..Hα-helixtrans-64.1-40.9175.7-70.9173.4-169.9155.83.7112E184 L202 S203 L204 K208 D209 N210E184-R206 HydrophobicContact CG-CB 3.92Å; E184-R206 WeakPolarHBondContact OE1-CD 3.28Å; L202-R206 WeakPolarHBondContact O-CG 3.4Å; L202-R206 PolarHBondContact O-N 3.23Å; S203-R206 PolarHBondContact O-N 2.84Å; L204-R206 PolarHBondContact O-N 3.41Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.32Å; R206-D209 PolarHBondContact O-N 3.02Å; R206-N210 WeakPolarHBondContact O-CB 3.39Å; R206-N210 PolarHBondContact O-N 3.49Å; R206-N210 PolarHBondContact O-ND2 3.02Å
207A97.9Very high94.8Very high0 Ų041.8 Ų41.80%019%0.189CC..Hα-helixtrans-58.8-45.7174.700000110.9E184 L185 S203 L204 N210 L211 Y240E184-A207 HydrophobicContact CB-CB 3.83Å; L185-A207 HydrophobicContact CD2-CB 3.73Å; L185-A207 HydrophobicContact CG-CB 4.02Å; S203-A207 WeakPolarHBondContact O-CB 3.3Å; S203-A207 PolarHBondContact O-N 3.35Å; L204-A207 WeakPolarHBondContact O-CB 3.48Å; L204-A207 PolarHBondContact O-N 2.99Å; A207-N210 PolarHBondContact O-N 3.26Å; A207-L211 WeakPolarHBondContact O-CB 3.5Å; A207-L211 WeakPolarHBondContact O-CG 3.43Å; A207-L211 PolarHBondContact O-N 3.17Å; A207-Y240 HydrophobicContact CB-CD2 4.44Å
208K96.1Very high94.6Very high67 Ų6742.2 Ų42.229%0.29119%0.192SC..Hα-helixtrans-63.1-48.6178.3-176.461.8177100.80112.8L204 N205 R206 N210 L211 D212 Y240L204-K208 PolarHBondContact O-N 3.03Å; N205-K208 PolarHBondContact O-N 2.85Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.32Å; K208-N210 PolarHBondContact O-N 2.95Å; K208-L211 WeakPolarHBondContact O-CB 3.47Å; K208-L211 PolarHBondContact O-N 2.97Å; K208-D212 IonicContact NZ-OD1 3.86Å; K208-D212 PolarHBondContact NZ-OD1 3Å; K208-D212 IonicContact NZ-OD2 3.6Å; K208-D212 PolarHBondContact NZ-OD2 3.16Å; K208-D212 PolarHBondContact O-N 3.47Å; K208-Y240 HydrophobicContact CB-CE2 3.85Å; K208-Y240 HydrophobicContact CD-CD1 4.42Å; K208-Y240 HydrophobicContact CD-CE1 3.94Å
209D96.8Very high94Very high60 Ų6043.5 Ų43.532%0.32120%0.199SC..Hα-helixtrans-58.7-39.9178.5-72.7-22.2000111N205 R206 K213 R448N205-D209 PolarHBondContact O-N 3.38Å; R206-D209 PolarHBondContact O-N 3.02Å; D209-K213 WeakPolarHBondContact O-CG 3.19Å; D209-K213 PolarHBondContact O-N 2.95Å; D209-R448 IonicContact OD1-NH1 2.76Å; D209-R448 PolarHBondContact OD1-NH1 2.96Å; D209-R448 IonicContact OD1-NH2 3.54Å; D209-R448 IonicContact OD2-CZ 3Å; D209-R448 IonicContact OD2-NH1 3.37Å; D209-R448 PolarHBondContact OD2-NH1 3.36Å; D209-R448 IonicContact OD2-NH2 3.9Å; D209-R448 PolarHBondContact OD2-NH2 3.1Å
210N97.5Very high92.5Very high22 Ų2245.2 Ų45.212%0.11822%0.215CC..Hα-helixtrans-75.2-33.5178-69.6-45.6000113.1L177 V180 I181 R206 A207 K208 D212 K213 L214L177-N210 HydrophobicContact CD2-CB 4.13Å; V180-N210 WeakPolarHBondContact CG1-ND2 3.36Å; I181-N210 HydrophobicContact CD1-CB 4.29Å; I181-N210 HydrophobicContact CG1-CB 3.62Å; R206-N210 WeakPolarHBondContact O-CB 3.39Å; R206-N210 PolarHBondContact O-N 3.49Å; R206-N210 PolarHBondContact O-ND2 3.02Å; A207-N210 PolarHBondContact O-N 3.26Å; K208-N210 PolarHBondContact O-N 2.95Å; N210-D212 VanDerWaalsContact C-N 3.33Å; N210-D212 PolarHBondContact O-N 3.21Å; N210-K213 WeakPolarHBondContact O-CB 3.42Å; N210-K213 PolarHBondContact O-N 3.08Å; N210-K213 PolarHBondContact OD1-NZ 3.12Å; N210-L214 WeakPolarHBondContact O-CB 3.45Å; N210-L214 PolarHBondContact O-N 3.12Å
211L96.1Very high90.5Very high3 Ų350.6 Ų50.62%0.01624%0.238CC..Hα-helixtrans-59.2-44.3170.6-84.6165.8000111.5I181 A207 K208 K213 L214 R215 L236 E237 Y240I181-L211 HydrophobicContact CD1-CD2 3.97Å; I181-L211 HydrophobicContact CD1-CG 4.04Å; I181-L211 HydrophobicContact CG1-CG 4.24Å; I181-L211 HydrophobicContact CG2-CD1 4.38Å; I181-L211 HydrophobicContact CG2-CD2 4.03Å; I181-L211 HydrophobicContact CG2-CG 3.89Å; A207-L211 WeakPolarHBondContact O-CB 3.5Å; A207-L211 WeakPolarHBondContact O-CG 3.43Å; A207-L211 PolarHBondContact O-N 3.17Å; K208-L211 WeakPolarHBondContact O-CB 3.47Å; K208-L211 PolarHBondContact O-N 2.97Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 2.98Å; L211-L214 PolarHBondContact O-N 3.07Å; L211-R215 WeakPolarHBondContact O-CB 3.27Å; L211-R215 PolarHBondContact O-N 3Å; L211-L236 HydrophobicContact CD2-CB 3.67Å; L211-L236 HydrophobicContact CD2-CD1 4.4Å; L211-E237 HydrophobicContact CD2-CG 4.26Å; L211-Y240 HydrophobicContact CD1-CG 4.24Å
212D93.8Very high88.1Confident34 Ų3454.7 Ų54.718%0.18228%0.281CS..Hα-helixtrans-64.7-38.2177-75.7-41.5000112.3K208 N210 R215 K216K208-D212 IonicContact NZ-OD1 3.86Å; K208-D212 PolarHBondContact NZ-OD1 3Å; K208-D212 IonicContact NZ-OD2 3.6Å; K208-D212 PolarHBondContact NZ-OD2 3.16Å; K208-D212 PolarHBondContact O-N 3.47Å; N210-D212 VanDerWaalsContact C-N 3.33Å; N210-D212 PolarHBondContact O-N 3.21Å; D212-R215 IonicContact OD1-CZ 2.8Å; D212-R215 IonicContact OD1-NE 3.31Å; D212-R215 IonicContact OD1-NH2 3.76Å; D212-R215 PolarHBondContact OD1-NH2 3.46Å; D212-K216 WeakPolarHBondContact O-CB 3.25Å; D212-K216 VanDerWaalsContact O-CG 3.28Å; D212-K216 WeakPolarHBondContact O-CG 3.31Å; D212-K216 PolarHBondContact O-N 2.97Å
213K95Very high85.4Confident115 Ų11556 Ų5650%0.530%0.295SS..Hα-helixtrans-63.3-46.1172.5-69.3170.5-166.21680111.6L177 D209 N210 L211 K216 L217L177-K213 HydrophobicContact CD1-CB 4.08Å; L177-K213 HydrophobicContact CD2-CB 4.05Å; L177-K213 HydrophobicContact CD2-CD 4.29Å; D209-K213 WeakPolarHBondContact O-CG 3.19Å; D209-K213 PolarHBondContact O-N 2.95Å; N210-K213 WeakPolarHBondContact O-CB 3.42Å; N210-K213 PolarHBondContact O-N 3.08Å; N210-K213 PolarHBondContact OD1-NZ 3.12Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 2.98Å; K213-K216 PolarHBondContact O-N 3.31Å; K213-L217 WeakPolarHBondContact O-CB 3.37Å; K213-L217 PolarHBondContact O-N 3.4Å
214L94.6Very high82.7Confident3 Ų362.8 Ų62.82%0.01634%0.335CS..Hα-helixtrans-61.4-46.9179-178.962.4000110.8L177 I181 N210 L211 K216 L217 L218 V233 L236L177-L214 HydrophobicContact CB-CB 4.25Å; L177-L214 HydrophobicContact CB-CD1 4.11Å; L177-L214 HydrophobicContact CD1-CB 4.3Å; L177-L214 HydrophobicContact CD1-CD1 4.46Å; I181-L214 HydrophobicContact CD1-CB 3.99Å; I181-L214 HydrophobicContact CD1-CD2 3.68Å; I181-L214 HydrophobicContact CD1-CG 4.48Å; N210-L214 WeakPolarHBondContact O-CB 3.45Å; N210-L214 PolarHBondContact O-N 3.12Å; L211-L214 PolarHBondContact O-N 3.07Å; L214-K216 PolarHBondContact O-N 3.34Å; L214-L217 WeakPolarHBondContact O-CB 3.26Å; L214-L217 PolarHBondContact O-N 3.27Å; L214-L218 HydrophobicContact CD1-CD1 3.78Å; L214-L218 HydrophobicContact CD1-CD2 4.49Å; L214-L218 HydrophobicContact CD1-CG 4Å; L214-L218 HydrophobicContact CG-CD1 3.91Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 VanDerWaalsContact O-CG 3.31Å; L214-L218 WeakPolarHBondContact O-CG 3.29Å; L214-L218 PolarHBondContact O-N 3.43Å; L214-V233 HydrophobicContact CD2-CG2 4.36Å; L214-L236 HydrophobicContact CD2-CD1 4.11Å
215R91.4Very high80.1Confident106 Ų10665.8 Ų65.840%0.436%0.357SS..Hα-helixtrans-57.7-46.9176.5-177.4175.461.4159.1-1.6111.9L211 D212 L218 N219L211-R215 WeakPolarHBondContact O-CB 3.27Å; L211-R215 PolarHBondContact O-N 3Å; D212-R215 IonicContact OD1-CZ 2.8Å; D212-R215 IonicContact OD1-NE 3.31Å; D212-R215 IonicContact OD1-NH2 3.76Å; D212-R215 PolarHBondContact OD1-NH2 3.46Å; R215-L218 PolarHBondContact O-N 3.4Å; R215-N219 VanDerWaalsContact O-CB 3.26Å; R215-N219 WeakPolarHBondContact O-CB 3.48Å; R215-N219 VanDerWaalsContact O-CG 3.29Å; R215-N219 PolarHBondContact O-N 3.32Å; R215-N219 PolarHBondContact O-ND2 3.35Å
216K90.1Very high77.7Confident150 Ų15071.3 Ų71.365%0.65239%0.393SS*.Hα-helixtrans-62.3-42.3176.4-73.6174.7-177.5-179.40111.9D212 K213 L214 N219 S220D212-K216 WeakPolarHBondContact O-CB 3.25Å; D212-K216 VanDerWaalsContact O-CG 3.28Å; D212-K216 WeakPolarHBondContact O-CG 3.31Å; D212-K216 PolarHBondContact O-N 2.97Å; K213-K216 PolarHBondContact O-N 3.31Å; L214-K216 PolarHBondContact O-N 3.34Å; K216-N219 PolarHBondContact O-N 3.09Å; K216-S220 WeakPolarHBondContact O-CB 3.29Å; K216-S220 PolarHBondContact O-N 3.31Å
217L90.9Very high75.5Confident25 Ų2568.8 Ų68.813%0.13140%0.395CS..Hα-helixtrans-61.2-45.7179.3-177.867.9000111.7H170 Q173 L177 K213 L214 S220H170-L217 PolarHBondContact NE2-O 3.02Å; H170-L217 VanDerWaalsContact NE2-O 3.12Å; Q173-L217 HydrophobicContact CB-CD2 3.87Å; L177-L217 HydrophobicContact CD1-CD2 4.01Å; K213-L217 WeakPolarHBondContact O-CB 3.37Å; K213-L217 PolarHBondContact O-N 3.4Å; L214-L217 WeakPolarHBondContact O-CB 3.26Å; L214-L217 PolarHBondContact O-N 3.27Å; L217-S220 PolarHBondContact O-OG 2.93Å
218L87.9Confident74Confident20 Ų2078.3 Ų78.311%0.10544%0.436CS..Hα-helixtrans-77.7-25-177-60180000113.5L23 L214 R215 L230 V233L23-L218 HydrophobicContact CD1-CD2 3.74Å; L214-L218 HydrophobicContact CD1-CD1 3.78Å; L214-L218 HydrophobicContact CD1-CD2 4.49Å; L214-L218 HydrophobicContact CD1-CG 4Å; L214-L218 HydrophobicContact CG-CD1 3.91Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 VanDerWaalsContact O-CG 3.31Å; L214-L218 WeakPolarHBondContact O-CG 3.29Å; L214-L218 PolarHBondContact O-N 3.43Å; R215-L218 PolarHBondContact O-N 3.4Å; L218-L230 HydrophobicContact CB-CD1 4.12Å; L218-L230 HydrophobicContact CD1-CD1 3.78Å; L218-L230 HydrophobicContact CG-CD1 4.47Å; L218-V233 HydrophobicContact CD1-CG2 3.74Å
219N80.8Confident73.1Confident71 Ų7177.7 Ų77.738%0.3843%0.434SS..THydrogen-bonded Turntrans-95.75.4-179.5-69-13.6000114.7R215 K216 K221R215-N219 VanDerWaalsContact O-CB 3.26Å; R215-N219 WeakPolarHBondContact O-CB 3.48Å; R215-N219 VanDerWaalsContact O-CG 3.29Å; R215-N219 PolarHBondContact O-N 3.32Å; R215-N219 PolarHBondContact O-ND2 3.35Å; K216-N219 PolarHBondContact O-N 3.09Å; N219-K221 PolarHBondContact O-N 3.44Å
220S60.4Low72.6Confident72 Ų7276.7 Ų76.750%0.50343%0.429SS..  trans-69.925.4-164.455.20000118.1K216 L217K216-S220 WeakPolarHBondContact O-CB 3.29Å; K216-S220 PolarHBondContact O-N 3.31Å; L217-S220 PolarHBondContact O-OG 2.93Å
221K54.3Low72.3Confident114 Ų11476.4 Ų76.450%0.49643%0.428SS..SBendtrans-139.297.8169.6-70.5-168.6178.1-178.30114.1N219 S223N219-K221 PolarHBondContact O-N 3.44Å; K221-S223 VanDerWaalsContact C-N 3.31Å; K221-S223 PolarHBondContact O-N 3.16Å
222G43.7Very low72.2Confident88 Ų8876.4 Ų76.491%0.90743%0.428SS*.  60.7-6.1125.400000122.5
223S38Very low72.2Confident80 Ų8075 Ų7556%0.55942%0.421SS*.  trans-85.4125.3177.870.10000111.4K221 S225K221-S223 VanDerWaalsContact C-N 3.31Å; K221-S223 PolarHBondContact O-N 3.16Å; S223-S225 PolarHBondContact O-N 3.49Å; S223-S225 VanDerWaalsContact O-N 3.09Å; S223-S225 PolarHBondContact OG-OG 2.98Å; S223-S225 VanDerWaalsContact OG-OG 3.07Å
224T40.5Very low72.1Confident152 Ų15269.7 Ų69.793%0.93340%0.398SS*.SBendtrans-67.62.7172.745.40000113.5
225S43Very low72.1Confident66 Ų6669.6 Ų69.646%0.46240%0.398SS..SBendtrans-83.3137.9173.159.70000110.1S223 S227S223-S225 PolarHBondContact O-N 3.49Å; S223-S225 VanDerWaalsContact O-N 3.09Å; S223-S225 PolarHBondContact OG-OG 2.98Å; S223-S225 VanDerWaalsContact OG-OG 3.07Å; S225-S227 PolarHBondContact O-N 3.21Å
226P44.6Very low72.3Confident126 Ų12664.6 Ų64.682%0.81838%0.378SS*.  trans-52.3112173.720.5-30.4000109.2K228P226-K228 PolarHBondContact O-N 3.12Å
227S51.2Low72.5Confident71 Ų7159 Ų5950%0.49736%0.355SS..  trans-58.4112.9-177.855.30000108.2S225 Q229S225-S227 PolarHBondContact O-N 3.21Å; S227-Q229 PolarHBondContact O-N 3.39Å
228K67.3Low72.7Confident199 Ų19960.8 Ų60.887%0.86536%0.36SS*.  trans-56.4115.6172.8-73.5-175.9179.7179.40107.6P226 L230P226-K228 PolarHBondContact O-N 3.12Å; K228-L230 PolarHBondContact O-N 3.16Å
229Q76.3Confident73.1Confident54 Ų5459.9 Ų59.925%0.25236%0.355SS..  trans-59.8127.5179.5-168.6174.819.500109.2S227 A234 E237S227-Q229 PolarHBondContact O-N 3.39Å; Q229-A234 HydrophobicContact CG-CB 3.95Å; Q229-E237 PolarHBondContact NE2-OE1 3.49Å; Q229-E237 PolarHBondContact NE2-OE2 3.02Å
230L87.7Confident73.8Confident40 Ų4058.2 Ų58.221%0.20934%0.344CS..  trans-65.1130.5178.3-68.6169.1000109.4L23 L218 K228 L232 V233 A234L23-L230 HydrophobicContact CD1-CD1 3.94Å; L218-L230 HydrophobicContact CB-CD1 4.12Å; L218-L230 HydrophobicContact CD1-CD1 3.78Å; L218-L230 HydrophobicContact CG-CD1 4.47Å; K228-L230 PolarHBondContact O-N 3.16Å; L230-L232 VanDerWaalsContact C-N 3.27Å; L230-L232 PolarHBondContact O-N 3.48Å; L230-V233 HydrophobicContact CB-CB 4.43Å; L230-V233 HydrophobicContact CB-CG2 4.09Å; L230-V233 PolarHBondContact O-N 2.72Å; L230-A234 PolarHBondContact O-N 2.88Å
231P91.2Very high75.4Confident16 Ų1655.6 Ų55.610%0.10433%0.326CS..Hα-helixtrans-51.4-40.6-177.2-32.137.1000114.6L69 A234 W235 F436L69-P231 HydrophobicContact CB-CB 4.49Å; L69-P231 HydrophobicContact CD1-CB 4.15Å; L69-P231 HydrophobicContact CG-CB 4.24Å; P231-A234 PolarHBondContact O-N 2.77Å; P231-W235 WeakPolarHBondContact O-CB 3.14Å; P231-W235 PolarHBondContact O-N 3.36Å; P231-F436 HydrophobicContact CB-CD2 3.98Å; P231-F436 HydrophobicContact CB-CE2 4.03Å; P231-F436 HydrophobicContact CG-CD2 4.5Å
232L93.9Very high77.3Confident2 Ų250.5 Ų50.51%0.0130%0.304CS..Hα-helixtrans-60.7-47.1175.6175.767.6000112.3Y66 L67 L69 Y129 E178 L230 A234 W235 L236Y66-L232 HydrophobicContact CD1-CD2 4.4Å; Y66-L232 HydrophobicContact CE1-CD2 3.79Å; L67-L232 HydrophobicContact CD2-CD2 3.52Å; L67-L232 WeakPolarHBondContact O-CB 3.26Å; L67-L232 PolarHBondContact O-N 3.46Å; L67-L232 VanDerWaalsContact O-N 3.09Å; L69-L232 HydrophobicContact CD2-CB 4.17Å; L69-L232 HydrophobicContact CD2-CD1 3.81Å; L69-L232 HydrophobicContact CG-CB 4.27Å; Y129-L232 HydrophobicContact CE2-CD1 4.26Å; Y129-L232 WeakPolarHBondContact OH-CD1 3.14Å; E178-L232 HydrophobicContact CG-CD2 4.49Å; L230-L232 VanDerWaalsContact C-N 3.27Å; L230-L232 PolarHBondContact O-N 3.48Å; L232-A234 VanDerWaalsContact C-N 3.33Å; L232-A234 PolarHBondContact O-N 2.96Å; L232-W235 WeakPolarHBondContact O-CB 3.45Å; L232-W235 PolarHBondContact O-N 3.48Å; L232-L236 HydrophobicContact CD1-CG 4.47Å; L232-L236 HydrophobicContact CG-CD1 4.29Å; L232-L236 WeakPolarHBondContact O-CG 3.42Å; L232-L236 PolarHBondContact O-N 3.31Å
233V93.6Very high79.8Confident6 Ų646.3 Ų46.34%0.03626%0.261CS..Hα-helixtrans-64.5-42.9179.8-179.60000110L214 L218 L230 W235 L236 E237L214-V233 HydrophobicContact CD2-CG2 4.36Å; L218-V233 HydrophobicContact CD1-CG2 3.74Å; L230-V233 HydrophobicContact CB-CB 4.43Å; L230-V233 HydrophobicContact CB-CG2 4.09Å; L230-V233 PolarHBondContact O-N 2.72Å; V233-W235 VanDerWaalsContact C-N 3.3Å; V233-W235 PolarHBondContact O-N 2.96Å; V233-L236 PolarHBondContact O-N 3.05Å; V233-E237 WeakPolarHBondContact O-CG 3.47Å; V233-E237 PolarHBondContact O-N 2.82Å
234A92.5Very high82.5Confident3 Ų343.9 Ų43.93%0.02524%0.242CC..Hα-helixtrans-60.7-40.4175.300000111.6Q229 L230 P231 L232 E237 R238 F436Q229-A234 HydrophobicContact CG-CB 3.95Å; L230-A234 PolarHBondContact O-N 2.88Å; P231-A234 PolarHBondContact O-N 2.77Å; L232-A234 VanDerWaalsContact C-N 3.33Å; L232-A234 PolarHBondContact O-N 2.96Å; A234-E237 PolarHBondContact O-N 2.88Å; A234-R238 WeakPolarHBondContact O-CG 3.23Å; A234-R238 PolarHBondContact O-N 3.47Å; A234-F436 HydrophobicContact CB-CB 3.93Å; A234-F436 HydrophobicContact CB-CD1 3.35Å; A234-F436 HydrophobicContact CB-CE1 4.03Å; A234-F436 HydrophobicContact CB-CG 3.83Å
235W94.9Very high85.1Confident1 Ų136.7 Ų36.70%0.00420%0.198CC..Hα-helixtrans-63.7-45.8175.4-179.581.3000112.5L69 Y129 L182 P231 L232 V233 E237 R238 F239 V425 L429 F436L69-W235 HydrophobicContact CD1-CB 4.01Å; L69-W235 HydrophobicContact CD1-CG 4.48Å; Y129-W235 HydrophobicContact CD1-CZ3 4.49Å; Y129-W235 HydrophobicContact CE1-CE3 4.35Å; Y129-W235 HydrophobicContact CE1-CH2 4.09Å; Y129-W235 AromaticContact CE1-CZ3 3.69Å; Y129-W235 HydrophobicContact CE1-CZ3 3.69Å; L182-W235 HydrophobicContact CD2-CH2 4.33Å; L182-W235 HydrophobicContact CD2-CZ3 3.88Å; P231-W235 WeakPolarHBondContact O-CB 3.14Å; P231-W235 PolarHBondContact O-N 3.36Å; L232-W235 WeakPolarHBondContact O-CB 3.45Å; L232-W235 PolarHBondContact O-N 3.48Å; V233-W235 VanDerWaalsContact C-N 3.3Å; V233-W235 PolarHBondContact O-N 2.96Å; W235-E237 VanDerWaalsContact C-N 3.32Å; W235-E237 PolarHBondContact O-N 3.33Å; W235-R238 WeakPolarHBondContact O-CB 3.42Å; W235-R238 PolarHBondContact O-N 3.48Å; W235-R238 VanDerWaalsContact O-N 3.13Å; W235-F239 AromaticContact CH2-CD1 3.8Å; W235-F239 HydrophobicContact CH2-CD1 3.8Å; W235-F239 HydrophobicContact CH2-CE1 4.4Å; W235-F239 HydrophobicContact CZ2-CD1 4.3Å; W235-F239 HydrophobicContact CZ3-CD1 4.24Å; W235-F239 PolarHBondContact O-N 3.3Å; W235-V425 HydrophobicContact CZ2-CG2 4.33Å; W235-V425 PolarHBondContact NE1-O 3.38Å; W235-L429 HydrophobicContact CD2-CD2 3.41Å; W235-L429 VanDerWaalsContact CD2-CD2 3.41Å; W235-L429 HydrophobicContact CD2-CG 4.1Å; W235-L429 VanDerWaalsContact CE2-CG 3.44Å; W235-L429 HydrophobicContact CE3-CD2 3.91Å; W235-L429 HydrophobicContact CG-CD2 3.79Å; W235-L429 HydrophobicContact CG-CG 4.41Å; W235-L429 HydrophobicContact CH2-CD1 4.41Å; W235-L429 HydrophobicContact CH2-CD2 4.15Å; W235-L429 HydrophobicContact CZ2-CD1 3.79Å; W235-L429 HydrophobicContact CZ2-CD2 3.69Å; W235-L429 HydrophobicContact CZ2-CG 3.69Å; W235-L429 HydrophobicContact CZ3-CD2 4.24Å; W235-F436 HydrophobicContact CB-CE1 4.31Å; W235-F436 HydrophobicContact CB-CZ 4.39Å
236L96.3Very high87.5Confident0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-62.4-39.4177-65.9167.7000111.9I181 L182 L185 L211 L214 L232 V233 R238 F239 Y240I181-L236 HydrophobicContact CG2-CB 4.4Å; I181-L236 HydrophobicContact CG2-CD1 4.37Å; I181-L236 HydrophobicContact CG2-CD2 4.1Å; L182-L236 HydrophobicContact CD2-CD2 3.66Å; L182-L236 HydrophobicContact CG-CD2 4.17Å; L185-L236 HydrophobicContact CD1-CD2 4.39Å; L211-L236 HydrophobicContact CD2-CB 3.67Å; L211-L236 HydrophobicContact CD2-CD1 4.4Å; L214-L236 HydrophobicContact CD2-CD1 4.11Å; L232-L236 HydrophobicContact CD1-CG 4.47Å; L232-L236 HydrophobicContact CG-CD1 4.29Å; L232-L236 WeakPolarHBondContact O-CG 3.42Å; L232-L236 PolarHBondContact O-N 3.31Å; V233-L236 PolarHBondContact O-N 3.05Å; L236-R238 VanDerWaalsContact C-N 3.35Å; L236-F239 PolarHBondContact O-N 2.97Å; L236-Y240 PolarHBondContact O-N 3.19Å
237E94.2Very high89.9Confident32 Ų3227.7 Ų27.715%0.1514%0.137CC..Hα-helixtrans-64.3-38.4173.4-74.3-179.6-17200112.2L211 Q229 V233 A234 W235 F239 Y240 A241L211-E237 HydrophobicContact CD2-CG 4.26Å; Q229-E237 PolarHBondContact NE2-OE1 3.49Å; Q229-E237 PolarHBondContact NE2-OE2 3.02Å; V233-E237 WeakPolarHBondContact O-CG 3.47Å; V233-E237 PolarHBondContact O-N 2.82Å; A234-E237 PolarHBondContact O-N 2.88Å; W235-E237 VanDerWaalsContact C-N 3.32Å; W235-E237 PolarHBondContact O-N 3.33Å; E237-F239 VanDerWaalsContact C-N 3.34Å; E237-Y240 PolarHBondContact O-N 2.8Å; E237-A241 WeakPolarHBondContact O-CB 3.45Å; E237-A241 PolarHBondContact O-N 3.29Å
238R94.1Very high91.9Very high63 Ų6324.5 Ų24.524%0.23812%0.115CC..Hα-helixtrans-65.7-38.8173.9-69-73.6174.5150.9-0.1111.2A234 W235 L236 A241 H242 V425 L428 S438A234-R238 WeakPolarHBondContact O-CG 3.23Å; A234-R238 PolarHBondContact O-N 3.47Å; W235-R238 WeakPolarHBondContact O-CB 3.42Å; W235-R238 PolarHBondContact O-N 3.48Å; W235-R238 VanDerWaalsContact O-N 3.13Å; L236-R238 VanDerWaalsContact C-N 3.35Å; R238-A241 PolarHBondContact O-N 3.42Å; R238-H242 PolarHBondContact O-N 2.85Å; R238-H242 PolarHBondContact O-ND1 3.02Å; R238-V425 HydrophobicContact CB-CG2 4.36Å; R238-L428 HydrophobicContact CB-CD1 4.19Å; R238-L428 HydrophobicContact CG-CD1 4.19Å; R238-S438 PolarHBondContact NH2-O 3.18Å; R238-S438 PolarHBondContact NH2-OG 3.28Å
