A0A3Q0KTC7_SCHMA Loading...

Surfeit locus protein, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KTC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 276 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
1M59.4Low68.2Low177 Ų177107.1 Ų107.187%0.87256%0.559SS**  0-46.30-160.2175.317400111.6D3 I4 M5M1-D3 PolarHBondContact O-N 3.12Å; M1-I4 PolarHBondContact O-N 3.03Å; M1-M5 HydrophobicContact CE-CE 4.26Å; M1-M5 HydrophobicContact CG-CE 4.08Å; M1-M5 PolarHBondContact O-N 3.22Å
2V66Low69.4Low97 Ų97112 Ų11259%0.58857%0.565SS**Hα-helixtrans-55.9-46.5173.9179.30000112.2I4 M5 Q6V2-I4 VanDerWaalsContact C-N 3.3Å; V2-I4 PolarHBondContact O-N 3.29Å; V2-M5 CarbonylContact O-C 3.57Å; V2-M5 PolarHBondContact O-N 3.46Å; V2-M5 VanDerWaalsContact O-N 3.12Å; V2-Q6 WeakPolarHBondContact O-CB 3.48Å; V2-Q6 PolarHBondContact O-N 2.76Å
3D66.4Low70.7Confident124 Ų124111.4 Ų111.466%0.66356%0.559SS**Hα-helixtrans-60.9-34.3177.7-70.4-30.2000114.2M1 R7M1-D3 PolarHBondContact O-N 3.12Å; D3-R7 VanDerWaalsContact O-CB 3.29Å; D3-R7 WeakPolarHBondContact O-CB 3.27Å; D3-R7 PolarHBondContact O-N 3.28Å
4I65.1Low71.9Confident130 Ų130110.4 Ų110.467%0.66756%0.555SS**Hα-helixtrans-73.1-40.1177.2-61.9172.7000109.6M1 V2 S8M1-I4 PolarHBondContact O-N 3.03Å; V2-I4 VanDerWaalsContact C-N 3.3Å; V2-I4 PolarHBondContact O-N 3.29Å; I4-S8 VanDerWaalsContact O-CB 3.27Å; I4-S8 WeakPolarHBondContact O-CB 3.47Å; I4-S8 PolarHBondContact O-N 2.85Å
5M59.1Low72.9Confident112 Ų112107.8 Ų107.855%0.55254%0.543SS*.Hα-helixtrans-66.7-41.1174.5-74.1-160.1-90.100112M1 V2 S8 S9M1-M5 HydrophobicContact CE-CE 4.26Å; M1-M5 HydrophobicContact CG-CE 4.08Å; M1-M5 PolarHBondContact O-N 3.22Å; V2-M5 CarbonylContact O-C 3.57Å; V2-M5 PolarHBondContact O-N 3.46Å; V2-M5 VanDerWaalsContact O-N 3.12Å; M5-S8 CarbonylContact O-C 3.56Å; M5-S8 WeakPolarHBondContact O-CB 3.47Å; M5-S8 PolarHBondContact O-N 3.3Å; M5-S9 PolarHBondContact O-N 2.78Å
6Q61.4Low73.8Confident109 Ų109105.9 Ų105.951%0.50954%0.535SS..Hα-helixtrans-66.5-44.7173.6-91.5178.8-53.700111.6V2 S8 S9 T10V2-Q6 WeakPolarHBondContact O-CB 3.48Å; V2-Q6 PolarHBondContact O-N 2.76Å; Q6-S8 PolarHBondContact O-N 2.82Å; Q6-S9 WeakPolarHBondContact CA-OG 3.48Å; Q6-S9 PolarHBondContact O-N 3.38Å; Q6-S9 VanDerWaalsContact O-N 3.11Å; Q6-S9 PolarHBondContact O-OG 2.98Å; Q6-T10 WeakPolarHBondContact O-CB 3.23Å; Q6-T10 PolarHBondContact O-N 3.33Å; Q6-T10 PolarHBondContact O-OG1 3.11Å
7R64.6Low74.7Confident198 Ų198110 Ų11075%0.74754%0.543SS*.Hα-helixtrans-59.1-39.7172.1-101.9-178.4169.4-179.6-2.1111.5D3 S11D3-R7 VanDerWaalsContact O-CB 3.29Å; D3-R7 WeakPolarHBondContact O-CB 3.27Å; D3-R7 PolarHBondContact O-N 3.28Å; R7-S11 WeakPolarHBondContact O-CB 3.29Å; R7-S11 PolarHBondContact O-N 3.15Å; R7-S11 PolarHBondContact O-OG 2.8Å
8S69.3Low75.5Confident48 Ų48109.2 Ų109.234%0.33654%0.54SS..Hα-helixtrans-66.3-39.4175.2-179.10000111.6I4 M5 Q6 R12I4-S8 VanDerWaalsContact O-CB 3.27Å; I4-S8 WeakPolarHBondContact O-CB 3.47Å; I4-S8 PolarHBondContact O-N 2.85Å; M5-S8 CarbonylContact O-C 3.56Å; M5-S8 WeakPolarHBondContact O-CB 3.47Å; M5-S8 PolarHBondContact O-N 3.3Å; Q6-S8 PolarHBondContact O-N 2.82Å; S8-R12 WeakPolarHBondContact O-CB 3.35Å; S8-R12 WeakPolarHBondContact O-CG 3.48Å; S8-R12 PolarHBondContact O-N 2.91Å
9S76.2Confident76.1Confident48 Ų48106.3 Ų106.334%0.33653%0.525SS..Hα-helixtrans-68.4-47.8178.172.80000110.4M5 Q6 S11 R12 E13M5-S9 PolarHBondContact O-N 2.78Å; Q6-S9 WeakPolarHBondContact CA-OG 3.48Å; Q6-S9 PolarHBondContact O-N 3.38Å; Q6-S9 VanDerWaalsContact O-N 3.11Å; Q6-S9 PolarHBondContact O-OG 2.98Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 2.98Å; S9-R12 PolarHBondContact O-N 2.96Å; S9-E13 WeakPolarHBondContact O-CB 3.17Å; S9-E13 WeakPolarHBondContact O-CG 3.44Å; S9-E13 PolarHBondContact O-N 2.81Å
10T80.9Confident76.7Confident73 Ų73106.6 Ų106.645%0.44853%0.529SS..Hα-helixtrans-61-41.1175.7-51.50000111.6Q6 E13 L14Q6-T10 WeakPolarHBondContact O-CB 3.23Å; Q6-T10 PolarHBondContact O-N 3.33Å; Q6-T10 PolarHBondContact O-OG1 3.11Å; T10-E13 PolarHBondContact O-N 2.85Å; T10-L14 HydrophobicContact CG2-CD1 4.24Å; T10-L14 WeakPolarHBondContact O-CB 3.43Å; T10-L14 VanDerWaalsContact O-CG 3.23Å; T10-L14 WeakPolarHBondContact O-CG 3.23Å; T10-L14 PolarHBondContact O-N 2.67Å
11S81.6Confident77.2Confident62 Ų62106.5 Ų106.543%0.43453%0.527SS..Hα-helixtrans-66.3-38.8177-60.30000111.9R7 S9 L15R7-S11 WeakPolarHBondContact O-CB 3.29Å; R7-S11 PolarHBondContact O-N 3.15Å; R7-S11 PolarHBondContact O-OG 2.8Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 2.98Å; S11-L15 WeakPolarHBondContact O-CB 3.46Å; S11-L15 VanDerWaalsContact O-CG 3.24Å; S11-L15 WeakPolarHBondContact O-CG 3.18Å; S11-L15 PolarHBondContact O-N 3.06Å
12R82.9Confident78.4Confident166 Ų16698.2 Ų98.263%0.62649%0.487SS*.Hα-helixtrans-65-48.8174.2-75.7174.4-175.6-159.61.9110.9S8 S9 L14 L15 D16S8-R12 WeakPolarHBondContact O-CB 3.35Å; S8-R12 WeakPolarHBondContact O-CG 3.48Å; S8-R12 PolarHBondContact O-N 2.91Å; S9-R12 PolarHBondContact O-N 2.96Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 2.89Å; R12-L15 PolarHBondContact O-N 3.25Å; R12-L15 VanDerWaalsContact O-N 3.09Å; R12-D16 WeakPolarHBondContact O-CB 3.35Å; R12-D16 PolarHBondContact O-N 3.17Å
13E86.8Confident79.3Confident104 Ų10496.5 Ų96.549%0.48647%0.474SS..Hα-helixtrans-57.1-41.9176-74.1171.5-15500112.3S9 T10 D16 R17S9-E13 WeakPolarHBondContact O-CB 3.17Å; S9-E13 WeakPolarHBondContact O-CG 3.44Å; S9-E13 PolarHBondContact O-N 2.81Å; T10-E13 PolarHBondContact O-N 2.85Å; E13-D16 PolarHBondContact O-N 2.83Å; E13-R17 WeakPolarHBondContact O-CB 3.42Å; E13-R17 VanDerWaalsContact O-CG 3.28Å; E13-R17 WeakPolarHBondContact O-CG 3.5Å; E13-R17 PolarHBondContact O-N 3.38Å
14L87.2Confident80.3Confident97 Ų9796.7 Ų96.751%0.50847%0.466SS..Hα-helixtrans-64.5-45.5175.1-74.7172.1000111.6T10 R12 D16 R17 L18T10-L14 HydrophobicContact CG2-CD1 4.24Å; T10-L14 WeakPolarHBondContact O-CB 3.43Å; T10-L14 VanDerWaalsContact O-CG 3.23Å; T10-L14 WeakPolarHBondContact O-CG 3.23Å; T10-L14 PolarHBondContact O-N 2.67Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 2.89Å; L14-D16 VanDerWaalsContact C-N 3.3Å; L14-D16 PolarHBondContact O-N 3.38Å; L14-R17 PolarHBondContact O-N 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.07Å; L14-L18 PolarHBondContact O-N 3.4Å
15L86.4Confident81.1Confident72 Ų7293.5 Ų93.538%0.37745%0.449SS..Hα-helixtrans-62.8-37.4177.6-76.7170.6000112.3S11 R12 L18 E19S11-L15 WeakPolarHBondContact O-CB 3.46Å; S11-L15 VanDerWaalsContact O-CG 3.24Å; S11-L15 WeakPolarHBondContact O-CG 3.18Å; S11-L15 PolarHBondContact O-N 3.06Å; R12-L15 PolarHBondContact O-N 3.25Å; R12-L15 VanDerWaalsContact O-N 3.09Å; L15-L18 PolarHBondContact O-N 3.14Å; L15-E19 PolarHBondContact O-N 3.5Å
16D86.9Confident82.3Confident77 Ų7788.5 Ų88.541%0.41243%0.425SS..Hα-helixtrans-72.8-40.3180-62.7-14.7000110.3R12 E13 L14 L18 E19 D20 K207R12-D16 WeakPolarHBondContact O-CB 3.35Å; R12-D16 PolarHBondContact O-N 3.17Å; E13-D16 PolarHBondContact O-N 2.83Å; L14-D16 VanDerWaalsContact C-N 3.3Å; L14-D16 PolarHBondContact O-N 3.38Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 3.12Å; D16-E19 WeakPolarHBondContact O-CB 3.38Å; D16-E19 PolarHBondContact O-N 3.09Å; D16-D20 PolarHBondContact O-N 3.04Å; D16-K207 IonicContact OD1-NZ 3.18Å; D16-K207 PolarHBondContact OD1-NZ 2.91Å
17R89.8Confident83.4Confident176 Ų17692.8 Ų92.866%0.66444%0.437SS*.Hα-helixtrans-60.3-38.8170.4-74.7-178.9-170.8-155.55.3112.8E13 L14 H21E13-R17 WeakPolarHBondContact O-CB 3.42Å; E13-R17 VanDerWaalsContact O-CG 3.28Å; E13-R17 WeakPolarHBondContact O-CG 3.5Å; E13-R17 PolarHBondContact O-N 3.38Å; L14-R17 PolarHBondContact O-N 3.31Å; R17-H21 WeakPolarHBondContact O-CB 3.24Å; R17-H21 PolarHBondContact O-N 3.17Å
18L88.6Confident84.4Confident95 Ų9590.7 Ų90.750%0.49743%0.433SS..Hα-helixtrans-67.7-39.4176.3-73173.3000111.3L14 L15 D16 H21 A22 L210L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.07Å; L14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.14Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 3.12Å; L18-H21 PolarHBondContact O-N 3.19Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 3.46Å; L18-L210 HydrophobicContact CB-CD1 3.99Å; L18-L210 HydrophobicContact CB-CD2 4.16Å
19E86.9Confident85Confident54 Ų5490.3 Ų90.325%0.25243%0.43SS..Hα-helixtrans-61.9-47.6172.2-87.6-175.2146.900112L15 D16 H21 A22 D23 K207 L210L15-E19 PolarHBondContact O-N 3.5Å; D16-E19 WeakPolarHBondContact O-CB 3.38Å; D16-E19 PolarHBondContact O-N 3.09Å; E19-H21 PolarHBondContact O-N 2.81Å; E19-A22 PolarHBondContact O-N 2.7Å; E19-A22 VanDerWaalsContact O-N 3.13Å; E19-D23 PolarHBondContact O-N 3.1Å; E19-K207 VanDerWaalsContact CD-NZ 3.29Å; E19-K207 HydrophobicContact CG-CD 4.18Å; E19-K207 WeakPolarHBondContact OE1-CB 3.33Å; E19-K207 WeakPolarHBondContact OE1-CD 3.32Å; E19-K207 WeakPolarHBondContact OE1-CG 3.41Å; E19-K207 IonicContact OE1-NZ 3.74Å; E19-K207 WeakPolarHBondContact OE2-CE 3.5Å; E19-K207 IonicContact OE2-NZ 2.71Å; E19-K207 PolarHBondContact OE2-NZ 3.24Å; E19-L210 HydrophobicContact CG-CB 4Å; E19-L210 HydrophobicContact CG-CD2 3.92Å
20D89Confident85.3Confident113 Ų11395.9 Ų95.960%0.60444%0.444SS*.Hα-helixtrans-58.3-40.8176.7-74.6-24.5000111.3D16 W24D16-D20 PolarHBondContact O-N 3.04Å; D20-W24 VanDerWaalsContact O-CB 3.24Å; D20-W24 WeakPolarHBondContact O-CB 3.46Å; D20-W24 PolarHBondContact O-N 3.16Å
21H85.8Confident85.4Confident104 Ų104101.5 Ų101.548%0.48146%0.457SS..Hα-helixtrans-66.7-42.9176.4-168.475.6000112.1R17 L18 E19 W24 L25R17-H21 WeakPolarHBondContact O-CB 3.24Å; R17-H21 PolarHBondContact O-N 3.17Å; L18-H21 PolarHBondContact O-N 3.19Å; E19-H21 PolarHBondContact O-N 2.81Å; H21-W24 PolarHBondContact O-N 3.09Å; H21-L25 WeakPolarHBondContact O-CG 3.28Å; H21-L25 PolarHBondContact O-N 3.46Å
22A85.4Confident85.8Confident4 Ų4105.2 Ų105.23%0.03346%0.462CS..Hα-helixtrans-62.2-47175.200000110.8L18 E19 W24 L25 V26 L210L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 3.46Å; E19-A22 PolarHBondContact O-N 2.7Å; E19-A22 VanDerWaalsContact O-N 3.13Å; A22-W24 VanDerWaalsContact C-N 3.31Å; A22-W24 PolarHBondContact O-N 2.89Å; A22-L25 WeakPolarHBondContact O-CB 3.45Å; A22-L25 PolarHBondContact O-N 2.83Å; A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.45Å; A22-V26 PolarHBondContact O-N 3.31Å; A22-L210 HydrophobicContact CB-CB 4.41Å; A22-L210 HydrophobicContact CB-CD1 3.91Å
23D85.8Confident86.2Confident60 Ų6098.6 Ų98.632%0.32144%0.44SS..Hα-helixtrans-63.2-37.5176.8-92.4-31000112.2E19 V26 R27 K209E19-D23 PolarHBondContact O-N 3.1Å; D23-V26 PolarHBondContact O-N 2.66Å; D23-R27 WeakPolarHBondContact O-CB 3.22Å; D23-R27 VanDerWaalsContact O-CG 3.24Å; D23-R27 WeakPolarHBondContact O-CG 3.08Å; D23-R27 PolarHBondContact O-N 2.95Å; D23-K209 WeakPolarHBondContact OD1-CD 3.07Å; D23-K209 IonicContact OD1-NZ 2.73Å; D23-K209 PolarHBondContact OD1-NZ 3.42Å
24W87.3Confident86.4Confident129 Ų12994 Ų9449%0.48942%0.418SS..Hα-helixtrans-62.3-46.5172.4177.591000111.9D20 H21 A22 V26 R27 K28D20-W24 VanDerWaalsContact O-CB 3.24Å; D20-W24 WeakPolarHBondContact O-CB 3.46Å; D20-W24 PolarHBondContact O-N 3.16Å; H21-W24 PolarHBondContact O-N 3.09Å; A22-W24 VanDerWaalsContact C-N 3.31Å; A22-W24 PolarHBondContact O-N 2.89Å; W24-V26 VanDerWaalsContact C-N 3.34Å; W24-V26 PolarHBondContact O-N 3.44Å; W24-R27 PolarHBondContact O-N 3.32Å; W24-K28 HydrophobicContact CH2-CD 3.67Å; W24-K28 HydrophobicContact CZ2-CD 3.75Å; W24-K28 HydrophobicContact CZ3-CD 4.29Å; W24-K28 WeakPolarHBondContact O-CB 3.34Å; W24-K28 PolarHBondContact O-N 2.95Å
25L81.1Confident86.7Confident62 Ų6294 Ų9433%0.32542%0.415SS..Hα-helixtrans-59.1-45.1175.4-80.1169.3000111.1H21 A22 K28 S29H21-L25 WeakPolarHBondContact O-CG 3.28Å; H21-L25 PolarHBondContact O-N 3.46Å; A22-L25 WeakPolarHBondContact O-CB 3.45Å; A22-L25 PolarHBondContact O-N 2.83Å; L25-K28 PolarHBondContact O-N 2.71Å; L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.18Å; L25-S29 PolarHBondContact O-OG 2.97Å
26V83.9Confident87.1Confident7 Ų795.1 Ų95.14%0.04242%0.421CS..Hα-helixtrans-61.4-47176.7173.70000110.8A22 D23 W24 K28 S29 R30 V260A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.45Å; A22-V26 PolarHBondContact O-N 3.31Å; D23-V26 PolarHBondContact O-N 2.66Å; W24-V26 VanDerWaalsContact C-N 3.34Å; W24-V26 PolarHBondContact O-N 3.44Å; V26-K28 VanDerWaalsContact C-N 3.33Å; V26-K28 PolarHBondContact O-N 3.42Å; V26-S29 PolarHBondContact O-N 3.22Å; V26-S29 PolarHBondContact O-OG 2.94Å; V26-R30 WeakPolarHBondContact O-CA 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.28Å; V26-V260 WeakPolarHBondContact CG1-O 3.45Å; V26-V260 HydrophobicContact CG2-CG1 3.38Å
27R84.3Confident87.6Confident200 Ų20091.6 Ų91.676%0.75540%0.403SS*.Hα-helixtrans-59.9-42.9178.4-76.8172.564.4-171.90.3111.9D23 W24D23-R27 WeakPolarHBondContact O-CB 3.22Å; D23-R27 VanDerWaalsContact O-CG 3.24Å; D23-R27 WeakPolarHBondContact O-CG 3.08Å; D23-R27 PolarHBondContact O-N 2.95Å; W24-R27 PolarHBondContact O-N 3.32Å
28K85.7Confident87.9Confident153 Ų15383.4 Ų83.467%0.66537%0.372SS*.Hα-helixtrans-69.8-36.4179.5-170.1172.5-178-179.80112.5W24 L25 V26W24-K28 HydrophobicContact CH2-CD 3.67Å; W24-K28 HydrophobicContact CZ2-CD 3.75Å; W24-K28 HydrophobicContact CZ3-CD 4.29Å; W24-K28 WeakPolarHBondContact O-CB 3.34Å; W24-K28 PolarHBondContact O-N 2.95Å; L25-K28 PolarHBondContact O-N 2.71Å; V26-K28 VanDerWaalsContact C-N 3.33Å; V26-K28 PolarHBondContact O-N 3.42Å
29S83.2Confident88.3Confident40 Ų4084.2 Ų84.228%0.2837%0.371SS..Hα-helixtrans-91.1-5.8-177.961.90000114.2L25 V26 R31 Y32 L33L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.18Å; L25-S29 PolarHBondContact O-OG 2.97Å; V26-S29 PolarHBondContact O-N 3.22Å; V26-S29 PolarHBondContact O-OG 2.94Å; S29-R31 PolarHBondContact O-N 2.92Å; S29-Y32 PolarHBondContact O-N 3.49Å; S29-L33 VanDerWaalsContact O-CB 3.31Å; S29-L33 WeakPolarHBondContact O-CB 3.42Å; S29-L33 PolarHBondContact O-N 2.89Å
30R81.5Confident88.9Confident165 Ų16582 Ų8262%0.62336%0.362SS*.THydrogen-bonded Turntrans-51.5-30.5-172.8-164.8175-177.5-168-0.2114.9V26 P34V26-R30 WeakPolarHBondContact O-CA 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.28Å; R30-P34 WeakPolarHBondContact O-CD 3.35Å
31R83.8Confident89.3Confident192 Ų19276.6 Ų76.673%0.72533%0.333SS*.THydrogen-bonded Turntrans-69-36.7177.7-176.1175.7-178.4179.21.4112.9S29 H35S29-R31 PolarHBondContact O-N 2.92Å; R31-H35 PolarHBondContact O-CD2 3.04Å; R31-H35 VanDerWaalsContact O-CD2 3.3Å
32Y89.8Confident89.8Confident139 Ų13971.6 Ų71.655%0.54531%0.31SS..THydrogen-bonded Turntrans-106.7-31.9-171.7-56.8-76000112.4S29 H35 I36S29-Y32 PolarHBondContact O-N 3.49Å; Y32-H35 WeakPolarHBondContact O-CB 3.37Å; Y32-H35 PolarHBondContact O-N 3.27Å; Y32-I36 WeakPolarHBondContact O-CG1 3.41Å; Y32-I36 PolarHBondContact O-N 2.77Å
33L91Very high90.4Very high28 Ų2871.7 Ų71.715%0.14731%0.31CS..Hα-helixtrans-54.7-45.8-173.7-177.868000113S29 H35 I36 A37 V260 A261S29-L33 VanDerWaalsContact O-CB 3.31Å; S29-L33 WeakPolarHBondContact O-CB 3.42Å; S29-L33 PolarHBondContact O-N 2.89Å; L33-H35 VanDerWaalsContact C-N 3.31Å; L33-H35 PolarHBondContact O-N 2.87Å; L33-I36 PolarHBondContact O-N 3.22Å; L33-A37 WeakPolarHBondContact O-CB 3.13Å; L33-A37 PolarHBondContact O-N 2.81Å; L33-V260 HydrophobicContact CD2-CB 4.23Å; L33-V260 HydrophobicContact CD2-CG1 3.71Å; L33-A261 HydrophobicContact CD2-CB 3.82Å; L33-A261 HydrophobicContact CG-CB 4.25Å
34P91.4Very high91Very high6 Ų669.2 Ų69.24%0.03930%0.297CS..Hα-helixtrans-63.5-34.1176.7-23.235000113.4R30 R38 A261 Y262R30-P34 WeakPolarHBondContact O-CD 3.35Å; P34-R38 WeakPolarHBondContact O-CB 3.43Å; P34-R38 VanDerWaalsContact O-CG 3.27Å; P34-R38 WeakPolarHBondContact O-CG 3.44Å; P34-R38 PolarHBondContact O-N 3.3Å; P34-A261 HydrophobicContact CG-CB 4.24Å; P34-Y262 HydrophobicContact CB-CE2 4.27Å; P34-Y262 HydrophobicContact CG-CE2 4.19Å
35H92.9Very high91.5Very high97 Ų9763.4 Ų63.445%0.44928%0.276SS..Hα-helixtrans-70.1-44.3177.7-66.8-86000111.5R31 Y32 L33 A37 R38 F39 R95R31-H35 PolarHBondContact O-CD2 3.04Å; R31-H35 VanDerWaalsContact O-CD2 3.3Å; Y32-H35 WeakPolarHBondContact O-CB 3.37Å; Y32-H35 PolarHBondContact O-N 3.27Å; L33-H35 VanDerWaalsContact C-N 3.31Å; L33-H35 PolarHBondContact O-N 2.87Å; H35-A37 VanDerWaalsContact C-N 3.34Å; H35-R38 PolarHBondContact O-N 2.77Å; H35-F39 WeakPolarHBondContact O-CB 3.42Å; H35-F39 PolarHBondContact O-N 3.28Å; H35-R95 PolarHBondContact CE1-NE 2.72Å; H35-R95 PolarHBondContact CE1-NH2 3.4Å; H35-R95 VanDerWaalsContact CE1-NH2 3.35Å; H35-R95 PolarHBondContact NE2-NH2 2.93Å
36I95.4Very high92.3Very high97 Ų9762.2 Ų62.250%0.49727%0.269SS..Hα-helixtrans-62-45.9175.4-63.9168.8000109.5Y32 L33 R38 F39 C40Y32-I36 WeakPolarHBondContact O-CG1 3.41Å; Y32-I36 PolarHBondContact O-N 2.77Å; L33-I36 PolarHBondContact O-N 3.22Å; I36-R38 PolarHBondContact O-N 3.33Å; I36-F39 PolarHBondContact O-N 3.1Å; I36-C40 WeakPolarHBondContact O-CB 3.18Å; I36-C40 PolarHBondContact O-N 3.33Å; I36-C40 PolarHBondContact O-SG 3.47Å
37A96.2Very high92.9Very high3 Ų362.6 Ų62.63%0.02527%0.27CS..Hα-helixtrans-59.3-46178.800000112.2L33 H35 C40 L41 G254 L258L33-A37 WeakPolarHBondContact O-CB 3.13Å; L33-A37 PolarHBondContact O-N 2.81Å; H35-A37 VanDerWaalsContact C-N 3.34Å; A37-C40 PolarHBondContact O-N 2.82Å; A37-L41 VanDerWaalsContact O-CB 3.28Å; A37-L41 WeakPolarHBondContact O-CB 3.33Å; A37-L41 PolarHBondContact O-N 3.06Å; A37-G254 WeakPolarHBondContact CB-O 3.4Å; A37-G254 VanDerWaalsContact O-CA 3.25Å; A37-G254 WeakPolarHBondContact O-CA 3.29Å; A37-L258 HydrophobicContact CB-CD2 3.82Å; A37-L258 HydrophobicContact CB-CG 3.95Å