239F96Very high93.2Very high2 Ų215 Ų151%0.0097%0.074CC..Hα-helixtrans-64.6-46.9176-171.3-170.3000111.2I139 L185 L186 W235 L236 E237 A241 H242 L243 L422 V425I139-F239 HydrophobicContact CD1-CE1 3.75Å; I139-F239 HydrophobicContact CD1-CE2 3.9Å; I139-F239 HydrophobicContact CD1-CZ 3.41Å; I139-F239 VanDerWaalsContact CD1-CZ 3.41Å; I139-F239 HydrophobicContact CG1-CE1 4.49Å; I139-F239 HydrophobicContact CG1-CZ 3.93Å; L185-F239 HydrophobicContact CB-CD1 4.08Å; L185-F239 HydrophobicContact CB-CE1 3.79Å; L185-F239 HydrophobicContact CB-CZ 4.09Å; L185-F239 HydrophobicContact CD1-CB 4.15Å; L185-F239 HydrophobicContact CD1-CD1 3.62Å; L185-F239 HydrophobicContact CD1-CE1 4.19Å; L185-F239 HydrophobicContact CD1-CG 4Å; L185-F239 HydrophobicContact CG-CD1 4.43Å; L186-F239 HydrophobicContact CD2-CZ 4.31Å; W235-F239 AromaticContact CH2-CD1 3.8Å; W235-F239 HydrophobicContact CH2-CD1 3.8Å; W235-F239 HydrophobicContact CH2-CE1 4.4Å; W235-F239 HydrophobicContact CZ2-CD1 4.3Å; W235-F239 HydrophobicContact CZ3-CD1 4.24Å; W235-F239 PolarHBondContact O-N 3.3Å; L236-F239 PolarHBondContact O-N 2.97Å; E237-F239 VanDerWaalsContact C-N 3.34Å; F239-A241 VanDerWaalsContact C-N 3.33Å; F239-A241 PolarHBondContact O-N 2.98Å; F239-H242 PolarHBondContact O-N 3.22Å; F239-L243 HydrophobicContact CD2-CD1 4.02Å; F239-L243 HydrophobicContact CD2-CG 3.96Å; F239-L243 HydrophobicContact CE2-CD1 3.58Å; F239-L243 HydrophobicContact CE2-CD2 4Å; F239-L243 HydrophobicContact CE2-CG 3.69Å; F239-L243 HydrophobicContact CZ-CD1 4.13Å; F239-L243 PolarHBondContact O-N 3.12Å; F239-L243 VanDerWaalsContact O-N 3.1Å; F239-L422 HydrophobicContact CE2-CD1 3.73Å; F239-L422 HydrophobicContact CE2-CD2 4.43Å; F239-L422 HydrophobicContact CZ-CD1 4.44Å; F239-V425 HydrophobicContact CB-CG2 3.79Å; F239-V425 HydrophobicContact CD2-CG1 4.2Å; F239-V425 HydrophobicContact CG-CG2 4.38Å
240Y96.6Very high94.2Very high35 Ų3512.4 Ų12.414%0.1376%0.062CC..Hα-helixtrans-53-48.8170.5172.9-98.8000112.3L185 L204 A207 K208 L211 L236 E237 H242 L243 L244L185-Y240 HydrophobicContact CD2-CD2 4.17Å; L204-Y240 HydrophobicContact CB-CE2 4.17Å; L204-Y240 HydrophobicContact CD2-CD2 4.06Å; L204-Y240 HydrophobicContact CD2-CE2 4.03Å; L204-Y240 VanDerWaalsContact O-CE2 3.32Å; L204-Y240 WeakPolarHBondContact O-CE2 3.25Å; A207-Y240 HydrophobicContact CB-CD2 4.44Å; K208-Y240 HydrophobicContact CB-CE2 3.85Å; K208-Y240 HydrophobicContact CD-CD1 4.42Å; K208-Y240 HydrophobicContact CD-CE1 3.94Å; L211-Y240 HydrophobicContact CD1-CG 4.24Å; L236-Y240 PolarHBondContact O-N 3.19Å; E237-Y240 PolarHBondContact O-N 2.8Å; Y240-H242 VanDerWaalsContact C-N 3.35Å; Y240-H242 PolarHBondContact O-N 2.95Å; Y240-L243 PolarHBondContact O-N 3.5Å; Y240-L244 HydrophobicContact CE1-CD2 3.98Å; Y240-L244 WeakPolarHBondContact O-CB 3.45Å; Y240-L244 PolarHBondContact O-N 3.39Å
241A94Very high94.4Very high17 Ų1710.5 Ų10.514%0.145%0.052CC..Hα-helixtrans-63.6-35.8-178.700000113.4E237 R238 F239 S245E237-A241 WeakPolarHBondContact O-CB 3.45Å; E237-A241 PolarHBondContact O-N 3.29Å; R238-A241 PolarHBondContact O-N 3.42Å; F239-A241 VanDerWaalsContact C-N 3.33Å; F239-A241 PolarHBondContact O-N 2.98Å; A241-S245 VanDerWaalsContact O-CB 3.26Å; A241-S245 WeakPolarHBondContact O-CB 3.43Å; A241-S245 PolarHBondContact O-N 3.46Å
242H94.5Very high94.4Very high8 Ų810.3 Ų10.34%0.0375%0.049CC..Hα-helixtrans-66.4-43.8174.6-77.972.5000111.5R238 F239 Y240 S245 K246 L274 L422R238-H242 PolarHBondContact O-N 2.85Å; R238-H242 PolarHBondContact O-ND1 3.02Å; F239-H242 PolarHBondContact O-N 3.22Å; Y240-H242 VanDerWaalsContact C-N 3.35Å; Y240-H242 PolarHBondContact O-N 2.95Å; H242-S245 PolarHBondContact O-N 3.39Å; H242-K246 WeakPolarHBondContact O-CB 3.16Å; H242-K246 PolarHBondContact O-N 3.07Å; H242-L274 HydrophobicContact CB-CD1 4.37Å; H242-L274 WeakPolarHBondContact CE1-CD1 3.47Å; H242-L274 VanDerWaalsContact ND1-CD1 3.34Å; H242-L274 WeakPolarHBondContact ND1-CD1 3.44Å; H242-L274 WeakPolarHBondContact NE2-CD1 3.38Å; H242-L422 HydrophobicContact CB-CD2 3.73Å
243L96.2Very high94.1Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-67.9-39178.1-67.5179.5000112.3L185 A188 Q189 I192 L204 F239 Y240 K246 Y247 L422L185-L243 HydrophobicContact CB-CD1 4.02Å; L185-L243 HydrophobicContact CD2-CD1 3.95Å; L185-L243 WeakPolarHBondContact O-CD1 3.38Å; A188-L243 HydrophobicContact CB-CD1 4.19Å; Q189-L243 HydrophobicContact CB-CD1 4.48Å; Q189-L243 HydrophobicContact CB-CD2 3.86Å; Q189-L243 HydrophobicContact CG-CD2 4.43Å; Q189-L243 VanDerWaalsContact OE1-CD2 3.32Å; I192-L243 HydrophobicContact CD1-CB 4.13Å; I192-L243 HydrophobicContact CD1-CD2 4.25Å; L204-L243 HydrophobicContact CD2-CB 3.76Å; F239-L243 HydrophobicContact CD2-CD1 4.02Å; F239-L243 HydrophobicContact CD2-CG 3.96Å; F239-L243 HydrophobicContact CE2-CD1 3.58Å; F239-L243 HydrophobicContact CE2-CD2 4Å; F239-L243 HydrophobicContact CE2-CG 3.69Å; F239-L243 HydrophobicContact CZ-CD1 4.13Å; F239-L243 PolarHBondContact O-N 3.12Å; F239-L243 VanDerWaalsContact O-N 3.1Å; Y240-L243 PolarHBondContact O-N 3.5Å; L243-K246 PolarHBondContact O-N 3.23Å; L243-Y247 VanDerWaalsContact O-CB 3.3Å; L243-Y247 WeakPolarHBondContact O-CB 3.17Å; L243-Y247 PolarHBondContact O-N 2.85Å; L243-L422 HydrophobicContact CD2-CD1 3.95Å; L243-L422 HydrophobicContact CD2-CD2 4.11Å
244L94.7Very high93.8Very high29 Ų2913 Ų1315%0.1526%0.062CC..Hα-helixtrans-60.9-47.7174.9-177.864.9000110.9L204 Y240 K246 Y247 T248 E272 L447L204-L244 HydrophobicContact CD1-CD1 4.39Å; Y240-L244 HydrophobicContact CE1-CD2 3.98Å; Y240-L244 WeakPolarHBondContact O-CB 3.45Å; Y240-L244 PolarHBondContact O-N 3.39Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.49Å; L244-Y247 WeakPolarHBondContact O-CB 3.31Å; L244-Y247 PolarHBondContact O-N 2.86Å; L244-T248 PolarHBondContact O-N 3.14Å; L244-T248 PolarHBondContact O-OG1 3.02Å; L244-T248 VanDerWaalsContact O-OG1 3.12Å; L244-E272 HydrophobicContact CD2-CG 4.43Å; L244-L447 HydrophobicContact CD1-CD1 3.46Å; L244-L447 VanDerWaalsContact CD1-CD1 3.46Å; L244-L447 HydrophobicContact CD1-CG 4.43Å
245S93.7Very high93.5Very high1 Ų113 Ų131%0.0076%0.061CC..Hα-helixtrans-60-42.8176.4167.10000113.2A241 H242 T248 L249 E272 L274 L276A241-S245 VanDerWaalsContact O-CB 3.26Å; A241-S245 WeakPolarHBondContact O-CB 3.43Å; A241-S245 PolarHBondContact O-N 3.46Å; H242-S245 PolarHBondContact O-N 3.39Å; S245-T248 PolarHBondContact O-N 3.29Å; S245-L249 WeakPolarHBondContact O-CB 3.45Å; S245-L249 PolarHBondContact O-N 3.33Å; S245-E272 VanDerWaalsContact CA-OE2 3.3Å; S245-E272 WeakPolarHBondContact CA-OE2 3.47Å; S245-L274 WeakPolarHBondContact CB-O 3.34Å; S245-L274 PolarHBondContact OG-O 3.47Å; S245-L276 VanDerWaalsContact OG-CD1 3.26Å; S245-L276 WeakPolarHBondContact OG-CD1 3.47Å; S245-L276 WeakPolarHBondContact OG-CG 3.38Å
246K95Very high93Very high2 Ų215 Ų151%0.0097%0.073CC..Hα-helixtrans-64.8-41.6175.1-173.7-176.8168.9-166.90112Q189 I192 H242 L243 L244 L249 Y250 E389 I420Q189-K246 VanDerWaalsContact NE2-NZ 3.2Å; I192-K246 HydrophobicContact CG2-CD 3.89Å; I192-K246 HydrophobicContact CG2-CG 3.94Å; H242-K246 WeakPolarHBondContact O-CB 3.16Å; H242-K246 PolarHBondContact O-N 3.07Å; L243-K246 PolarHBondContact O-N 3.23Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.49Å; K246-L249 PolarHBondContact O-N 2.76Å; K246-Y250 VanDerWaalsContact CE-CE2 3.48Å; K246-Y250 VanDerWaalsContact CE-CZ 3.44Å; K246-Y250 VanDerWaalsContact CE-OH 3.27Å; K246-Y250 WeakPolarHBondContact CE-OH 3.36Å; K246-Y250 HydrophobicContact CG-CD1 4.42Å; K246-Y250 HydrophobicContact CG-CE1 4.14Å; K246-Y250 HydrophobicContact CG-CE2 4.35Å; K246-Y250 WeakPolarHBondContact O-CB 3.43Å; K246-Y250 PolarHBondContact O-N 3.2Å; K246-E389 VanDerWaalsContact CE-OE2 3.25Å; K246-E389 WeakPolarHBondContact CE-OE2 3.34Å; K246-E389 IonicContact NZ-OE1 3.43Å; K246-E389 PolarHBondContact NZ-OE1 3.44Å; K246-E389 IonicContact NZ-OE2 3.83Å; K246-E389 PolarHBondContact NZ-OE2 2.98Å; K246-I420 HydrophobicContact CD-CG2 4.45Å
247Y95Very high92.3Very high0 Ų024 Ų240%011%0.107CC..Hα-helixtrans-58.4-53.3172.3174.1-80.8000110.2I192 F197 S200 L201 L204 L243 L244 L249 Y250 W251 L255 L447I192-Y247 HydrophobicContact CG1-CD2 4.44Å; F197-Y247 HydrophobicContact CD2-CE2 4.35Å; F197-Y247 WeakPolarHBondContact CD2-OH 3.35Å; F197-Y247 HydrophobicContact CE2-CE2 4.49Å; F197-Y247 AromaticContact CE2-CZ 3.82Å; F197-Y247 WeakPolarHBondContact CE2-OH 3.27Å; F197-Y247 WeakPolarHBondContact CZ-OH 3.32Å; S200-Y247 WeakPolarHBondContact OG-CD2 3.41Å; S200-Y247 VanDerWaalsContact OG-CE2 3.25Å; S200-Y247 WeakPolarHBondContact OG-CE2 3.41Å; L201-Y247 HydrophobicContact CB-CE2 3.99Å; L201-Y247 HydrophobicContact CD1-CE1 4.44Å; L204-Y247 HydrophobicContact CD1-CD2 3.95Å; L204-Y247 HydrophobicContact CD1-CG 3.89Å; L243-Y247 VanDerWaalsContact O-CB 3.3Å; L243-Y247 WeakPolarHBondContact O-CB 3.17Å; L243-Y247 PolarHBondContact O-N 2.85Å; L244-Y247 WeakPolarHBondContact O-CB 3.31Å; L244-Y247 PolarHBondContact O-N 2.86Å; Y247-L249 PolarHBondContact O-N 3.39Å; Y247-Y250 PolarHBondContact O-N 2.95Å; Y247-Y250 VanDerWaalsContact O-N 3.12Å; Y247-W251 HydrophobicContact CD1-CE3 4.28Å; Y247-W251 HydrophobicContact CD2-CD2 4.44Å; Y247-W251 AromaticContact CD2-CE3 3.36Å; Y247-W251 HydrophobicContact CD2-CE3 3.36Å; Y247-W251 AromaticContact CD2-CH2 3.95Å; Y247-W251 HydrophobicContact CD2-CH2 3.95Å; Y247-W251 AromaticContact CD2-CZ3 3.1Å; Y247-W251 HydrophobicContact CD2-CZ3 3.1Å; Y247-W251 HydrophobicContact CE2-CD2 4.31Å; Y247-W251 AromaticContact CE2-CE3 3.61Å; Y247-W251 HydrophobicContact CE2-CE3 3.61Å; Y247-W251 HydrophobicContact CE2-CH2 4.2Å; Y247-W251 AromaticContact CE2-CZ3 3.62Å; Y247-W251 HydrophobicContact CE2-CZ3 3.62Å; Y247-W251 AromaticContact CG-CE3 3.69Å; Y247-W251 HydrophobicContact CG-CE3 3.69Å; Y247-W251 AromaticContact CG-CZ3 3.71Å; Y247-W251 HydrophobicContact CG-CZ3 3.71Å; Y247-W251 PolarHBondContact O-N 3.27Å; Y247-W251 VanDerWaalsContact O-N 3.08Å; Y247-L255 HydrophobicContact CE1-CD1 4.48Å; Y247-L255 HydrophobicContact CE1-CD2 4.4Å; Y247-L447 HydrophobicContact CD1-CD1 3.91Å; Y247-L447 HydrophobicContact CE1-CD1 3.78Å
248T92.9Very high91.4Very high4 Ų425.3 Ų25.33%0.02512%0.12CC..Hα-helixtrans-55.9-40.8178.8-62.40000111.7L244 S245 F252 L255 A269 E272L244-T248 PolarHBondContact O-N 3.14Å; L244-T248 PolarHBondContact O-OG1 3.02Å; L244-T248 VanDerWaalsContact O-OG1 3.12Å; S245-T248 PolarHBondContact O-N 3.29Å; T248-F252 HydrophobicContact CG2-CD2 4.45Å; T248-F252 WeakPolarHBondContact O-CA 3.44Å; T248-F252 WeakPolarHBondContact O-CB 3.41Å; T248-F252 PolarHBondContact O-N 3.48Å; T248-L255 HydrophobicContact CG2-CD1 4.29Å; T248-A269 HydrophobicContact CG2-CB 4.15Å; T248-E272 WeakPolarHBondContact CB-OE1 3.18Å; T248-E272 PolarHBondContact OG1-OE1 3.28Å
249L94.8Very high90.4Very high0 Ų023.1 Ų23.10%012%0.116CC..Hα-helixtrans-64.4-50.2175.1178.561.5000112.9S245 K246 Y247 W251 F252 L276 V277 I280 L294 F330 I420S245-L249 WeakPolarHBondContact O-CB 3.45Å; S245-L249 PolarHBondContact O-N 3.33Å; K246-L249 PolarHBondContact O-N 2.76Å; Y247-L249 PolarHBondContact O-N 3.39Å; L249-W251 VanDerWaalsContact C-N 3.26Å; L249-W251 PolarHBondContact O-N 3.41Å; L249-F252 PolarHBondContact O-N 2.91Å; L249-L276 HydrophobicContact CB-CB 4.34Å; L249-L276 HydrophobicContact CD2-CB 4.02Å; L249-L276 HydrophobicContact CD2-CD1 3.9Å; L249-V277 HydrophobicContact CD1-CG2 3.98Å; L249-I280 HydrophobicContact CD1-CD1 3.52Å; L249-I280 HydrophobicContact CD2-CD1 3.88Å; L249-I280 HydrophobicContact CG-CD1 4.36Å; L249-L294 HydrophobicContact CD1-CD1 4.29Å; L249-L294 HydrophobicContact CD2-CD1 3.65Å; L249-L294 HydrophobicContact CG-CD1 3.77Å; L249-F330 HydrophobicContact CD1-CD1 4.06Å; L249-F330 HydrophobicContact CD1-CD2 3.67Å; L249-F330 HydrophobicContact CD1-CE1 4.14Å; L249-F330 HydrophobicContact CD1-CE2 3.75Å; L249-F330 HydrophobicContact CD1-CG 3.83Å; L249-F330 HydrophobicContact CD1-CZ 3.99Å; L249-I420 HydrophobicContact CD2-CD1 4.16Å
250Y95.5Very high89Confident0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-67.4-27.1-173.4-80.315.1000113.1I192 L195 K246 Y247 L294 H308 I329 E389 V392 I420I192-Y250 HydrophobicContact CG2-CD2 3.62Å; I192-Y250 HydrophobicContact CG2-CE2 3.87Å; I192-Y250 HydrophobicContact CG2-CG 4.45Å; L195-Y250 HydrophobicContact CD2-CD2 3.78Å; L195-Y250 HydrophobicContact CD2-CG 4.31Å; K246-Y250 VanDerWaalsContact CE-CE2 3.48Å; K246-Y250 VanDerWaalsContact CE-CZ 3.44Å; K246-Y250 VanDerWaalsContact CE-OH 3.27Å; K246-Y250 WeakPolarHBondContact CE-OH 3.36Å; K246-Y250 HydrophobicContact CG-CD1 4.42Å; K246-Y250 HydrophobicContact CG-CE1 4.14Å; K246-Y250 HydrophobicContact CG-CE2 4.35Å; K246-Y250 WeakPolarHBondContact O-CB 3.43Å; K246-Y250 PolarHBondContact O-N 3.2Å; Y247-Y250 PolarHBondContact O-N 2.95Å; Y247-Y250 VanDerWaalsContact O-N 3.12Å; Y250-L294 HydrophobicContact CD1-CD1 3.97Å; Y250-L294 HydrophobicContact CE1-CD1 3.82Å; Y250-H308 PolarHBondContact O-CE1 3.44Å; Y250-H308 PolarHBondContact O-NE2 3.45Å; Y250-I329 HydrophobicContact CD1-CD1 4.17Å; Y250-I329 HydrophobicContact CD2-CD1 4.41Å; Y250-I329 HydrophobicContact CG-CD1 4.1Å; Y250-E389 PolarHBondContact OH-OE2 3.33Å; Y250-V392 HydrophobicContact CE1-CG1 4.2Å; Y250-V392 HydrophobicContact CE2-CG2 3.8Å; Y250-V392 WeakPolarHBondContact OH-CG1 3.36Å; Y250-V392 WeakPolarHBondContact OH-CG2 3.35Å; Y250-I420 WeakPolarHBondContact OH-CG2 3.41Å
251W93.2Very high87.7Confident0 Ų030.3 Ų30.30%017%0.166CC..THydrogen-bonded Turntrans-11618.4177.8-67.2-79.3000112.9I192 L195 F197 S200 Y247 L249 E253 I254 L255 H308I192-W251 HydrophobicContact CB-CH2 4.29Å; I192-W251 HydrophobicContact CB-CZ3 4.37Å; I192-W251 HydrophobicContact CG1-CH2 4.11Å; I192-W251 HydrophobicContact CG1-CZ3 3.97Å; I192-W251 HydrophobicContact CG2-CH2 4.36Å; I192-W251 HydrophobicContact CG2-CZ3 4.11Å; L195-W251 HydrophobicContact CB-CZ2 4.39Å; L195-W251 HydrophobicContact CD2-CZ2 4.12Å; F197-W251 HydrophobicContact CB-CZ2 4.22Å; F197-W251 HydrophobicContact CD2-CB 4.27Å; F197-W251 AromaticContact CD2-CD1 3.58Å; F197-W251 AromaticContact CD2-CD2 3.91Å; F197-W251 HydrophobicContact CD2-CD2 3.91Å; F197-W251 AromaticContact CD2-CE2 3.93Å; F197-W251 AromaticContact CD2-CG 3.66Å; F197-W251 HydrophobicContact CD2-CG 3.66Å; F197-W251 AromaticContact CD2-NE1 3.73Å; F197-W251 HydrophobicContact CE2-CB 4.32Å; F197-W251 HydrophobicContact CE2-CG 4.2Å; S200-W251 VanDerWaalsContact OG-CH2 3.27Å; S200-W251 WeakPolarHBondContact OG-CH2 3.4Å; Y247-W251 HydrophobicContact CD1-CE3 4.28Å; Y247-W251 HydrophobicContact CD2-CD2 4.44Å; Y247-W251 AromaticContact CD2-CE3 3.36Å; Y247-W251 HydrophobicContact CD2-CE3 3.36Å; Y247-W251 AromaticContact CD2-CH2 3.95Å; Y247-W251 HydrophobicContact CD2-CH2 3.95Å; Y247-W251 AromaticContact CD2-CZ3 3.1Å; Y247-W251 HydrophobicContact CD2-CZ3 3.1Å; Y247-W251 HydrophobicContact CE2-CD2 4.31Å; Y247-W251 AromaticContact CE2-CE3 3.61Å; Y247-W251 HydrophobicContact CE2-CE3 3.61Å; Y247-W251 HydrophobicContact CE2-CH2 4.2Å; Y247-W251 AromaticContact CE2-CZ3 3.62Å; Y247-W251 HydrophobicContact CE2-CZ3 3.62Å; Y247-W251 AromaticContact CG-CE3 3.69Å; Y247-W251 HydrophobicContact CG-CE3 3.69Å; Y247-W251 AromaticContact CG-CZ3 3.71Å; Y247-W251 HydrophobicContact CG-CZ3 3.71Å; Y247-W251 PolarHBondContact O-N 3.27Å; Y247-W251 VanDerWaalsContact O-N 3.08Å; L249-W251 VanDerWaalsContact C-N 3.26Å; L249-W251 PolarHBondContact O-N 3.41Å; W251-E253 VanDerWaalsContact C-N 3.29Å; W251-E253 PolarHBondContact O-N 2.89Å; W251-I254 HydrophobicContact CB-CB 4.39Å; W251-I254 PolarHBondContact O-N 3.02Å; W251-L255 HydrophobicContact CB-CD1 4.47Å; W251-L255 HydrophobicContact CB-CG 4.33Å; W251-L255 VanDerWaalsContact O-CG 3.27Å; W251-L255 WeakPolarHBondContact O-CG 3.41Å; W251-L255 PolarHBondContact O-N 3.32Å; W251-H308 AromaticContact CD1-CE1 3.45Å; W251-H308 VanDerWaalsContact CD1-CE1 3.45Å; W251-H308 AromaticContact CD1-NE2 3.83Å; W251-H308 AromaticContact NE1-CE1 3.77Å
252F91.2Very high86.6Confident11 Ų1133.7 Ų33.75%0.04818%0.182CC..Hα-helixtrans-53.3-46.9-173.4-175.2-104.8000112.2T248 L249 I254 L255 V256 I265 V277 F330 L334T248-F252 HydrophobicContact CG2-CD2 4.45Å; T248-F252 WeakPolarHBondContact O-CA 3.44Å; T248-F252 WeakPolarHBondContact O-CB 3.41Å; T248-F252 PolarHBondContact O-N 3.48Å; L249-F252 PolarHBondContact O-N 2.91Å; F252-I254 VanDerWaalsContact C-N 3.33Å; F252-I254 PolarHBondContact O-N 2.66Å; F252-L255 PolarHBondContact O-N 3.32Å; F252-V256 HydrophobicContact CD1-CG2 4.13Å; F252-V256 HydrophobicContact CD2-CG2 4.48Å; F252-V256 HydrophobicContact CE1-CG2 3.7Å; F252-V256 HydrophobicContact CE2-CG2 4.1Å; F252-V256 HydrophobicContact CZ-CG2 3.68Å; F252-V256 WeakPolarHBondContact O-CB 3.26Å; F252-V256 VanDerWaalsContact O-CG2 3.29Å; F252-V256 WeakPolarHBondContact O-CG2 2.76Å; F252-V256 PolarHBondContact O-N 2.59Å; F252-I265 HydrophobicContact CD2-CG2 4.46Å; F252-I265 HydrophobicContact CE2-CG2 3.91Å; F252-V277 HydrophobicContact CB-CG2 4.17Å; F252-V277 HydrophobicContact CD1-CG1 4.11Å; F252-V277 HydrophobicContact CD2-CB 4.3Å; F252-V277 HydrophobicContact CD2-CG1 3.98Å; F252-V277 HydrophobicContact CD2-CG2 3.62Å; F252-V277 HydrophobicContact CE1-CG1 3.94Å; F252-V277 HydrophobicContact CE2-CB 4.36Å; F252-V277 HydrophobicContact CE2-CG1 3.79Å; F252-V277 HydrophobicContact CE2-CG2 4.16Å; F252-V277 HydrophobicContact CG-CG1 4.12Å; F252-V277 HydrophobicContact CG-CG2 3.87Å; F252-V277 HydrophobicContact CZ-CG1 3.77Å; F252-F330 HydrophobicContact CB-CD2 3.99Å; F252-F330 HydrophobicContact CB-CE2 4.1Å; F252-F330 HydrophobicContact CD1-CE2 4.02Å; F252-F330 HydrophobicContact CG-CE2 4.24Å; F252-L334 HydrophobicContact CD1-CD2 3.97Å; F252-L334 HydrophobicContact CE1-CD1 3.8Å; F252-L334 HydrophobicContact CE1-CD2 3.72Å; F252-L334 HydrophobicContact CE1-CG 4.33Å; F252-L334 HydrophobicContact CZ-CD1 4.2Å
253E86.6Confident85.5Confident40 Ų4038.7 Ų38.719%0.18721%0.205CC..Hα-helixtrans-64-37.1179.2-64.7-172.8-167.400112.6W251 R257 N331W251-E253 VanDerWaalsContact C-N 3.29Å; W251-E253 PolarHBondContact O-N 2.89Å; E253-R257 VanDerWaalsContact O-CG 3.27Å; E253-R257 WeakPolarHBondContact O-CG 3.31Å; E253-R257 PolarHBondContact O-N 2.79Å; E253-R257 VanDerWaalsContact O-N 3.09Å; E253-R257 IonicContact OE2-NH2 3.83Å; E253-N331 PolarHBondContact OE1-N 3.48Å; E253-N331 PolarHBondContact OE1-ND2 3.48Å
254I88.3Confident84.2Confident26 Ų2641.8 Ų41.813%0.13322%0.219CC..Hα-helixtrans-70.2-43.4177.3-59.1-60.3000110.8W251 F252 R257 S258 H308W251-I254 HydrophobicContact CB-CB 4.39Å; W251-I254 PolarHBondContact O-N 3.02Å; F252-I254 VanDerWaalsContact C-N 3.33Å; F252-I254 PolarHBondContact O-N 2.66Å; I254-R257 PolarHBondContact O-N 2.7Å; I254-S258 WeakPolarHBondContact O-CB 3.47Å; I254-S258 PolarHBondContact O-N 3Å; I254-S258 PolarHBondContact O-OG 3.49Å; I254-H308 WeakPolarHBondContact CD1-O 3.09Å; I254-H308 VanDerWaalsContact CG1-CD2 3.41Å; I254-H308 WeakPolarHBondContact CG1-CD2 3.33Å
255L86.8Confident83.1Confident3 Ų340.6 Ų40.62%0.01621%0.213CC..Hα-helixtrans-56.8-53.8175-66.9168.4000108.7Y247 T248 W251 F252 R257 S258 A259 I265 F451Y247-L255 HydrophobicContact CE1-CD1 4.48Å; Y247-L255 HydrophobicContact CE1-CD2 4.4Å; T248-L255 HydrophobicContact CG2-CD1 4.29Å; W251-L255 HydrophobicContact CB-CD1 4.47Å; W251-L255 HydrophobicContact CB-CG 4.33Å; W251-L255 VanDerWaalsContact O-CG 3.27Å; W251-L255 WeakPolarHBondContact O-CG 3.41Å; W251-L255 PolarHBondContact O-N 3.32Å; F252-L255 PolarHBondContact O-N 3.32Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 3.46Å; L255-S258 PolarHBondContact O-N 3.04Å; L255-A259 PolarHBondContact O-N 3.3Å; L255-I265 HydrophobicContact CB-CD1 3.91Å; L255-I265 WeakPolarHBondContact O-CD1 3.46Å; L255-F451 HydrophobicContact CD2-CE2 3.49Å; L255-F451 VanDerWaalsContact CD2-CE2 3.49Å; L255-F451 HydrophobicContact CD2-CZ 3.66Å
256V83.9Confident82Confident42 Ų4244.3 Ų44.326%0.25523%0.231SC..Hα-helixtrans-53.9-44.4179.6165.30000112.3F252 S258 L262 I265F252-V256 HydrophobicContact CD1-CG2 4.13Å; F252-V256 HydrophobicContact CD2-CG2 4.48Å; F252-V256 HydrophobicContact CE1-CG2 3.7Å; F252-V256 HydrophobicContact CE2-CG2 4.1Å; F252-V256 HydrophobicContact CZ-CG2 3.68Å; F252-V256 WeakPolarHBondContact O-CB 3.26Å; F252-V256 VanDerWaalsContact O-CG2 3.29Å; F252-V256 WeakPolarHBondContact O-CG2 2.76Å; F252-V256 PolarHBondContact O-N 2.59Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 PolarHBondContact O-N 2.76Å; V256-L262 HydrophobicContact CB-CD1 4.28Å; V256-L262 HydrophobicContact CG1-CD1 3.46Å; V256-L262 VanDerWaalsContact CG1-CD1 3.46Å; V256-L262 HydrophobicContact CG2-CD1 3.95Å; V256-I265 HydrophobicContact CG2-CG2 4.06Å
257R80.7Confident80.7Confident189 Ų18948.6 Ų48.671%0.71325%0.25SS*.Hα-helixtrans-69.6-25.3178.1-70.7173.7-170.6179.28.1113.6E253 I254 L255E253-R257 VanDerWaalsContact O-CG 3.27Å; E253-R257 WeakPolarHBondContact O-CG 3.31Å; E253-R257 PolarHBondContact O-N 2.79Å; E253-R257 VanDerWaalsContact O-N 3.09Å; E253-R257 IonicContact OE2-NH2 3.83Å; I254-R257 PolarHBondContact O-N 2.7Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 3.46Å
258S76.7Confident79.4Confident59 Ų5950.1 Ų50.141%0.41326%0.26SS..Hα-helixtrans-91.7-22-176-54.20000113.1I254 L255 V256I254-S258 WeakPolarHBondContact O-CB 3.47Å; I254-S258 PolarHBondContact O-N 3Å; I254-S258 PolarHBondContact O-OG 3.49Å; L255-S258 PolarHBondContact O-N 3.04Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 PolarHBondContact O-N 2.76Å
259A72.7Confident78.2Confident18 Ų1850.1 Ų50.115%0.14926%0.26CS..  trans-75.4140.6176.300000112.2L255 N261 I265 L450L255-A259 PolarHBondContact O-N 3.3Å; A259-N261 PolarHBondContact O-N 2.99Å; A259-I265 HydrophobicContact CB-CD1 3.2Å; A259-I265 HydrophobicContact CB-CG1 3.66Å; A259-L450 HydrophobicContact CB-CD2 4.02Å
260S66.6Low76.9Confident126 Ų12655 Ų5588%0.88129%0.287SS*.SBendtrans-68.1-20.5168.4-47.40000112.5
261N68.9Low75.7Confident61 Ų6156 Ų5633%0.32629%0.293SS..  trans-138.8112-177-174.9-4.8000111A259 Q263 E264A259-N261 PolarHBondContact O-N 2.99Å; N261-Q263 PolarHBondContact O-N 3.46Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.38Å; N261-Q263 PolarHBondContact OD1-N 3.44Å; N261-E264 HydrophobicContact CB-CB 4.33Å; N261-E264 HydrophobicContact CB-CG 3.9Å; N261-E264 WeakPolarHBondContact O-CB 3.44Å; N261-E264 PolarHBondContact O-N 3.44Å; N261-E264 VanDerWaalsContact O-N 3.12Å
262L71.2Confident74.8Confident89 Ų8956.9 Ų56.947%0.46630%0.297SS..Hα-helixtrans-56-38.1177-177.670.4000112V256 E264 I265 E266V256-L262 HydrophobicContact CB-CD1 4.28Å; V256-L262 HydrophobicContact CG1-CD1 3.46Å; V256-L262 VanDerWaalsContact CG1-CD1 3.46Å; V256-L262 HydrophobicContact CG2-CD1 3.95Å; L262-E264 PolarHBondContact O-N 3.44Å; L262-I265 PolarHBondContact O-N 3.46Å; L262-E266 PolarHBondContact O-N 3.17Å; L262-E266 VanDerWaalsContact O-N 3.07Å
263Q70.7Confident73.8Confident112 Ų11260.3 Ų60.352%0.52332%0.316SS..Hα-helixtrans-61.7-34.3-178.9-167.5-177.8-19.700111.4N261 I265 E266 E267N261-Q263 PolarHBondContact O-N 3.46Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.38Å; N261-Q263 PolarHBondContact OD1-N 3.44Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 3.04Å; Q263-E266 PolarHBondContact O-N 3.08Å; Q263-E267 HydrophobicContact CG-CG 4.32Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.2Å; Q263-E267 PolarHBondContact NE2-OE1 3.06Å; Q263-E267 WeakPolarHBondContact O-CB 3.28Å; Q263-E267 WeakPolarHBondContact O-CG 3.41Å; Q263-E267 PolarHBondContact O-N 3.45Å
264E70.1Confident73.6Confident65 Ų6560.1 Ų60.130%0.30432%0.316SS..Hα-helixtrans-67.7-35.2179.2-72.5177-167.500112.5N261 L262 T268N261-E264 HydrophobicContact CB-CB 4.33Å; N261-E264 HydrophobicContact CB-CG 3.9Å; N261-E264 WeakPolarHBondContact O-CB 3.44Å; N261-E264 PolarHBondContact O-N 3.44Å; N261-E264 VanDerWaalsContact O-N 3.12Å; L262-E264 PolarHBondContact O-N 3.44Å; E264-T268 VanDerWaalsContact O-CB 3.28Å; E264-T268 WeakPolarHBondContact O-CB 3.21Å; E264-T268 PolarHBondContact O-N 3.34Å; E264-T268 PolarHBondContact O-OG1 3.21Å
265I70.2Confident73.6Confident5 Ų559.8 Ų59.83%0.02632%0.315CS..Hα-helixtrans-73.9-45.2177.1-71.3-178.3000110.6F252 L255 V256 A259 L262 Q263 E267 T268 A269 L450F252-I265 HydrophobicContact CD2-CG2 4.46Å; F252-I265 HydrophobicContact CE2-CG2 3.91Å; L255-I265 HydrophobicContact CB-CD1 3.91Å; L255-I265 WeakPolarHBondContact O-CD1 3.46Å; V256-I265 HydrophobicContact CG2-CG2 4.06Å; A259-I265 HydrophobicContact CB-CD1 3.2Å; A259-I265 HydrophobicContact CB-CG1 3.66Å; L262-I265 PolarHBondContact O-N 3.46Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 3.04Å; I265-E267 VanDerWaalsContact C-N 3.28Å; I265-E267 PolarHBondContact O-N 2.84Å; I265-T268 PolarHBondContact O-N 3.17Å; I265-T268 VanDerWaalsContact O-N 3.17Å; I265-A269 WeakPolarHBondContact O-CB 3.48Å; I265-A269 PolarHBondContact O-N 2.79Å; I265-L450 HydrophobicContact CG1-CD1 4.15Å; I265-L450 HydrophobicContact CG1-CD2 4.49Å
266E70.4Confident73.9Confident79 Ų7959.8 Ų59.837%0.36932%0.315SS..Hα-helixtrans-60.5-43.3175.3-69.8-173.1161.100110.4L262 Q263 T268 A269 N270L262-E266 PolarHBondContact O-N 3.17Å; L262-E266 VanDerWaalsContact O-N 3.07Å; Q263-E266 PolarHBondContact O-N 3.08Å; E266-T268 PolarHBondContact O-N 3.27Å; E266-A269 PolarHBondContact O-N 3.32Å; E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.09Å; E266-N270 PolarHBondContact O-ND2 2.9Å
267E68.4Low74.3Confident91 Ų9158.2 Ų58.243%0.42531%0.305SS..Hα-helixtrans-59.2-45.3173-78.6174.6-170.800111.5Q263 I265 N270 S271Q263-E267 HydrophobicContact CG-CG 4.32Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.2Å; Q263-E267 PolarHBondContact NE2-OE1 3.06Å; Q263-E267 WeakPolarHBondContact O-CB 3.28Å; Q263-E267 WeakPolarHBondContact O-CG 3.41Å; Q263-E267 PolarHBondContact O-N 3.45Å; I265-E267 VanDerWaalsContact C-N 3.28Å; I265-E267 PolarHBondContact O-N 2.84Å; E267-N270 PolarHBondContact O-N 3.03Å; E267-S271 WeakPolarHBondContact O-CB 3.39Å; E267-S271 PolarHBondContact O-N 3.02Å
268T66.7Low74.9Confident32 Ų3250.9 Ų50.920%0.19629%0.285CS..Hα-helixtrans-64.3-45.4178.8-60.30000111.9E264 I265 E266 S271 E272 L447E264-T268 VanDerWaalsContact O-CB 3.28Å; E264-T268 WeakPolarHBondContact O-CB 3.21Å; E264-T268 PolarHBondContact O-N 3.34Å; E264-T268 PolarHBondContact O-OG1 3.21Å; I265-T268 PolarHBondContact O-N 3.17Å; I265-T268 VanDerWaalsContact O-N 3.17Å; E266-T268 PolarHBondContact O-N 3.27Å; T268-S271 WeakPolarHBondContact O-CA 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.48Å; T268-S271 PolarHBondContact O-N 3.09Å; T268-S271 PolarHBondContact O-OG 2.79Å; T268-E272 PolarHBondContact O-N 3.45Å; T268-L447 HydrophobicContact CG2-CD2 4.07Å
269A67.8Low75.7Confident4 Ų451.3 Ų51.33%0.03328%0.283CS..Hα-helixtrans-65.9-43.9176.500000111.3T248 I265 E266 S271 E272 N275T248-A269 HydrophobicContact CG2-CB 4.15Å; I265-A269 WeakPolarHBondContact O-CB 3.48Å; I265-A269 PolarHBondContact O-N 2.79Å; E266-A269 PolarHBondContact O-N 3.32Å; A269-S271 PolarHBondContact O-N 3.5Å; A269-E272 WeakPolarHBondContact O-CB 3.21Å; A269-E272 PolarHBondContact O-N 3.41Å; A269-E272 VanDerWaalsContact O-N 3.08Å; A269-N275 VanDerWaalsContact C-ND2 3.34Å; A269-N275 VanDerWaalsContact O-CB 3.32Å; A269-N275 WeakPolarHBondContact O-CB 3.27Å; A269-N275 PolarHBondContact O-ND2 3.25Å
270N68.6Low76.8Confident104 Ų10450.5 Ų50.556%0.55628%0.276SS*.Hα-helixtrans-63.2-26.1173.4-71.9-32000112.6E266 E267 N275E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.09Å; E266-N270 PolarHBondContact O-ND2 2.9Å; E267-N270 PolarHBondContact O-N 3.03Å; N270-N275 VanDerWaalsContact CA-ND2 3.26Å; N270-N275 WeakPolarHBondContact CA-ND2 3.35Å; N270-N275 PolarHBondContact N-ND2 2.97Å; N270-N275 PolarHBondContact OD1-ND2 3.19Å
271S70.5Confident78.1Confident20 Ų2045.8 Ų45.814%0.1424%0.242CC..Hα-helixtrans-64.5-47.4173.5109.80000109.7E267 T268 A269 N273 R444E267-S271 WeakPolarHBondContact O-CB 3.39Å; E267-S271 PolarHBondContact O-N 3.02Å; T268-S271 WeakPolarHBondContact O-CA 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.48Å; T268-S271 PolarHBondContact O-N 3.09Å; T268-S271 PolarHBondContact O-OG 2.79Å; A269-S271 PolarHBondContact O-N 3.5Å; S271-N273 PolarHBondContact O-N 3.41Å; S271-R444 PolarHBondContact O-NH1 3.31Å; S271-R444 PolarHBondContact O-NH2 3.19Å; S271-R444 WeakPolarHBondContact OG-CD 3.22Å; S271-R444 VanDerWaalsContact OG-CZ 3.22Å; S271-R444 PolarHBondContact OG-NE 3.33Å; S271-R444 PolarHBondContact OG-NH1 3.33Å; S271-R444 VanDerWaalsContact OG-NH1 3.1Å
272E73.8Confident79.3Confident18 Ų1849.7 Ų49.78%0.08425%0.252CS..SBendtrans-54.4133.2-171.7-66.1172.7-178.400112.2L244 S245 T248 T268 A269 L274 N275L244-E272 HydrophobicContact CD2-CG 4.43Å; S245-E272 VanDerWaalsContact CA-OE2 3.3Å; S245-E272 WeakPolarHBondContact CA-OE2 3.47Å; T248-E272 WeakPolarHBondContact CB-OE1 3.18Å; T248-E272 PolarHBondContact OG1-OE1 3.28Å; T268-E272 PolarHBondContact O-N 3.45Å; A269-E272 WeakPolarHBondContact O-CB 3.21Å; A269-E272 PolarHBondContact O-N 3.41Å; A269-E272 VanDerWaalsContact O-N 3.08Å; E272-L274 PolarHBondContact O-N 2.68Å; E272-N275 PolarHBondContact O-N 3.36Å
273N69.8Low80.5Confident83 Ų8346.4 Ų46.444%0.44423%0.234SC..THydrogen-bonded Turntrans-55.9-23.1178.7-70.5-22.3000112.9S271S271-N273 PolarHBondContact O-N 3.41Å
274L83Confident81.8Confident37 Ų3742.1 Ų42.119%0.19421%0.214CC..THydrogen-bonded Turntrans-124.970.2179.4-66.3169000108.6H242 S245 E272 L276H242-L274 HydrophobicContact CB-CD1 4.37Å; H242-L274 WeakPolarHBondContact CE1-CD1 3.47Å; H242-L274 VanDerWaalsContact ND1-CD1 3.34Å; H242-L274 WeakPolarHBondContact ND1-CD1 3.44Å; H242-L274 WeakPolarHBondContact NE2-CD1 3.38Å; S245-L274 WeakPolarHBondContact CB-O 3.34Å; S245-L274 PolarHBondContact OG-O 3.47Å; E272-L274 PolarHBondContact O-N 2.68Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 2.91Å
275N87.9Confident83Confident19 Ų1947.1 Ų47.110%0.10223%0.23CC..  trans-71.887.7177.2-172.5-11.7000111.4A269 N270 E272 V277 A278 N279A269-N275 VanDerWaalsContact C-ND2 3.34Å; A269-N275 VanDerWaalsContact O-CB 3.32Å; A269-N275 WeakPolarHBondContact O-CB 3.27Å; A269-N275 PolarHBondContact O-ND2 3.25Å; N270-N275 VanDerWaalsContact CA-ND2 3.26Å; N270-N275 WeakPolarHBondContact CA-ND2 3.35Å; N270-N275 PolarHBondContact N-ND2 2.97Å; N270-N275 PolarHBondContact OD1-ND2 3.19Å; E272-N275 PolarHBondContact O-N 3.36Å; N275-V277 VanDerWaalsContact C-N 3.33Å; N275-V277 PolarHBondContact O-N 3.07Å; N275-V277 PolarHBondContact OD1-N 3.2Å; N275-A278 HydrophobicContact CB-CB 4.17Å; N275-A278 WeakPolarHBondContact ND2-CB 3.41Å; N275-A278 PolarHBondContact OD1-N 3.28Å; N275-N279 WeakPolarHBondContact O-CB 3.33Å; N275-N279 PolarHBondContact O-N 3.41Å; N275-N279 VanDerWaalsContact O-N 3.08Å; N275-N279 PolarHBondContact O-ND2 3.38Å
276L93.3Very high84.2Confident3 Ų352.5 Ų52.52%0.01626%0.255CS..Hα-helixtrans-65.9-35.9-179.6-75.3176.9000112.2S245 L249 L274 N279 I280 L416 T419 I420S245-L276 VanDerWaalsContact OG-CD1 3.26Å; S245-L276 WeakPolarHBondContact OG-CD1 3.47Å; S245-L276 WeakPolarHBondContact OG-CG 3.38Å; L249-L276 HydrophobicContact CB-CB 4.34Å; L249-L276 HydrophobicContact CD2-CB 4.02Å; L249-L276 HydrophobicContact CD2-CD1 3.9Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 2.91Å; L276-N279 PolarHBondContact O-N 3.36Å; L276-I280 WeakPolarHBondContact O-CD1 3.44Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.47Å; L276-I280 PolarHBondContact O-N 2.88Å; L276-L416 HydrophobicContact CD2-CD1 3.77Å; L276-T419 HydrophobicContact CD1-CG2 4.25Å; L276-T419 HydrophobicContact CD2-CG2 3.93Å; L276-T419 HydrophobicContact CG-CG2 4.44Å; L276-I420 HydrophobicContact CD1-CG1 4.49Å
277V93.1Very high85.3Confident8 Ų849.8 Ų49.85%0.04825%0.245CC..Hα-helixtrans-63.3-47.7179.6177.50000110.7L249 F252 N275 I280 T281 F330 L334L249-V277 HydrophobicContact CD1-CG2 3.98Å; F252-V277 HydrophobicContact CB-CG2 4.17Å; F252-V277 HydrophobicContact CD1-CG1 4.11Å; F252-V277 HydrophobicContact CD2-CB 4.3Å; F252-V277 HydrophobicContact CD2-CG1 3.98Å; F252-V277 HydrophobicContact CD2-CG2 3.62Å; F252-V277 HydrophobicContact CE1-CG1 3.94Å; F252-V277 HydrophobicContact CE2-CB 4.36Å; F252-V277 HydrophobicContact CE2-CG1 3.79Å; F252-V277 HydrophobicContact CE2-CG2 4.16Å; F252-V277 HydrophobicContact CG-CG1 4.12Å; F252-V277 HydrophobicContact CG-CG2 3.87Å; F252-V277 HydrophobicContact CZ-CG1 3.77Å; N275-V277 VanDerWaalsContact C-N 3.33Å; N275-V277 PolarHBondContact O-N 3.07Å; N275-V277 PolarHBondContact OD1-N 3.2Å; V277-I280 PolarHBondContact O-N 3.27Å; V277-T281 WeakPolarHBondContact O-CB 3.25Å; V277-T281 PolarHBondContact O-N 2.92Å; V277-T281 PolarHBondContact O-OG1 3.2Å; V277-F330 HydrophobicContact CG1-CE2 4.11Å; V277-F330 HydrophobicContact CG1-CZ 4.28Å; V277-F330 HydrophobicContact CG2-CE2 4.18Å; V277-L334 HydrophobicContact CG1-CD1 4.45Å; V277-L334 HydrophobicContact CG1-CD2 4.26Å
278A91.6Very high86.6Confident36 Ų3651.5 Ų51.530%0.29826%0.257SS..Hα-helixtrans-65.8-38.717600000112N275 T281 R282N275-A278 HydrophobicContact CB-CB 4.17Å; N275-A278 WeakPolarHBondContact ND2-CB 3.41Å; N275-A278 PolarHBondContact OD1-N 3.28Å; A278-T281 PolarHBondContact O-N 3.44Å; A278-R282 WeakPolarHBondContact O-CB 3.34Å; A278-R282 PolarHBondContact O-N 3.49Å
279N93.5Very high88Confident67 Ų6750 Ų5036%0.35825%0.248SC..Hα-helixtrans-62-45176.9-73-21000111.9N275 L276 F283N275-N279 WeakPolarHBondContact O-CB 3.33Å; N275-N279 PolarHBondContact O-N 3.41Å; N275-N279 VanDerWaalsContact O-N 3.08Å; N275-N279 PolarHBondContact O-ND2 3.38Å; L276-N279 PolarHBondContact O-N 3.36Å; N279-F283 WeakPolarHBondContact O-CB 3.39Å; N279-F283 PolarHBondContact O-N 3.27Å
280I96.4Very high89.4Confident1 Ų153.1 Ų53.11%0.00526%0.264CS..Hα-helixtrans-66.6-46.3177.6-64.3162000110.4L249 L276 V277 R282 F283 Q284 I292 F330 A332 F412 L416L249-I280 HydrophobicContact CD1-CD1 3.52Å; L249-I280 HydrophobicContact CD2-CD1 3.88Å; L249-I280 HydrophobicContact CG-CD1 4.36Å; L276-I280 WeakPolarHBondContact O-CD1 3.44Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.47Å; L276-I280 PolarHBondContact O-N 2.88Å; V277-I280 PolarHBondContact O-N 3.27Å; I280-R282 VanDerWaalsContact C-N 3.34Å; I280-R282 PolarHBondContact O-N 2.93Å; I280-F283 PolarHBondContact O-N 3.07Å; I280-Q284 VanDerWaalsContact O-CB 3.32Å; I280-Q284 WeakPolarHBondContact O-CB 3.49Å; I280-Q284 PolarHBondContact O-N 2.8Å; I280-I292 HydrophobicContact CG2-CB 4.07Å; I280-I292 HydrophobicContact CG2-CD1 4.32Å; I280-I292 HydrophobicContact CG2-CG2 3.84Å; I280-F330 HydrophobicContact CB-CE1 4.35Å; I280-F330 HydrophobicContact CD1-CE1 4.13Å; I280-F330 HydrophobicContact CG2-CE1 3.81Å; I280-F330 HydrophobicContact CG2-CZ 4.47Å; I280-A332 HydrophobicContact CG2-CB 3.9Å; I280-F412 HydrophobicContact CB-CZ 4.33Å; I280-F412 HydrophobicContact CG1-CE2 4.4Å; I280-F412 HydrophobicContact CG1-CZ 3.93Å; I280-F412 HydrophobicContact CG2-CZ 4.37Å; I280-L416 HydrophobicContact CD1-CD1 4.16Å; I280-L416 HydrophobicContact CD1-CD2 4.27Å; I280-L416 HydrophobicContact CG1-CD1 4.32Å; I280-L416 HydrophobicContact CG1-CD2 4.33Å
281T93.9Very high90.7Very high27 Ų2748.6 Ų48.617%0.16624%0.24CC..Hα-helixtrans-64.6-38.3-179.9-54.80000112.1V277 A278 R285V277-T281 WeakPolarHBondContact O-CB 3.25Å; V277-T281 PolarHBondContact O-N 2.92Å; V277-T281 PolarHBondContact O-OG1 3.2Å; A278-T281 PolarHBondContact O-N 3.44Å; T281-R285 WeakPolarHBondContact O-CG 3.36Å; T281-R285 PolarHBondContact O-N 2.74Å
282R94.6Very high92Very high143 Ų14347.7 Ų47.754%0.5423%0.233SC..Hα-helixtrans-64.2-50.6173.7178.5-179.9174.1-174.2-3.7110.7A278 I280 Q284 R285 E286A278-R282 WeakPolarHBondContact O-CB 3.34Å; A278-R282 PolarHBondContact O-N 3.49Å; I280-R282 VanDerWaalsContact C-N 3.34Å; I280-R282 PolarHBondContact O-N 2.93Å; R282-Q284 VanDerWaalsContact C-N 3.35Å; R282-Q284 PolarHBondContact O-N 3.09Å; R282-R285 PolarHBondContact O-N 2.99Å; R282-E286 HydrophobicContact CG-CG 4.34Å; R282-E286 IonicContact CZ-OE1 3.45Å; R282-E286 VanDerWaalsContact CZ-OE1 3.31Å; R282-E286 IonicContact NE-OE1 3.47Å; R282-E286 PolarHBondContact NE-OE1 3.34Å; R282-E286 IonicContact NE-OE2 3.59Å; R282-E286 IonicContact NH2-OE1 2.68Å; R282-E286 PolarHBondContact NH2-OE1 3.49Å; R282-E286 WeakPolarHBondContact O-CG 3.1Å; R282-E286 PolarHBondContact O-N 3.19Å
283F97Very high93.1Very high21 Ų2146.9 Ų46.99%0.09223%0.229CC..Hα-helixtrans-61.2-43.8179.9178.7-96.8000111.7N279 I280 R285 E286 S287 I292 L396 Y398 I409 F412N279-F283 WeakPolarHBondContact O-CB 3.39Å; N279-F283 PolarHBondContact O-N 3.27Å; I280-F283 PolarHBondContact O-N 3.07Å; F283-R285 VanDerWaalsContact C-N 3.27Å; F283-R285 PolarHBondContact O-N 2.72Å; F283-E286 PolarHBondContact O-N 2.91Å; F283-E286 VanDerWaalsContact O-N 3.15Å; F283-S287 WeakPolarHBondContact O-CB 3.24Å; F283-S287 PolarHBondContact O-N 2.91Å; F283-S287 PolarHBondContact O-OG 2.87Å; F283-I292 HydrophobicContact CD1-CD1 3.56Å; F283-I292 HydrophobicContact CE1-CD1 4.04Å; F283-L396 HydrophobicContact CE1-CD2 3.92Å; F283-Y398 WeakPolarHBondContact CE1-OH 3.41Å; F283-I409 HydrophobicContact CZ-CG1 4.36Å; F283-F412 HydrophobicContact CB-CD2 3.62Å; F283-F412 HydrophobicContact CB-CE2 3.46Å; F283-F412 VanDerWaalsContact CB-CE2 3.46Å; F283-F412 HydrophobicContact CB-CG 4.34Å; F283-F412 HydrophobicContact CB-CZ 4.07Å; F283-F412 HydrophobicContact CD1-CB 4.23Å; F283-F412 AromaticContact CD1-CD1 3.46Å; F283-F412 HydrophobicContact CD1-CD1 3.46Å; F283-F412 VanDerWaalsContact CD1-CD1 3.46Å; F283-F412 AromaticContact CD1-CD2 3.65Å; F283-F412 HydrophobicContact CD1-CD2 3.65Å; F283-F412 AromaticContact CD1-CE1 3.55Å; F283-F412 HydrophobicContact CD1-CE1 3.55Å; F283-F412 AromaticContact CD1-CE2 3.74Å; F283-F412 HydrophobicContact CD1-CE2 3.74Å; F283-F412 AromaticContact CD1-CG 3.49Å; F283-F412 HydrophobicContact CD1-CG 3.49Å; F283-F412 VanDerWaalsContact CD1-CG 3.49Å; F283-F412 AromaticContact CD1-CZ 3.67Å; F283-F412 HydrophobicContact CD1-CZ 3.67Å; F283-F412 HydrophobicContact CD2-CB 3.73Å; F283-F412 HydrophobicContact CD2-CD1 4.46Å; F283-F412 AromaticContact CD2-CD2 3.63Å; F283-F412 HydrophobicContact CD2-CD2 3.63Å; F283-F412 HydrophobicContact CD2-CE2 4.34Å; F283-F412 AromaticContact CD2-CG 3.68Å; F283-F412 HydrophobicContact CD2-CG 3.68Å; F283-F412 HydrophobicContact CE1-CB 3.99Å; F283-F412 AromaticContact CE1-CD1 3.42Å; F283-F412 HydrophobicContact CE1-CD1 3.42Å; F283-F412 VanDerWaalsContact CE1-CD1 3.42Å; F283-F412 HydrophobicContact CE1-CD2 4.25Å; F283-F412 AromaticContact CE1-CE1 3.87Å; F283-F412 HydrophobicContact CE1-CE1 3.87Å; F283-F412 AromaticContact CE1-CG 3.61Å; F283-F412 HydrophobicContact CE1-CG 3.61Å; F283-F412 HydrophobicContact CE1-CZ 4.43Å; F283-F412 HydrophobicContact CE2-CB 3.44Å; F283-F412 VanDerWaalsContact CE2-CB 3.44Å; F283-F412 HydrophobicContact CE2-CD1 4.42Å; F283-F412 HydrophobicContact CE2-CD2 4.22Å; F283-F412 AromaticContact CE2-CG 3.79Å; F283-F412 HydrophobicContact CE2-CG 3.79Å; F283-F412 HydrophobicContact CG-CB 4.13Å; F283-F412 HydrophobicContact CG-CD1 4.02Å; F283-F412 AromaticContact CG-CD2 3.31Å; F283-F412 HydrophobicContact CG-CD2 3.31Å; F283-F412 HydrophobicContact CG-CE1 4.24Å; F283-F412 AromaticContact CG-CE2 3.57Å; F283-F412 HydrophobicContact CG-CE2 3.57Å; F283-F412 AromaticContact CG-CG 3.54Å; F283-F412 HydrophobicContact CG-CG 3.54Å; F283-F412 HydrophobicContact CG-CZ 4.01Å; F283-F412 HydrophobicContact CZ-CB 3.59Å; F283-F412 AromaticContact CZ-CD1 3.94Å; F283-F412 HydrophobicContact CZ-CD1 3.94Å; F283-F412 AromaticContact CZ-CG 3.77Å; F283-F412 HydrophobicContact CZ-CG 3.77Å
284Q96.5Very high94.4Very high22 Ų2243 Ų4310%0.10321%0.208CC..Hα-helixtrans-52.9-44.9175.9179.5-80.7-44.400111.9I280 R282 N288 A289 I292 A332I280-Q284 VanDerWaalsContact O-CB 3.32Å; I280-Q284 WeakPolarHBondContact O-CB 3.49Å; I280-Q284 PolarHBondContact O-N 2.8Å; R282-Q284 VanDerWaalsContact C-N 3.35Å; R282-Q284 PolarHBondContact O-N 3.09Å; Q284-N288 PolarHBondContact O-N 3.35Å; Q284-A289 HydrophobicContact CG-CB 4.27Å; Q284-A289 PolarHBondContact NE2-O 3.42Å; Q284-A289 PolarHBondContact O-N 2.89Å; Q284-A289 VanDerWaalsContact O-N 3.1Å; Q284-I292 HydrophobicContact CB-CD1 3.78Å; Q284-I292 HydrophobicContact CB-CG1 4.14Å; Q284-I292 HydrophobicContact CG-CD1 4.43Å; Q284-I292 HydrophobicContact CG-CG1 4.26Å; Q284-A332 HydrophobicContact CB-CB 4.24Å; Q284-A332 HydrophobicContact CG-CB 4.21Å
285R95.1Very high94.9Very high169 Ų16941.2 Ų41.264%0.63820%0.199SC*.Hα-helixtrans-69.4-43.6176.3-69.6-175.1-66.2168.1-1112.9T281 R282 F283 N288T281-R285 WeakPolarHBondContact O-CG 3.36Å; T281-R285 PolarHBondContact O-N 2.74Å; R282-R285 PolarHBondContact O-N 2.99Å; F283-R285 VanDerWaalsContact C-N 3.27Å; F283-R285 PolarHBondContact O-N 2.72Å; R285-N288 PolarHBondContact O-OD1 3.49Å
286E95.6Very high95.2Very high119 Ų11940.3 Ų40.356%0.55619%0.194SC*.Hα-helixtrans-69.4-35.1-178.3-73.1176.5168.200112.5R282 F283R282-E286 HydrophobicContact CG-CG 4.34Å; R282-E286 IonicContact CZ-OE1 3.45Å; R282-E286 VanDerWaalsContact CZ-OE1 3.31Å; R282-E286 IonicContact NE-OE1 3.47Å; R282-E286 PolarHBondContact NE-OE1 3.34Å; R282-E286 IonicContact NE-OE2 3.59Å; R282-E286 IonicContact NH2-OE1 2.68Å; R282-E286 PolarHBondContact NH2-OE1 3.49Å; R282-E286 WeakPolarHBondContact O-CG 3.1Å; R282-E286 PolarHBondContact O-N 3.19Å; F283-E286 PolarHBondContact O-N 2.91Å; F283-E286 VanDerWaalsContact O-N 3.15Å