38R97Very high93.5Very high3 Ų353.9 Ų53.91%0.01124%0.239CC..Hα-helixtrans-61.8-43.5174.8-73.3178.9-169.1-177.511.4111.8P34 H35 I36 L41 V42 V92 R95 L137 E140 E144P34-R38 WeakPolarHBondContact O-CB 3.43Å; P34-R38 VanDerWaalsContact O-CG 3.27Å; P34-R38 WeakPolarHBondContact O-CG 3.44Å; P34-R38 PolarHBondContact O-N 3.3Å; H35-R38 PolarHBondContact O-N 2.77Å; I36-R38 PolarHBondContact O-N 3.33Å; R38-L41 PolarHBondContact O-N 2.89Å; R38-V42 WeakPolarHBondContact O-CG2 3.37Å; R38-V42 PolarHBondContact O-N 3.43Å; R38-V92 HydrophobicContact CB-CG1 4.23Å; R38-V92 HydrophobicContact CG-CG1 4.36Å; R38-R95 VanDerWaalsContact NH1-CD 3.32Å; R38-R95 VanDerWaalsContact NH1-NE 3.18Å; R38-L137 HydrophobicContact CG-CD1 3.8Å; R38-E140 IonicContact CZ-OE1 2.95Å; R38-E140 IonicContact CZ-OE2 3.99Å; R38-E140 IonicContact NE-OE1 3.02Å; R38-E140 PolarHBondContact NE-OE1 2.97Å; R38-E140 IonicContact NE-OE2 3.49Å; R38-E140 PolarHBondContact NE-OE2 3.47Å; R38-E140 IonicContact NH2-OE1 3.34Å; R38-E140 PolarHBondContact NH2-OE1 3.49Å; R38-E140 IonicContact NH2-OE2 2.9Å; R38-E140 PolarHBondContact NH2-OE2 3.26Å; R38-E144 IonicContact CZ-OE2 3.32Å; R38-E144 IonicContact NH2-OE1 3.37Å; R38-E144 PolarHBondContact NH2-OE1 3.48Å; R38-E144 IonicContact NH2-OE2 3.54Å; R38-E144 PolarHBondContact NH2-OE2 2.94Å
39F97.7Very high94.1Very high112 Ų11246.6 Ų46.649%0.49121%0.207SC..Hα-helixtrans-61.6-48.4176.1179.2-99.5000112.6H35 I36 L41 V42 S43 L93H35-F39 WeakPolarHBondContact O-CB 3.42Å; H35-F39 PolarHBondContact O-N 3.28Å; I36-F39 PolarHBondContact O-N 3.1Å; F39-L41 VanDerWaalsContact C-N 3.31Å; F39-L41 PolarHBondContact O-N 3.33Å; F39-V42 PolarHBondContact O-N 3.23Å; F39-S43 WeakPolarHBondContact O-CB 3.37Å; F39-S43 PolarHBondContact O-N 2.93Å; F39-L93 HydrophobicContact CB-CD2 4.07Å; F39-L93 HydrophobicContact CD2-CD1 4.41Å; F39-L93 HydrophobicContact CD2-CD2 4.22Å
40C98Very high94.8Very high7 Ų750 Ų505%0.04722%0.217CC..Hα-helixtrans-57.4-45.8175-68.60000111.3I36 A37 S43 W250 S251I36-C40 WeakPolarHBondContact O-CB 3.18Å; I36-C40 PolarHBondContact O-N 3.33Å; I36-C40 PolarHBondContact O-SG 3.47Å; A37-C40 PolarHBondContact O-N 2.82Å; C40-S43 WeakPolarHBondContact O-CB 3.49Å; C40-S43 PolarHBondContact O-N 3.4Å; C40-S43 PolarHBondContact O-OG 3.47Å; C40-W250 VanDerWaalsContact CA-CD1 3.45Å; C40-W250 HydrophobicContact CB-CG 4.37Å; C40-W250 WeakPolarHBondContact CB-O 3.49Å; C40-W250 CarbonylContact O-C 3.59Å; C40-W250 VanDerWaalsContact SG-CE2 3.6Å; C40-W250 PolarHBondContact SG-NE1 3.33Å; C40-S251 WeakPolarHBondContact O-CA 3.28Å
41L97.5Very high95.4Very high0 Ų044.3 Ų44.30%020%0.195CC..Hα-helixtrans-58.1-52.1179.3-168.6158.4000111.9A37 R38 F39 S43 S133 L134 L137 S251 L258A37-L41 VanDerWaalsContact O-CB 3.28Å; A37-L41 WeakPolarHBondContact O-CB 3.33Å; A37-L41 PolarHBondContact O-N 3.06Å; R38-L41 PolarHBondContact O-N 2.89Å; F39-L41 VanDerWaalsContact C-N 3.31Å; F39-L41 PolarHBondContact O-N 3.33Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.12Å; L41-S133 WeakPolarHBondContact CD1-O 3.48Å; L41-L134 HydrophobicContact CD2-CD2 3.56Å; L41-L134 HydrophobicContact CD2-CG 4.17Å; L41-L137 HydrophobicContact CD1-CB 3.93Å; L41-L137 HydrophobicContact CD1-CD2 4.17Å; L41-L137 HydrophobicContact CD2-CD2 4.24Å; L41-S251 WeakPolarHBondContact O-CB 3.19Å; L41-S251 PolarHBondContact O-OG 3.45Å; L41-L258 HydrophobicContact CD1-CD1 4Å
42V97.9Very high96Very high0 Ų035.1 Ų35.10%016%0.161CC..Hα-helixtrans-81.5-13.1-174.3-56.20000114.1R38 F39 T44 F45 I46 V92 L93 L105R38-V42 WeakPolarHBondContact O-CG2 3.37Å; R38-V42 PolarHBondContact O-N 3.43Å; F39-V42 PolarHBondContact O-N 3.23Å; V42-T44 PolarHBondContact O-N 3.48Å; V42-T44 VanDerWaalsContact O-N 3.11Å; V42-F45 PolarHBondContact O-N 2.96Å; V42-I46 HydrophobicContact CG2-CD1 3.8Å; V42-I46 HydrophobicContact CG2-CG1 4.46Å; V42-I46 PolarHBondContact O-N 3.18Å; V42-I46 VanDerWaalsContact O-N 3.07Å; V42-V92 HydrophobicContact CG1-CB 3.83Å; V42-V92 HydrophobicContact CG1-CG1 3.49Å; V42-V92 VanDerWaalsContact CG1-CG1 3.49Å; V42-V92 HydrophobicContact CG1-CG2 4.28Å; V42-L93 HydrophobicContact CG2-CD1 3.92Å; V42-L93 HydrophobicContact CG2-CD2 3.71Å; V42-L93 HydrophobicContact CG2-CG 3.71Å; V42-L105 HydrophobicContact CG1-CD1 3.93Å
43S97.8Very high96.4Very high6 Ų632.8 Ų32.84%0.04216%0.157CC..Hα-helixtrans-52.2-36.3-178.367.70000113.3F39 C40 L41 F45 I46 E47 W250F39-S43 WeakPolarHBondContact O-CB 3.37Å; F39-S43 PolarHBondContact O-N 2.93Å; C40-S43 WeakPolarHBondContact O-CB 3.49Å; C40-S43 PolarHBondContact O-N 3.4Å; C40-S43 PolarHBondContact O-OG 3.47Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.12Å; S43-F45 VanDerWaalsContact C-N 3.31Å; S43-F45 PolarHBondContact O-N 3.15Å; S43-I46 PolarHBondContact O-N 3.22Å; S43-E47 VanDerWaalsContact O-CB 3.28Å; S43-E47 WeakPolarHBondContact O-CB 3.42Å; S43-E47 PolarHBondContact O-N 3.47Å; S43-W250 VanDerWaalsContact OG-CD1 3.28Å
44T96.9Very high96.6Very high8 Ų836.8 Ų36.85%0.04918%0.183CC..Hα-helixtrans-63.7-34.5177-1680000113V42 D48 L130V42-T44 PolarHBondContact O-N 3.48Å; V42-T44 VanDerWaalsContact O-N 3.11Å; T44-D48 VanDerWaalsContact O-CB 3.23Å; T44-D48 WeakPolarHBondContact O-CB 3.26Å; T44-D48 PolarHBondContact O-N 3.33Å; T44-L130 HydrophobicContact CG2-CD1 4.34Å; T44-L130 HydrophobicContact CG2-CD2 3.96Å
45F98.2Very high96.7Very high7 Ų738.3 Ų38.33%0.03119%0.19CC..Hα-helixtrans-79.9-35.3178.2-60.6-77.8000111.5V42 S43 G49 Q85 L105 V109 L134V42-F45 PolarHBondContact O-N 2.96Å; S43-F45 VanDerWaalsContact C-N 3.31Å; S43-F45 PolarHBondContact O-N 3.15Å; F45-G49 PolarHBondContact O-N 3.4Å; F45-Q85 VanDerWaalsContact CA-OE1 3.27Å; F45-Q85 HydrophobicContact CB-CB 4.3Å; F45-Q85 HydrophobicContact CB-CG 4.37Å; F45-Q85 HydrophobicContact CD1-CG 4.31Å; F45-Q85 PolarHBondContact O-OE1 3.44Å; F45-Q85 VanDerWaalsContact O-OE1 3.09Å; F45-L105 HydrophobicContact CB-CD2 3.91Å; F45-L105 HydrophobicContact CD1-CD2 3.88Å; F45-L105 HydrophobicContact CD2-CD1 3.95Å; F45-L105 HydrophobicContact CD2-CD2 4.01Å; F45-L105 HydrophobicContact CD2-CG 4.38Å; F45-L105 HydrophobicContact CE1-CB 4.29Å; F45-L105 HydrophobicContact CE1-CD2 4.41Å; F45-L105 HydrophobicContact CE2-CB 4.25Å; F45-L105 HydrophobicContact CE2-CD1 4.15Å; F45-L105 HydrophobicContact CG-CD1 4.46Å; F45-L105 HydrophobicContact CG-CD2 3.66Å; F45-L105 HydrophobicContact CG-CG 4.48Å; F45-L105 HydrophobicContact CZ-CB 4.12Å; F45-V109 HydrophobicContact CE1-CG2 3.63Å; F45-V109 HydrophobicContact CZ-CG2 3.81Å; F45-L134 HydrophobicContact CE2-CD1 4.18Å; F45-L134 HydrophobicContact CE2-CD2 4.36Å; F45-L134 HydrophobicContact CE2-CG 4.5Å; F45-L134 HydrophobicContact CZ-CD1 3.79Å
46I98.3Very high96.9Very high36 Ų3637.9 Ų37.919%0.18518%0.184CC..Hα-helixtrans-64.9-47.2174.3-64.6174.7000109.5V42 S43 G49 F50 F86 L93V42-I46 HydrophobicContact CG2-CD1 3.8Å; V42-I46 HydrophobicContact CG2-CG1 4.46Å; V42-I46 PolarHBondContact O-N 3.18Å; V42-I46 VanDerWaalsContact O-N 3.07Å; S43-I46 PolarHBondContact O-N 3.22Å; I46-G49 PolarHBondContact O-N 2.96Å; I46-F50 HydrophobicContact CG2-CD2 3.84Å; I46-F50 HydrophobicContact CG2-CE2 3.67Å; I46-F50 WeakPolarHBondContact O-CD2 3.49Å; I46-F50 PolarHBondContact O-N 3.31Å; I46-F86 HydrophobicContact CG2-CE1 4.37Å; I46-L93 HydrophobicContact CD1-CD1 3.79Å
47E97.4Very high96.9Very high16 Ų1636.9 Ų36.98%0.07519%0.186CC..Hα-helixtrans-64.3-46.1179-171.6-82.6147.600111.6S43 G49 F50 R51 K243 F247S43-E47 VanDerWaalsContact O-CB 3.28Å; S43-E47 WeakPolarHBondContact O-CB 3.42Å; S43-E47 PolarHBondContact O-N 3.47Å; E47-G49 VanDerWaalsContact C-N 3.32Å; E47-G49 PolarHBondContact O-N 3.04Å; E47-F50 PolarHBondContact O-N 2.89Å; E47-F50 VanDerWaalsContact O-N 3.12Å; E47-R51 WeakPolarHBondContact O-CB 3.38Å; E47-R51 PolarHBondContact O-N 3.39Å; E47-K243 HydrophobicContact CG-CD 4.5Å; E47-K243 WeakPolarHBondContact OE1-CD 3.41Å; E47-K243 WeakPolarHBondContact OE1-CE 3.4Å; E47-K243 IonicContact OE1-NZ 2.66Å; E47-K243 PolarHBondContact OE1-NZ 3.37Å; E47-F247 HydrophobicContact CB-CD1 4.03Å; E47-F247 HydrophobicContact CB-CD2 4.01Å; E47-F247 HydrophobicContact CB-CE1 4.16Å; E47-F247 HydrophobicContact CB-CE2 4.18Å; E47-F247 HydrophobicContact CB-CG 3.96Å; E47-F247 HydrophobicContact CB-CZ 4.24Å; E47-F247 HydrophobicContact CG-CD1 4.46Å; E47-F247 HydrophobicContact CG-CD2 3.58Å; E47-F247 HydrophobicContact CG-CE1 4.43Å; E47-F247 HydrophobicContact CG-CE2 3.58Å; E47-F247 HydrophobicContact CG-CG 4.06Å; E47-F247 HydrophobicContact CG-CZ 4.02Å