287S95.2Very high95.1Very high22 Ų2240.1 Ų40.115%0.15419%0.194CC..Hα-helixtrans-88.4-9.8-179.373.90000113.8F283 A289 Y398F283-S287 WeakPolarHBondContact O-CB 3.24Å; F283-S287 PolarHBondContact O-N 2.91Å; F283-S287 PolarHBondContact O-OG 2.87Å; S287-A289 VanDerWaalsContact C-N 3.27Å; S287-A289 PolarHBondContact O-N 2.88Å; S287-A289 PolarHBondContact OG-N 3.21Å; S287-Y398 WeakPolarHBondContact CB-OH 3.34Å; S287-Y398 WeakPolarHBondContact O-CE1 3.46Å; S287-Y398 PolarHBondContact OG-OH 2.96Å
288N94.9Very high94.9Very high126 Ų12640 Ų4067%0.67419%0.193SC*.THydrogen-bonded Turntrans54.541.2-168.8-58.8-50.8000112.3Q284 R285 L290Q284-N288 PolarHBondContact O-N 3.35Å; R285-N288 PolarHBondContact O-OD1 3.49Å; N288-L290 PolarHBondContact O-N 3.36Å
289A96.4Very high94.5Very high2 Ų242.2 Ų42.22%0.01720%0.203CC..  trans-66.6132.1170.100000109.3Q284 S287 N291 I292 V397 Y398Q284-A289 HydrophobicContact CG-CB 4.27Å; Q284-A289 PolarHBondContact NE2-O 3.42Å; Q284-A289 PolarHBondContact O-N 2.89Å; Q284-A289 VanDerWaalsContact O-N 3.1Å; S287-A289 VanDerWaalsContact C-N 3.27Å; S287-A289 PolarHBondContact O-N 2.88Å; S287-A289 PolarHBondContact OG-N 3.21Å; A289-N291 VanDerWaalsContact C-N 3.27Å; A289-I292 HydrophobicContact CB-CD1 4.15Å; A289-I292 HydrophobicContact CB-CG1 3.84Å; A289-V397 CarbonylContact C-O 3.52Å; A289-Y398 HydrophobicContact CB-CD1 4.06Å; A289-Y398 HydrophobicContact CB-CE1 3.53Å; A289-Y398 HydrophobicContact CB-CE2 4.37Å
290L95.9Very high93.6Very high69 Ų6942.3 Ų42.336%0.36121%0.208SC..SBendtrans-61.1-44172.2-71.5179.5000110N288 P333 V397 E399N288-L290 PolarHBondContact O-N 3.36Å; L290-P333 WeakPolarHBondContact O-CD 3.43Å; L290-V397 HydrophobicContact CB-CG1 4.46Å; L290-V397 WeakPolarHBondContact CB-O 3.38Å; L290-V397 HydrophobicContact CD1-CG1 4.37Å; L290-V397 PolarHBondContact N-O 2.96Å; L290-E399 HydrophobicContact CD1-CB 3.79Å; L290-E399 HydrophobicContact CD1-CG 4.49Å; L290-E399 HydrophobicContact CD2-CB 4.11Å; L290-E399 HydrophobicContact CG-CB 3.99Å
291N96.7Very high92.8Very high8 Ų843.3 Ų43.34%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-152.8144.9177.2-176-79.3000111.5A289 S293 A332 L338 V397A289-N291 VanDerWaalsContact C-N 3.27Å; N291-S293 WeakPolarHBondContact OD1-CB 3.39Å; N291-S293 PolarHBondContact OD1-N 3.28Å; N291-S293 PolarHBondContact OD1-OG 3.03Å; N291-A332 CarbonylContact C-O 3.51Å; N291-A332 VanDerWaalsContact CA-O 3.28Å; N291-A332 WeakPolarHBondContact CA-O 3.42Å; N291-L338 HydrophobicContact CB-CD2 3.62Å; N291-L338 HydrophobicContact CB-CG 4.46Å; N291-L338 WeakPolarHBondContact OD1-CD2 3.37Å; N291-L338 WeakPolarHBondContact OD1-CG 3.46Å; N291-V397 HydrophobicContact CB-CB 4.38Å; N291-V397 PolarHBondContact N-O 3.22Å; N291-V397 PolarHBondContact O-N 2.92Å
292I97.4Very high92.1Very high2 Ų247.3 Ų47.31%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-123.4119.5164.3-51.8-172.8000107.6I280 F283 Q284 A289 N331 A332 L394 A395 L396 F412I280-I292 HydrophobicContact CG2-CB 4.07Å; I280-I292 HydrophobicContact CG2-CD1 4.32Å; I280-I292 HydrophobicContact CG2-CG2 3.84Å; F283-I292 HydrophobicContact CD1-CD1 3.56Å; F283-I292 HydrophobicContact CE1-CD1 4.04Å; Q284-I292 HydrophobicContact CB-CD1 3.78Å; Q284-I292 HydrophobicContact CB-CG1 4.14Å; Q284-I292 HydrophobicContact CG-CD1 4.43Å; Q284-I292 HydrophobicContact CG-CG1 4.26Å; A289-I292 HydrophobicContact CB-CD1 4.15Å; A289-I292 HydrophobicContact CB-CG1 3.84Å; I292-N331 CarbonylContact O-C 3.54Å; I292-A332 HydrophobicContact CB-CB 4.38Å; I292-A332 PolarHBondContact N-O 2.92Å; I292-A332 PolarHBondContact O-N 3.35Å; I292-L394 HydrophobicContact CG2-CD1 3.84Å; I292-A395 CarbonylContact C-O 3.56Å; I292-A395 WeakPolarHBondContact CA-O 3.37Å; I292-L396 HydrophobicContact CD1-CD2 4.48Å; I292-L396 HydrophobicContact CD1-CG 4.26Å; I292-L396 HydrophobicContact CG1-CG 4.09Å; I292-L396 HydrophobicContact CG2-CD1 4.11Å; I292-L396 HydrophobicContact CG2-CG 4.13Å; I292-F412 HydrophobicContact CD1-CE1 4.14Å; I292-F412 HydrophobicContact CD1-CZ 4.3Å
293S97Very high91.6Very high0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-124.4145.6-176.8-75.40000112.7N291 F330 N331 L338 A395N291-S293 WeakPolarHBondContact OD1-CB 3.39Å; N291-S293 PolarHBondContact OD1-N 3.28Å; N291-S293 PolarHBondContact OD1-OG 3.03Å; S293-F330 VanDerWaalsContact CA-O 3.23Å; S293-F330 WeakPolarHBondContact CA-O 3.35Å; S293-N331 PolarHBondContact OG-OD1 3.44Å; S293-L338 WeakPolarHBondContact OG-CD1 3.35Å; S293-L338 WeakPolarHBondContact OG-CG 3.08Å; S293-A395 PolarHBondContact N-O 3.38Å; S293-A395 PolarHBondContact O-N 3.49Å
294L96.7Very high91Very high1 Ų146.4 Ų46.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-100.8130.1159.6-62.6-179.5000108.6L249 Y250 P328 I329 F330 L388 V392 F393 L394L249-L294 HydrophobicContact CD1-CD1 4.29Å; L249-L294 HydrophobicContact CD2-CD1 3.65Å; L249-L294 HydrophobicContact CG-CD1 3.77Å; Y250-L294 HydrophobicContact CD1-CD1 3.97Å; Y250-L294 HydrophobicContact CE1-CD1 3.82Å; L294-P328 CarbonylContact O-C 3.57Å; L294-P328 WeakPolarHBondContact O-CA 3.34Å; L294-I329 HydrophobicContact CB-CD1 4.23Å; L294-I329 HydrophobicContact CB-CG1 3.77Å; L294-I329 WeakPolarHBondContact O-CG1 3.37Å; L294-I329 PolarHBondContact O-N 3.3Å; L294-F330 HydrophobicContact CB-CB 4.1Å; L294-F330 HydrophobicContact CD1-CB 4.24Å; L294-F330 HydrophobicContact CG-CB 4.28Å; L294-F330 PolarHBondContact N-O 3.03Å; L294-F330 PolarHBondContact O-N 2.99Å; L294-L388 HydrophobicContact CD2-CD1 3.65Å; L294-V392 HydrophobicContact CD2-CG1 4.47Å; L294-F393 CarbonylContact C-O 3.07Å; L294-F393 VanDerWaalsContact CA-O 3.29Å; L294-F393 WeakPolarHBondContact CA-O 3.17Å; L294-L394 HydrophobicContact CD2-CB 4.24Å; L294-L394 HydrophobicContact CD2-CD1 3.88Å
295L94.6Very high90.5Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-115.3145175.8-52.592.6000110I326 P327 I346 V392 F393 A395L295-I326 HydrophobicContact CB-CG2 3.75Å; L295-I326 HydrophobicContact CD2-CG2 4.15Å; L295-P327 WeakPolarHBondContact CA-O 3.46Å; L295-I346 HydrophobicContact CD1-CG2 3.94Å; L295-I346 HydrophobicContact CD2-CG2 3.91Å; L295-V392 WeakPolarHBondContact O-CA 3.46Å; L295-F393 PolarHBondContact N-O 2.82Å; L295-F393 PolarHBondContact O-N 3Å; L295-A395 HydrophobicContact CD1-CB 3.66Å
296F93.5Very high90.1Very high0 Ų041.5 Ų41.50%023%0.234CC..EExtended strand (participates in β ladder)trans-116.7127.3-179.7179.5-101.1000111L195 T298 Q301 F305 I326 P327 I329 R391 V392L195-F296 HydrophobicContact CB-CE2 4.32Å; L195-F296 HydrophobicContact CB-CZ 4.19Å; L195-F296 HydrophobicContact CD1-CB 3.73Å; L195-F296 HydrophobicContact CD1-CD1 3.47Å; L195-F296 VanDerWaalsContact CD1-CD1 3.47Å; L195-F296 HydrophobicContact CD1-CD2 3.46Å; L195-F296 VanDerWaalsContact CD1-CD2 3.46Å; L195-F296 HydrophobicContact CD1-CE1 3.81Å; L195-F296 HydrophobicContact CD1-CE2 3.8Å; L195-F296 HydrophobicContact CD1-CG 3.25Å; L195-F296 HydrophobicContact CD1-CZ 3.95Å; L195-F296 HydrophobicContact CG-CD1 4.3Å; L195-F296 HydrophobicContact CG-CD2 3.64Å; L195-F296 HydrophobicContact CG-CE1 4.25Å; L195-F296 HydrophobicContact CG-CE2 3.58Å; L195-F296 HydrophobicContact CG-CG 3.99Å; L195-F296 HydrophobicContact CG-CZ 3.89Å; F296-T298 HydrophobicContact CD1-CG2 3.78Å; F296-T298 HydrophobicContact CE1-CG2 4.06Å; F296-Q301 HydrophobicContact CE1-CG 4.24Å; F296-Q301 HydrophobicContact CZ-CG 4.22Å; F296-F305 HydrophobicContact CD1-CD2 4.46Å; F296-F305 HydrophobicContact CD1-CE2 4.3Å; F296-F305 HydrophobicContact CE1-CD2 4.16Å; F296-F305 HydrophobicContact CE1-CE2 4.33Å; F296-I326 CarbonylContact O-C 3.53Å; F296-I326 VanDerWaalsContact O-CA 3.26Å; F296-I326 WeakPolarHBondContact O-CA 3.25Å; F296-P327 PolarHBondContact N-O 3.07Å; F296-P327 WeakPolarHBondContact O-CD 3.29Å; F296-I329 HydrophobicContact CB-CD1 4.3Å; F296-I329 HydrophobicContact CB-CG2 3.63Å; F296-R391 CarbonylContact C-O 3.55Å; F296-R391 VanDerWaalsContact CA-O 3.27Å; F296-R391 WeakPolarHBondContact CA-O 3.42Å; F296-R391 HydrophobicContact CD2-CB 3.78Å; F296-R391 HydrophobicContact CE2-CB 3.5Å; F296-R391 VanDerWaalsContact CE2-CD 3.42Å; F296-R391 HydrophobicContact CE2-CG 4.16Å; F296-R391 HydrophobicContact CZ-CB 4.17Å; F296-R391 VanDerWaalsContact CZ-CD 3.41Å; F296-R391 HydrophobicContact CZ-CG 4.44Å; F296-V392 HydrophobicContact CD2-CG2 4.02Å
297D90.9Very high89.6Confident0 Ų037.3 Ų37.30%022%0.223CC..  trans-85.5111.9173.3170.633.2000111.8T299 C300 I326 H355 R391 F393D297-T299 VanDerWaalsContact CG-OG1 3.27Å; D297-T299 VanDerWaalsContact OD1-CB 3.28Å; D297-T299 WeakPolarHBondContact OD1-CB 3.47Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.26Å; D297-T299 PolarHBondContact OD1-N 2.94Å; D297-T299 PolarHBondContact OD1-OG1 3.15Å; D297-T299 PolarHBondContact OD2-OG1 2.85Å; D297-C300 PolarHBondContact OD2-SG 3.37Å; D297-I326 HydrophobicContact CB-CG1 4.39Å; D297-H355 IonicContact OD2-CE1 2.79Å; D297-H355 PolarHBondContact OD2-CE1 2.86Å; D297-H355 IonicContact OD2-ND1 2.97Å; D297-H355 IonicContact OD2-NE2 3.56Å; D297-R391 PolarHBondContact N-O 3.4Å; D297-R391 PolarHBondContact O-NH1 3.02Å; D297-F393 HydrophobicContact CB-CE2 3.79Å
298T89.9Confident89.1Confident4 Ų438.6 Ų38.63%0.02523%0.226CC..  trans-81.2-16.9179.469.30000112.5F296 C300 Q301 F305 P320 S325 P327F296-T298 HydrophobicContact CD1-CG2 3.78Å; F296-T298 HydrophobicContact CE1-CG2 4.06Å; T298-C300 PolarHBondContact O-N 3.31Å; T298-Q301 WeakPolarHBondContact O-CB 3.41Å; T298-Q301 PolarHBondContact O-N 3.42Å; T298-F305 HydrophobicContact CG2-CB 3.59Å; T298-F305 HydrophobicContact CG2-CD1 3.54Å; T298-F305 HydrophobicContact CG2-CD2 3.74Å; T298-F305 HydrophobicContact CG2-CE1 4.06Å; T298-F305 HydrophobicContact CG2-CE2 4.25Å; T298-F305 HydrophobicContact CG2-CG 3.33Å; T298-F305 HydrophobicContact CG2-CZ 4.39Å; T298-P320 HydrophobicContact CG2-CG 4.2Å; T298-S325 PolarHBondContact N-O 3.32Å; T298-S325 WeakPolarHBondContact OG1-CA 3.26Å; T298-S325 PolarHBondContact OG1-O 3.33Å; T298-P327 HydrophobicContact CG2-CG 4.06Å
299T83.6Confident88.7Confident84 Ų8433 Ų3352%0.51520%0.198SC..THydrogen-bonded Turntrans-68.1-33.3-168.765.70000113D297 Q301 S325D297-T299 VanDerWaalsContact CG-OG1 3.27Å; D297-T299 VanDerWaalsContact OD1-CB 3.28Å; D297-T299 WeakPolarHBondContact OD1-CB 3.47Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.26Å; D297-T299 PolarHBondContact OD1-N 2.94Å; D297-T299 PolarHBondContact OD1-OG1 3.15Å; D297-T299 PolarHBondContact OD2-OG1 2.85Å; T299-Q301 PolarHBondContact O-N 3.07Å; T299-S325 VanDerWaalsContact CG2-CB 3.5Å; T299-S325 WeakPolarHBondContact CG2-OG 3.37Å
300C74.4Confident88.2Confident68 Ų6839.1 Ų39.146%0.45922%0.222SC..THydrogen-bonded Turntrans-79.9-1.7-179.3-58.80000113.2D297 T298 R391D297-C300 PolarHBondContact OD2-SG 3.37Å; T298-C300 PolarHBondContact O-N 3.31Å; C300-R391 VanDerWaalsContact C-CZ 3.42Å; C300-R391 VanDerWaalsContact CA-NH1 3.28Å; C300-R391 PolarHBondContact O-NH1 3.27Å; C300-R391 PolarHBondContact O-NH2 3.24Å
301Q79.8Confident87.5Confident22 Ų2238.6 Ų38.610%0.10322%0.221CC..  trans-69.5142.8-169-71.3-160.8-67.900110.4D194 F296 T298 T299 F303 R391D194-Q301 PolarHBondContact O-NE2 3.22Å; D194-Q301 PolarHBondContact OD1-NE2 3.03Å; F296-Q301 HydrophobicContact CE1-CG 4.24Å; F296-Q301 HydrophobicContact CZ-CG 4.22Å; T298-Q301 WeakPolarHBondContact O-CB 3.41Å; T298-Q301 PolarHBondContact O-N 3.42Å; T299-Q301 PolarHBondContact O-N 3.07Å; Q301-F303 WeakPolarHBondContact CB-O 3.12Å; Q301-F303 PolarHBondContact O-N 3.31Å; Q301-R391 VanDerWaalsContact CA-NH2 3.33Å
302S79.4Confident86.8Confident111 Ų11143.4 Ų43.478%0.77625%0.247SC*.SBendtrans-75.2-7.6175.8570000112.6
303F83.1Confident85.8Confident79 Ų7952.1 Ų52.135%0.34628%0.279SS..SBendtrans-135.8154.4177.151.3-92000110.1D194 M196 Q301 F305D194-F303 WeakPolarHBondContact OD2-CE1 3.13Å; D194-F303 WeakPolarHBondContact OD2-CZ 3.23Å; M196-F303 HydrophobicContact CG-CZ 3.96Å; M196-F303 HydrophobicContact SD-CE1 4.44Å; M196-F303 HydrophobicContact SD-CZ 4.4Å; Q301-F303 WeakPolarHBondContact CB-O 3.12Å; Q301-F303 PolarHBondContact O-N 3.31Å; F303-F305 PolarHBondContact O-N 2.66Å
304P84.5Confident85Confident67 Ų6755.6 Ų55.644%0.43532%0.315SS..  trans-61131.9177.6-22.833.6000112.2L306 G317 A319P304-L306 HydrophobicContact CB-CD2 3.95Å; P304-L306 HydrophobicContact CB-CG 4.46Å; P304-L306 PolarHBondContact O-N 3.06Å; P304-G317 WeakPolarHBondContact CB-O 3.28Å; P304-A319 HydrophobicContact CB-CB 4.29Å
305F86.9Confident84.4Confident26 Ų2658.3 Ų58.311%0.11433%0.334CS..  trans-73.6110.4169.8-177.5-98.3000109.6L195 F296 T298 F303 G307 H308 P320 P327L195-F305 HydrophobicContact CD1-CE2 4.21Å; F296-F305 HydrophobicContact CD1-CD2 4.46Å; F296-F305 HydrophobicContact CD1-CE2 4.3Å; F296-F305 HydrophobicContact CE1-CD2 4.16Å; F296-F305 HydrophobicContact CE1-CE2 4.33Å; T298-F305 HydrophobicContact CG2-CB 3.59Å; T298-F305 HydrophobicContact CG2-CD1 3.54Å; T298-F305 HydrophobicContact CG2-CD2 3.74Å; T298-F305 HydrophobicContact CG2-CE1 4.06Å; T298-F305 HydrophobicContact CG2-CE2 4.25Å; T298-F305 HydrophobicContact CG2-CG 3.33Å; T298-F305 HydrophobicContact CG2-CZ 4.39Å; F303-F305 PolarHBondContact O-N 2.66Å; F305-G307 VanDerWaalsContact CZ-C 3.41Å; F305-H308 HydrophobicContact CZ-CB 4.24Å; F305-P320 HydrophobicContact CB-CG 4.48Å; F305-P320 HydrophobicContact CD1-CG 3.98Å; F305-P320 VanDerWaalsContact O-CD 3.31Å; F305-P320 WeakPolarHBondContact O-CD 3.09Å; F305-P327 HydrophobicContact CE1-CG 4.08Å; F305-P327 HydrophobicContact CZ-CG 4.22Å
306L86Confident83.9Confident61 Ų6165.2 Ų65.232%0.31938%0.376SS..  trans-102.19.2-177.1-57.2-175.1000113.7P304 V311 S315P304-L306 HydrophobicContact CB-CD2 3.95Å; P304-L306 HydrophobicContact CB-CG 4.46Å; P304-L306 PolarHBondContact O-N 3.06Å; L306-V311 HydrophobicContact CB-CG1 3.94Å; L306-V311 HydrophobicContact CB-CG2 4.22Å; L306-V311 HydrophobicContact CD1-CG1 3.94Å; L306-V311 HydrophobicContact CG-CG1 4.44Å; L306-S315 WeakPolarHBondContact CD1-O 3.28Å
307G85Confident83.6Confident32 Ų3266.6 Ų66.633%0.3339%0.39SS..  trans134.6165.9179.100000113F305F305-G307 VanDerWaalsContact CZ-C 3.41Å
308H85.7Confident83.3Confident48 Ų4873.8 Ų73.822%0.22243%0.429CS..SBendtrans-88119.8178.6-170.250.4000110.3Y250 W251 I254 F305Y250-H308 PolarHBondContact O-CE1 3.44Å; Y250-H308 PolarHBondContact O-NE2 3.45Å; W251-H308 AromaticContact CD1-CE1 3.45Å; W251-H308 VanDerWaalsContact CD1-CE1 3.45Å; W251-H308 AromaticContact CD1-NE2 3.83Å; W251-H308 AromaticContact NE1-CE1 3.77Å; I254-H308 WeakPolarHBondContact CD1-O 3.09Å; I254-H308 VanDerWaalsContact CG1-CD2 3.41Å; I254-H308 WeakPolarHBondContact CG1-CD2 3.33Å; F305-H308 HydrophobicContact CZ-CB 4.24Å
309G85.8Confident83Confident8 Ų875.6 Ų75.68%0.08244%0.444CS..SBendtrans121.5-146.9179.600000113.3F197F197-G309 VanDerWaalsContact CB-O 3.26Å; F197-G309 WeakPolarHBondContact CB-O 3.37Å
310Y84.7Confident83.2Confident132 Ų13273 Ų7352%0.51843%0.429SS..  trans-77.5125178.2-178.6-109.7000111.5F197 L198F197-Y310 HydrophobicContact CD1-CD2 4.46Å; L198-Y310 HydrophobicContact CB-CD2 3.99Å; L198-Y310 HydrophobicContact CB-CE2 4.09Å; L198-Y310 HydrophobicContact CD2-CD2 4.29Å; L198-Y310 HydrophobicContact CD2-CE2 3.6Å; L198-Y310 HydrophobicContact CG-CE2 4.41Å
311V82.9Confident83.6Confident57 Ų5778 Ų7835%0.34544%0.443SS..  trans-120.5129.2171.51790000107.9L306 R313L306-V311 HydrophobicContact CB-CG1 3.94Å; L306-V311 HydrophobicContact CB-CG2 4.22Å; L306-V311 HydrophobicContact CD1-CG1 3.94Å; L306-V311 HydrophobicContact CG-CG1 4.44Å; V311-R313 PolarHBondContact O-N 3.24Å
312L81Confident83.8Confident109 Ų10979.5 Ų79.557%0.57146%0.464SS*.  trans-63.5134.8179-178.565.2000110G314 S315L312-G314 PolarHBondContact O-N 2.95Å; L312-S315 VanDerWaalsContact O-CB 3.26Å; L312-S315 WeakPolarHBondContact O-CB 3.24Å; L312-S315 PolarHBondContact O-N 3.03Å; L312-S315 PolarHBondContact O-OG 3.32Å
313R76Confident83.9Confident186 Ų18677.9 Ų77.970%0.70245%0.446SS*.THydrogen-bonded Turntrans-61.5130.2177-71.5-173.4177.8-175.1-0.7110.5E199 V311E199-R313 IonicContact OE1-CZ 2.82Å; E199-R313 VanDerWaalsContact OE1-CZ 3.29Å; E199-R313 IonicContact OE1-NE 2.72Å; E199-R313 PolarHBondContact OE1-NE 2.86Å; E199-R313 IonicContact OE1-NH2 3.29Å; E199-R313 PolarHBondContact OE1-NH2 3Å; V311-R313 PolarHBondContact O-N 3.24Å
314G80Confident84.1Confident72 Ų7281 Ų8174%0.74246%0.462SS*.THydrogen-bonded Turntrans880.2-176.900000114.2L312 V316L312-G314 PolarHBondContact O-N 2.95Å; G314-V316 PolarHBondContact O-N 3.15Å
315S85Confident84.2Confident59 Ų5978.1 Ų78.141%0.41344%0.444SS..  trans-55.6135.3165.7-720000110.2L306 L312L306-S315 WeakPolarHBondContact CD1-O 3.28Å; L312-S315 VanDerWaalsContact O-CB 3.26Å; L312-S315 WeakPolarHBondContact O-CB 3.24Å; L312-S315 PolarHBondContact O-N 3.03Å; L312-S315 PolarHBondContact O-OG 3.32Å
316V84Confident84.5Confident144 Ų14477 Ų7787%0.87344%0.438SS*.  trans-112.1137.2178.5-1760000107.9G314G314-V316 PolarHBondContact O-N 3.15Å
317G86.5Confident84.7Confident30 Ų3075.4 Ų75.431%0.30943%0.432SS..  trans-176.2170.1174.900000110.7P304P304-G317 WeakPolarHBondContact CB-O 3.28Å
318D84.7Confident85.1Confident150 Ų15076 Ų7680%0.80243%0.43SS*.PPolyproline II helixtrans-86.1137.9179.6-68-42.2000110.7
319A84.9Confident85.5Confident42 Ų4273.8 Ų73.835%0.34742%0.42SS..PPolyproline II helixtrans-67143171.700000110.3P304P304-A319 HydrophobicContact CB-CB 4.29Å
320P86.8Confident86Confident31 Ų3173.5 Ų73.520%0.20142%0.416CS..PPolyproline II helixtrans-63.1147.8177.528.2-35.5000111T298 F305 E324 S325T298-P320 HydrophobicContact CG2-CG 4.2Å; F305-P320 HydrophobicContact CB-CG 4.48Å; F305-P320 HydrophobicContact CD1-CG 3.98Å; F305-P320 VanDerWaalsContact O-CD 3.31Å; F305-P320 WeakPolarHBondContact O-CD 3.09Å; P320-E324 HydrophobicContact CB-CB 3.88Å; P320-E324 WeakPolarHBondContact CB-O 3.37Å; P320-S325 WeakPolarHBondContact O-CB 3.49Å
321K83.3Confident86.4Confident171 Ų17167.6 Ų67.674%0.74339%0.394SS*.  trans-122.7158.2-174.4-64.8-179.8-176.9171.90111.1I323 E324K321-I323 PolarHBondContact O-N 2.96Å; K321-E324 PolarHBondContact O-N 2.8Å
322G83Confident87Confident54 Ų5464.9 Ų64.956%0.55738%0.377SS*.G310 helixtrans67.6-130.8176.400000111.8E324 S325G322-E324 VanDerWaalsContact C-N 3.25Å; G322-E324 PolarHBondContact O-N 2.91Å; G322-S325 PolarHBondContact O-N 3.29Å; G322-S325 PolarHBondContact O-OG 3.49Å
323I83.3Confident87.6Confident77 Ų7761.9 Ų61.940%0.39537%0.365SS..G310 helixtrans-68.6-29.9-178.4-58.6154.2000111.1K321 S325 I326 I343 Y344 V347K321-I323 PolarHBondContact O-N 2.96Å; I323-S325 PolarHBondContact O-N 3.31Å; I323-I326 PolarHBondContact O-N 3.42Å; I323-I343 HydrophobicContact CG2-CG2 3.64Å; I323-Y344 HydrophobicContact CD1-CD2 3.55Å; I323-Y344 HydrophobicContact CD1-CE2 4.12Å; I323-Y344 HydrophobicContact CG1-CD2 4.09Å; I323-V347 HydrophobicContact CG2-CB 4.48Å; I323-V347 HydrophobicContact CG2-CG2 4.23Å
324E85.4Confident88.3Confident144 Ų14456.4 Ų56.467%0.67335%0.349SS*.G310 helixtrans-70.7-12-179.9-60.5-178.1171.300113.1P320 K321 G322 I326 P327P320-E324 HydrophobicContact CB-CB 3.88Å; P320-E324 WeakPolarHBondContact CB-O 3.37Å; K321-E324 PolarHBondContact O-N 2.8Å; G322-E324 VanDerWaalsContact C-N 3.25Å; G322-E324 PolarHBondContact O-N 2.91Å; E324-I326 PolarHBondContact O-N 2.73Å; E324-P327 WeakPolarHBondContact O-CD 3.44Å
325S88.4Confident88.5Confident8 Ų856.9 Ų56.96%0.05635%0.353CS..G310 helixtrans-75.9-5.617675.90000113.5T298 T299 P320 G322 I323 P327T298-S325 PolarHBondContact N-O 3.32Å; T298-S325 WeakPolarHBondContact OG1-CA 3.26Å; T298-S325 PolarHBondContact OG1-O 3.33Å; T299-S325 VanDerWaalsContact CG2-CB 3.5Å; T299-S325 WeakPolarHBondContact CG2-OG 3.37Å; P320-S325 WeakPolarHBondContact O-CB 3.49Å; G322-S325 PolarHBondContact O-N 3.29Å; G322-S325 PolarHBondContact O-OG 3.49Å; I323-S325 PolarHBondContact O-N 3.31Å; S325-P327 VanDerWaalsContact C-CD 3.42Å
326I91.3Very high88.7Confident1 Ų156 Ų561%0.00535%0.347CS..SBendtrans-127.164.8176.1-50.8-172.6000109.7L295 F296 D297 I323 E324 V347 I350L295-I326 HydrophobicContact CB-CG2 3.75Å; L295-I326 HydrophobicContact CD2-CG2 4.15Å; F296-I326 CarbonylContact O-C 3.53Å; F296-I326 VanDerWaalsContact O-CA 3.26Å; F296-I326 WeakPolarHBondContact O-CA 3.25Å; D297-I326 HydrophobicContact CB-CG1 4.39Å; I323-I326 PolarHBondContact O-N 3.42Å; E324-I326 PolarHBondContact O-N 2.73Å; I326-V347 HydrophobicContact CB-CG2 3.91Å; I326-V347 HydrophobicContact CD1-CG1 4.1Å; I326-V347 HydrophobicContact CG2-CG2 4.22Å; I326-I350 HydrophobicContact CD1-CB 4.36Å; I326-I350 HydrophobicContact CD1-CG2 3.74Å; I326-I350 HydrophobicContact CG2-CD1 4.16Å
327P92Very high88.9Confident28 Ų2854 Ų5418%0.18234%0.339CS..  trans-67.1147-178.628.2-37.8000112.4L295 F296 T298 F305 E324 S325L295-P327 WeakPolarHBondContact CA-O 3.46Å; F296-P327 PolarHBondContact N-O 3.07Å; F296-P327 WeakPolarHBondContact O-CD 3.29Å; T298-P327 HydrophobicContact CG2-CG 4.06Å; F305-P327 HydrophobicContact CE1-CG 4.08Å; F305-P327 HydrophobicContact CZ-CG 4.22Å; E324-P327 WeakPolarHBondContact O-CD 3.44Å; S325-P327 VanDerWaalsContact C-CD 3.42Å
328P93.6Very high89Confident46 Ų4652.9 Ų52.930%0.29933%0.327SS..EExtended strand (participates in β ladder)trans-68.6131.8163.829.8-32.4000109.9L294L294-P328 CarbonylContact O-C 3.57Å; L294-P328 WeakPolarHBondContact O-CA 3.34Å
329I94Very high89.3Confident1 Ų147.9 Ų47.91%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-107.5-13.1177.960.6167.4000112.8L195 Y250 L294 F296L195-I329 HydrophobicContact CD1-CD1 4.48Å; L195-I329 HydrophobicContact CD1-CG2 3.81Å; L195-I329 HydrophobicContact CD2-CD1 4.17Å; Y250-I329 HydrophobicContact CD1-CD1 4.17Å; Y250-I329 HydrophobicContact CD2-CD1 4.41Å; Y250-I329 HydrophobicContact CG-CD1 4.1Å; L294-I329 HydrophobicContact CB-CD1 4.23Å; L294-I329 HydrophobicContact CB-CG1 3.77Å; L294-I329 WeakPolarHBondContact O-CG1 3.37Å; L294-I329 PolarHBondContact O-N 3.3Å; F296-I329 HydrophobicContact CB-CD1 4.3Å; F296-I329 HydrophobicContact CB-CG2 3.63Å
330F94.9Very high89.6Confident1 Ų151.2 Ų51.20%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-154.1139.5174.9175.9-89.4000109.3L249 F252 V277 I280 S293 L294 A332 L334L249-F330 HydrophobicContact CD1-CD1 4.06Å; L249-F330 HydrophobicContact CD1-CD2 3.67Å; L249-F330 HydrophobicContact CD1-CE1 4.14Å; L249-F330 HydrophobicContact CD1-CE2 3.75Å; L249-F330 HydrophobicContact CD1-CG 3.83Å; L249-F330 HydrophobicContact CD1-CZ 3.99Å; F252-F330 HydrophobicContact CB-CD2 3.99Å; F252-F330 HydrophobicContact CB-CE2 4.1Å; F252-F330 HydrophobicContact CD1-CE2 4.02Å; F252-F330 HydrophobicContact CG-CE2 4.24Å; V277-F330 HydrophobicContact CG1-CE2 4.11Å; V277-F330 HydrophobicContact CG1-CZ 4.28Å; V277-F330 HydrophobicContact CG2-CE2 4.18Å; I280-F330 HydrophobicContact CB-CE1 4.35Å; I280-F330 HydrophobicContact CD1-CE1 4.13Å; I280-F330 HydrophobicContact CG2-CE1 3.81Å; I280-F330 HydrophobicContact CG2-CZ 4.47Å; S293-F330 VanDerWaalsContact CA-O 3.23Å; S293-F330 WeakPolarHBondContact CA-O 3.35Å; L294-F330 HydrophobicContact CB-CB 4.1Å; L294-F330 HydrophobicContact CD1-CB 4.24Å; L294-F330 HydrophobicContact CG-CB 4.28Å; L294-F330 PolarHBondContact N-O 3.03Å; L294-F330 PolarHBondContact O-N 2.99Å; F330-A332 HydrophobicContact CE1-CB 4Å; F330-A332 HydrophobicContact CZ-CB 4.41Å; F330-L334 HydrophobicContact CE2-CD2 3.84Å; F330-L334 HydrophobicContact CZ-CD2 3.79Å
331N94.7Very high89.8Confident8 Ų853.3 Ų53.34%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-131.3139.1175.4-60.2-92.4000111.3E253 I292 S293 S336E253-N331 PolarHBondContact OE1-N 3.48Å; E253-N331 PolarHBondContact OE1-ND2 3.48Å; I292-N331 CarbonylContact O-C 3.54Å; S293-N331 PolarHBondContact OG-OD1 3.44Å; N331-S336 WeakPolarHBondContact CB-O 3.32Å
332A94.2Very high90.3Very high0 Ų045.8 Ų45.80%030%0.301CS..EExtended strand (participates in β ladder)trans-125130.916400000109.4I280 Q284 N291 I292 F330I280-A332 HydrophobicContact CG2-CB 3.9Å; Q284-A332 HydrophobicContact CB-CB 4.24Å; Q284-A332 HydrophobicContact CG-CB 4.21Å; N291-A332 CarbonylContact C-O 3.51Å; N291-A332 VanDerWaalsContact CA-O 3.28Å; N291-A332 WeakPolarHBondContact CA-O 3.42Å; I292-A332 HydrophobicContact CB-CB 4.38Å; I292-A332 PolarHBondContact N-O 2.92Å; I292-A332 PolarHBondContact O-N 3.35Å; F330-A332 HydrophobicContact CE1-CB 4Å; F330-A332 HydrophobicContact CZ-CB 4.41Å
333P94.6Very high90.8Very high47 Ų4744.8 Ų44.831%0.30528%0.283SS..SBendcis-57.8143.33.5-21.931000114L290 G335 S336L290-P333 WeakPolarHBondContact O-CD 3.43Å; P333-G335 PolarHBondContact O-N 3.48Å; P333-S336 VanDerWaalsContact O-CB 3.29Å; P333-S336 WeakPolarHBondContact O-CB 3.32Å; P333-S336 PolarHBondContact O-N 3.44Å; P333-S336 VanDerWaalsContact O-N 3.09Å; P333-S336 PolarHBondContact O-OG 3.19Å
334L89.7Confident91.2Very high71 Ų7146.5 Ų46.537%0.37229%0.285SS..THydrogen-bonded Turntrans-60.9135.5-178.7-59.8176.3000110F252 V277 F330 S336F252-L334 HydrophobicContact CD1-CD2 3.97Å; F252-L334 HydrophobicContact CE1-CD1 3.8Å; F252-L334 HydrophobicContact CE1-CD2 3.72Å; F252-L334 HydrophobicContact CE1-CG 4.33Å; F252-L334 HydrophobicContact CZ-CD1 4.2Å; V277-L334 HydrophobicContact CG1-CD1 4.45Å; V277-L334 HydrophobicContact CG1-CD2 4.26Å; F330-L334 HydrophobicContact CE2-CD2 3.84Å; F330-L334 HydrophobicContact CZ-CD2 3.79Å; L334-S336 PolarHBondContact O-N 2.91Å
335G84.6Confident91.5Very high81 Ų8140.2 Ų40.284%0.83526%0.256SS*.THydrogen-bonded Turntrans79.8-2-176.600000115.1P333P333-G335 PolarHBondContact O-N 3.48Å
336S88.9Confident91.7Very high40 Ų4039.8 Ų39.828%0.2825%0.254SS..  trans-83.2161.9169.374.10000111.7N331 P333 L334N331-S336 WeakPolarHBondContact CB-O 3.32Å; P333-S336 VanDerWaalsContact O-CB 3.29Å; P333-S336 WeakPolarHBondContact O-CB 3.32Å; P333-S336 PolarHBondContact O-N 3.44Å; P333-S336 VanDerWaalsContact O-N 3.09Å; P333-S336 PolarHBondContact O-OG 3.19Å; L334-S336 PolarHBondContact O-N 2.91Å
337S87.9Confident91.7Very high102 Ų10240 Ų4071%0.71326%0.255SS*.  trans-123.7141.7168.959.20000109.3
338L89Confident91.6Very high8 Ų842.4 Ų42.44%0.04227%0.265CS..  trans-55.3144.5166.7-79.6168.3000110.8N291 S293 D342 I343 I346 V397N291-L338 HydrophobicContact CB-CD2 3.62Å; N291-L338 HydrophobicContact CB-CG 4.46Å; N291-L338 WeakPolarHBondContact OD1-CD2 3.37Å; N291-L338 WeakPolarHBondContact OD1-CG 3.46Å; S293-L338 WeakPolarHBondContact OG-CD1 3.35Å; S293-L338 WeakPolarHBondContact OG-CG 3.08Å; L338-D342 HydrophobicContact CD2-CB 4.05Å; L338-I343 HydrophobicContact CB-CD1 4Å; L338-I343 HydrophobicContact CB-CG1 3.53Å; L338-I343 HydrophobicContact CD1-CG1 4.08Å; L338-I343 HydrophobicContact CG-CG1 4.47Å; L338-I346 HydrophobicContact CD1-CD1 3.96Å; L338-I346 HydrophobicContact CD2-CD1 4.35Å; L338-V397 HydrophobicContact CD2-CG2 3.86Å
339S90.8Very high91.3Very high45 Ų4541.5 Ų41.532%0.31526%0.256SS..  trans-65.2148172.683.40000109.8V341 D342 I343S339-V341 PolarHBondContact O-N 2.95Å; S339-V341 VanDerWaalsContact O-N 3.08Å; S339-D342 WeakPolarHBondContact CB-OD2 3.12Å; S339-D342 PolarHBondContact O-N 2.92Å; S339-D342 PolarHBondContact OG-N 3.18Å; S339-D342 VanDerWaalsContact OG-N 3.15Å; S339-D342 PolarHBondContact OG-OD2 3.24Å; S339-I343 WeakPolarHBondContact O-CG1 3.42Å; S339-I343 PolarHBondContact O-N 3.26Å
340P90.3Very high90.9Very high111 Ų11141.4 Ų41.472%0.72126%0.256SS*.Hα-helixtrans-54.3-31.1177.4-28.635.6000113.5Y344P340-Y344 WeakPolarHBondContact O-CB 3.37Å; P340-Y344 PolarHBondContact O-N 3.43Å
341V92.5Very high90.4Very high75 Ų7545 Ų4546%0.45528%0.275SS..Hα-helixtrans-72.3-42178.7-171.80000111.3S339 Y344 T345 L379S339-V341 PolarHBondContact O-N 2.95Å; S339-V341 VanDerWaalsContact O-N 3.08Å; V341-Y344 WeakPolarHBondContact O-CB 3.26Å; V341-Y344 PolarHBondContact O-N 2.85Å; V341-T345 PolarHBondContact O-N 2.99Å; V341-T345 PolarHBondContact O-OG1 3.38Å; V341-L379 HydrophobicContact CG1-CD1 3.55Å; V341-L379 HydrophobicContact CG1-CD2 3.81Å; V341-L379 HydrophobicContact CG1-CG 4.31Å
342D93.8Very high89.4Confident13 Ų1347.5 Ų47.57%0.0729%0.293CS..Hα-helixtrans-63.7-43.5175.6-64.6-55.3000111L338 S339 Y344 T345 I346 H381 Y383L338-D342 HydrophobicContact CD2-CB 4.05Å; S339-D342 WeakPolarHBondContact CB-OD2 3.12Å; S339-D342 PolarHBondContact O-N 2.92Å; S339-D342 PolarHBondContact OG-N 3.18Å; S339-D342 VanDerWaalsContact OG-N 3.15Å; S339-D342 PolarHBondContact OG-OD2 3.24Å; D342-Y344 VanDerWaalsContact C-N 3.32Å; D342-Y344 PolarHBondContact O-N 2.93Å; D342-T345 PolarHBondContact O-N 3.43Å; D342-I346 WeakPolarHBondContact O-CB 3.18Å; D342-I346 WeakPolarHBondContact O-CD1 3.47Å; D342-I346 WeakPolarHBondContact O-CG1 3.38Å; D342-I346 PolarHBondContact O-N 3.29Å; D342-H381 IonicContact OD1-CE1 3.95Å; D342-H381 PolarHBondContact OD1-CE1 3.23Å; D342-H381 IonicContact OD1-ND1 3.47Å; D342-H381 PolarHBondContact OD1-ND1 2.97Å; D342-H381 IonicContact OD2-CE1 3.66Å; D342-Y383 HydrophobicContact CB-CE1 4.25Å; D342-Y383 PolarHBondContact OD1-OH 3.44Å
343I92.3Very high87.9Confident33 Ų3350.1 Ų50.117%0.16931%0.309CS..Hα-helixtrans-57.5-48.3175.9-62.8175000109.7I323 L338 S339 T345 I346 V347I323-I343 HydrophobicContact CG2-CG2 3.64Å; L338-I343 HydrophobicContact CB-CD1 4Å; L338-I343 HydrophobicContact CB-CG1 3.53Å; L338-I343 HydrophobicContact CD1-CG1 4.08Å; L338-I343 HydrophobicContact CG-CG1 4.47Å; S339-I343 WeakPolarHBondContact O-CG1 3.42Å; S339-I343 PolarHBondContact O-N 3.26Å; I343-T345 PolarHBondContact O-N 2.84Å; I343-I346 PolarHBondContact O-N 3.07Å; I343-V347 HydrophobicContact CG2-CG2 4.08Å; I343-V347 WeakPolarHBondContact O-CB 3.38Å; I343-V347 VanDerWaalsContact O-CG2 3.29Å; I343-V347 WeakPolarHBondContact O-CG2 3.42Å; I343-V347 PolarHBondContact O-N 3.3Å
344Y92Very high86.2Confident114 Ų11448.9 Ų48.945%0.44730%0.3SS..Hα-helixtrans-56.7-49.4178-178.8-101.2000111.9I323 P340 V341 D342 I346 V347 M348I323-Y344 HydrophobicContact CD1-CD2 3.55Å; I323-Y344 HydrophobicContact CD1-CE2 4.12Å; I323-Y344 HydrophobicContact CG1-CD2 4.09Å; P340-Y344 WeakPolarHBondContact O-CB 3.37Å; P340-Y344 PolarHBondContact O-N 3.43Å; V341-Y344 WeakPolarHBondContact O-CB 3.26Å; V341-Y344 PolarHBondContact O-N 2.85Å; D342-Y344 VanDerWaalsContact C-N 3.32Å; D342-Y344 PolarHBondContact O-N 2.93Å; Y344-I346 PolarHBondContact O-N 2.88Å; Y344-V347 PolarHBondContact O-N 2.92Å; Y344-M348 HydrophobicContact CD1-CE 4.19Å; Y344-M348 HydrophobicContact CD1-CG 4.23Å; Y344-M348 HydrophobicContact CD1-SD 4.24Å; Y344-M348 HydrophobicContact CD2-CG 4.48Å; Y344-M348 HydrophobicContact CE1-CE 3.61Å; Y344-M348 HydrophobicContact CE1-CG 3.85Å; Y344-M348 HydrophobicContact CE1-SD 3.37Å; Y344-M348 WeakPolarHBondContact CE1-SD 3.31Å; Y344-M348 HydrophobicContact CE2-CG 4.14Å; Y344-M348 HydrophobicContact CE2-SD 4.3Å; Y344-M348 WeakPolarHBondContact O-CB 3.45Å; Y344-M348 VanDerWaalsContact O-CG 3.32Å; Y344-M348 WeakPolarHBondContact O-CG 3.43Å; Y344-M348 PolarHBondContact O-N 3.39Å; Y344-M348 PolarHBondContact OH-SD 3.26Å
345T92.3Very high84.8Confident11 Ų1148 Ų487%0.06729%0.294CS..Hα-helixtrans-58.4-49.5178.2-63.20000111V341 D342 I343 M348 Q349 Y383V341-T345 PolarHBondContact O-N 2.99Å; V341-T345 PolarHBondContact O-OG1 3.38Å; D342-T345 PolarHBondContact O-N 3.43Å; I343-T345 PolarHBondContact O-N 2.84Å; T345-M348 PolarHBondContact O-N 2.99Å; T345-Q349 VanDerWaalsContact O-CG 3.28Å; T345-Q349 WeakPolarHBondContact O-CG 3.43Å; T345-Q349 PolarHBondContact O-N 3.29Å; T345-Y383 HydrophobicContact CG2-CD1 4.49Å; T345-Y383 HydrophobicContact CG2-CD2 4.18Å; T345-Y383 HydrophobicContact CG2-CE1 4.15Å; T345-Y383 HydrophobicContact CG2-CE2 3.83Å; T345-Y383 HydrophobicContact CG2-CG 4.5Å
346I93.2Very high83Confident0 Ų050.9 Ų50.90%029%0.29CS..Hα-helixtrans-60.2-50.2-179.9-67.5160.5000111L295 L338 D342 I343 Y344 M348 Q349 I350 Y383 I385 A395 V397L295-I346 HydrophobicContact CD1-CG2 3.94Å; L295-I346 HydrophobicContact CD2-CG2 3.91Å; L338-I346 HydrophobicContact CD1-CD1 3.96Å; L338-I346 HydrophobicContact CD2-CD1 4.35Å; D342-I346 WeakPolarHBondContact O-CB 3.18Å; D342-I346 WeakPolarHBondContact O-CD1 3.47Å; D342-I346 WeakPolarHBondContact O-CG1 3.38Å; D342-I346 PolarHBondContact O-N 3.29Å; I343-I346 PolarHBondContact O-N 3.07Å; Y344-I346 PolarHBondContact O-N 2.88Å; I346-M348 VanDerWaalsContact C-N 3.34Å; I346-M348 PolarHBondContact O-N 3.33Å; I346-Q349 WeakPolarHBondContact O-CB 3.13Å; I346-Q349 PolarHBondContact O-N 3Å; I346-Q349 VanDerWaalsContact O-N 3.09Å; I346-I350 HydrophobicContact CG2-CD1 3.78Å; I346-I350 HydrophobicContact CG2-CG1 4.46Å; I346-I350 WeakPolarHBondContact O-CG1 3.29Å; I346-I350 PolarHBondContact O-N 3.49Å; I346-Y383 HydrophobicContact CD1-CD1 4.45Å; I346-Y383 HydrophobicContact CG1-CD1 3.98Å; I346-Y383 HydrophobicContact CG1-CE1 4.35Å; I346-I385 HydrophobicContact CB-CD1 4.29Å; I346-I385 HydrophobicContact CG1-CD1 4.21Å; I346-I385 HydrophobicContact CG2-CD1 4.16Å; I346-A395 HydrophobicContact CD1-CB 3.7Å; I346-A395 HydrophobicContact CG1-CB 4.11Å; I346-A395 HydrophobicContact CG2-CB 3.97Å; I346-V397 HydrophobicContact CD1-CG2 4.11Å
347V90.3Very high80.9Confident4 Ų451.6 Ų51.62%0.02430%0.295CS..Hα-helixtrans-63.6-39.8-179.1170.20000111.3I323 I326 I343 Y344 Q349 I350 N351I323-V347 HydrophobicContact CG2-CB 4.48Å; I323-V347 HydrophobicContact CG2-CG2 4.23Å; I326-V347 HydrophobicContact CB-CG2 3.91Å; I326-V347 HydrophobicContact CD1-CG1 4.1Å; I326-V347 HydrophobicContact CG2-CG2 4.22Å; I343-V347 HydrophobicContact CG2-CG2 4.08Å; I343-V347 WeakPolarHBondContact O-CB 3.38Å; I343-V347 VanDerWaalsContact O-CG2 3.29Å; I343-V347 WeakPolarHBondContact O-CG2 3.42Å; I343-V347 PolarHBondContact O-N 3.3Å; Y344-V347 PolarHBondContact O-N 2.92Å; V347-Q349 VanDerWaalsContact C-N 3.33Å; V347-Q349 PolarHBondContact O-N 3.04Å; V347-I350 PolarHBondContact O-N 3.07Å; V347-N351 WeakPolarHBondContact O-CB 3.37Å; V347-N351 PolarHBondContact O-N 3.49Å
348M89.3Confident78.8Confident80 Ų8051 Ų5139%0.39430%0.304SS..Hα-helixtrans-61.3-41.3172.3-76.3-148.5-48.100112.3Y344 T345 I346 I350 S352Y344-M348 HydrophobicContact CD1-CE 4.19Å; Y344-M348 HydrophobicContact CD1-CG 4.23Å; Y344-M348 HydrophobicContact CD1-SD 4.24Å; Y344-M348 HydrophobicContact CD2-CG 4.48Å; Y344-M348 HydrophobicContact CE1-CE 3.61Å; Y344-M348 HydrophobicContact CE1-CG 3.85Å; Y344-M348 HydrophobicContact CE1-SD 3.37Å; Y344-M348 WeakPolarHBondContact CE1-SD 3.31Å; Y344-M348 HydrophobicContact CE2-CG 4.14Å; Y344-M348 HydrophobicContact CE2-SD 4.3Å; Y344-M348 WeakPolarHBondContact O-CB 3.45Å; Y344-M348 VanDerWaalsContact O-CG 3.32Å; Y344-M348 WeakPolarHBondContact O-CG 3.43Å; Y344-M348 PolarHBondContact O-N 3.39Å; Y344-M348 PolarHBondContact OH-SD 3.26Å; T345-M348 PolarHBondContact O-N 2.99Å; I346-M348 VanDerWaalsContact C-N 3.34Å; I346-M348 PolarHBondContact O-N 3.33Å; M348-I350 VanDerWaalsContact C-N 3.32Å; M348-S352 VanDerWaalsContact O-CB 3.23Å; M348-S352 WeakPolarHBondContact O-CB 3.41Å; M348-S352 PolarHBondContact O-N 3.05Å; M348-S352 PolarHBondContact O-OG 2.69Å
349Q88.7Confident76.6Confident26 Ų2656.8 Ų56.812%0.12134%0.335CS..Hα-helixtrans-64.7-39.3176.1-62.6-42.2-57.800111.4T345 I346 V347 S352 T353 R372 V374 I385T345-Q349 VanDerWaalsContact O-CG 3.28Å; T345-Q349 WeakPolarHBondContact O-CG 3.43Å; T345-Q349 PolarHBondContact O-N 3.29Å; I346-Q349 WeakPolarHBondContact O-CB 3.13Å; I346-Q349 PolarHBondContact O-N 3Å; I346-Q349 VanDerWaalsContact O-N 3.09Å; V347-Q349 VanDerWaalsContact C-N 3.33Å; V347-Q349 PolarHBondContact O-N 3.04Å; Q349-S352 WeakPolarHBondContact CA-OG 3.23Å; Q349-S352 PolarHBondContact O-OG 2.99Å; Q349-T353 PolarHBondContact O-N 3.49Å; Q349-T353 PolarHBondContact O-OG1 2.85Å; Q349-R372 PolarHBondContact O-NH1 3.18Å; Q349-V374 HydrophobicContact CG-CG2 3.99Å; Q349-I385 HydrophobicContact CB-CD1 3.49Å; Q349-I385 VanDerWaalsContact CB-CD1 3.49Å; Q349-I385 HydrophobicContact CG-CD1 3.7Å
350I85.5Confident74.6Confident0 Ų063.2 Ų63.20%037%0.366CS..Hα-helixtrans-63.2-53.4176.3-68.3167.8000110.3I326 I346 V347 M348 S352 T353 L354 H355 I385 F393I326-I350 HydrophobicContact CD1-CB 4.36Å; I326-I350 HydrophobicContact CD1-CG2 3.74Å; I326-I350 HydrophobicContact CG2-CD1 4.16Å; I346-I350 HydrophobicContact CG2-CD1 3.78Å; I346-I350 HydrophobicContact CG2-CG1 4.46Å; I346-I350 WeakPolarHBondContact O-CG1 3.29Å; I346-I350 PolarHBondContact O-N 3.49Å; V347-I350 PolarHBondContact O-N 3.07Å; M348-I350 VanDerWaalsContact C-N 3.32Å; I350-S352 PolarHBondContact O-N 2.95Å; I350-T353 PolarHBondContact O-N 3.48Å; I350-L354 HydrophobicContact CG1-CD1 4.21Å; I350-L354 HydrophobicContact CG2-CB 4.44Å; I350-L354 WeakPolarHBondContact O-CA 3.43Å; I350-L354 WeakPolarHBondContact O-CB 3.36Å; I350-L354 PolarHBondContact O-N 3.27Å; I350-H355 VanDerWaalsContact CG2-CD2 3.49Å; I350-H355 WeakPolarHBondContact CG2-CD2 3.32Å; I350-H355 WeakPolarHBondContact CG2-NE2 3.31Å; I350-I385 HydrophobicContact CD1-CG2 4.47Å; I350-I385 HydrophobicContact CG1-CG2 3.97Å; I350-F393 HydrophobicContact CD1-CB 3.9Å; I350-F393 HydrophobicContact CD1-CD1 4.15Å; I350-F393 HydrophobicContact CD1-CD2 4.15Å; I350-F393 HydrophobicContact CD1-CG 3.8Å; I350-F393 HydrophobicContact CG1-CD1 4.05Å; I350-F393 HydrophobicContact CG1-CE1 4.43Å; I350-F393 HydrophobicContact CG1-CG 4.23Å; I350-F393 HydrophobicContact CG2-CD1 4.23Å; I350-F393 HydrophobicContact CG2-CD2 4.42Å; I350-F393 HydrophobicContact CG2-CE1 3.83Å; I350-F393 HydrophobicContact CG2-CE2 4.04Å; I350-F393 HydrophobicContact CG2-CZ 3.71Å
351N82.8Confident72.8Confident77 Ų7766.3 Ų66.341%0.41237%0.368SS..Hα-helixtrans-63.1-37.8-179.4-72.5-19.1000113.6V347 T353 H355V347-N351 WeakPolarHBondContact O-CB 3.37Å; V347-N351 PolarHBondContact O-N 3.49Å; N351-T353 PolarHBondContact O-N 3.38Å; N351-H355 PolarHBondContact OD1-CD2 3.46Å
352S74.7Confident71Confident60 Ų6065.6 Ų65.642%0.4236%0.361SS..Hα-helixtrans-74.3-21.5-177.556.80000114.7M348 Q349 I350 L356 R372M348-S352 VanDerWaalsContact O-CB 3.23Å; M348-S352 WeakPolarHBondContact O-CB 3.41Å; M348-S352 PolarHBondContact O-N 3.05Å; M348-S352 PolarHBondContact O-OG 2.69Å; Q349-S352 WeakPolarHBondContact CA-OG 3.23Å; Q349-S352 PolarHBondContact O-OG 2.99Å; I350-S352 PolarHBondContact O-N 2.95Å; S352-L356 WeakPolarHBondContact O-CD1 3.45Å; S352-R372 PolarHBondContact OG-NH1 3.1Å
353T62.1Low69.4Low55 Ų5568.1 Ų68.134%0.33738%0.375SS..Hα-helixtrans-135.5-23-172.354.10000116.1Q349 I350 N351 R372Q349-T353 PolarHBondContact O-N 3.49Å; Q349-T353 PolarHBondContact O-OG1 2.85Å; I350-T353 PolarHBondContact O-N 3.48Å; N351-T353 PolarHBondContact O-N 3.38Å; T353-R372 PolarHBondContact OG1-NH1 2.95Å
354L58.5Low68.1Low20 Ų2068.8 Ų68.811%0.10538%0.38CS..THydrogen-bonded Turntrans-107.4-8.7-171.6-63.2170.5000113.3I350 I385 K387 F393I350-L354 HydrophobicContact CG1-CD1 4.21Å; I350-L354 HydrophobicContact CG2-CB 4.44Å; I350-L354 WeakPolarHBondContact O-CA 3.43Å; I350-L354 WeakPolarHBondContact O-CB 3.36Å; I350-L354 PolarHBondContact O-N 3.27Å; L354-I385 HydrophobicContact CD1-CG2 4.34Å; L354-K387 HydrophobicContact CD2-CB 4.38Å; L354-F393 HydrophobicContact CB-CE1 3.91Å; L354-F393 HydrophobicContact CD1-CD1 3.81Å; L354-F393 HydrophobicContact CD1-CE1 3.7Å; L354-F393 HydrophobicContact CG-CE1 4.37Å
355H60.2Low66.9Low53 Ų5365.4 Ų65.425%0.24537%0.373CS..SBendtrans-106.715.4176.6-74-65.2000114.6D297 I350 N351 S357 F393D297-H355 IonicContact OD2-CE1 2.79Å; D297-H355 PolarHBondContact OD2-CE1 2.86Å; D297-H355 IonicContact OD2-ND1 2.97Å; D297-H355 IonicContact OD2-NE2 3.56Å; I350-H355 VanDerWaalsContact CG2-CD2 3.49Å; I350-H355 WeakPolarHBondContact CG2-CD2 3.32Å; I350-H355 WeakPolarHBondContact CG2-NE2 3.31Å; N351-H355 PolarHBondContact OD1-CD2 3.46Å; H355-S357 VanDerWaalsContact C-N 3.27Å; H355-S357 PolarHBondContact O-N 3.43Å; H355-S357 VanDerWaalsContact O-N 3.13Å; H355-F393 AromaticContact NE2-CZ 3.82Å
356L48.5Very low65.8Low142 Ų14265.4 Ų65.474%0.74337%0.373SS*.  trans-83.226.3-173.6-75.3170.5000116S352S352-L356 WeakPolarHBondContact O-CD1 3.45Å
357S44.3Very low64.9Low55 Ų5565.6 Ų65.639%0.38537%0.373SS..  trans-120.3100.516530.90000109.9H355 D359H355-S357 VanDerWaalsContact C-N 3.27Å; H355-S357 PolarHBondContact O-N 3.43Å; H355-S357 VanDerWaalsContact O-N 3.13Å; S357-D359 PolarHBondContact O-N 3.15Å; S357-D359 VanDerWaalsContact O-N 3.08Å