48D96.6Very high96.9Very high16 Ų1641.7 Ų41.79%0.08621%0.211CC..Hα-helixtrans-62-40.7175.8-173.961.4000111.4T44 F50 R51 L52 Q85 Q112T44-D48 VanDerWaalsContact O-CB 3.23Å; T44-D48 WeakPolarHBondContact O-CB 3.26Å; T44-D48 PolarHBondContact O-N 3.33Å; D48-F50 VanDerWaalsContact C-N 3.32Å; D48-F50 PolarHBondContact O-N 2.98Å; D48-R51 WeakPolarHBondContact O-CB 3.47Å; D48-R51 PolarHBondContact O-N 2.87Å; D48-R51 VanDerWaalsContact O-N 3.16Å; D48-R51 IonicContact OD1-CZ 3.21Å; D48-R51 IonicContact OD1-NE 2.93Å; D48-R51 PolarHBondContact OD1-NE 3.41Å; D48-R51 IonicContact OD1-NH2 2.69Å; D48-R51 PolarHBondContact OD1-NH2 3.15Å; D48-L52 VanDerWaalsContact O-CG 3.28Å; D48-L52 WeakPolarHBondContact O-CG 3.42Å; D48-L52 PolarHBondContact O-N 3.32Å; D48-Q85 PolarHBondContact OD2-NE2 3.2Å; D48-Q85 PolarHBondContact OD2-OE1 2.89Å; D48-Q85 VanDerWaalsContact OD2-OE1 3.13Å; D48-Q112 PolarHBondContact OD2-NE2 3.18Å; D48-Q112 PolarHBondContact OD2-OE1 3.39Å
49G97.6Very high96.8Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-57.5-41.4172.400000113.3F45 I46 E47 L53F45-G49 PolarHBondContact O-N 3.4Å; I46-G49 PolarHBondContact O-N 2.96Å; E47-G49 VanDerWaalsContact C-N 3.32Å; E47-G49 PolarHBondContact O-N 3.04Å; G49-L53 WeakPolarHBondContact O-CG 3.4Å; G49-L53 PolarHBondContact O-N 3.35Å
50F97.4Very high96.8Very high112 Ų11237.4 Ų37.449%0.49119%0.193SC..Hα-helixtrans-68.1-42.1173.3-82.4-64.9000112.4I46 E47 D48 L52 L53 T54 F86I46-F50 HydrophobicContact CG2-CD2 3.84Å; I46-F50 HydrophobicContact CG2-CE2 3.67Å; I46-F50 WeakPolarHBondContact O-CD2 3.49Å; I46-F50 PolarHBondContact O-N 3.31Å; E47-F50 PolarHBondContact O-N 2.89Å; E47-F50 VanDerWaalsContact O-N 3.12Å; D48-F50 VanDerWaalsContact C-N 3.32Å; D48-F50 PolarHBondContact O-N 2.98Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 3.46Å; F50-L53 HydrophobicContact CD1-CD1 4.43Å; F50-L53 WeakPolarHBondContact O-CB 3.49Å; F50-L53 PolarHBondContact O-N 2.98Å; F50-L53 VanDerWaalsContact O-N 3.12Å; F50-T54 PolarHBondContact O-N 3.13Å; F50-T54 PolarHBondContact O-OG1 3.5Å; F50-T54 VanDerWaalsContact O-OG1 3.11Å; F50-F86 HydrophobicContact CD1-CZ 4.23Å; F50-F86 HydrophobicContact CD2-CE1 4.15Å; F50-F86 HydrophobicContact CD2-CZ 4.23Å; F50-F86 HydrophobicContact CE1-CZ 4.35Å; F50-F86 HydrophobicContact CE2-CE1 4.05Å; F50-F86 HydrophobicContact CE2-CZ 4.35Å; F50-F86 HydrophobicContact CG-CZ 4.16Å; F50-F86 HydrophobicContact CZ-CE1 4.34Å; F50-F86 HydrophobicContact CZ-CZ 4.41Å
51R95.4Very high96.7Very high45 Ų4541.6 Ų41.617%0.1722%0.215CC..Hα-helixtrans-56.9-46.8176.6-175.7-172.668.580.6-0.1111E47 D48 L53 T54 Q55 Q59E47-R51 WeakPolarHBondContact O-CB 3.38Å; E47-R51 PolarHBondContact O-N 3.39Å; D48-R51 WeakPolarHBondContact O-CB 3.47Å; D48-R51 PolarHBondContact O-N 2.87Å; D48-R51 VanDerWaalsContact O-N 3.16Å; D48-R51 IonicContact OD1-CZ 3.21Å; D48-R51 IonicContact OD1-NE 2.93Å; D48-R51 PolarHBondContact OD1-NE 3.41Å; D48-R51 IonicContact OD1-NH2 2.69Å; D48-R51 PolarHBondContact OD1-NH2 3.15Å; R51-L53 VanDerWaalsContact C-N 3.3Å; R51-L53 PolarHBondContact O-N 2.8Å; R51-T54 PolarHBondContact O-N 2.85Å; R51-T54 PolarHBondContact O-OG1 3.26Å; R51-T54 VanDerWaalsContact O-OG1 3.08Å; R51-Q55 VanDerWaalsContact CG-OE1 3.27Å; R51-Q55 WeakPolarHBondContact O-CB 3.48Å; R51-Q55 PolarHBondContact O-N 3.05Å; R51-Q59 VanDerWaalsContact NH1-NE2 3.12Å
52L96.8Very high96.6Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-63-32.6177-66.1-176.7000113D48 F50 W56 Q59 I78 N81 I82 Y116D48-L52 VanDerWaalsContact O-CG 3.28Å; D48-L52 WeakPolarHBondContact O-CG 3.42Å; D48-L52 PolarHBondContact O-N 3.32Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 3.46Å; L52-W56 WeakPolarHBondContact O-CA 3.24Å; L52-W56 PolarHBondContact O-N 3.46Å; L52-Q59 HydrophobicContact CD2-CB 4.32Å; L52-Q59 HydrophobicContact CD2-CG 3.75Å; L52-I78 HydrophobicContact CB-CG2 4.22Å; L52-I78 HydrophobicContact CD2-CD1 4.46Å; L52-I78 HydrophobicContact CD2-CG2 4.49Å; L52-N81 HydrophobicContact CD1-CB 3.88Å; L52-I82 HydrophobicContact CB-CD1 3.81Å; L52-I82 HydrophobicContact CB-CG1 3.51Å; L52-I82 HydrophobicContact CD1-CG1 3.92Å; L52-I82 HydrophobicContact CG-CG1 4.38Å; L52-Y116 VanDerWaalsContact CD2-OH 3.28Å; L52-Y116 WeakPolarHBondContact CD2-OH 3.34Å
53L97.4Very high96.5Very high90 Ų9046.5 Ų46.547%0.47123%0.234SC..Hα-helixtrans-70.9-43.4173.4-77.3171.7000112.1G49 F50 R51 I82 F86G49-L53 WeakPolarHBondContact O-CG 3.4Å; G49-L53 PolarHBondContact O-N 3.35Å; F50-L53 HydrophobicContact CD1-CD1 4.43Å; F50-L53 WeakPolarHBondContact O-CB 3.49Å; F50-L53 PolarHBondContact O-N 2.98Å; F50-L53 VanDerWaalsContact O-N 3.12Å; R51-L53 VanDerWaalsContact C-N 3.3Å; R51-L53 PolarHBondContact O-N 2.8Å; L53-I82 HydrophobicContact CD2-CD1 3.94Å; L53-I82 HydrophobicContact CD2-CG2 4.14Å; L53-I82 HydrophobicContact CG-CD1 4.11Å; L53-I82 HydrophobicContact CG-CG2 4.11Å; L53-F86 HydrophobicContact CD1-CE2 3.63Å; L53-F86 HydrophobicContact CD1-CZ 3.98Å; L53-F86 HydrophobicContact CG-CE2 4.39Å
54T95Very high96.5Very high111 Ų11149.5 Ų49.568%0.68125%0.247SC*.Hα-helixtrans-78.2-35.8-17551.90000113F50 R51F50-T54 PolarHBondContact O-N 3.13Å; F50-T54 PolarHBondContact O-OG1 3.5Å; F50-T54 VanDerWaalsContact O-OG1 3.11Å; R51-T54 PolarHBondContact O-N 2.85Å; R51-T54 PolarHBondContact O-OG1 3.26Å; R51-T54 VanDerWaalsContact O-OG1 3.08Å
55Q94.1Very high96.4Very high39 Ų3952.2 Ų52.218%0.18228%0.277CS..THydrogen-bonded Turntrans-102.332.2-179.3-64.7175.3-20.300111.2R51 S57 D58 Q59 D240R51-Q55 VanDerWaalsContact CG-OE1 3.27Å; R51-Q55 WeakPolarHBondContact O-CB 3.48Å; R51-Q55 PolarHBondContact O-N 3.05Å; Q55-S57 PolarHBondContact O-N 3.42Å; Q55-D58 PolarHBondContact O-N 2.98Å; Q55-Q59 HydrophobicContact CB-CG 4.32Å; Q55-Q59 VanDerWaalsContact O-CG 3.29Å; Q55-Q59 WeakPolarHBondContact O-CG 3.22Å; Q55-Q59 PolarHBondContact O-N 3.21Å; Q55-D240 PolarHBondContact NE2-OD1 2.88Å; Q55-D240 PolarHBondContact NE2-OD2 3.46Å
56W96.6Very high96.2Very high87 Ų8754.4 Ų54.433%0.3329%0.291SS..Hα-helixtrans-50.3-52-171.1172.2-90.7000113.3L52 D58 Q59 V60 A75 I78 L79 I82L52-W56 WeakPolarHBondContact O-CA 3.24Å; L52-W56 PolarHBondContact O-N 3.46Å; W56-D58 PolarHBondContact O-N 3.04Å; W56-Q59 PolarHBondContact O-N 3.32Å; W56-V60 HydrophobicContact CD2-CG2 4.17Å; W56-V60 HydrophobicContact CZ2-CG2 4.02Å; W56-V60 WeakPolarHBondContact O-CG2 3.19Å; W56-V60 PolarHBondContact O-N 2.73Å; W56-A75 HydrophobicContact CH2-CB 4.21Å; W56-A75 WeakPolarHBondContact CH2-O 3.19Å; W56-A75 HydrophobicContact CZ2-CB 3.73Å; W56-I78 HydrophobicContact CE3-CB 4.46Å; W56-I78 HydrophobicContact CE3-CG2 3.71Å; W56-I78 HydrophobicContact CH2-CB 4.44Å; W56-I78 HydrophobicContact CH2-CG2 4.48Å; W56-I78 HydrophobicContact CZ3-CB 4.01Å; W56-I78 HydrophobicContact CZ3-CG2 3.61Å; W56-L79 HydrophobicContact CH2-CB 4.09Å; W56-L79 HydrophobicContact CZ3-CB 4.31Å; W56-I82 HydrophobicContact CE3-CD1 4.08Å; W56-I82 HydrophobicContact CZ3-CD1 3.95Å
57S96.3Very high96.1Very high76 Ų7658.3 Ų58.353%0.53130%0.303SS..Hα-helixtrans-60.7-48.3-177.3-53.90000111.7Q55 Q59 V60 D61Q55-S57 PolarHBondContact O-N 3.42Å; S57-Q59 VanDerWaalsContact C-N 3.29Å; S57-Q59 PolarHBondContact O-N 2.87Å; S57-V60 PolarHBondContact O-N 2.86Å; S57-D61 WeakPolarHBondContact O-CB 3.09Å; S57-D61 PolarHBondContact O-N 3.48Å
58D94.4Very high95.9Very high104 Ų10461 Ų6156%0.55634%0.336SS*.Hα-helixtrans-61.2-38.9-179.5-56-37000111.9Q55 W56 Y62Q55-D58 PolarHBondContact O-N 2.98Å; W56-D58 PolarHBondContact O-N 3.04Å; D58-Y62 WeakPolarHBondContact O-CB 3.41Å; D58-Y62 PolarHBondContact O-N 3.29Å
59Q95.6Very high95.7Very high21 Ų2162.1 Ų62.110%0.09834%0.343CS..Hα-helixtrans-71.7-39179-60.8-56.9-68.300112.1R51 L52 Q55 W56 S57 I63 I78 Y116R51-Q59 VanDerWaalsContact NH1-NE2 3.12Å; L52-Q59 HydrophobicContact CD2-CB 4.32Å; L52-Q59 HydrophobicContact CD2-CG 3.75Å; Q55-Q59 HydrophobicContact CB-CG 4.32Å; Q55-Q59 VanDerWaalsContact O-CG 3.29Å; Q55-Q59 WeakPolarHBondContact O-CG 3.22Å; Q55-Q59 PolarHBondContact O-N 3.21Å; W56-Q59 PolarHBondContact O-N 3.32Å; S57-Q59 VanDerWaalsContact C-N 3.29Å; S57-Q59 PolarHBondContact O-N 2.87Å; Q59-I63 WeakPolarHBondContact O-CG1 3.48Å; Q59-I63 PolarHBondContact O-N 2.94Å; Q59-I63 VanDerWaalsContact O-N 3.08Å; Q59-I78 HydrophobicContact CB-CD1 3.84Å; Q59-I78 HydrophobicContact CB-CG1 4.19Å; Q59-Y116 PolarHBondContact OE1-OH 3.16Å
60V97.5Very high95.6Very high4 Ų467.4 Ų67.42%0.02437%0.367CS..Hα-helixtrans-65.9-45.9176.4171.30000110.5W56 S57 Y62 I63 Q64 V71 A74 A75 I78W56-V60 HydrophobicContact CD2-CG2 4.17Å; W56-V60 HydrophobicContact CZ2-CG2 4.02Å; W56-V60 WeakPolarHBondContact O-CG2 3.19Å; W56-V60 PolarHBondContact O-N 2.73Å; S57-V60 PolarHBondContact O-N 2.86Å; V60-Y62 VanDerWaalsContact C-N 3.32Å; V60-Y62 PolarHBondContact O-N 3.38Å; V60-I63 PolarHBondContact O-N 3.45Å; V60-Q64 VanDerWaalsContact O-CB 3.31Å; V60-Q64 WeakPolarHBondContact O-CB 3.46Å; V60-Q64 PolarHBondContact O-N 3.28Å; V60-V71 HydrophobicContact CG1-CG2 3.52Å; V60-A74 HydrophobicContact CG1-CB 4Å; V60-A75 HydrophobicContact CG1-CB 4.46Å; V60-A75 HydrophobicContact CG2-CB 4.25Å; V60-I78 HydrophobicContact CG2-CB 4.45Å; V60-I78 HydrophobicContact CG2-CG1 4.05Å
61D96.8Very high95.5Very high95 Ų9564.9 Ų64.951%0.50836%0.361SS..Hα-helixtrans-62.7-40.2178.2-70.7-11.6000111.2S57 Q64 G65S57-D61 WeakPolarHBondContact O-CB 3.09Å; S57-D61 PolarHBondContact O-N 3.48Å; D61-Q64 PolarHBondContact O-N 2.8Å; D61-G65 PolarHBondContact O-N 3.16Å
62Y95Very high95.6Very high104 Ų10468 Ų6841%0.40838%0.38SS..Hα-helixtrans-59.5-53174.5-176.2-90.9000111.8D58 V60 Q64 G65 V66 Y116D58-Y62 WeakPolarHBondContact O-CB 3.41Å; D58-Y62 PolarHBondContact O-N 3.29Å; V60-Y62 VanDerWaalsContact C-N 3.32Å; V60-Y62 PolarHBondContact O-N 3.38Å; Y62-Q64 VanDerWaalsContact C-N 3.31Å; Y62-Q64 PolarHBondContact O-N 2.96Å; Y62-G65 PolarHBondContact O-N 3.47Å; Y62-V66 HydrophobicContact CD1-CG2 4Å; Y62-V66 HydrophobicContact CE1-CG2 3.57Å; Y62-V66 HydrophobicContact CE2-CG2 4.46Å; Y62-V66 WeakPolarHBondContact O-CG2 3.3Å; Y62-V66 PolarHBondContact O-N 3.41Å; Y62-Y116 AromaticContact CD1-CD1 3.61Å; Y62-Y116 HydrophobicContact CD1-CD1 3.61Å; Y62-Y116 AromaticContact CD1-CE1 3.92Å; Y62-Y116 HydrophobicContact CD1-CE1 3.92Å; Y62-Y116 AromaticContact CE1-CD1 3.47Å; Y62-Y116 HydrophobicContact CE1-CD1 3.47Å; Y62-Y116 VanDerWaalsContact CE1-CD1 3.47Å; Y62-Y116 HydrophobicContact CE1-CE1 4.25Å; Y62-Y116 HydrophobicContact CE1-CG 4.33Å; Y62-Y116 PolarHBondContact OH-O 3.44Å
63I96.6Very high95.5Very high0 Ų074 Ų740%041%0.407CS..Hα-helixtrans-65.1-37.6-179.3-66.3-64.6000111.2Q59 V60 G65 V66 W67 A74 F77 I78 Y116Q59-I63 WeakPolarHBondContact O-CG1 3.48Å; Q59-I63 PolarHBondContact O-N 2.94Å; Q59-I63 VanDerWaalsContact O-N 3.08Å; V60-I63 PolarHBondContact O-N 3.45Å; I63-G65 VanDerWaalsContact C-N 3.31Å; I63-G65 PolarHBondContact O-N 3.07Å; I63-V66 PolarHBondContact O-N 3.26Å; I63-W67 HydrophobicContact CG2-CD2 3.92Å; I63-W67 HydrophobicContact CG2-CE3 4.22Å; I63-W67 HydrophobicContact CG2-CG 4.24Å; I63-W67 HydrophobicContact CG2-CZ2 4.4Å; I63-W67 WeakPolarHBondContact O-CB 3.29Å; I63-W67 PolarHBondContact O-N 2.83Å; I63-A74 HydrophobicContact CB-CB 4.02Å; I63-A74 HydrophobicContact CG2-CB 3.77Å; I63-F77 HydrophobicContact CD1-CD1 4.03Å; I63-F77 HydrophobicContact CD1-CE1 3.72Å; I63-F77 HydrophobicContact CG1-CD1 3.96Å; I63-F77 HydrophobicContact CG1-CE1 4.12Å; I63-F77 HydrophobicContact CG2-CD1 4.14Å; I63-I78 HydrophobicContact CG1-CD1 3.86Å; I63-Y116 HydrophobicContact CD1-CD1 3.9Å; I63-Y116 HydrophobicContact CD1-CD2 4.24Å; I63-Y116 HydrophobicContact CD1-CE1 3.92Å; I63-Y116 HydrophobicContact CD1-CE2 4.28Å; I63-Y116 HydrophobicContact CD1-CG 4.04Å; I63-Y116 HydrophobicContact CG1-CE1 4.32Å
64Q96.5Very high95.5Very high68 Ų6869.8 Ų69.832%0.31838%0.384SS..Hα-helixtrans-58.3-46173.9-168.3-173.4-0.800111.1V60 D61 Y62 G68 T69 A74V60-Q64 VanDerWaalsContact O-CB 3.31Å; V60-Q64 WeakPolarHBondContact O-CB 3.46Å; V60-Q64 PolarHBondContact O-N 3.28Å; D61-Q64 PolarHBondContact O-N 2.8Å; Y62-Q64 VanDerWaalsContact C-N 3.31Å; Y62-Q64 PolarHBondContact O-N 2.96Å; Q64-G68 WeakPolarHBondContact O-CA 3.4Å; Q64-G68 PolarHBondContact O-N 2.94Å; Q64-T69 WeakPolarHBondContact CG-O 3.41Å; Q64-A74 HydrophobicContact CB-CB 4.2Å
65G95.5Very high95.6Very high65 Ų6565.6 Ų65.667%0.6736%0.361SS*.Hα-helixtrans-63.6-42.717700000113.3D61 Y62 I63D61-G65 PolarHBondContact O-N 3.16Å; Y62-G65 PolarHBondContact O-N 3.47Å; I63-G65 VanDerWaalsContact C-N 3.31Å; I63-G65 PolarHBondContact O-N 3.07Å
66V94.5Very high95.8Very high54 Ų5470.1 Ų70.133%0.32738%0.38SS..Hα-helixtrans-68.7-39.8179.41790000111.8Y62 I63 N117Y62-V66 HydrophobicContact CD1-CG2 4Å; Y62-V66 HydrophobicContact CE1-CG2 3.57Å; Y62-V66 HydrophobicContact CE2-CG2 4.46Å; Y62-V66 WeakPolarHBondContact O-CG2 3.3Å; Y62-V66 PolarHBondContact O-N 3.41Å; I63-V66 PolarHBondContact O-N 3.26Å; V66-N117 HydrophobicContact CG1-CB 3.81Å
67W95Very high95.8Very high117 Ų11766.6 Ų66.644%0.44337%0.367SS..Hα-helixtrans-92.3-16.1-174.7-68.713000113.7I63 T69 F77 G115I63-W67 HydrophobicContact CG2-CD2 3.92Å; I63-W67 HydrophobicContact CG2-CE3 4.22Å; I63-W67 HydrophobicContact CG2-CG 4.24Å; I63-W67 HydrophobicContact CG2-CZ2 4.4Å; I63-W67 WeakPolarHBondContact O-CB 3.29Å; I63-W67 PolarHBondContact O-N 2.83Å; W67-T69 HydrophobicContact CB-CG2 3.82Å; W67-T69 HydrophobicContact CE3-CG2 4.18Å; W67-T69 PolarHBondContact O-N 3.4Å; W67-F77 HydrophobicContact CH2-CB 4.01Å; W67-F77 AromaticContact CH2-CD2 3.47Å; W67-F77 HydrophobicContact CH2-CD2 3.47Å; W67-F77 VanDerWaalsContact CH2-CD2 3.47Å; W67-F77 HydrophobicContact CH2-CE2 4.02Å; W67-F77 AromaticContact CH2-CG 3.76Å; W67-F77 HydrophobicContact CH2-CG 3.76Å; W67-F77 AromaticContact CZ2-CD2 3.86Å; W67-F77 HydrophobicContact CZ2-CD2 3.86Å; W67-F77 AromaticContact CZ2-CE2 3.97Å; W67-F77 HydrophobicContact CZ2-CE2 3.97Å; W67-F77 HydrophobicContact CZ2-CG 4.16Å; W67-F77 HydrophobicContact CZ2-CZ 4.4Å; W67-F77 HydrophobicContact CZ3-CB 4.31Å; W67-G115 PolarHBondContact NE1-O 3.29Å
68G93.2Very high95.9Very high73 Ų7363 Ų6375%0.75334%0.342SS*.THydrogen-bonded Turntrans60.831-173.600000112.9Q64Q64-G68 WeakPolarHBondContact O-CA 3.4Å; Q64-G68 PolarHBondContact O-N 2.94Å
69T93.1Very high96Very high40 Ų4062.2 Ų62.225%0.24534%0.337CS..  trans-106.5175.9-172.7-165.50000112.4Q64 W67 F73Q64-T69 WeakPolarHBondContact CG-O 3.41Å; W67-T69 HydrophobicContact CB-CG2 3.82Å; W67-T69 HydrophobicContact CE3-CG2 4.18Å; W67-T69 PolarHBondContact O-N 3.4Å; T69-F73 HydrophobicContact CG2-CB 3.95Å; T69-F73 WeakPolarHBondContact OG1-CD2 3.14Å
70H94.9Very high96.2Very high110 Ų11064.3 Ų64.351%0.50935%0.349SS..  trans-72.6144.8173-164.7-92.5000111I72 F73H70-I72 WeakPolarHBondContact ND1-CG1 3.15Å; H70-I72 PolarHBondContact ND1-N 3.41Å; H70-I72 PolarHBondContact O-N 3.31Å; H70-F73 HydrophobicContact CB-CD2 4.04Å; H70-F73 HydrophobicContact CB-CE2 4.41Å; H70-F73 PolarHBondContact O-N 3.31Å
71V95.8Very high96.2Very high59 Ų5964.1 Ų64.136%0.35835%0.348SS..Hα-helixtrans-50.5-32.6-177.369.10000113.7V60 F73 A74 A75V60-V71 HydrophobicContact CG1-CG2 3.52Å; V71-F73 PolarHBondContact O-N 3.01Å; V71-A74 PolarHBondContact O-N 3.16Å; V71-A75 VanDerWaalsContact O-CB 3.31Å; V71-A75 WeakPolarHBondContact O-CB 3.28Å; V71-A75 PolarHBondContact O-N 3.41Å
72I96.6Very high96.2Very high112 Ų11260 Ų6057%0.57433%0.326SS*.Hα-helixtrans-61.4-40.9179-64169.5000111.8H70 F76H70-I72 WeakPolarHBondContact ND1-CG1 3.15Å; H70-I72 PolarHBondContact ND1-N 3.41Å; H70-I72 PolarHBondContact O-N 3.31Å; I72-F76 WeakPolarHBondContact O-CB 3.42Å; I72-F76 PolarHBondContact O-N 3.33Å
73F96.3Very high96.4Very high126 Ų12658.1 Ų58.155%0.55333%0.327SS*.Hα-helixtrans-72.3-38.5-179.9-66.6-68.8000111.6T69 H70 V71 F76 F77T69-F73 HydrophobicContact CG2-CB 3.95Å; T69-F73 WeakPolarHBondContact OG1-CD2 3.14Å; H70-F73 HydrophobicContact CB-CD2 4.04Å; H70-F73 HydrophobicContact CB-CE2 4.41Å; H70-F73 PolarHBondContact O-N 3.31Å; V71-F73 PolarHBondContact O-N 3.01Å; F73-F76 PolarHBondContact O-N 2.88Å; F73-F77 PolarHBondContact O-N 3.39Å
74A96.5Very high96.5Very high0 Ų060 Ų600%034%0.337CS..Hα-helixtrans-63-47.5173.500000111.2V60 I63 Q64 V71 F76 F77 I78V60-A74 HydrophobicContact CG1-CB 4Å; I63-A74 HydrophobicContact CB-CB 4.02Å; I63-A74 HydrophobicContact CG2-CB 3.77Å; Q64-A74 HydrophobicContact CB-CB 4.2Å; V71-A74 PolarHBondContact O-N 3.16Å; A74-F76 VanDerWaalsContact C-N 3.33Å; A74-F76 PolarHBondContact O-N 3.42Å; A74-F77 WeakPolarHBondContact O-CB 3.3Å; A74-F77 PolarHBondContact O-N 3.02Å; A74-F77 VanDerWaalsContact O-N 3.17Å; A74-I78 WeakPolarHBondContact O-CG1 3.3Å; A74-I78 PolarHBondContact O-N 2.99Å
75A97.6Very high96.6Very high23 Ų2356.9 Ų56.919%0.1932%0.322CS..Hα-helixtrans-56.9-43.9174.100000112.6W56 V60 V71 F77 I78 L79W56-A75 HydrophobicContact CH2-CB 4.21Å; W56-A75 WeakPolarHBondContact CH2-O 3.19Å; W56-A75 HydrophobicContact CZ2-CB 3.73Å; V60-A75 HydrophobicContact CG1-CB 4.46Å; V60-A75 HydrophobicContact CG2-CB 4.25Å; V71-A75 VanDerWaalsContact O-CB 3.31Å; V71-A75 WeakPolarHBondContact O-CB 3.28Å; V71-A75 PolarHBondContact O-N 3.41Å; A75-F77 PolarHBondContact O-N 2.82Å; A75-I78 PolarHBondContact O-N 3.47Å; A75-L79 WeakPolarHBondContact O-CB 3.47Å; A75-L79 PolarHBondContact O-N 3.44Å
76F97.4Very high96.7Very high134 Ų13456.6 Ų56.659%0.58830%0.303SS*.Hα-helixtrans-62.3-42176.5-179.2-99.2000112.2I72 F73 A74 L79 L80I72-F76 WeakPolarHBondContact O-CB 3.42Å; I72-F76 PolarHBondContact O-N 3.33Å; F73-F76 PolarHBondContact O-N 2.88Å; A74-F76 VanDerWaalsContact C-N 3.33Å; A74-F76 PolarHBondContact O-N 3.42Å; F76-L79 PolarHBondContact O-N 3.41Å; F76-L80 VanDerWaalsContact O-CB 3.32Å; F76-L80 WeakPolarHBondContact O-CB 3.4Å; F76-L80 PolarHBondContact O-N 2.98Å