358G44.1Very low64.3Low88 Ų8870.7 Ų70.791%0.90740%0.4SS*.  trans-74.425.9170.600000113.9
359D42.7Very low64Low130 Ų13072.1 Ų72.170%0.69540%0.404SS*.SBendtrans-124.5133174.2-89.9-25.5000107.7S357 K361S357-D359 PolarHBondContact O-N 3.15Å; S357-D359 VanDerWaalsContact O-N 3.08Å; D359-K361 PolarHBondContact O-N 3.3Å
360D49.1Very low63.8Low180 Ų18078.4 Ų78.496%0.96343%0.433SS*.SBendtrans-55.610-178.8-74-37.1000116.1
361K51.8Low64Low177 Ų17779.3 Ų79.377%0.7744%0.44SS*.SBendtrans-95.2107.3173.5-69.5-178.6-178.2172.30108.9D359 D363D359-K361 PolarHBondContact O-N 3.3Å; K361-D363 PolarHBondContact O-N 3.43Å
362I55.7Low64.4Low59 Ų5979.2 Ų79.230%0.30343%0.433SS..  trans-45108.1164.7-57.4172.9000107.8T141 V364 C390T141-I362 HydrophobicContact CG2-CG2 4.18Å; I362-V364 VanDerWaalsContact C-N 3.27Å; I362-V364 WeakPolarHBondContact O-CG2 3.21Å; I362-V364 PolarHBondContact O-N 3.46Å; I362-C390 HydrophobicContact CD1-CB 3.9Å; I362-C390 HydrophobicContact CG1-CB 4.31Å
363D59.9Low65.3Low67 Ų6779.9 Ų79.936%0.35843%0.427SS..  trans-69.695.8171.4-171.5-0.6000107.7K361 S365 D366K361-D363 PolarHBondContact O-N 3.43Å; D363-S365 PolarHBondContact O-N 2.97Å; D363-S365 WeakPolarHBondContact OD1-CB 3.47Å; D363-S365 PolarHBondContact OD1-N 2.96Å; D363-S365 PolarHBondContact OD1-OG 3.48Å; D363-S365 PolarHBondContact OD2-OG 3.23Å; D363-D366 WeakPolarHBondContact O-CB 3.27Å; D363-D366 PolarHBondContact O-N 2.69Å
364V63.9Low66.8Low46 Ų4678.7 Ų78.728%0.27942%0.42SS..Hα-helixtrans-53.1-25.2177.3-174.20000110.8L137 T141 I362 D366 I367L137-V364 HydrophobicContact CB-CG1 3.85Å; L137-V364 HydrophobicContact CD1-CG1 3.19Å; L137-V364 HydrophobicContact CG-CG1 4.07Å; T141-V364 HydrophobicContact CG2-CG2 4.14Å; I362-V364 VanDerWaalsContact C-N 3.27Å; I362-V364 WeakPolarHBondContact O-CG2 3.21Å; I362-V364 PolarHBondContact O-N 3.46Å; V364-D366 VanDerWaalsContact C-N 3.26Å; V364-D366 PolarHBondContact O-N 3.13Å; V364-I367 PolarHBondContact O-N 3.23Å
365S67Low68.6Low44 Ų4480.9 Ų80.931%0.30843%0.427SS..Hα-helixtrans-61.8-31.9177.488.20000112.7D363 I367 L368 K369D363-S365 PolarHBondContact O-N 2.97Å; D363-S365 WeakPolarHBondContact OD1-CB 3.47Å; D363-S365 PolarHBondContact OD1-N 2.96Å; D363-S365 PolarHBondContact OD1-OG 3.48Å; D363-S365 PolarHBondContact OD2-OG 3.23Å; S365-I367 PolarHBondContact O-N 2.86Å; S365-L368 PolarHBondContact O-N 3.37Å; S365-K369 WeakPolarHBondContact O-CG 3.23Å; S365-K369 PolarHBondContact O-N 2.94Å; S365-K369 VanDerWaalsContact O-N 3.12Å
366D69.4Low70.2Confident11 Ų1180.3 Ų80.36%0.05943%0.426CS..Hα-helixtrans-68.4-34.8-178.4-71.5-27000112.9D363 V364 L368 K369 K386 K387D363-D366 WeakPolarHBondContact O-CB 3.27Å; D363-D366 PolarHBondContact O-N 2.69Å; V364-D366 VanDerWaalsContact C-N 3.26Å; V364-D366 PolarHBondContact O-N 3.13Å; D366-L368 PolarHBondContact O-N 3.41Å; D366-K369 PolarHBondContact O-N 2.98Å; D366-K369 WeakPolarHBondContact OD1-CE 3.35Å; D366-K369 IonicContact OD1-NZ 3.34Å; D366-K369 PolarHBondContact OD1-NZ 2.91Å; D366-K386 PolarHBondContact O-NZ 2.84Å; D366-K387 HydrophobicContact CB-CD 4.06Å
367I75.4Confident72.3Confident3 Ų381.3 Ų81.32%0.01543%0.427CS..Hα-helixtrans-67.3-23.9175.2-59.5175.6000110.5L137 I140 T141 V364 S365 K386L137-I367 HydrophobicContact CD2-CG2 4Å; I140-I367 HydrophobicContact CD1-CD1 3.98Å; T141-I367 HydrophobicContact CG2-CD1 4.39Å; V364-I367 PolarHBondContact O-N 3.23Å; S365-I367 PolarHBondContact O-N 2.86Å; I367-K386 VanDerWaalsContact C-NZ 3.26Å; I367-K386 PolarHBondContact O-NZ 3.21Å
368L76.2Confident74.7Confident111 Ų11188.3 Ų88.358%0.58145%0.45SS*.Hα-helixtrans-92.3-14.7178.3-65177.1000114.2L137 S365 D366L137-L368 HydrophobicContact CD1-CD1 3.87Å; L137-L368 HydrophobicContact CD1-CD2 3.92Å; L137-L368 HydrophobicContact CD1-CG 3.85Å; S365-L368 PolarHBondContact O-N 3.37Å; D366-L368 PolarHBondContact O-N 3.41Å
369K82.9Confident77Confident111 Ų11186.9 Ų86.948%0.48342%0.422SS..SBendtrans-65.1154.4179.7-75.7172.4-167.2167.90112.3S365 D366 K386S365-K369 WeakPolarHBondContact O-CG 3.23Å; S365-K369 PolarHBondContact O-N 2.94Å; S365-K369 VanDerWaalsContact O-N 3.12Å; D366-K369 PolarHBondContact O-N 2.98Å; D366-K369 WeakPolarHBondContact OD1-CE 3.35Å; D366-K369 IonicContact OD1-NZ 3.34Å; D366-K369 PolarHBondContact OD1-NZ 2.91Å; K369-K386 VanDerWaalsContact O-CE 3.3Å; K369-K386 WeakPolarHBondContact O-CE 3.44Å; K369-K386 PolarHBondContact O-NZ 3.02Å
370Q84.4Confident79.5Confident157 Ų15784 Ų8473%0.73441%0.406SS*.PPolyproline II helixtrans-62.2155.4172.3-68.8-63.1-31.400111.2R372Q370-R372 PolarHBondContact O-N 3.12Å
371P90.3Very high81.8Confident20 Ų2077 Ų7713%0.1337%0.368CS..PPolyproline II helixtrans-57.2139.3173.525.1-33.9000110.4Y373 I385 K386 I413P371-Y373 PolarHBondContact O-N 2.71Å; P371-I385 CarbonylContact C-O 3.6Å; P371-I385 WeakPolarHBondContact CA-O 3.5Å; P371-K386 HydrophobicContact CB-CB 4.16Å; P371-I413 HydrophobicContact CB-CD1 4Å; P371-I413 HydrophobicContact CB-CG2 4.43Å; P371-I413 HydrophobicContact CG-CD1 3.96Å; P371-I413 HydrophobicContact CG-CG2 4.4Å
372R90.6Very high84Confident75 Ų7568.6 Ų68.628%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-70127.2171-173.5173.3-173.6-178.23.7108.6Q349 S352 T353 Q370 V374 Y384 I385Q349-R372 PolarHBondContact O-NH1 3.18Å; S352-R372 PolarHBondContact OG-NH1 3.1Å; T353-R372 PolarHBondContact OG1-NH1 2.95Å; Q370-R372 PolarHBondContact O-N 3.12Å; R372-V374 HydrophobicContact CG-CG2 4.25Å; R372-Y384 CarbonylContact O-C 3.6Å; R372-Y384 WeakPolarHBondContact O-CA 3.48Å; R372-I385 HydrophobicContact CB-CB 4.44Å; R372-I385 PolarHBondContact N-O 3.28Å; R372-I385 PolarHBondContact O-N 3.4Å
373Y93.9Very high86Confident73 Ų7365.9 Ų65.929%0.28632%0.317SS..EExtended strand (participates in β ladder)trans-105.6130.8177.5172.4-85.2000109.7P371 T382 Y383 Y384 L401 K402 H404P371-Y373 PolarHBondContact O-N 2.71Å; Y373-T382 HydrophobicContact CD2-CG2 4.07Å; Y373-T382 HydrophobicContact CE2-CG2 3.34Å; Y373-Y383 WeakPolarHBondContact CA-O 3.22Å; Y373-Y384 HydrophobicContact CD2-CD1 4.23Å; Y373-Y384 AromaticContact CD2-CE1 3.69Å; Y373-Y384 HydrophobicContact CD2-CE1 3.69Å; Y373-Y384 HydrophobicContact CD2-CE2 4.34Å; Y373-Y384 AromaticContact CD2-CZ 3.74Å; Y373-Y384 HydrophobicContact CE2-CE1 4.31Å; Y373-Y384 HydrophobicContact CE2-CE2 4.42Å; Y373-Y384 AromaticContact CE2-CZ 3.91Å; Y373-L401 VanDerWaalsContact OH-CD1 3.26Å; Y373-L401 WeakPolarHBondContact OH-CD1 3.29Å; Y373-K402 WeakPolarHBondContact CE2-O 3.48Å; Y373-K402 PolarHBondContact OH-O 3.06Å; Y373-H404 HydrophobicContact CD1-CB 4.02Å; Y373-H404 HydrophobicContact CD2-CB 3.59Å; Y373-H404 HydrophobicContact CE1-CB 4.38Å; Y373-H404 HydrophobicContact CE2-CB 3.93Å; Y373-H404 HydrophobicContact CG-CB 3.62Å
374V93.9Very high87.7Confident30 Ų3062.8 Ų62.818%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-140.4134.7175.3-178.90000109Q349 R372 T382 Y383Q349-V374 HydrophobicContact CG-CG2 3.99Å; R372-V374 HydrophobicContact CG-CG2 4.25Å; V374-T382 CarbonylContact O-C 3.41Å; V374-T382 WeakPolarHBondContact O-CA 3.38Å; V374-Y383 HydrophobicContact CB-CD2 4.49Å; V374-Y383 PolarHBondContact N-O 3.14Å; V374-Y383 PolarHBondContact O-N 3.07Å
375Y95.8Very high89.2Confident67 Ų6760.7 Ų60.726%0.26329%0.287SS..EExtended strand (participates in β ladder)trans-114.7125.1167.9174.2-117.8000108.5E377 N380 H381 T382 L401Y375-E377 HydrophobicContact CD1-CG 3.91Å; Y375-E377 HydrophobicContact CE1-CB 4.38Å; Y375-E377 HydrophobicContact CE1-CG 3.53Å; Y375-N380 PolarHBondContact OH-OD1 2.83Å; Y375-H381 VanDerWaalsContact CD2-O 3.26Å; Y375-H381 WeakPolarHBondContact CD2-O 3.39Å; Y375-T382 VanDerWaalsContact CD2-OG1 3.31Å; Y375-T382 WeakPolarHBondContact CD2-OG1 3.49Å; Y375-L401 HydrophobicContact CD1-CD1 3.64Å; Y375-L401 HydrophobicContact CD2-CB 4.36Å; Y375-L401 HydrophobicContact CD2-CD1 3.86Å; Y375-L401 HydrophobicContact CE1-CB 4.43Å; Y375-L401 HydrophobicContact CE1-CD1 4.03Å; Y375-L401 HydrophobicContact CE2-CB 4.01Å; Y375-L401 HydrophobicContact CE2-CD1 4.27Å; Y375-L401 HydrophobicContact CG-CD1 3.53Å
376D94.2Very high90.4Very high41 Ų4159.1 Ų59.122%0.21928%0.275CS..EExtended strand (participates in β ladder)trans-99.7106.3174.7-170.8-39.4000109K378 L379 N380 H381 Y383D376-K378 VanDerWaalsContact C-N 3.26Å; D376-K378 PolarHBondContact O-N 2.66Å; D376-K378 WeakPolarHBondContact OD1-CA 2.99Å; D376-K378 WeakPolarHBondContact OD1-CB 3.37Å; D376-K378 PolarHBondContact OD1-N 3.39Å; D376-L379 HydrophobicContact CB-CB 4.25Å; D376-L379 HydrophobicContact CB-CD1 4.38Å; D376-L379 PolarHBondContact O-N 3.37Å; D376-L379 PolarHBondContact OD1-N 3.09Å; D376-L379 VanDerWaalsContact OD1-N 3.11Å; D376-N380 VanDerWaalsContact O-CA 3.31Å; D376-N380 WeakPolarHBondContact O-CA 3.4Å; D376-N380 PolarHBondContact O-N 2.68Å; D376-H381 PolarHBondContact N-O 3.03Å; D376-H381 PolarHBondContact O-N 3.38Å; D376-H381 VanDerWaalsContact O-N 3.15Å; D376-Y383 HydrophobicContact CB-CE2 3.91Å
377E93.5Very high91.5Very high162 Ų16259.2 Ų59.276%0.75728%0.275SS*.THydrogen-bonded Turntrans-62.5-30.5179.4-73.9179-179.600113.3Y375Y375-E377 HydrophobicContact CD1-CG 3.91Å; Y375-E377 HydrophobicContact CE1-CB 4.38Å; Y375-E377 HydrophobicContact CE1-CG 3.53Å
378K93Very high92.2Very high203 Ų20359.1 Ų59.188%0.88327%0.274SS*.THydrogen-bonded Turntrans-75.6-39-177.3-64.8-179179.2177.60111.4D376 N380D376-K378 VanDerWaalsContact C-N 3.26Å; D376-K378 PolarHBondContact O-N 2.66Å; D376-K378 WeakPolarHBondContact OD1-CA 2.99Å; D376-K378 WeakPolarHBondContact OD1-CB 3.37Å; D376-K378 PolarHBondContact OD1-N 3.39Å; K378-N380 VanDerWaalsContact C-N 3.34Å
379L93.4Very high92.8Very high58 Ų5854 Ų5430%0.30425%0.248SC..THydrogen-bonded Turntrans-85.4-13.4176-59.2173.8000112.2V341 D376 H381 Y383V341-L379 HydrophobicContact CG1-CD1 3.55Å; V341-L379 HydrophobicContact CG1-CD2 3.81Å; V341-L379 HydrophobicContact CG1-CG 4.31Å; D376-L379 HydrophobicContact CB-CB 4.25Å; D376-L379 HydrophobicContact CB-CD1 4.38Å; D376-L379 PolarHBondContact O-N 3.37Å; D376-L379 PolarHBondContact OD1-N 3.09Å; D376-L379 VanDerWaalsContact OD1-N 3.11Å; L379-H381 HydrophobicContact CB-CB 4.13Å; L379-H381 PolarHBondContact O-CD2 3.39Å; L379-H381 PolarHBondContact O-N 3.25Å; L379-Y383 WeakPolarHBondContact CD1-OH 3.44Å
380N95.8Very high92.9Very high68 Ų6850.7 Ų50.736%0.36424%0.238SC..THydrogen-bonded Turntrans53.440.7-169.5-172.544.7000111.3Y375 D376 K378 G400Y375-N380 PolarHBondContact OH-OD1 2.83Å; D376-N380 VanDerWaalsContact O-CA 3.31Å; D376-N380 WeakPolarHBondContact O-CA 3.4Å; D376-N380 PolarHBondContact O-N 2.68Å; K378-N380 VanDerWaalsContact C-N 3.34Å; N380-G400 WeakPolarHBondContact O-CA 3.19Å; N380-G400 PolarHBondContact O-N 3.06Å
381H97.2Very high93Very high35 Ų3544.6 Ų44.616%0.16221%0.208CC..EExtended strand (participates in β ladder)trans-119.9139.5-176.9-75.3-174.7000111.2D342 Y375 D376 L379 Y383 V397 Y398D342-H381 IonicContact OD1-CE1 3.95Å; D342-H381 PolarHBondContact OD1-CE1 3.23Å; D342-H381 IonicContact OD1-ND1 3.47Å; D342-H381 PolarHBondContact OD1-ND1 2.97Å; D342-H381 IonicContact OD2-CE1 3.66Å; Y375-H381 VanDerWaalsContact CD2-O 3.26Å; Y375-H381 WeakPolarHBondContact CD2-O 3.39Å; D376-H381 PolarHBondContact N-O 3.03Å; D376-H381 PolarHBondContact O-N 3.38Å; D376-H381 VanDerWaalsContact O-N 3.15Å; L379-H381 HydrophobicContact CB-CB 4.13Å; L379-H381 PolarHBondContact O-CD2 3.39Å; L379-H381 PolarHBondContact O-N 3.25Å; H381-Y383 HydrophobicContact CB-CE2 3.68Å; H381-V397 HydrophobicContact CB-CG1 4.45Å; H381-Y398 CarbonylContact C-O 3.52Å; H381-Y398 VanDerWaalsContact CA-O 3.27Å; H381-Y398 WeakPolarHBondContact CA-O 3.15Å
382T97.5Very high93.1Very high0 Ų043.7 Ų43.70%020%0.202CC..EExtended strand (participates in β ladder)trans-106.5135.6169.6-570000111.1Y373 V374 Y375 Y384 V397 Y398 G400 L401 K402Y373-T382 HydrophobicContact CD2-CG2 4.07Å; Y373-T382 HydrophobicContact CE2-CG2 3.34Å; V374-T382 CarbonylContact O-C 3.41Å; V374-T382 WeakPolarHBondContact O-CA 3.38Å; Y375-T382 VanDerWaalsContact CD2-OG1 3.31Å; Y375-T382 WeakPolarHBondContact CD2-OG1 3.49Å; T382-Y384 HydrophobicContact CG2-CD2 4.4Å; T382-Y384 HydrophobicContact CG2-CE2 3.79Å; T382-V397 WeakPolarHBondContact O-CA 3.25Å; T382-Y398 PolarHBondContact N-O 3.44Å; T382-Y398 PolarHBondContact O-N 3.45Å; T382-G400 PolarHBondContact OG1-O 3.4Å; T382-L401 WeakPolarHBondContact OG1-CA 3.46Å; T382-K402 HydrophobicContact CG2-CB 3.96Å; T382-K402 PolarHBondContact OG1-N 2.88Å
383Y97Very high93.3Very high1 Ų140.1 Ų40.10%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-119.5133.1-178-53.2-95.6000111.2D342 T345 I346 Y373 V374 D376 L379 H381 L396 V397D342-Y383 HydrophobicContact CB-CE1 4.25Å; D342-Y383 PolarHBondContact OD1-OH 3.44Å; T345-Y383 HydrophobicContact CG2-CD1 4.49Å; T345-Y383 HydrophobicContact CG2-CD2 4.18Å; T345-Y383 HydrophobicContact CG2-CE1 4.15Å; T345-Y383 HydrophobicContact CG2-CE2 3.83Å; T345-Y383 HydrophobicContact CG2-CG 4.5Å; I346-Y383 HydrophobicContact CD1-CD1 4.45Å; I346-Y383 HydrophobicContact CG1-CD1 3.98Å; I346-Y383 HydrophobicContact CG1-CE1 4.35Å; Y373-Y383 WeakPolarHBondContact CA-O 3.22Å; V374-Y383 HydrophobicContact CB-CD2 4.49Å; V374-Y383 PolarHBondContact N-O 3.14Å; V374-Y383 PolarHBondContact O-N 3.07Å; D376-Y383 HydrophobicContact CB-CE2 3.91Å; L379-Y383 WeakPolarHBondContact CD1-OH 3.44Å; H381-Y383 HydrophobicContact CB-CE2 3.68Å; Y383-L396 CarbonylContact C-O 3.59Å; Y383-L396 VanDerWaalsContact CA-O 3.31Å; Y383-L396 WeakPolarHBondContact CA-O 3.4Å; Y383-V397 HydrophobicContact CD1-CG1 4.26Å; Y383-V397 HydrophobicContact CD1-CG2 3.92Å; Y383-V397 HydrophobicContact CE1-CG1 3.95Å; Y383-V397 HydrophobicContact CE1-CG2 4.07Å
384Y96.4Very high93.4Very high2 Ų236.6 Ų36.61%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-115.9119.9164.3-60.5-105.6000108.4R372 Y373 T382 A395 L396 Y398 K402 S403 I409 I413R372-Y384 CarbonylContact O-C 3.6Å; R372-Y384 WeakPolarHBondContact O-CA 3.48Å; Y373-Y384 HydrophobicContact CD2-CD1 4.23Å; Y373-Y384 AromaticContact CD2-CE1 3.69Å; Y373-Y384 HydrophobicContact CD2-CE1 3.69Å; Y373-Y384 HydrophobicContact CD2-CE2 4.34Å; Y373-Y384 AromaticContact CD2-CZ 3.74Å; Y373-Y384 HydrophobicContact CE2-CE1 4.31Å; Y373-Y384 HydrophobicContact CE2-CE2 4.42Å; Y373-Y384 AromaticContact CE2-CZ 3.91Å; T382-Y384 HydrophobicContact CG2-CD2 4.4Å; T382-Y384 HydrophobicContact CG2-CE2 3.79Å; Y384-A395 CarbonylContact O-C 3.56Å; Y384-A395 WeakPolarHBondContact O-CA 3.44Å; Y384-L396 PolarHBondContact N-O 3.04Å; Y384-L396 PolarHBondContact O-N 3.3Å; Y384-Y398 HydrophobicContact CD2-CD2 4.17Å; Y384-Y398 HydrophobicContact CD2-CE2 4.12Å; Y384-Y398 HydrophobicContact CE2-CD2 4.07Å; Y384-Y398 HydrophobicContact CE2-CE2 4.15Å; Y384-K402 HydrophobicContact CE2-CB 4.22Å; Y384-K402 WeakPolarHBondContact OH-CB 3.43Å; Y384-S403 VanDerWaalsContact OH-C 3.25Å; Y384-S403 PolarHBondContact OH-O 3.13Å; Y384-I409 HydrophobicContact CD1-CG2 3.9Å; Y384-I409 HydrophobicContact CD2-CG2 4.06Å; Y384-I409 HydrophobicContact CE1-CG2 3.92Å; Y384-I409 HydrophobicContact CE2-CD1 3.79Å; Y384-I409 HydrophobicContact CE2-CG2 4.11Å; Y384-I409 HydrophobicContact CG-CG2 3.97Å; Y384-I413 HydrophobicContact CD1-CD1 4.27Å; Y384-I413 HydrophobicContact CG-CD1 4.34Å
385I95Very high93.6Very high2 Ų235.2 Ų35.21%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-123.4124-174.7-56.2169.2000109.4I346 Q349 I350 L354 P371 R372 L394 A395I346-I385 HydrophobicContact CB-CD1 4.29Å; I346-I385 HydrophobicContact CG1-CD1 4.21Å; I346-I385 HydrophobicContact CG2-CD1 4.16Å; Q349-I385 HydrophobicContact CB-CD1 3.49Å; Q349-I385 VanDerWaalsContact CB-CD1 3.49Å; Q349-I385 HydrophobicContact CG-CD1 3.7Å; I350-I385 HydrophobicContact CD1-CG2 4.47Å; I350-I385 HydrophobicContact CG1-CG2 3.97Å; L354-I385 HydrophobicContact CD1-CG2 4.34Å; P371-I385 CarbonylContact C-O 3.6Å; P371-I385 WeakPolarHBondContact CA-O 3.5Å; R372-I385 HydrophobicContact CB-CB 4.44Å; R372-I385 PolarHBondContact N-O 3.28Å; R372-I385 PolarHBondContact O-N 3.4Å; I385-L394 CarbonylContact C-O 3.57Å; I385-L394 VanDerWaalsContact CA-O 3.28Å; I385-L394 WeakPolarHBondContact CA-O 3.48Å; I385-A395 HydrophobicContact CG1-CB 4.48Å
386K93.2Very high93.7Very high11 Ų1132.1 Ų32.15%0.04815%0.154CC..EExtended strand (participates in β ladder)trans-132.9127.5-175.5179.159.9-176.5146.30111.1D366 I367 K369 P371 L388 F393 L394 I413D366-K386 PolarHBondContact O-NZ 2.84Å; I367-K386 VanDerWaalsContact C-NZ 3.26Å; I367-K386 PolarHBondContact O-NZ 3.21Å; K369-K386 VanDerWaalsContact O-CE 3.3Å; K369-K386 WeakPolarHBondContact O-CE 3.44Å; K369-K386 PolarHBondContact O-NZ 3.02Å; P371-K386 HydrophobicContact CB-CB 4.16Å; K386-L388 HydrophobicContact CG-CD2 4.28Å; K386-L388 PolarHBondContact O-N 3.21Å; K386-F393 CarbonylContact O-C 3.51Å; K386-F393 WeakPolarHBondContact O-CA 3.3Å; K386-L394 HydrophobicContact CB-CB 4.34Å; K386-L394 PolarHBondContact N-O 2.93Å; K386-L394 PolarHBondContact O-N 3.44Å; K386-I413 HydrophobicContact CB-CG2 4.17Å; K386-I413 HydrophobicContact CG-CG2 3.98Å
387K91.6Very high93.8Very high14 Ų1430.2 Ų30.26%0.06114%0.144CC..EExtended strand (participates in β ladder)trans-72118.3166.3-168.1170.8-170.2171.80109.1L354 D366 E389 C390 F393L354-K387 HydrophobicContact CD2-CB 4.38Å; D366-K387 HydrophobicContact CB-CD 4.06Å; K387-E389 WeakPolarHBondContact CE-O 3.36Å; K387-E389 WeakPolarHBondContact CG-O 3.43Å; K387-C390 WeakPolarHBondContact CE-O 3.37Å; K387-F393 HydrophobicContact CB-CD1 3.98Å; K387-F393 HydrophobicContact CB-CE1 3.91Å; K387-F393 HydrophobicContact CD-CE1 3.93Å; K387-F393 HydrophobicContact CD-CZ 4.37Å; K387-F393 HydrophobicContact CG-CD1 4.11Å; K387-F393 HydrophobicContact CG-CE1 3.71Å; K387-F393 HydrophobicContact CG-CZ 4.34Å
388L91.3Very high94Very high0 Ų022.5 Ų22.50%011%0.108CC..  trans-94.7-46.6178.2-64172.8000110.5L294 K386 V392 L394 T417 I420 C421L294-L388 HydrophobicContact CD2-CD1 3.65Å; K386-L388 HydrophobicContact CG-CD2 4.28Å; K386-L388 PolarHBondContact O-N 3.21Å; L388-V392 HydrophobicContact CD1-CG1 4.28Å; L388-V392 PolarHBondContact N-O 3.38Å; L388-L394 HydrophobicContact CD1-CB 3.69Å; L388-L394 HydrophobicContact CD2-CB 4.29Å; L388-L394 HydrophobicContact CG-CB 3.91Å; L388-T417 HydrophobicContact CD2-CG2 4.35Å; L388-T417 WeakPolarHBondContact CD2-OG1 3.25Å; L388-I420 HydrophobicContact CB-CG2 4.16Å; L388-I420 HydrophobicContact CD1-CD1 3.57Å; L388-C421 PolarHBondContact O-SG 3.32Å
389E88.6Confident94.1Very high5 Ų518.9 Ų18.92%0.02310%0.095CC..SBendtrans-132.7-176.4176.4-59.9-161.2123.500110.4Q189 K246 Y250 K387 R391 V392 I420Q189-E389 PolarHBondContact NE2-OE1 3.34Å; K246-E389 VanDerWaalsContact CE-OE2 3.25Å; K246-E389 WeakPolarHBondContact CE-OE2 3.34Å; K246-E389 IonicContact NZ-OE1 3.43Å; K246-E389 PolarHBondContact NZ-OE1 3.44Å; K246-E389 IonicContact NZ-OE2 3.83Å; K246-E389 PolarHBondContact NZ-OE2 2.98Å; Y250-E389 PolarHBondContact OH-OE2 3.33Å; K387-E389 WeakPolarHBondContact CE-O 3.36Å; K387-E389 WeakPolarHBondContact CG-O 3.43Å; E389-R391 PolarHBondContact O-N 2.89Å; E389-R391 VanDerWaalsContact O-N 3.11Å; E389-V392 HydrophobicContact CB-CB 4.19Å; E389-V392 HydrophobicContact CB-CG2 4.46Å; E389-V392 PolarHBondContact N-O 3.34Å; E389-V392 VanDerWaalsContact N-O 3.14Å; E389-I420 HydrophobicContact CG-CG2 3.92Å
390C83.5Confident94.2Very high41 Ų4116.9 Ų16.928%0.2779%0.088SC..SBendtrans-49.3-41.2178.2-1740000112.5I362 K387I362-C390 HydrophobicContact CD1-CB 3.9Å; I362-C390 HydrophobicContact CG1-CB 4.31Å; K387-C390 WeakPolarHBondContact CE-O 3.37Å
391R88.2Confident94.2Very high29 Ų2919.2 Ų19.211%0.10910%0.1CC..SBendtrans-119-5.9-174-58.6173.9-176.1-72.7-10114.3D194 F296 D297 C300 Q301 E389D194-R391 IonicContact OD1-CZ 3.78Å; D194-R391 IonicContact OD1-NE 3.64Å; D194-R391 PolarHBondContact OD1-NE 2.88Å; D194-R391 IonicContact OD1-NH2 2.66Å; F296-R391 CarbonylContact C-O 3.55Å; F296-R391 VanDerWaalsContact CA-O 3.27Å; F296-R391 WeakPolarHBondContact CA-O 3.42Å; F296-R391 HydrophobicContact CD2-CB 3.78Å; F296-R391 HydrophobicContact CE2-CB 3.5Å; F296-R391 VanDerWaalsContact CE2-CD 3.42Å; F296-R391 HydrophobicContact CE2-CG 4.16Å; F296-R391 HydrophobicContact CZ-CB 4.17Å; F296-R391 VanDerWaalsContact CZ-CD 3.41Å; F296-R391 HydrophobicContact CZ-CG 4.44Å; D297-R391 PolarHBondContact N-O 3.4Å; D297-R391 PolarHBondContact O-NH1 3.02Å; C300-R391 VanDerWaalsContact C-CZ 3.42Å; C300-R391 VanDerWaalsContact CA-NH1 3.28Å; C300-R391 PolarHBondContact O-NH1 3.27Å; C300-R391 PolarHBondContact O-NH2 3.24Å; Q301-R391 VanDerWaalsContact CA-NH2 3.33Å; E389-R391 PolarHBondContact O-N 2.89Å; E389-R391 VanDerWaalsContact O-N 3.11Å