77F97.1Very high96.9Very high14 Ų1457.5 Ų57.56%0.06131%0.309CS..Hα-helixtrans-61.6-45.3176.4173.7-97.4000112.2I63 W67 F73 A74 A75 L80 N81 I111 Y116I63-F77 HydrophobicContact CD1-CD1 4.03Å; I63-F77 HydrophobicContact CD1-CE1 3.72Å; I63-F77 HydrophobicContact CG1-CD1 3.96Å; I63-F77 HydrophobicContact CG1-CE1 4.12Å; I63-F77 HydrophobicContact CG2-CD1 4.14Å; W67-F77 HydrophobicContact CH2-CB 4.01Å; W67-F77 AromaticContact CH2-CD2 3.47Å; W67-F77 HydrophobicContact CH2-CD2 3.47Å; W67-F77 VanDerWaalsContact CH2-CD2 3.47Å; W67-F77 HydrophobicContact CH2-CE2 4.02Å; W67-F77 AromaticContact CH2-CG 3.76Å; W67-F77 HydrophobicContact CH2-CG 3.76Å; W67-F77 AromaticContact CZ2-CD2 3.86Å; W67-F77 HydrophobicContact CZ2-CD2 3.86Å; W67-F77 AromaticContact CZ2-CE2 3.97Å; W67-F77 HydrophobicContact CZ2-CE2 3.97Å; W67-F77 HydrophobicContact CZ2-CG 4.16Å; W67-F77 HydrophobicContact CZ2-CZ 4.4Å; W67-F77 HydrophobicContact CZ3-CB 4.31Å; F73-F77 PolarHBondContact O-N 3.39Å; A74-F77 WeakPolarHBondContact O-CB 3.3Å; A74-F77 PolarHBondContact O-N 3.02Å; A74-F77 VanDerWaalsContact O-N 3.17Å; A75-F77 PolarHBondContact O-N 2.82Å; F77-L80 PolarHBondContact O-N 3.24Å; F77-N81 WeakPolarHBondContact CE1-ND2 3.36Å; F77-N81 WeakPolarHBondContact CE2-ND2 3.45Å; F77-N81 WeakPolarHBondContact CZ-ND2 3.08Å; F77-N81 PolarHBondContact O-N 3.38Å; F77-N81 PolarHBondContact O-ND2 3.11Å; F77-I111 HydrophobicContact CD2-CG2 4.33Å; F77-I111 HydrophobicContact CE2-CG2 3.46Å; F77-I111 VanDerWaalsContact CE2-CG2 3.46Å; F77-I111 HydrophobicContact CZ-CG2 4.1Å; F77-Y116 HydrophobicContact CE1-CD2 4.31Å; F77-Y116 AromaticContact CE1-CE2 3.94Å; F77-Y116 HydrophobicContact CE1-CE2 3.94Å
78I97.5Very high97.1Very high0 Ų052 Ų520%029%0.288CS..Hα-helixtrans-63.7-46.5177-61.1-57.2000110.6L52 W56 Q59 V60 I63 A74 A75 L80 N81 I82 Y116L52-I78 HydrophobicContact CB-CG2 4.22Å; L52-I78 HydrophobicContact CD2-CD1 4.46Å; L52-I78 HydrophobicContact CD2-CG2 4.49Å; W56-I78 HydrophobicContact CE3-CB 4.46Å; W56-I78 HydrophobicContact CE3-CG2 3.71Å; W56-I78 HydrophobicContact CH2-CB 4.44Å; W56-I78 HydrophobicContact CH2-CG2 4.48Å; W56-I78 HydrophobicContact CZ3-CB 4.01Å; W56-I78 HydrophobicContact CZ3-CG2 3.61Å; Q59-I78 HydrophobicContact CB-CD1 3.84Å; Q59-I78 HydrophobicContact CB-CG1 4.19Å; V60-I78 HydrophobicContact CG2-CB 4.45Å; V60-I78 HydrophobicContact CG2-CG1 4.05Å; I63-I78 HydrophobicContact CG1-CD1 3.86Å; A74-I78 WeakPolarHBondContact O-CG1 3.3Å; A74-I78 PolarHBondContact O-N 2.99Å; A75-I78 PolarHBondContact O-N 3.47Å; I78-L80 VanDerWaalsContact C-N 3.33Å; I78-L80 PolarHBondContact O-N 3.04Å; I78-N81 PolarHBondContact O-N 2.96Å; I78-N81 VanDerWaalsContact O-N 3.15Å; I78-I82 HydrophobicContact CG2-CD1 3.91Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CG1 3.46Å; I78-I82 PolarHBondContact O-N 3.32Å; I78-Y116 VanDerWaalsContact CD1-OH 3.25Å; I78-Y116 WeakPolarHBondContact CD1-OH 3.42Å
79L97.9Very high97.3Very high87 Ų8748.6 Ų48.646%0.45525%0.252SS..Hα-helixtrans-59.1-43.4177.7-174.363.7000112.1W56 A75 F76 N81 I82 C83W56-L79 HydrophobicContact CH2-CB 4.09Å; W56-L79 HydrophobicContact CZ3-CB 4.31Å; A75-L79 WeakPolarHBondContact O-CB 3.47Å; A75-L79 PolarHBondContact O-N 3.44Å; F76-L79 PolarHBondContact O-N 3.41Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.47Å; L79-I82 PolarHBondContact O-N 2.94Å; L79-C83 WeakPolarHBondContact O-CB 3.43Å; L79-C83 PolarHBondContact O-N 2.98Å; L79-C83 PolarHBondContact O-SG 3.39Å; L79-C83 VanDerWaalsContact O-SG 3.36Å
80L97.8Very high97.6Very high66 Ų6649.5 Ų49.535%0.34626%0.264SS..Hα-helixtrans-59.6-45.7176179.665.1000111F76 F77 I78 I82 C83 L84F76-L80 VanDerWaalsContact O-CB 3.32Å; F76-L80 WeakPolarHBondContact O-CB 3.4Å; F76-L80 PolarHBondContact O-N 2.98Å; F77-L80 PolarHBondContact O-N 3.24Å; I78-L80 VanDerWaalsContact C-N 3.33Å; I78-L80 PolarHBondContact O-N 3.04Å; L80-I82 PolarHBondContact O-N 3.22Å; L80-C83 PolarHBondContact O-N 3.13Å; L80-L84 HydrophobicContact CD1-CD1 3.98Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CD2-CD1 4.48Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.3Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.97Å
81N97.9Very high97.7Very high0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-62.3-43177.7-83.1-77.7000112.3L52 F77 I78 L79 L84 Q85 Q112L52-N81 HydrophobicContact CD1-CB 3.88Å; F77-N81 WeakPolarHBondContact CE1-ND2 3.36Å; F77-N81 WeakPolarHBondContact CE2-ND2 3.45Å; F77-N81 WeakPolarHBondContact CZ-ND2 3.08Å; F77-N81 PolarHBondContact O-N 3.38Å; F77-N81 PolarHBondContact O-ND2 3.11Å; I78-N81 PolarHBondContact O-N 2.96Å; I78-N81 VanDerWaalsContact O-N 3.15Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.47Å; N81-L84 PolarHBondContact O-N 2.89Å; N81-Q85 WeakPolarHBondContact O-CB 3.38Å; N81-Q85 WeakPolarHBondContact O-CG 3.25Å; N81-Q85 PolarHBondContact O-N 2.85Å; N81-Q112 WeakPolarHBondContact OD1-CG 3.43Å
82I98.4Very high97.8Very high9 Ų942.9 Ų42.95%0.04623%0.23CC..Hα-helixtrans-57.8-52.3175.4-68.9166.8000110.4L52 L53 W56 I78 L79 L80 L84 Q85 F86L52-I82 HydrophobicContact CB-CD1 3.81Å; L52-I82 HydrophobicContact CB-CG1 3.51Å; L52-I82 HydrophobicContact CD1-CG1 3.92Å; L52-I82 HydrophobicContact CG-CG1 4.38Å; L53-I82 HydrophobicContact CD2-CD1 3.94Å; L53-I82 HydrophobicContact CD2-CG2 4.14Å; L53-I82 HydrophobicContact CG-CD1 4.11Å; L53-I82 HydrophobicContact CG-CG2 4.11Å; W56-I82 HydrophobicContact CE3-CD1 4.08Å; W56-I82 HydrophobicContact CZ3-CD1 3.95Å; I78-I82 HydrophobicContact CG2-CD1 3.91Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CG1 3.46Å; I78-I82 PolarHBondContact O-N 3.32Å; L79-I82 PolarHBondContact O-N 2.94Å; L80-I82 PolarHBondContact O-N 3.22Å; I82-L84 PolarHBondContact O-N 3.45Å; I82-Q85 PolarHBondContact O-N 3.17Å; I82-F86 HydrophobicContact CG2-CD2 3.65Å; I82-F86 HydrophobicContact CG2-CE2 3.64Å; I82-F86 WeakPolarHBondContact O-CD2 3.24Å; I82-F86 PolarHBondContact O-N 3.28Å
83C98.4Very high97.8Very high64 Ų6440.6 Ų40.643%0.43222%0.219SC..Hα-helixtrans-60.9-45.9-178.5-73.30000112.3L79 L80 T87L79-C83 WeakPolarHBondContact O-CB 3.43Å; L79-C83 PolarHBondContact O-N 2.98Å; L79-C83 PolarHBondContact O-SG 3.39Å; L79-C83 VanDerWaalsContact O-SG 3.36Å; L80-C83 PolarHBondContact O-N 3.13Å; C83-T87 WeakPolarHBondContact O-CB 3.35Å; C83-T87 PolarHBondContact O-N 3.47Å; C83-T87 PolarHBondContact O-OG1 3.39Å
84L98.5Very high97.8Very high40 Ų4037.2 Ų37.221%0.20922%0.219CC..Hα-helixtrans-64.1-42.4179.4-69.8173.7000111.4L80 N81 I82 G88 I104 T108 I111L80-L84 HydrophobicContact CD1-CD1 3.98Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CD2-CD1 4.48Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.3Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.97Å; N81-L84 PolarHBondContact O-N 2.89Å; I82-L84 PolarHBondContact O-N 3.45Å; L84-G88 PolarHBondContact O-N 2.95Å; L84-I104 HydrophobicContact CB-CG2 3.85Å; L84-I104 HydrophobicContact CD2-CG2 3.9Å; L84-I104 HydrophobicContact CG-CG2 4.47Å; L84-I104 WeakPolarHBondContact O-CG2 3.43Å; L84-T108 HydrophobicContact CB-CG2 3.27Å; L84-T108 HydrophobicContact CD1-CG2 3.94Å; L84-T108 HydrophobicContact CG-CG2 4.24Å; L84-I111 HydrophobicContact CD1-CD1 4.23Å
85Q98.4Very high97.5Very high2 Ų241.2 Ų41.21%0.00923%0.234CC..Hα-helixtrans-67.6-45.9-179-73-171.584.600112.9F45 D48 N81 I82 S89 T108F45-Q85 VanDerWaalsContact CA-OE1 3.27Å; F45-Q85 HydrophobicContact CB-CB 4.3Å; F45-Q85 HydrophobicContact CB-CG 4.37Å; F45-Q85 HydrophobicContact CD1-CG 4.31Å; F45-Q85 PolarHBondContact O-OE1 3.44Å; F45-Q85 VanDerWaalsContact O-OE1 3.09Å; D48-Q85 PolarHBondContact OD2-NE2 3.2Å; D48-Q85 PolarHBondContact OD2-OE1 2.89Å; D48-Q85 VanDerWaalsContact OD2-OE1 3.13Å; N81-Q85 WeakPolarHBondContact O-CB 3.38Å; N81-Q85 WeakPolarHBondContact O-CG 3.25Å; N81-Q85 PolarHBondContact O-N 2.85Å; I82-Q85 PolarHBondContact O-N 3.17Å; Q85-S89 WeakPolarHBondContact O-CB 3.38Å; Q85-S89 PolarHBondContact O-N 3.39Å; Q85-S89 PolarHBondContact O-OG 3.43Å; Q85-T108 HydrophobicContact CG-CG2 3.97Å
86F98.6Very high97.2Very high58 Ų5847.5 Ų47.525%0.25425%0.254SS..Hα-helixtrans-66.8-42.1176.4-74.5-50.7000111.9I46 F50 L53 I82 S89 A90I46-F86 HydrophobicContact CG2-CE1 4.37Å; F50-F86 HydrophobicContact CD1-CZ 4.23Å; F50-F86 HydrophobicContact CD2-CE1 4.15Å; F50-F86 HydrophobicContact CD2-CZ 4.23Å; F50-F86 HydrophobicContact CE1-CZ 4.35Å; F50-F86 HydrophobicContact CE2-CE1 4.05Å; F50-F86 HydrophobicContact CE2-CZ 4.35Å; F50-F86 HydrophobicContact CG-CZ 4.16Å; F50-F86 HydrophobicContact CZ-CE1 4.34Å; F50-F86 HydrophobicContact CZ-CZ 4.41Å; L53-F86 HydrophobicContact CD1-CE2 3.63Å; L53-F86 HydrophobicContact CD1-CZ 3.98Å; L53-F86 HydrophobicContact CG-CE2 4.39Å; I82-F86 HydrophobicContact CG2-CD2 3.65Å; I82-F86 HydrophobicContact CG2-CE2 3.64Å; I82-F86 WeakPolarHBondContact O-CD2 3.24Å; I82-F86 PolarHBondContact O-N 3.28Å; F86-S89 PolarHBondContact O-N 2.87Å; F86-A90 WeakPolarHBondContact O-CB 3.46Å; F86-A90 PolarHBondContact O-N 2.9Å