392V92.7Very high94.1Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-110.4126.5-171.7-177.30000109.8Y250 L294 L295 F296 L388 E389Y250-V392 HydrophobicContact CE1-CG1 4.2Å; Y250-V392 HydrophobicContact CE2-CG2 3.8Å; Y250-V392 WeakPolarHBondContact OH-CG1 3.36Å; Y250-V392 WeakPolarHBondContact OH-CG2 3.35Å; L294-V392 HydrophobicContact CD2-CG1 4.47Å; L295-V392 WeakPolarHBondContact O-CA 3.46Å; F296-V392 HydrophobicContact CD2-CG2 4.02Å; L388-V392 HydrophobicContact CD1-CG1 4.28Å; L388-V392 PolarHBondContact N-O 3.38Å; E389-V392 HydrophobicContact CB-CB 4.19Å; E389-V392 HydrophobicContact CB-CG2 4.46Å; E389-V392 PolarHBondContact N-O 3.34Å; E389-V392 VanDerWaalsContact N-O 3.14Å
393F93.9Very high93.9Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-118.7141.4-179.8-57.5-90.9000109.8L294 L295 D297 I350 L354 H355 K386 K387L294-F393 CarbonylContact C-O 3.07Å; L294-F393 VanDerWaalsContact CA-O 3.29Å; L294-F393 WeakPolarHBondContact CA-O 3.17Å; L295-F393 PolarHBondContact N-O 2.82Å; L295-F393 PolarHBondContact O-N 3Å; D297-F393 HydrophobicContact CB-CE2 3.79Å; I350-F393 HydrophobicContact CD1-CB 3.9Å; I350-F393 HydrophobicContact CD1-CD1 4.15Å; I350-F393 HydrophobicContact CD1-CD2 4.15Å; I350-F393 HydrophobicContact CD1-CG 3.8Å; I350-F393 HydrophobicContact CG1-CD1 4.05Å; I350-F393 HydrophobicContact CG1-CE1 4.43Å; I350-F393 HydrophobicContact CG1-CG 4.23Å; I350-F393 HydrophobicContact CG2-CD1 4.23Å; I350-F393 HydrophobicContact CG2-CD2 4.42Å; I350-F393 HydrophobicContact CG2-CE1 3.83Å; I350-F393 HydrophobicContact CG2-CE2 4.04Å; I350-F393 HydrophobicContact CG2-CZ 3.71Å; L354-F393 HydrophobicContact CB-CE1 3.91Å; L354-F393 HydrophobicContact CD1-CD1 3.81Å; L354-F393 HydrophobicContact CD1-CE1 3.7Å; L354-F393 HydrophobicContact CG-CE1 4.37Å; H355-F393 AromaticContact NE2-CZ 3.82Å; K386-F393 CarbonylContact O-C 3.51Å; K386-F393 WeakPolarHBondContact O-CA 3.3Å; K387-F393 HydrophobicContact CB-CD1 3.98Å; K387-F393 HydrophobicContact CB-CE1 3.91Å; K387-F393 HydrophobicContact CD-CE1 3.93Å; K387-F393 HydrophobicContact CD-CZ 4.37Å; K387-F393 HydrophobicContact CG-CD1 4.11Å; K387-F393 HydrophobicContact CG-CE1 3.71Å; K387-F393 HydrophobicContact CG-CZ 4.34Å
394L96.4Very high93.6Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-100.3132.2169.6173.867.1000108.6I292 L294 I385 K386 L388 L396 I413 L416I292-L394 HydrophobicContact CG2-CD1 3.84Å; L294-L394 HydrophobicContact CD2-CB 4.24Å; L294-L394 HydrophobicContact CD2-CD1 3.88Å; I385-L394 CarbonylContact C-O 3.57Å; I385-L394 VanDerWaalsContact CA-O 3.28Å; I385-L394 WeakPolarHBondContact CA-O 3.48Å; K386-L394 HydrophobicContact CB-CB 4.34Å; K386-L394 PolarHBondContact N-O 2.93Å; K386-L394 PolarHBondContact O-N 3.44Å; L388-L394 HydrophobicContact CD1-CB 3.69Å; L388-L394 HydrophobicContact CD2-CB 4.29Å; L388-L394 HydrophobicContact CG-CB 3.91Å; L394-L396 HydrophobicContact CD1-CD1 3.67Å; L394-L396 HydrophobicContact CD2-CD1 3.71Å; L394-L396 HydrophobicContact CG-CD1 3.46Å; L394-L396 VanDerWaalsContact CG-CD1 3.46Å; L394-I413 HydrophobicContact CD2-CG1 4.07Å; L394-I413 HydrophobicContact CD2-CG2 4.33Å; L394-L416 HydrophobicContact CD1-CD2 3.81Å; L394-L416 HydrophobicContact CD2-CD2 3.94Å; L394-L416 HydrophobicContact CG-CD2 4.47Å
395A96.7Very high93.4Very high1 Ų136 Ų361%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-125.9129.2170.400000110.2I292 S293 L295 I346 Y384 I385I292-A395 CarbonylContact C-O 3.56Å; I292-A395 WeakPolarHBondContact CA-O 3.37Å; S293-A395 PolarHBondContact N-O 3.38Å; S293-A395 PolarHBondContact O-N 3.49Å; L295-A395 HydrophobicContact CD1-CB 3.66Å; I346-A395 HydrophobicContact CD1-CB 3.7Å; I346-A395 HydrophobicContact CG1-CB 4.11Å; I346-A395 HydrophobicContact CG2-CB 3.97Å; Y384-A395 CarbonylContact O-C 3.56Å; Y384-A395 WeakPolarHBondContact O-CA 3.44Å; I385-A395 HydrophobicContact CG1-CB 4.48Å
396L97.7Very high93.4Very high1 Ų138.2 Ų38.21%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-113.3129.6169-71.965.6000108.1F283 I292 Y383 Y384 L394 Y398 I409 F412 I413F283-L396 HydrophobicContact CE1-CD2 3.92Å; I292-L396 HydrophobicContact CD1-CD2 4.48Å; I292-L396 HydrophobicContact CD1-CG 4.26Å; I292-L396 HydrophobicContact CG1-CG 4.09Å; I292-L396 HydrophobicContact CG2-CD1 4.11Å; I292-L396 HydrophobicContact CG2-CG 4.13Å; Y383-L396 CarbonylContact C-O 3.59Å; Y383-L396 VanDerWaalsContact CA-O 3.31Å; Y383-L396 WeakPolarHBondContact CA-O 3.4Å; Y384-L396 PolarHBondContact N-O 3.04Å; Y384-L396 PolarHBondContact O-N 3.3Å; L394-L396 HydrophobicContact CD1-CD1 3.67Å; L394-L396 HydrophobicContact CD2-CD1 3.71Å; L394-L396 HydrophobicContact CG-CD1 3.46Å; L394-L396 VanDerWaalsContact CG-CD1 3.46Å; L396-Y398 HydrophobicContact CB-CD2 4.48Å; L396-Y398 HydrophobicContact CB-CE2 3.85Å; L396-Y398 HydrophobicContact CD2-CE2 4.13Å; L396-I409 HydrophobicContact CD2-CG2 3.97Å; L396-F412 HydrophobicContact CD2-CD1 4.13Å; L396-F412 HydrophobicContact CD2-CE1 4.29Å; L396-I413 HydrophobicContact CD1-CG1 4.32Å; L396-I413 HydrophobicContact CD2-CD1 4.47Å; L396-I413 HydrophobicContact CD2-CG1 4.34Å
397V97.6Very high93.4Very high1 Ų144.8 Ų44.81%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-116130.8178.8-170.60000108.9A289 L290 N291 L338 I346 H381 T382 Y383A289-V397 CarbonylContact C-O 3.52Å; L290-V397 HydrophobicContact CB-CG1 4.46Å; L290-V397 WeakPolarHBondContact CB-O 3.38Å; L290-V397 HydrophobicContact CD1-CG1 4.37Å; L290-V397 PolarHBondContact N-O 2.96Å; N291-V397 HydrophobicContact CB-CB 4.38Å; N291-V397 PolarHBondContact N-O 3.22Å; N291-V397 PolarHBondContact O-N 2.92Å; L338-V397 HydrophobicContact CD2-CG2 3.86Å; I346-V397 HydrophobicContact CD1-CG2 4.11Å; H381-V397 HydrophobicContact CB-CG1 4.45Å; T382-V397 WeakPolarHBondContact O-CA 3.25Å; Y383-V397 HydrophobicContact CD1-CG1 4.26Å; Y383-V397 HydrophobicContact CD1-CG2 3.92Å; Y383-V397 HydrophobicContact CE1-CG1 3.95Å; Y383-V397 HydrophobicContact CE1-CG2 4.07Å
398Y97.4Very high93.6Very high1 Ų149.9 Ų49.90%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-127.8146.6177.1-68.9-89.3000110.6F283 S287 A289 H381 T382 Y384 L396 K402 I409F283-Y398 WeakPolarHBondContact CE1-OH 3.41Å; S287-Y398 WeakPolarHBondContact CB-OH 3.34Å; S287-Y398 WeakPolarHBondContact O-CE1 3.46Å; S287-Y398 PolarHBondContact OG-OH 2.96Å; A289-Y398 HydrophobicContact CB-CD1 4.06Å; A289-Y398 HydrophobicContact CB-CE1 3.53Å; A289-Y398 HydrophobicContact CB-CE2 4.37Å; H381-Y398 CarbonylContact C-O 3.52Å; H381-Y398 VanDerWaalsContact CA-O 3.27Å; H381-Y398 WeakPolarHBondContact CA-O 3.15Å; T382-Y398 PolarHBondContact N-O 3.44Å; T382-Y398 PolarHBondContact O-N 3.45Å; Y384-Y398 HydrophobicContact CD2-CD2 4.17Å; Y384-Y398 HydrophobicContact CD2-CE2 4.12Å; Y384-Y398 HydrophobicContact CE2-CD2 4.07Å; Y384-Y398 HydrophobicContact CE2-CE2 4.15Å; L396-Y398 HydrophobicContact CB-CD2 4.48Å; L396-Y398 HydrophobicContact CB-CE2 3.85Å; L396-Y398 HydrophobicContact CD2-CE2 4.13Å; Y398-K402 HydrophobicContact CD1-CD 4.44Å; Y398-K402 HydrophobicContact CD1-CG 4.29Å; Y398-K402 HydrophobicContact CD2-CG 4.27Å; Y398-K402 HydrophobicContact CG-CD 4.47Å; Y398-K402 HydrophobicContact CG-CG 3.83Å; Y398-I409 HydrophobicContact CD2-CD1 4.35Å; Y398-I409 HydrophobicContact CE1-CD1 4.39Å; Y398-I409 HydrophobicContact CE2-CD1 3.67Å; Y398-I409 HydrophobicContact CE2-CG1 4.32Å
399E95.9Very high93.9Very high127 Ų12750.1 Ų50.159%0.59325%0.251SS*.EExtended strand (participates in β ladder)trans-76138.8166.5-159.3175.9174.600110.1L290L290-E399 HydrophobicContact CD1-CB 3.79Å; L290-E399 HydrophobicContact CD1-CG 4.49Å; L290-E399 HydrophobicContact CD2-CB 4.11Å; L290-E399 HydrophobicContact CG-CB 3.99Å
400G95.4Very high94.2Very high16 Ų1651.7 Ų51.717%0.16526%0.26CS..SBendtrans75.1-179-177.700000114.1N380 T382N380-G400 WeakPolarHBondContact O-CA 3.19Å; N380-G400 PolarHBondContact O-N 3.06Å; T382-G400 PolarHBondContact OG1-O 3.4Å
401L94.9Very high94.7Very high117 Ų11754.7 Ų54.761%0.61327%0.269SS*.  trans-77.6120.1176.6-178.366.8000110.8Y373 Y375 T382Y373-L401 VanDerWaalsContact OH-CD1 3.26Å; Y373-L401 WeakPolarHBondContact OH-CD1 3.29Å; Y375-L401 HydrophobicContact CD1-CD1 3.64Å; Y375-L401 HydrophobicContact CD2-CB 4.36Å; Y375-L401 HydrophobicContact CD2-CD1 3.86Å; Y375-L401 HydrophobicContact CE1-CB 4.43Å; Y375-L401 HydrophobicContact CE1-CD1 4.03Å; Y375-L401 HydrophobicContact CE2-CB 4.01Å; Y375-L401 HydrophobicContact CE2-CD1 4.27Å; Y375-L401 HydrophobicContact CG-CD1 3.53Å; T382-L401 WeakPolarHBondContact OG1-CA 3.46Å
402K95.6Very high95.1Very high64 Ų6454 Ų5428%0.27827%0.267SS..  trans-105.1156.2170.2-62.6-67.4-174.7171.10111.1Y373 T382 Y384 Y398Y373-K402 WeakPolarHBondContact CE2-O 3.48Å; Y373-K402 PolarHBondContact OH-O 3.06Å; T382-K402 HydrophobicContact CG2-CB 3.96Å; T382-K402 PolarHBondContact OG1-N 2.88Å; Y384-K402 HydrophobicContact CE2-CB 4.22Å; Y384-K402 WeakPolarHBondContact OH-CB 3.43Å; Y398-K402 HydrophobicContact CD1-CD 4.44Å; Y398-K402 HydrophobicContact CD1-CG 4.29Å; Y398-K402 HydrophobicContact CD2-CG 4.27Å; Y398-K402 HydrophobicContact CG-CD 4.47Å; Y398-K402 HydrophobicContact CG-CG 3.83Å
403S92.6Very high95.3Very high66 Ų6654.2 Ų54.246%0.46227%0.268SS..  trans-77.9129.5178.8178.20000111.4Y384 K405 D406Y384-S403 VanDerWaalsContact OH-C 3.25Å; Y384-S403 PolarHBondContact OH-O 3.13Å; S403-K405 PolarHBondContact O-N 3.41Å; S403-K405 PolarHBondContact OG-N 2.91Å; S403-D406 VanDerWaalsContact O-CB 3.25Å; S403-D406 WeakPolarHBondContact O-CB 3.49Å; S403-D406 PolarHBondContact O-N 2.96Å
404H91.6Very high95.3Very high106 Ų10657.1 Ų57.149%0.49129%0.289SS..THydrogen-bonded Turntrans-56.8-24.6172.581-83.2000113.3Y373 N410Y373-H404 HydrophobicContact CD1-CB 4.02Å; Y373-H404 HydrophobicContact CD2-CB 3.59Å; Y373-H404 HydrophobicContact CE1-CB 4.38Å; Y373-H404 HydrophobicContact CE2-CB 3.93Å; Y373-H404 HydrophobicContact CG-CB 3.62Å; H404-N410 PolarHBondContact O-ND2 3.07Å; H404-N410 VanDerWaalsContact O-ND2 3.08Å
405K92Very high95.1Very high155 Ų15559.5 Ų59.567%0.67430%0.301SS*.THydrogen-bonded Turntrans-97.318.1176.1-55-171.4179.3177.90113.3S403 K407S403-K405 PolarHBondContact O-N 3.41Å; S403-K405 PolarHBondContact OG-N 2.91Å; K405-K407 PolarHBondContact O-N 3.44Å
406D94.4Very high95Very high48 Ų4859.5 Ų59.526%0.25730%0.3SS..  trans-57.9116.8176.2-170.3-57.7000109.6S403 L408 I409 N410S403-D406 VanDerWaalsContact O-CB 3.25Å; S403-D406 WeakPolarHBondContact O-CB 3.49Å; S403-D406 PolarHBondContact O-N 2.96Å; D406-L408 PolarHBondContact OD1-N 3.21Å; D406-I409 HydrophobicContact CB-CB 4.1Å; D406-I409 HydrophobicContact CB-CD1 3.84Å; D406-I409 HydrophobicContact CB-CG1 4.02Å; D406-I409 PolarHBondContact OD1-N 2.64Å; D406-I409 VanDerWaalsContact OD1-N 3.16Å; D406-N410 WeakPolarHBondContact O-CB 3.45Å; D406-N410 PolarHBondContact O-N 2.88Å; D406-N410 PolarHBondContact O-ND2 3.26Å
407K94.4Very high94.8Very high148 Ų14860 Ų6064%0.64330%0.303SS*.Hα-helixtrans-66.9-42.4-172.1-177.6178.1171.4-1770111.3K405 N410 E411K405-K407 PolarHBondContact O-N 3.44Å; K407-N410 PolarHBondContact O-N 2.8Å; K407-E411 WeakPolarHBondContact CE-OE1 3.24Å; K407-E411 HydrophobicContact CG-CG 4.27Å; K407-E411 IonicContact NZ-OE1 3.41Å; K407-E411 VanDerWaalsContact O-CB 3.31Å; K407-E411 WeakPolarHBondContact O-CB 3.41Å; K407-E411 VanDerWaalsContact O-CG 3.25Å; K407-E411 WeakPolarHBondContact O-CG 3.39Å; K407-E411 PolarHBondContact O-N 2.73Å
408L95.2Very high94.6Very high122 Ų12262.4 Ų62.464%0.63932%0.316SS*.Hα-helixtrans-65.1-42.9-178.2-67.4173.8000110.7D406 F412D406-L408 PolarHBondContact OD1-N 3.21Å; L408-F412 WeakPolarHBondContact O-CB 3.34Å; L408-F412 PolarHBondContact O-N 3.13Å
409I96.5Very high94.4Very high4 Ų462.5 Ų62.52%0.02132%0.317CS..Hα-helixtrans-63.9-48.7177.7-60.7177.8000110.9F283 Y384 L396 Y398 D406 F412 I413F283-I409 HydrophobicContact CZ-CG1 4.36Å; Y384-I409 HydrophobicContact CD1-CG2 3.9Å; Y384-I409 HydrophobicContact CD2-CG2 4.06Å; Y384-I409 HydrophobicContact CE1-CG2 3.92Å; Y384-I409 HydrophobicContact CE2-CD1 3.79Å; Y384-I409 HydrophobicContact CE2-CG2 4.11Å; Y384-I409 HydrophobicContact CG-CG2 3.97Å; L396-I409 HydrophobicContact CD2-CG2 3.97Å; Y398-I409 HydrophobicContact CD2-CD1 4.35Å; Y398-I409 HydrophobicContact CE1-CD1 4.39Å; Y398-I409 HydrophobicContact CE2-CD1 3.67Å; Y398-I409 HydrophobicContact CE2-CG1 4.32Å; D406-I409 HydrophobicContact CB-CB 4.1Å; D406-I409 HydrophobicContact CB-CD1 3.84Å; D406-I409 HydrophobicContact CB-CG1 4.02Å; D406-I409 PolarHBondContact OD1-N 2.64Å; D406-I409 VanDerWaalsContact OD1-N 3.16Å; I409-F412 PolarHBondContact O-N 2.97Å; I409-I413 HydrophobicContact CG2-CD1 3.82Å; I409-I413 HydrophobicContact CG2-CG1 4.48Å; I409-I413 VanDerWaalsContact O-CG1 3.32Å; I409-I413 WeakPolarHBondContact O-CG1 3.45Å; I409-I413 PolarHBondContact O-N 2.95Å
410N94.8Very high94.3Very high39 Ų3956.4 Ų56.421%0.20929%0.289CS..Hα-helixtrans-68.1-37.2-178-74.6-58.7000112.6H404 D406 K407 I413 S414H404-N410 PolarHBondContact O-ND2 3.07Å; H404-N410 VanDerWaalsContact O-ND2 3.08Å; D406-N410 WeakPolarHBondContact O-CB 3.45Å; D406-N410 PolarHBondContact O-N 2.88Å; D406-N410 PolarHBondContact O-ND2 3.26Å; K407-N410 PolarHBondContact O-N 2.8Å; N410-I413 PolarHBondContact O-N 3.49Å; N410-S414 WeakPolarHBondContact O-CB 3.42Å; N410-S414 PolarHBondContact O-N 3.46Å
411E95.2Very high94.1Very high103 Ų10355.7 Ų55.748%0.48128%0.281SS..Hα-helixtrans-63.6-41.4174-76.6177.1169.100111.8K407 S414 M415K407-E411 WeakPolarHBondContact CE-OE1 3.24Å; K407-E411 HydrophobicContact CG-CG 4.27Å; K407-E411 IonicContact NZ-OE1 3.41Å; K407-E411 VanDerWaalsContact O-CB 3.31Å; K407-E411 WeakPolarHBondContact O-CB 3.41Å; K407-E411 VanDerWaalsContact O-CG 3.25Å; K407-E411 WeakPolarHBondContact O-CG 3.39Å; K407-E411 PolarHBondContact O-N 2.73Å; E411-S414 PolarHBondContact O-N 3.16Å; E411-M415 VanDerWaalsContact O-CB 3.27Å; E411-M415 WeakPolarHBondContact O-CB 3.49Å; E411-M415 PolarHBondContact O-N 2.9Å
412F96.4Very high94.1Very high14 Ų1450.1 Ų50.16%0.06125%0.252CS..Hα-helixtrans-63.8-47.4174.9172.6-100000112.3I280 F283 I292 L396 L408 I409 S414 M415 L416I280-F412 HydrophobicContact CB-CZ 4.33Å; I280-F412 HydrophobicContact CG1-CE2 4.4Å; I280-F412 HydrophobicContact CG1-CZ 3.93Å; I280-F412 HydrophobicContact CG2-CZ 4.37Å; F283-F412 HydrophobicContact CB-CD2 3.62Å; F283-F412 HydrophobicContact CB-CE2 3.46Å; F283-F412 VanDerWaalsContact CB-CE2 3.46Å; F283-F412 HydrophobicContact CB-CG 4.34Å; F283-F412 HydrophobicContact CB-CZ 4.07Å; F283-F412 HydrophobicContact CD1-CB 4.23Å; F283-F412 AromaticContact CD1-CD1 3.46Å; F283-F412 HydrophobicContact CD1-CD1 3.46Å; F283-F412 VanDerWaalsContact CD1-CD1 3.46Å; F283-F412 AromaticContact CD1-CD2 3.65Å; F283-F412 HydrophobicContact CD1-CD2 3.65Å; F283-F412 AromaticContact CD1-CE1 3.55Å; F283-F412 HydrophobicContact CD1-CE1 3.55Å; F283-F412 AromaticContact CD1-CE2 3.74Å; F283-F412 HydrophobicContact CD1-CE2 3.74Å; F283-F412 AromaticContact CD1-CG 3.49Å; F283-F412 HydrophobicContact CD1-CG 3.49Å; F283-F412 VanDerWaalsContact CD1-CG 3.49Å; F283-F412 AromaticContact CD1-CZ 3.67Å; F283-F412 HydrophobicContact CD1-CZ 3.67Å; F283-F412 HydrophobicContact CD2-CB 3.73Å; F283-F412 HydrophobicContact CD2-CD1 4.46Å; F283-F412 AromaticContact CD2-CD2 3.63Å; F283-F412 HydrophobicContact CD2-CD2 3.63Å; F283-F412 HydrophobicContact CD2-CE2 4.34Å; F283-F412 AromaticContact CD2-CG 3.68Å; F283-F412 HydrophobicContact CD2-CG 3.68Å; F283-F412 HydrophobicContact CE1-CB 3.99Å; F283-F412 AromaticContact CE1-CD1 3.42Å; F283-F412 HydrophobicContact CE1-CD1 3.42Å; F283-F412 VanDerWaalsContact CE1-CD1 3.42Å; F283-F412 HydrophobicContact CE1-CD2 4.25Å; F283-F412 AromaticContact CE1-CE1 3.87Å; F283-F412 HydrophobicContact CE1-CE1 3.87Å; F283-F412 AromaticContact CE1-CG 3.61Å; F283-F412 HydrophobicContact CE1-CG 3.61Å; F283-F412 HydrophobicContact CE1-CZ 4.43Å; F283-F412 HydrophobicContact CE2-CB 3.44Å; F283-F412 VanDerWaalsContact CE2-CB 3.44Å; F283-F412 HydrophobicContact CE2-CD1 4.42Å; F283-F412 HydrophobicContact CE2-CD2 4.22Å; F283-F412 AromaticContact CE2-CG 3.79Å; F283-F412 HydrophobicContact CE2-CG 3.79Å; F283-F412 HydrophobicContact CG-CB 4.13Å; F283-F412 HydrophobicContact CG-CD1 4.02Å; F283-F412 AromaticContact CG-CD2 3.31Å; F283-F412 HydrophobicContact CG-CD2 3.31Å; F283-F412 HydrophobicContact CG-CE1 4.24Å; F283-F412 AromaticContact CG-CE2 3.57Å; F283-F412 HydrophobicContact CG-CE2 3.57Å; F283-F412 AromaticContact CG-CG 3.54Å; F283-F412 HydrophobicContact CG-CG 3.54Å; F283-F412 HydrophobicContact CG-CZ 4.01Å; F283-F412 HydrophobicContact CZ-CB 3.59Å; F283-F412 AromaticContact CZ-CD1 3.94Å; F283-F412 HydrophobicContact CZ-CD1 3.94Å; F283-F412 AromaticContact CZ-CG 3.77Å; F283-F412 HydrophobicContact CZ-CG 3.77Å; I292-F412 HydrophobicContact CD1-CE1 4.14Å; I292-F412 HydrophobicContact CD1-CZ 4.3Å; L396-F412 HydrophobicContact CD2-CD1 4.13Å; L396-F412 HydrophobicContact CD2-CE1 4.29Å; L408-F412 WeakPolarHBondContact O-CB 3.34Å; L408-F412 PolarHBondContact O-N 3.13Å; I409-F412 PolarHBondContact O-N 2.97Å; F412-S414 VanDerWaalsContact C-N 3.3Å; F412-S414 PolarHBondContact O-N 3.36Å; F412-M415 HydrophobicContact CD2-CE 3.93Å; F412-M415 HydrophobicContact CE2-CE 4.06Å; F412-M415 PolarHBondContact O-N 3.21Å; F412-L416 HydrophobicContact CE1-CD2 4.41Å; F412-L416 HydrophobicContact CZ-CD2 4.32Å; F412-L416 WeakPolarHBondContact O-CB 3.5Å; F412-L416 PolarHBondContact O-N 2.88Å
413I96.1Very high93.9Very high5 Ų548.1 Ų48.13%0.02624%0.243CC..Hα-helixtrans-58.4-44.7176.8-68.9169.8000110.2P371 Y384 K386 L394 L396 I409 N410 L416 T417P371-I413 HydrophobicContact CB-CD1 4Å; P371-I413 HydrophobicContact CB-CG2 4.43Å; P371-I413 HydrophobicContact CG-CD1 3.96Å; P371-I413 HydrophobicContact CG-CG2 4.4Å; Y384-I413 HydrophobicContact CD1-CD1 4.27Å; Y384-I413 HydrophobicContact CG-CD1 4.34Å; K386-I413 HydrophobicContact CB-CG2 4.17Å; K386-I413 HydrophobicContact CG-CG2 3.98Å; L394-I413 HydrophobicContact CD2-CG1 4.07Å; L394-I413 HydrophobicContact CD2-CG2 4.33Å; L396-I413 HydrophobicContact CD1-CG1 4.32Å; L396-I413 HydrophobicContact CD2-CD1 4.47Å; L396-I413 HydrophobicContact CD2-CG1 4.34Å; I409-I413 HydrophobicContact CG2-CD1 3.82Å; I409-I413 HydrophobicContact CG2-CG1 4.48Å; I409-I413 VanDerWaalsContact O-CG1 3.32Å; I409-I413 WeakPolarHBondContact O-CG1 3.45Å; I409-I413 PolarHBondContact O-N 2.95Å; N410-I413 PolarHBondContact O-N 3.49Å; I413-L416 PolarHBondContact O-N 3.26Å; I413-T417 VanDerWaalsContact O-CB 3.27Å; I413-T417 WeakPolarHBondContact O-CB 3.21Å; I413-T417 PolarHBondContact O-N 3.11Å; I413-T417 PolarHBondContact O-OG1 3.15Å
414S93.9Very high93.7Very high61 Ų6148.5 Ų48.543%0.42724%0.237SC..Hα-helixtrans-62.9-46176.9-167.30000111.7N410 E411 F412 L416 T417 D418N410-S414 WeakPolarHBondContact O-CB 3.42Å; N410-S414 PolarHBondContact O-N 3.46Å; E411-S414 PolarHBondContact O-N 3.16Å; F412-S414 VanDerWaalsContact C-N 3.3Å; F412-S414 PolarHBondContact O-N 3.36Å; S414-L416 VanDerWaalsContact C-N 3.34Å; S414-L416 PolarHBondContact O-N 3.18Å; S414-T417 PolarHBondContact O-N 2.91Å; S414-D418 WeakPolarHBondContact O-CB 3.32Å; S414-D418 PolarHBondContact O-N 3.29Å
415M93.7Very high93.7Very high51 Ų5143.5 Ų43.525%0.25121%0.213SC..Hα-helixtrans-58.5-45.9179.3-178.3-72.7-67.300111.7E411 F412 T419 K424E411-M415 VanDerWaalsContact O-CB 3.27Å; E411-M415 WeakPolarHBondContact O-CB 3.49Å; E411-M415 PolarHBondContact O-N 2.9Å; F412-M415 HydrophobicContact CD2-CE 3.93Å; F412-M415 HydrophobicContact CE2-CE 4.06Å; F412-M415 PolarHBondContact O-N 3.21Å; M415-T419 PolarHBondContact O-N 2.8Å; M415-T419 PolarHBondContact O-OG1 2.88Å; M415-K424 PolarHBondContact O-NZ 3.34Å
416L94.6Very high93.7Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-69-43.4179.6-17162.2000110.9L276 I280 L394 F412 I413 S414 D418 T419 I420L276-L416 HydrophobicContact CD2-CD1 3.77Å; I280-L416 HydrophobicContact CD1-CD1 4.16Å; I280-L416 HydrophobicContact CD1-CD2 4.27Å; I280-L416 HydrophobicContact CG1-CD1 4.32Å; I280-L416 HydrophobicContact CG1-CD2 4.33Å; L394-L416 HydrophobicContact CD1-CD2 3.81Å; L394-L416 HydrophobicContact CD2-CD2 3.94Å; L394-L416 HydrophobicContact CG-CD2 4.47Å; F412-L416 HydrophobicContact CE1-CD2 4.41Å; F412-L416 HydrophobicContact CZ-CD2 4.32Å; F412-L416 WeakPolarHBondContact O-CB 3.5Å; F412-L416 PolarHBondContact O-N 2.88Å; I413-L416 PolarHBondContact O-N 3.26Å; S414-L416 VanDerWaalsContact C-N 3.34Å; S414-L416 PolarHBondContact O-N 3.18Å; L416-D418 PolarHBondContact O-N 3.32Å; L416-T419 PolarHBondContact O-N 3.48Å; L416-I420 HydrophobicContact CD1-CD1 3.79Å; L416-I420 HydrophobicContact CD1-CG1 4.23Å; L416-I420 HydrophobicContact CD2-CD1 4.36Å; L416-I420 HydrophobicContact CG-CD1 3.75Å; L416-I420 HydrophobicContact CG-CG1 4.42Å; L416-I420 WeakPolarHBondContact O-CB 3.49Å; L416-I420 WeakPolarHBondContact O-CG1 3.46Å; L416-I420 PolarHBondContact O-N 2.97Å
417T93.7Very high93.5Very high11 Ų1137.4 Ų37.47%0.06719%0.188CC..Hα-helixtrans-56.6-51.3174.7-57.30000111L388 I413 S414 T419 I420 C421L388-T417 HydrophobicContact CD2-CG2 4.35Å; L388-T417 WeakPolarHBondContact CD2-OG1 3.25Å; I413-T417 VanDerWaalsContact O-CB 3.27Å; I413-T417 WeakPolarHBondContact O-CB 3.21Å; I413-T417 PolarHBondContact O-N 3.11Å; I413-T417 PolarHBondContact O-OG1 3.15Å; S414-T417 PolarHBondContact O-N 2.91Å; T417-T419 PolarHBondContact O-N 2.93Å; T417-I420 PolarHBondContact O-N 3.2Å; T417-C421 WeakPolarHBondContact O-CB 3.12Å; T417-C421 PolarHBondContact O-N 3.16Å; T417-C421 PolarHBondContact O-SG 3.43Å
418D92.2Very high93.3Very high52 Ų5231.3 Ų31.328%0.27816%0.163SC..Hα-helixtrans-64.6-25.4-178.3-72.4-30.8000113.6S414 L416 H423 K424S414-D418 WeakPolarHBondContact O-CB 3.32Å; S414-D418 PolarHBondContact O-N 3.29Å; L416-D418 PolarHBondContact O-N 3.32Å; D418-H423 HydrophobicContact CB-CB 4.2Å; D418-H423 PolarHBondContact O-N 3.48Å; D418-H423 IonicContact OD1-CG 3.13Å; D418-H423 IonicContact OD1-ND1 3.23Å; D418-H423 PolarHBondContact OD1-ND1 3.43Å; D418-H423 VanDerWaalsContact OD1-ND1 3.11Å; D418-K424 HydrophobicContact CB-CG 3.98Å; D418-K424 PolarHBondContact O-N 3.31Å; D418-K424 VanDerWaalsContact O-N 3.07Å
419T92.7Very high93Very high3 Ų325.6 Ų25.62%0.01813%0.133CC..Hα-helixtrans-81.7-47.3177.5-46.70000110.9L276 M415 L416 T417 L422 K424L276-T419 HydrophobicContact CD1-CG2 4.25Å; L276-T419 HydrophobicContact CD2-CG2 3.93Å; L276-T419 HydrophobicContact CG-CG2 4.44Å; M415-T419 PolarHBondContact O-N 2.8Å; M415-T419 PolarHBondContact O-OG1 2.88Å; L416-T419 PolarHBondContact O-N 3.48Å; T417-T419 PolarHBondContact O-N 2.93Å; T419-L422 PolarHBondContact O-N 3.33Å; T419-K424 WeakPolarHBondContact OG1-CE 3.49Å; T419-K424 PolarHBondContact OG1-NZ 3.43Å
420I93.6Very high92.3Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-69.5-41.4-179.4-69.1177.8000111.4K246 L249 Y250 L276 L388 E389 L416 T417 L422K246-I420 HydrophobicContact CD-CG2 4.45Å; L249-I420 HydrophobicContact CD2-CD1 4.16Å; Y250-I420 WeakPolarHBondContact OH-CG2 3.41Å; L276-I420 HydrophobicContact CD1-CG1 4.49Å; L388-I420 HydrophobicContact CB-CG2 4.16Å; L388-I420 HydrophobicContact CD1-CD1 3.57Å; E389-I420 HydrophobicContact CG-CG2 3.92Å; L416-I420 HydrophobicContact CD1-CD1 3.79Å; L416-I420 HydrophobicContact CD1-CG1 4.23Å; L416-I420 HydrophobicContact CD2-CD1 4.36Å; L416-I420 HydrophobicContact CG-CD1 3.75Å; L416-I420 HydrophobicContact CG-CG1 4.42Å; L416-I420 WeakPolarHBondContact O-CB 3.49Å; L416-I420 WeakPolarHBondContact O-CG1 3.46Å; L416-I420 PolarHBondContact O-N 2.97Å; T417-I420 PolarHBondContact O-N 3.2Å; I420-L422 PolarHBondContact O-N 3.32Å
421C92.7Very high91.1Very high0 Ų032.3 Ų32.30%016%0.161CC..THydrogen-bonded Turntrans-76.23.5175.1-58.60000113.3I140 L388 T417 H423I140-C421 HydrophobicContact CD1-CB 4.03Å; L388-C421 PolarHBondContact O-SG 3.32Å; T417-C421 WeakPolarHBondContact O-CB 3.12Å; T417-C421 PolarHBondContact O-N 3.16Å; T417-C421 PolarHBondContact O-SG 3.43Å; C421-H423 PolarHBondContact O-CD2 2.95Å; C421-H423 PolarHBondContact O-N 3.12Å
422L93.8Very high89.4Confident0 Ų033 Ų330%016%0.164CC..SBendtrans60.515.5177.9-55.1171.2000114.6I139 I140 Q189 F239 H242 L243 T419 I420 K424 V425 V426I139-L422 HydrophobicContact CD1-CD1 4.36Å; I139-L422 HydrophobicContact CG1-CD1 4.42Å; I139-L422 HydrophobicContact CG2-CB 3.83Å; I139-L422 HydrophobicContact CG2-CD1 3.95Å; I140-L422 HydrophobicContact CG2-CD1 4.13Å; I140-L422 HydrophobicContact CG2-CG 4.48Å; Q189-L422 HydrophobicContact CG-CD1 4.1Å; F239-L422 HydrophobicContact CE2-CD1 3.73Å; F239-L422 HydrophobicContact CE2-CD2 4.43Å; F239-L422 HydrophobicContact CZ-CD1 4.44Å; H242-L422 HydrophobicContact CB-CD2 3.73Å; L243-L422 HydrophobicContact CD2-CD1 3.95Å; L243-L422 HydrophobicContact CD2-CD2 4.11Å; T419-L422 PolarHBondContact O-N 3.33Å; I420-L422 PolarHBondContact O-N 3.32Å; L422-K424 VanDerWaalsContact C-N 3.29Å; L422-K424 PolarHBondContact O-N 2.88Å; L422-V425 HydrophobicContact CB-CG1 3.74Å; L422-V425 HydrophobicContact CD2-CG1 4.14Å; L422-V425 WeakPolarHBondContact O-CG1 3.41Å; L422-V425 PolarHBondContact O-N 3.42Å; L422-V426 WeakPolarHBondContact O-CG2 3.49Å; L422-V426 PolarHBondContact O-N 3.06Å
423H91.3Very high87.3Confident23 Ų2339.8 Ų39.811%0.10619%0.189CC..Hα-helixtrans-59.1-41.5176.7-67.6169.7000111.8L137 D418 C421 V425 V426 N427L137-H423 WeakPolarHBondContact CD2-NE2 3.48Å; D418-H423 HydrophobicContact CB-CB 4.2Å; D418-H423 PolarHBondContact O-N 3.48Å; D418-H423 IonicContact OD1-CG 3.13Å; D418-H423 IonicContact OD1-ND1 3.23Å; D418-H423 PolarHBondContact OD1-ND1 3.43Å; D418-H423 VanDerWaalsContact OD1-ND1 3.11Å; C421-H423 PolarHBondContact O-CD2 2.95Å; C421-H423 PolarHBondContact O-N 3.12Å; H423-V425 VanDerWaalsContact C-N 3.35Å; H423-V425 PolarHBondContact O-N 3.24Å; H423-V426 PolarHBondContact O-N 3.1Å; H423-N427 WeakPolarHBondContact O-CB 3.49Å; H423-N427 PolarHBondContact O-N 3.14Å; H423-N427 PolarHBondContact O-ND2 3.43Å
424K89Confident85Confident74 Ų7447.9 Ų47.932%0.32223%0.227SC..Hα-helixtrans-56.3-49.2177.8-73.8-175.4-176.7166.50111.4M415 D418 T419 L422 N427 L428M415-K424 PolarHBondContact O-NZ 3.34Å; D418-K424 HydrophobicContact CB-CG 3.98Å; D418-K424 PolarHBondContact O-N 3.31Å; D418-K424 VanDerWaalsContact O-N 3.07Å; T419-K424 WeakPolarHBondContact OG1-CE 3.49Å; T419-K424 PolarHBondContact OG1-NZ 3.43Å; L422-K424 VanDerWaalsContact C-N 3.29Å; L422-K424 PolarHBondContact O-N 2.88Å; K424-N427 PolarHBondContact O-N 3.26Å; K424-L428 WeakPolarHBondContact O-CG 3.33Å; K424-L428 PolarHBondContact O-N 2.88Å
425V91.9Very high82.9Confident0 Ų050.3 Ų50.30%023%0.232CC..Hα-helixtrans-70-39-179.662.40000112.3W235 R238 F239 L422 H423 N427 L428W235-V425 HydrophobicContact CZ2-CG2 4.33Å; W235-V425 PolarHBondContact NE1-O 3.38Å; R238-V425 HydrophobicContact CB-CG2 4.36Å; F239-V425 HydrophobicContact CB-CG2 3.79Å; F239-V425 HydrophobicContact CD2-CG1 4.2Å; F239-V425 HydrophobicContact CG-CG2 4.38Å; L422-V425 HydrophobicContact CB-CG1 3.74Å; L422-V425 HydrophobicContact CD2-CG1 4.14Å; L422-V425 WeakPolarHBondContact O-CG1 3.41Å; L422-V425 PolarHBondContact O-N 3.42Å; H423-V425 VanDerWaalsContact C-N 3.35Å; H423-V425 PolarHBondContact O-N 3.24Å; V425-N427 VanDerWaalsContact C-N 3.29Å; V425-N427 PolarHBondContact O-N 3.35Å; V425-L428 WeakPolarHBondContact O-CB 3.28Å; V425-L428 PolarHBondContact O-N 3.39Å; V425-L428 VanDerWaalsContact O-N 3.14Å
426V92.7Very high81Confident0 Ų048.8 Ų48.80%022%0.224CC..Hα-helixtrans-61.4-41175.51730000111.2I132 P136 I139 L422 H423 L428 L429I132-V426 HydrophobicContact CG2-CB 4.45Å; I132-V426 HydrophobicContact CG2-CG1 3.9Å; I132-V426 HydrophobicContact CG2-CG2 3.72Å; I132-V426 WeakPolarHBondContact O-CG1 3.26Å; P136-V426 HydrophobicContact CB-CB 4.06Å; P136-V426 HydrophobicContact CB-CG1 3.77Å; P136-V426 HydrophobicContact CB-CG2 4.31Å; P136-V426 HydrophobicContact CG-CG1 3.83Å; I139-V426 HydrophobicContact CD1-CG2 3.99Å; I139-V426 HydrophobicContact CG2-CG2 4.15Å; L422-V426 WeakPolarHBondContact O-CG2 3.49Å; L422-V426 PolarHBondContact O-N 3.06Å; H423-V426 PolarHBondContact O-N 3.1Å; V426-L428 PolarHBondContact O-N 3.47Å; V426-L429 VanDerWaalsContact O-CB 3.27Å; V426-L429 WeakPolarHBondContact O-CB 3.45Å; V426-L429 PolarHBondContact O-N 3.35Å
427N89.3Confident78.4Confident76 Ų7653.9 Ų53.941%0.40626%0.259SS..Hα-helixtrans-62.5-29.5177.9-74.5-27.4000112.7H423 K424 V425 L429 K430 Q431H423-N427 WeakPolarHBondContact O-CB 3.49Å; H423-N427 PolarHBondContact O-N 3.14Å; H423-N427 PolarHBondContact O-ND2 3.43Å; K424-N427 PolarHBondContact O-N 3.26Å; V425-N427 VanDerWaalsContact C-N 3.29Å; V425-N427 PolarHBondContact O-N 3.35Å; N427-L429 PolarHBondContact O-N 3.39Å; N427-K430 PolarHBondContact O-N 2.85Å; N427-Q431 WeakPolarHBondContact O-CG 3.45Å
428L90.1Very high75.8Confident20 Ų2056.4 Ų56.411%0.10528%0.278CS..Hα-helixtrans-65-20.5174.5-65.6175.4000113.3R238 K424 V425 V426 K430 Q431 F436R238-L428 HydrophobicContact CB-CD1 4.19Å; R238-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 WeakPolarHBondContact O-CG 3.33Å; K424-L428 PolarHBondContact O-N 2.88Å; V425-L428 WeakPolarHBondContact O-CB 3.28Å; V425-L428 PolarHBondContact O-N 3.39Å; V425-L428 VanDerWaalsContact O-N 3.14Å; V426-L428 PolarHBondContact O-N 3.47Å; L428-K430 VanDerWaalsContact C-N 3.27Å; L428-K430 PolarHBondContact O-N 3.26Å; L428-Q431 PolarHBondContact O-N 3.02Å; L428-F436 HydrophobicContact CB-CZ 4.39Å
429L89.5Confident73.1Confident2 Ų258.1 Ų58.11%0.0129%0.294CS..THydrogen-bonded Turntrans-60.3-38.2174.2-75.3172.1000111.9L69 F72 Y129 I132 A133 W235 V426 N427L69-L429 HydrophobicContact CD1-CD2 4.43Å; L69-L429 HydrophobicContact CD2-CD2 4.35Å; F72-L429 HydrophobicContact CE2-CB 3.99Å; F72-L429 WeakPolarHBondContact CE2-O 2.97Å; F72-L429 HydrophobicContact CZ-CB 3.77Å; Y129-L429 HydrophobicContact CD1-CD1 4.27Å; Y129-L429 HydrophobicContact CD1-CD2 4.02Å; Y129-L429 HydrophobicContact CE1-CD2 4.41Å; I132-L429 HydrophobicContact CG2-CD1 4.36Å; A133-L429 HydrophobicContact CB-CD1 4.35Å; W235-L429 HydrophobicContact CD2-CD2 3.41Å; W235-L429 VanDerWaalsContact CD2-CD2 3.41Å; W235-L429 HydrophobicContact CD2-CG 4.1Å; W235-L429 VanDerWaalsContact CE2-CG 3.44Å; W235-L429 HydrophobicContact CE3-CD2 3.91Å; W235-L429 HydrophobicContact CG-CD2 3.79Å; W235-L429 HydrophobicContact CG-CG 4.41Å; W235-L429 HydrophobicContact CH2-CD1 4.41Å; W235-L429 HydrophobicContact CH2-CD2 4.15Å; W235-L429 HydrophobicContact CZ2-CD1 3.79Å; W235-L429 HydrophobicContact CZ2-CD2 3.69Å; W235-L429 HydrophobicContact CZ2-CG 3.69Å; W235-L429 HydrophobicContact CZ3-CD2 4.24Å; V426-L429 VanDerWaalsContact O-CB 3.27Å; V426-L429 WeakPolarHBondContact O-CB 3.45Å; V426-L429 PolarHBondContact O-N 3.35Å; N427-L429 PolarHBondContact O-N 3.39Å
430K81.2Confident70.5Confident104 Ų10460.8 Ų60.845%0.45231%0.311SS..THydrogen-bonded Turntrans-88.7-14-176.1-61.4-173.4-170.4175.70113.2F72 A133 N427 L428 H432F72-K430 HydrophobicContact CD1-CG 4.3Å; F72-K430 HydrophobicContact CE1-CG 4.43Å; F72-K430 HydrophobicContact CG-CG 4.41Å; A133-K430 HydrophobicContact CB-CD 4.42Å; A133-K430 HydrophobicContact CB-CG 4.2Å; A133-K430 WeakPolarHBondContact O-CE 3.49Å; A133-K430 PolarHBondContact O-NZ 3.03Å; N427-K430 PolarHBondContact O-N 2.85Å; L428-K430 VanDerWaalsContact C-N 3.27Å; L428-K430 PolarHBondContact O-N 3.26Å; K430-H432 PolarHBondContact O-N 3.41Å
431Q69.8Low67.5Low80 Ų8065.7 Ų65.737%0.37435%0.345SS..SBendtrans-82.6109.1-173.7-71.2-179.313.400110.4N427 L428 R433 Q435N427-Q431 WeakPolarHBondContact O-CG 3.45Å; L428-Q431 PolarHBondContact O-N 3.02Å; Q431-R433 PolarHBondContact O-N 3.37Å; Q431-Q435 VanDerWaalsContact OE1-CD 3.28Å; Q431-Q435 VanDerWaalsContact OE1-OE1 3.08Å
432H60Low64.9Low117 Ų11769 Ų6954%0.54237%0.365SS..  trans-60128.4178.3-74.1-73.5000112.2D70 K430 Q434D70-H432 IonicContact OD1-CE1 2.84Å; D70-H432 IonicContact OD1-ND1 3.67Å; D70-H432 PolarHBondContact OD1-ND1 2.86Å; K430-H432 PolarHBondContact O-N 3.41Å; H432-Q434 PolarHBondContact O-N 3.38Å
433R52.2Low62.1Low156 Ų15677.4 Ų77.459%0.58941%0.41SS*.SBendtrans36.4-18.1158.8-66.1-171.9-171.1-175.73.3122.2D70 Q431D70-R433 IonicContact OD2-CZ 3.79Å; D70-R433 IonicContact OD2-NE 2.58Å; D70-R433 IonicContact OD2-NH2 3.85Å; D70-R433 PolarHBondContact OD2-NH2 3.49Å; Q431-R433 PolarHBondContact O-N 3.37Å
434Q46.6Very low60Low175 Ų17581.4 Ų81.482%0.81842%0.424SS*.SBendtrans-89.1-19.7-167.1-68.6-173-5.500114.6H432H432-Q434 PolarHBondContact O-N 3.38Å
435Q50.4Low58Low113 Ų11386.6 Ų86.653%0.52844%0.442SS..SBendtrans-98.6-13.1-176.4-68.4-165.6-0.700115.4Q431 S437Q431-Q435 VanDerWaalsContact OE1-CD 3.28Å; Q431-Q435 VanDerWaalsContact OE1-OE1 3.08Å; Q435-S437 PolarHBondContact O-N 2.92Å; Q435-S437 VanDerWaalsContact O-N 3.17Å
436F53Low56.1Low19 Ų1989.3 Ų89.38%0.08346%0.461CS..THydrogen-bonded Turntrans-81.210.5-174.4-61.7-66.5000114.5P231 A234 W235 L428 S438P231-F436 HydrophobicContact CB-CD2 3.98Å; P231-F436 HydrophobicContact CB-CE2 4.03Å; P231-F436 HydrophobicContact CG-CD2 4.5Å; A234-F436 HydrophobicContact CB-CB 3.93Å; A234-F436 HydrophobicContact CB-CD1 3.35Å; A234-F436 HydrophobicContact CB-CE1 4.03Å; A234-F436 HydrophobicContact CB-CG 3.83Å; W235-F436 HydrophobicContact CB-CE1 4.31Å; W235-F436 HydrophobicContact CB-CZ 4.39Å; L428-F436 HydrophobicContact CB-CZ 4.39Å; F436-S438 PolarHBondContact O-N 3.22Å
437S40.4Very low54.2Low107 Ų10790 Ų9075%0.74847%0.465SS*.THydrogen-bonded Turntrans-82.9-2.1-177.6540000115.1Q435Q435-S437 PolarHBondContact O-N 2.92Å; Q435-S437 VanDerWaalsContact O-N 3.17Å
438S40Very low52.4Low64 Ų6491.1 Ų91.145%0.44846%0.463SS..  trans-95.695.217245.20000110.5R238 F436R238-S438 PolarHBondContact NH2-O 3.18Å; R238-S438 PolarHBondContact NH2-OG 3.28Å; F436-S438 PolarHBondContact O-N 3.22Å
439S35.6Very low50.9Low88 Ų8892.4 Ų92.462%0.61547%0.474SS*.  trans-67.4128.2168.736.90000110.6S441S439-S441 PolarHBondContact O-N 2.89Å
440P36.9Very low49.3Very low59 Ų5993.8 Ų93.838%0.38348%0.481SS..  trans-76.692.3165.828-25.2000108.7T442P440-T442 PolarHBondContact O-N 3.25Å
441S31.8Very low48.2Very low102 Ų10291.7 Ų91.771%0.71347%0.472SS*.  trans-84.5100.4164.759.40000108.5S439S439-S441 PolarHBondContact O-N 2.89Å
442T37.9Very low47.4Very low70 Ų7093 Ų9343%0.42948%0.477SS..  trans-161.8112.2160.328.70000109.2P440 R444P440-T442 PolarHBondContact O-N 3.25Å; T442-R444 VanDerWaalsContact CB-CZ 3.47Å; T442-R444 PolarHBondContact O-N 3.29Å; T442-R444 VanDerWaalsContact O-N 3.11Å; T442-R444 WeakPolarHBondContact OG1-CD 3.47Å; T442-R444 PolarHBondContact OG1-NE 3.15Å; T442-R444 PolarHBondContact OG1-NH1 3.01Å; T442-R444 PolarHBondContact OG1-NH2 2.91Å
443D34.3Very low46.4Very low176 Ų17698.6 Ų98.694%0.94150%0.503SS*.  trans-46.1109.5152.8-94.6-36.2000108.2
444R47.2Very low46.1Very low107 Ų10795.7 Ų95.740%0.40450%0.498SS..  trans-134.6118.9-177.5-87.7164.3-174178.64111.4S271 T442 S446S271-R444 PolarHBondContact O-NH1 3.31Å; S271-R444 PolarHBondContact O-NH2 3.19Å; S271-R444 WeakPolarHBondContact OG-CD 3.22Å; S271-R444 VanDerWaalsContact OG-CZ 3.22Å; S271-R444 PolarHBondContact OG-NE 3.33Å; S271-R444 PolarHBondContact OG-NH1 3.33Å; S271-R444 VanDerWaalsContact OG-NH1 3.1Å; T442-R444 VanDerWaalsContact CB-CZ 3.47Å; T442-R444 PolarHBondContact O-N 3.29Å; T442-R444 VanDerWaalsContact O-N 3.11Å; T442-R444 WeakPolarHBondContact OG1-CD 3.47Å; T442-R444 PolarHBondContact OG1-NE 3.15Å; T442-R444 PolarHBondContact OG1-NH1 3.01Å; T442-R444 PolarHBondContact OG1-NH2 2.91Å; R444-S446 PolarHBondContact O-N 2.88Å; R444-S446 VanDerWaalsContact O-N 3.07Å
445R47.8Very low46.1Very low183 Ų18391.5 Ų91.569%0.69148%0.482SS*.  trans-37.6112.2159.8-66.1175.5-177.3169.10.1107.5
446S50.7Low45.9Very low57 Ų5790.3 Ų90.340%0.39948%0.479SS..  trans-72.8152.4-179.667.30000108.7R444 R448 S449R444-S446 PolarHBondContact O-N 2.88Å; R444-S446 VanDerWaalsContact O-N 3.07Å; S446-R448 PolarHBondContact O-N 2.66Å; S446-R448 WeakPolarHBondContact OG-CB 3.22Å; S446-R448 WeakPolarHBondContact OG-CG 3.41Å; S446-R448 PolarHBondContact OG-N 3.31Å; S446-S449 PolarHBondContact O-N 3Å; S446-S449 PolarHBondContact O-OG 2.8Å
447L54.2Low45.5Very low16 Ų1694.5 Ų94.58%0.08450%0.502CS..THydrogen-bonded Turntrans-49-16169.1-69174.6000112.9L201 L244 Y247 T268 S449 L450L201-L447 HydrophobicContact CD1-CB 4.13Å; L201-L447 HydrophobicContact CD1-CD1 4.45Å; L244-L447 HydrophobicContact CD1-CD1 3.46Å; L244-L447 VanDerWaalsContact CD1-CD1 3.46Å; L244-L447 HydrophobicContact CD1-CG 4.43Å; Y247-L447 HydrophobicContact CD1-CD1 3.91Å; Y247-L447 HydrophobicContact CE1-CD1 3.78Å; T268-L447 HydrophobicContact CG2-CD2 4.07Å; L447-S449 PolarHBondContact O-N 2.95Å; L447-L450 HydrophobicContact CD2-CD1 3.74Å; L447-L450 WeakPolarHBondContact O-CB 3.39Å; L447-L450 PolarHBondContact O-N 2.76Å; L447-L450 VanDerWaalsContact O-N 3.12Å
448R50.1Low45.8Very low98 Ų9893.8 Ų93.837%0.3749%0.487SS..Hα-helixtrans-53.2-38.9170-66.2-175.7156155.10.2112.5D209 S446 L450 F451 F452D209-R448 IonicContact OD1-NH1 2.76Å; D209-R448 PolarHBondContact OD1-NH1 2.96Å; D209-R448 IonicContact OD1-NH2 3.54Å; D209-R448 IonicContact OD2-CZ 3Å; D209-R448 IonicContact OD2-NH1 3.37Å; D209-R448 PolarHBondContact OD2-NH1 3.36Å; D209-R448 IonicContact OD2-NH2 3.9Å; D209-R448 PolarHBondContact OD2-NH2 3.1Å; S446-R448 PolarHBondContact O-N 2.66Å; S446-R448 WeakPolarHBondContact OG-CB 3.22Å; S446-R448 WeakPolarHBondContact OG-CG 3.41Å; S446-R448 PolarHBondContact OG-N 3.31Å; R448-L450 PolarHBondContact O-N 2.82Å; R448-F451 PolarHBondContact O-N 2.88Å; R448-F452 HydrophobicContact CB-CD2 4.33Å; R448-F452 PolarHBondContact O-N 2.84Å
449S58.6Low46.2Very low48 Ų4895.7 Ų95.734%0.33649%0.49SS..Hα-helixtrans-66.4-18.7-17863.90000113.2S446 L447 H453S446-S449 PolarHBondContact O-N 3Å; S446-S449 PolarHBondContact O-OG 2.8Å; L447-S449 PolarHBondContact O-N 2.95Å; S449-H453 PolarHBondContact O-CE1 2.95Å; S449-H453 PolarHBondContact O-NE2 3.2Å
450L56.4Low46.9Very low31 Ų3196.3 Ų96.316%0.16248%0.481CS..Hα-helixtrans-82.4-20.1178-65.6172.3000113.2A259 I265 L447 R448A259-L450 HydrophobicContact CB-CD2 4.02Å; I265-L450 HydrophobicContact CG1-CD1 4.15Å; I265-L450 HydrophobicContact CG1-CD2 4.49Å; L447-L450 HydrophobicContact CD2-CD1 3.74Å; L447-L450 WeakPolarHBondContact O-CB 3.39Å; L447-L450 PolarHBondContact O-N 2.76Å; L447-L450 VanDerWaalsContact O-N 3.12Å; R448-L450 PolarHBondContact O-N 2.82Å
451F58.3Low47.7Very low60 Ų6099.2 Ų99.226%0.26349%0.488SS..Hα-helixtrans-127.1-13.6-172.6-66.8-71.4000114.8F197 L201 L255 R448F197-F451 HydrophobicContact CE1-CD1 4.3Å; F197-F451 HydrophobicContact CE1-CE1 4.05Å; F197-F451 HydrophobicContact CE1-CZ 4.35Å; F197-F451 HydrophobicContact CE2-CZ 4.24Å; F197-F451 HydrophobicContact CZ-CD1 4.12Å; F197-F451 HydrophobicContact CZ-CD2 4.33Å; F197-F451 AromaticContact CZ-CE1 3.58Å; F197-F451 HydrophobicContact CZ-CE1 3.58Å; F197-F451 AromaticContact CZ-CE2 3.82Å; F197-F451 HydrophobicContact CZ-CE2 3.82Å; F197-F451 HydrophobicContact CZ-CG 4.49Å; F197-F451 AromaticContact CZ-CZ 3.44Å; F197-F451 HydrophobicContact CZ-CZ 3.44Å; F197-F451 VanDerWaalsContact CZ-CZ 3.44Å; L201-F451 HydrophobicContact CD2-CB 4.39Å; L201-F451 HydrophobicContact CD2-CD2 3.91Å; L201-F451 HydrophobicContact CD2-CG 4.31Å; L255-F451 HydrophobicContact CD2-CE2 3.49Å; L255-F451 VanDerWaalsContact CD2-CE2 3.49Å; L255-F451 HydrophobicContact CD2-CZ 3.66Å; R448-F451 PolarHBondContact O-N 2.88Å
452F52.7Low49Very low106 Ų10698.9 Ų98.947%0.46547%0.469SS..  trans-127.488.6179.4-59.3-80.4000108.6L198 L201 L202 R448L198-F452 HydrophobicContact CD1-CZ 4.42Å; L201-F452 HydrophobicContact CD2-CE2 4.3Å; L202-F452 HydrophobicContact CD2-CZ 4.39Å; R448-F452 HydrophobicContact CB-CD2 4.33Å; R448-F452 PolarHBondContact O-N 2.84Å
453H40Very low50Low235 Ų235101.5 Ų101.5100%1.08847%0.473SS*.  trans-960159.2-77.8-45.9000110S449S449-H453 PolarHBondContact O-CE1 2.95Å; S449-H453 PolarHBondContact O-NE2 3.2Å

Retrieved 453 of 453 residues in 207.8 ms (Link to these results)

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