87T98.4Very high97.1Very high74 Ų7448.8 Ų48.845%0.45426%0.255SS..Hα-helixtrans-64.2-48.4177.8-580000111C83 S89 A90 L91 I104C83-T87 WeakPolarHBondContact O-CB 3.35Å; C83-T87 PolarHBondContact O-N 3.47Å; C83-T87 PolarHBondContact O-OG1 3.39Å; T87-S89 VanDerWaalsContact C-N 3.35Å; T87-S89 PolarHBondContact O-N 3.42Å; T87-A90 PolarHBondContact O-N 2.86Å; T87-L91 HydrophobicContact CG2-CD1 4.15Å; T87-L91 HydrophobicContact CG2-CG 4.5Å; T87-L91 VanDerWaalsContact O-CG 3.28Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.46Å; T87-I104 HydrophobicContact CG2-CD1 4.24Å
88G98.4Very high97Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-58.8-45.7177.900000112.1L84 L91 V92L84-G88 PolarHBondContact O-N 2.95Å; G88-L91 PolarHBondContact O-N 3.4Å; G88-V92 WeakPolarHBondContact O-CG2 3.28Å; G88-V92 PolarHBondContact O-N 3.36Å; G88-V92 VanDerWaalsContact O-N 3.13Å
89S98.3Very high96.9Very high2 Ų253.5 Ų53.51%0.01428%0.277CS..Hα-helixtrans-65.8-42.7178-58.20000112.3Q85 F86 T87 L91 V92 L93Q85-S89 WeakPolarHBondContact O-CB 3.38Å; Q85-S89 PolarHBondContact O-N 3.39Å; Q85-S89 PolarHBondContact O-OG 3.43Å; F86-S89 PolarHBondContact O-N 2.87Å; T87-S89 VanDerWaalsContact C-N 3.35Å; T87-S89 PolarHBondContact O-N 3.42Å; S89-L91 PolarHBondContact O-N 2.88Å; S89-V92 PolarHBondContact O-N 3.17Å; S89-L93 WeakPolarHBondContact O-CB 3.44Å; S89-L93 WeakPolarHBondContact O-CG 3.39Å; S89-L93 PolarHBondContact O-N 3.31Å
90A98.3Very high96.8Very high60 Ų6054.1 Ų54.150%0.49628%0.279SS..Hα-helixtrans-63-41.9177.600000112.2F86 T87 V92 G94F86-A90 WeakPolarHBondContact O-CB 3.46Å; F86-A90 PolarHBondContact O-N 2.9Å; T87-A90 PolarHBondContact O-N 2.86Å; A90-V92 PolarHBondContact O-N 3.28Å; A90-G94 WeakPolarHBondContact O-CA 3.45Å; A90-G94 PolarHBondContact O-N 3.4Å
91L98Very high96.8Very high30 Ų3051 Ų5116%0.15726%0.263CS..Hα-helixtrans-62.6-41.6175.5-70.6174.5000112T87 G88 S89 R95 Y96 I100 I104T87-L91 HydrophobicContact CG2-CD1 4.15Å; T87-L91 HydrophobicContact CG2-CG 4.5Å; T87-L91 VanDerWaalsContact O-CG 3.28Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.46Å; G88-L91 PolarHBondContact O-N 3.4Å; S89-L91 PolarHBondContact O-N 2.88Å; L91-R95 PolarHBondContact O-N 2.65Å; L91-Y96 CarbonylContact C-O 3.57Å; L91-Y96 WeakPolarHBondContact CB-O 3.43Å; L91-Y96 HydrophobicContact CD2-CD1 3.7Å; L91-Y96 HydrophobicContact CD2-CE1 4.48Å; L91-Y96 WeakPolarHBondContact CD2-O 3.38Å; L91-Y96 PolarHBondContact O-N 3.09Å; L91-Y96 VanDerWaalsContact O-O 3.07Å; L91-I100 HydrophobicContact CD1-CG2 4.32Å; L91-I104 HydrophobicContact CD1-CD1 4.01Å
92V97.6Very high96.8Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-67.1-48.9177.91700000111.6R38 V42 G88 S89 A90 R95 V98 V102 L105 L137R38-V92 HydrophobicContact CB-CG1 4.23Å; R38-V92 HydrophobicContact CG-CG1 4.36Å; V42-V92 HydrophobicContact CG1-CB 3.83Å; V42-V92 HydrophobicContact CG1-CG1 3.49Å; V42-V92 VanDerWaalsContact CG1-CG1 3.49Å; V42-V92 HydrophobicContact CG1-CG2 4.28Å; G88-V92 WeakPolarHBondContact O-CG2 3.28Å; G88-V92 PolarHBondContact O-N 3.36Å; G88-V92 VanDerWaalsContact O-N 3.13Å; S89-V92 PolarHBondContact O-N 3.17Å; A90-V92 PolarHBondContact O-N 3.28Å; V92-R95 PolarHBondContact O-N 3.29Å; V92-V98 HydrophobicContact CG2-CG1 4.16Å; V92-V102 HydrophobicContact CG2-CG2 4.12Å; V92-L105 HydrophobicContact CG2-CD1 4.09Å; V92-L137 HydrophobicContact CB-CD2 4.47Å; V92-L137 HydrophobicContact CG1-CD2 3.54Å; V92-L137 HydrophobicContact CG2-CD2 4.03Å
93L96.9Very high96.8Very high64 Ų6451.8 Ų51.834%0.33527%0.274SS..Hα-helixtrans-68-43.1-179.2-70.3-179.8000112.4F39 V42 I46 S89 R95F39-L93 HydrophobicContact CB-CD2 4.07Å; F39-L93 HydrophobicContact CD2-CD1 4.41Å; F39-L93 HydrophobicContact CD2-CD2 4.22Å; V42-L93 HydrophobicContact CG2-CD1 3.92Å; V42-L93 HydrophobicContact CG2-CD2 3.71Å; V42-L93 HydrophobicContact CG2-CG 3.71Å; I46-L93 HydrophobicContact CD1-CD1 3.79Å; S89-L93 WeakPolarHBondContact O-CB 3.44Å; S89-L93 WeakPolarHBondContact O-CG 3.39Å; S89-L93 PolarHBondContact O-N 3.31Å; L93-R95 PolarHBondContact O-N 3.26Å
94G95.2Very high96.8Very high54 Ų5450.2 Ų50.256%0.55726%0.261SS*.THydrogen-bonded Turntrans-71.5-2.3177.100000113.9A90 Y96A90-G94 WeakPolarHBondContact O-CA 3.45Å; A90-G94 PolarHBondContact O-N 3.4Å; G94-Y96 PolarHBondContact O-N 3.2Å
95R91.8Very high96.8Very high84 Ų8448.3 Ų48.332%0.31725%0.251SS..THydrogen-bonded Turntrans53.124.4-174.6-51.4-158.5160.1-142.62.4113.6H35 R38 L91 V92 L93 E144H35-R95 PolarHBondContact CE1-NE 2.72Å; H35-R95 PolarHBondContact CE1-NH2 3.4Å; H35-R95 VanDerWaalsContact CE1-NH2 3.35Å; H35-R95 PolarHBondContact NE2-NH2 2.93Å; R38-R95 VanDerWaalsContact NH1-CD 3.32Å; R38-R95 VanDerWaalsContact NH1-NE 3.18Å; L91-R95 PolarHBondContact O-N 2.65Å; V92-R95 PolarHBondContact O-N 3.29Å; L93-R95 PolarHBondContact O-N 3.26Å; R95-E144 IonicContact CZ-OE1 3.46Å; R95-E144 IonicContact NH1-OE1 2.8Å; R95-E144 PolarHBondContact NH1-OE1 3.46Å; R95-E144 IonicContact NH1-OE2 2.74Å; R95-E144 PolarHBondContact NH1-OE2 2.97Å
96Y91.2Very high96.7Very high155 Ų15550.1 Ų50.161%0.60826%0.26SS*.SBendtrans-105120.9-177.4-176.9-109000109.3L91 G94 V98L91-Y96 CarbonylContact C-O 3.57Å; L91-Y96 WeakPolarHBondContact CB-O 3.43Å; L91-Y96 HydrophobicContact CD2-CD1 3.7Å; L91-Y96 HydrophobicContact CD2-CE1 4.48Å; L91-Y96 WeakPolarHBondContact CD2-O 3.38Å; L91-Y96 PolarHBondContact O-N 3.09Å; L91-Y96 VanDerWaalsContact O-O 3.07Å; G94-Y96 PolarHBondContact O-N 3.2Å; Y96-V98 PolarHBondContact O-N 3.21Å; Y96-V98 VanDerWaalsContact O-N 3.14Å
97R93.7Very high96.7Very high161 Ų16150 Ų5061%0.60827%0.266SS*.SBendtrans47.843.9-179-61-68.3-173.2176.80.8113.1K99 I100 G101R97-K99 PolarHBondContact O-N 3.28Å; R97-I100 HydrophobicContact CB-CB 4.33Å; R97-I100 HydrophobicContact CB-CD1 4.04Å; R97-I100 HydrophobicContact CB-CG1 4.29Å; R97-I100 HydrophobicContact CG-CD1 4.36Å; R97-I100 WeakPolarHBondContact O-CA 3.27Å; R97-I100 WeakPolarHBondContact O-CB 3.46Å; R97-I100 PolarHBondContact O-N 3.01Å; R97-G101 PolarHBondContact O-N 3.25Å
98V95.3Very high96.6Very high10 Ų1046.5 Ų46.56%0.06125%0.245CC..Hα-helixtrans-52.1-36.4-173.1-1740000113.2V92 Y96 I100 G101 V102 L137 V141V92-V98 HydrophobicContact CG2-CG1 4.16Å; Y96-V98 PolarHBondContact O-N 3.21Å; Y96-V98 VanDerWaalsContact O-N 3.14Å; V98-I100 VanDerWaalsContact C-N 3.28Å; V98-I100 PolarHBondContact O-N 3.23Å; V98-G101 PolarHBondContact O-N 3.38Å; V98-G101 VanDerWaalsContact O-N 3.13Å; V98-V102 HydrophobicContact CG1-CG2 4.09Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 2.84Å; V98-L137 HydrophobicContact CG1-CD1 4.37Å; V98-L137 HydrophobicContact CG1-CG 4.4Å; V98-V141 HydrophobicContact CB-CG1 4.33Å; V98-V141 HydrophobicContact CB-CG2 3.71Å; V98-V141 HydrophobicContact CG1-CG2 3.45Å; V98-V141 VanDerWaalsContact CG1-CG2 3.45Å; V98-V141 HydrophobicContact CG2-CG2 4.43Å
99K95.6Very high96.5Very high104 Ų10446.9 Ų46.945%0.45225%0.247SC..Hα-helixtrans-57.1-40.5175.4-64-177.2-180174.10112.9R97 G103 L138 V141R97-K99 PolarHBondContact O-N 3.28Å; K99-G103 PolarHBondContact O-N 3.45Å; K99-L138 HydrophobicContact CB-CD1 4.29Å; K99-L138 HydrophobicContact CG-CD1 4Å; K99-V141 HydrophobicContact CG-CG1 3.84Å
100I96.9Very high96.3Very high99 Ų9951.2 Ų51.251%0.50827%0.269SS..Hα-helixtrans-69-45.7175.9-57.9-179.7000109.2L91 R97 V98 V102 G103 I104L91-I100 HydrophobicContact CD1-CG2 4.32Å; R97-I100 HydrophobicContact CB-CB 4.33Å; R97-I100 HydrophobicContact CB-CD1 4.04Å; R97-I100 HydrophobicContact CB-CG1 4.29Å; R97-I100 HydrophobicContact CG-CD1 4.36Å; R97-I100 WeakPolarHBondContact O-CA 3.27Å; R97-I100 WeakPolarHBondContact O-CB 3.46Å; R97-I100 PolarHBondContact O-N 3.01Å; V98-I100 VanDerWaalsContact C-N 3.28Å; V98-I100 PolarHBondContact O-N 3.23Å; I100-V102 VanDerWaalsContact C-N 3.34Å; I100-V102 PolarHBondContact O-N 2.93Å; I100-G103 PolarHBondContact O-N 3.42Å; I100-G103 VanDerWaalsContact O-N 3.12Å; I100-I104 HydrophobicContact CG2-CD1 3.96Å; I100-I104 HydrophobicContact CG2-CG1 4.42Å; I100-I104 WeakPolarHBondContact O-CG1 3.48Å; I100-I104 PolarHBondContact O-N 3.06Å
101G98Very high96.2Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-56-46.3176.400000112.9R97 V98 I104 L105R97-G101 PolarHBondContact O-N 3.25Å; V98-G101 PolarHBondContact O-N 3.38Å; V98-G101 VanDerWaalsContact O-N 3.13Å; G101-I104 WeakPolarHBondContact O-CB 3.45Å; G101-I104 PolarHBondContact O-N 3.32Å; G101-L105 WeakPolarHBondContact O-CG 3.45Å; G101-L105 PolarHBondContact O-N 3.13Å
102V97.7Very high96Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-63-42.6175.1173.20000111.5V92 V98 I100 I104 L105 M106 L134 L137 L138V92-V102 HydrophobicContact CG2-CG2 4.12Å; V98-V102 HydrophobicContact CG1-CG2 4.09Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 2.84Å; I100-V102 VanDerWaalsContact C-N 3.34Å; I100-V102 PolarHBondContact O-N 2.93Å; V102-I104 VanDerWaalsContact C-N 3.31Å; V102-I104 PolarHBondContact O-N 3.22Å; V102-L105 PolarHBondContact O-N 3.01Å; V102-M106 HydrophobicContact CG1-CE 3.85Å; V102-M106 HydrophobicContact CG1-CG 4.41Å; V102-M106 HydrophobicContact CG1-SD 4.24Å; V102-M106 WeakPolarHBondContact O-CG 3.43Å; V102-M106 PolarHBondContact O-N 3.17Å; V102-L134 HydrophobicContact CG1-CB 4.12Å; V102-L134 HydrophobicContact CG1-CD2 4.3Å; V102-L137 HydrophobicContact CG2-CB 4.43Å; V102-L137 HydrophobicContact CG2-CD2 3.6Å; V102-L137 HydrophobicContact CG2-CG 3.77Å; V102-L138 HydrophobicContact CG1-CB 4.21Å
103G97.8Very high95.8Very high27 Ų2751.4 Ų51.428%0.27826%0.261SS..Hα-helixtrans-60.2-38.8174.700000113.3K99 I100 S107K99-G103 PolarHBondContact O-N 3.45Å; I100-G103 PolarHBondContact O-N 3.42Å; I100-G103 VanDerWaalsContact O-N 3.12Å; G103-S107 WeakPolarHBondContact O-CB 3.41Å; G103-S107 PolarHBondContact O-N 2.85Å; G103-S107 PolarHBondContact O-OG 3.46Å
104I98.4Very high95.5Very high31 Ų3154 Ų5416%0.15927%0.274CS..Hα-helixtrans-64.4-50.9174.1-70.6168.3000110.2L84 T87 L91 I100 G101 V102 M106 S107 T108L84-I104 HydrophobicContact CB-CG2 3.85Å; L84-I104 HydrophobicContact CD2-CG2 3.9Å; L84-I104 HydrophobicContact CG-CG2 4.47Å; L84-I104 WeakPolarHBondContact O-CG2 3.43Å; T87-I104 HydrophobicContact CG2-CD1 4.24Å; L91-I104 HydrophobicContact CD1-CD1 4.01Å; I100-I104 HydrophobicContact CG2-CD1 3.96Å; I100-I104 HydrophobicContact CG2-CG1 4.42Å; I100-I104 WeakPolarHBondContact O-CG1 3.48Å; I100-I104 PolarHBondContact O-N 3.06Å; G101-I104 WeakPolarHBondContact O-CB 3.45Å; G101-I104 PolarHBondContact O-N 3.32Å; V102-I104 VanDerWaalsContact C-N 3.31Å; V102-I104 PolarHBondContact O-N 3.22Å; I104-M106 VanDerWaalsContact C-N 3.35Å; I104-M106 PolarHBondContact O-N 3.35Å; I104-S107 WeakPolarHBondContact O-CA 3.46Å; I104-S107 WeakPolarHBondContact O-CB 3.34Å; I104-S107 PolarHBondContact O-N 3.49Å; I104-S107 VanDerWaalsContact O-N 3.1Å; I104-T108 PolarHBondContact O-N 3.21Å
105L98.3Very high95.4Very high0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-64.7-35.6-179-65.1179.5000112.9V42 F45 V92 G101 V102 S107 T108 V109 L134V42-L105 HydrophobicContact CG1-CD1 3.93Å; F45-L105 HydrophobicContact CB-CD2 3.91Å; F45-L105 HydrophobicContact CD1-CD2 3.88Å; F45-L105 HydrophobicContact CD2-CD1 3.95Å; F45-L105 HydrophobicContact CD2-CD2 4.01Å; F45-L105 HydrophobicContact CD2-CG 4.38Å; F45-L105 HydrophobicContact CE1-CB 4.29Å; F45-L105 HydrophobicContact CE1-CD2 4.41Å; F45-L105 HydrophobicContact CE2-CB 4.25Å; F45-L105 HydrophobicContact CE2-CD1 4.15Å; F45-L105 HydrophobicContact CG-CD1 4.46Å; F45-L105 HydrophobicContact CG-CD2 3.66Å; F45-L105 HydrophobicContact CG-CG 4.48Å; F45-L105 HydrophobicContact CZ-CB 4.12Å; V92-L105 HydrophobicContact CG2-CD1 4.09Å; G101-L105 WeakPolarHBondContact O-CG 3.45Å; G101-L105 PolarHBondContact O-N 3.13Å; V102-L105 PolarHBondContact O-N 3.01Å; L105-S107 VanDerWaalsContact C-N 3.34Å; L105-T108 WeakPolarHBondContact CA-OG1 3.31Å; L105-T108 PolarHBondContact O-N 3.46Å; L105-T108 PolarHBondContact O-OG1 3.41Å; L105-V109 WeakPolarHBondContact O-CG2 3.25Å; L105-V109 PolarHBondContact O-N 3.2Å; L105-L134 HydrophobicContact CB-CD1 3.9Å; L105-L134 HydrophobicContact CB-CD2 3.93Å; L105-L134 HydrophobicContact CD1-CD2 3.94Å
106M97.7Very high95.4Very high40 Ų4048.2 Ų48.220%0.19724%0.236CC..Hα-helixtrans-65.7-41.1172.6-71.6-175-60.300111.1V102 I104 T108 V109 L110 L134 L135V102-M106 HydrophobicContact CG1-CE 3.85Å; V102-M106 HydrophobicContact CG1-CG 4.41Å; V102-M106 HydrophobicContact CG1-SD 4.24Å; V102-M106 WeakPolarHBondContact O-CG 3.43Å; V102-M106 PolarHBondContact O-N 3.17Å; I104-M106 VanDerWaalsContact C-N 3.35Å; I104-M106 PolarHBondContact O-N 3.35Å; M106-T108 VanDerWaalsContact C-N 3.32Å; M106-T108 PolarHBondContact O-N 2.88Å; M106-V109 PolarHBondContact O-N 3.25Å; M106-L110 WeakPolarHBondContact O-CG 3.36Å; M106-L110 PolarHBondContact O-N 3.12Å; M106-L134 HydrophobicContact CB-CD1 4.48Å; M106-L134 HydrophobicContact CG-CB 3.93Å; M106-L134 HydrophobicContact CG-CD1 3.64Å; M106-L134 HydrophobicContact CG-CG 4.4Å; M106-L134 HydrophobicContact SD-CB 4.41Å; M106-L135 HydrophobicContact SD-CD2 4.15Å
107S96.9Very high95.3Very high56 Ų5645.4 Ų45.439%0.39223%0.232SC..Hα-helixtrans-61.7-39.6175.5-58.20000111.7G103 I104 L105 L110 I111G103-S107 WeakPolarHBondContact O-CB 3.41Å; G103-S107 PolarHBondContact O-N 2.85Å; G103-S107 PolarHBondContact O-OG 3.46Å; I104-S107 WeakPolarHBondContact O-CA 3.46Å; I104-S107 WeakPolarHBondContact O-CB 3.34Å; I104-S107 PolarHBondContact O-N 3.49Å; I104-S107 VanDerWaalsContact O-N 3.1Å; L105-S107 VanDerWaalsContact C-N 3.34Å; S107-L110 PolarHBondContact O-N 2.88Å; S107-I111 VanDerWaalsContact O-CB 3.31Å; S107-I111 WeakPolarHBondContact O-CB 3.41Å; S107-I111 WeakPolarHBondContact O-CG1 3.48Å; S107-I111 PolarHBondContact O-N 3.05Å
108T96.9Very high94.9Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-64.3-41.7177.4560000112L84 Q85 I104 L105 M106 L110 I111 Q112L84-T108 HydrophobicContact CB-CG2 3.27Å; L84-T108 HydrophobicContact CD1-CG2 3.94Å; L84-T108 HydrophobicContact CG-CG2 4.24Å; Q85-T108 HydrophobicContact CG-CG2 3.97Å; I104-T108 PolarHBondContact O-N 3.21Å; L105-T108 WeakPolarHBondContact CA-OG1 3.31Å; L105-T108 PolarHBondContact O-N 3.46Å; L105-T108 PolarHBondContact O-OG1 3.41Å; M106-T108 VanDerWaalsContact C-N 3.32Å; M106-T108 PolarHBondContact O-N 2.88Å; T108-L110 VanDerWaalsContact C-N 3.29Å; T108-L110 PolarHBondContact O-N 3.44Å; T108-I111 PolarHBondContact O-N 3.46Å; T108-Q112 WeakPolarHBondContact O-CB 3.49Å; T108-Q112 VanDerWaalsContact O-CG 3.29Å; T108-Q112 WeakPolarHBondContact O-CG 3.2Å; T108-Q112 PolarHBondContact O-N 3.1Å
109V96.2Very high94.4Very high7 Ų747.1 Ų47.14%0.04224%0.241CC..Hα-helixtrans-56.2-45.7174.8177.30000110.9F45 L105 M106 T113 N127 L130 I131F45-V109 HydrophobicContact CE1-CG2 3.63Å; F45-V109 HydrophobicContact CZ-CG2 3.81Å; L105-V109 WeakPolarHBondContact O-CG2 3.25Å; L105-V109 PolarHBondContact O-N 3.2Å; M106-V109 PolarHBondContact O-N 3.25Å; V109-T113 WeakPolarHBondContact O-CB 3.43Å; V109-T113 PolarHBondContact O-N 3.33Å; V109-T113 PolarHBondContact O-OG1 3.21Å; V109-N127 HydrophobicContact CG1-CB 3.62Å; V109-L130 HydrophobicContact CG2-CB 4.49Å; V109-L130 HydrophobicContact CG2-CD1 4.49Å; V109-I131 HydrophobicContact CB-CG1 4.39Å; V109-I131 HydrophobicContact CG1-CD1 4.08Å; V109-I131 HydrophobicContact CG1-CG1 4.09Å
110L94.6Very high94.1Very high94 Ų9446 Ų4649%0.49224%0.242SC..Hα-helixtrans-68.7-47.7-179.6-64.1175.7000112.2M106 S107 T108 Q112 T113 I114 I131M106-L110 WeakPolarHBondContact O-CG 3.36Å; M106-L110 PolarHBondContact O-N 3.12Å; S107-L110 PolarHBondContact O-N 2.88Å; T108-L110 VanDerWaalsContact C-N 3.29Å; T108-L110 PolarHBondContact O-N 3.44Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-Q112 PolarHBondContact O-N 3.28Å; L110-T113 PolarHBondContact O-N 3.48Å; L110-I114 WeakPolarHBondContact O-CG1 3.17Å; L110-I114 PolarHBondContact O-N 3.14Å; L110-I131 HydrophobicContact CD2-CD1 4.1Å
111I94.8Very high93.7Very high58 Ų5849.8 Ų49.830%0.29726%0.255SS..Hα-helixtrans-60-43.7179.5-72168.1000110.5F77 L84 S107 T108 G115F77-I111 HydrophobicContact CD2-CG2 4.33Å; F77-I111 HydrophobicContact CE2-CG2 3.46Å; F77-I111 VanDerWaalsContact CE2-CG2 3.46Å; F77-I111 HydrophobicContact CZ-CG2 4.1Å; L84-I111 HydrophobicContact CD1-CD1 4.23Å; S107-I111 VanDerWaalsContact O-CB 3.31Å; S107-I111 WeakPolarHBondContact O-CB 3.41Å; S107-I111 WeakPolarHBondContact O-CG1 3.48Å; S107-I111 PolarHBondContact O-N 3.05Å; T108-I111 PolarHBondContact O-N 3.46Å; I111-G115 WeakPolarHBondContact O-CA 3.43Å; I111-G115 PolarHBondContact O-N 2.86Å
112Q94.7Very high93.2Very high24 Ų2452.9 Ų52.911%0.11227%0.274CS..Hα-helixtrans-67.7-43176.4-71.4-166.241.200112.1D48 N81 T108 L110 I114 G115 Y116D48-Q112 PolarHBondContact OD2-NE2 3.18Å; D48-Q112 PolarHBondContact OD2-OE1 3.39Å; N81-Q112 WeakPolarHBondContact OD1-CG 3.43Å; T108-Q112 WeakPolarHBondContact O-CB 3.49Å; T108-Q112 VanDerWaalsContact O-CG 3.29Å; T108-Q112 WeakPolarHBondContact O-CG 3.2Å; T108-Q112 PolarHBondContact O-N 3.1Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-Q112 PolarHBondContact O-N 3.28Å; Q112-I114 VanDerWaalsContact C-N 3.26Å; Q112-I114 PolarHBondContact O-N 3.36Å; Q112-G115 PolarHBondContact O-N 3.22Å; Q112-Y116 HydrophobicContact CB-CD2 4.13Å; Q112-Y116 HydrophobicContact CB-CE2 4.43Å; Q112-Y116 HydrophobicContact CG-CD2 4.46Å; Q112-Y116 HydrophobicContact CG-CE2 4.27Å; Q112-Y116 WeakPolarHBondContact O-CB 3.42Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.43Å; Q112-Y116 PolarHBondContact O-N 2.89Å
113T93.1Very high92.8Very high12 Ų1254.5 Ų54.57%0.07428%0.281CS..Hα-helixtrans-56.9-44.3179-57.50000111.1V109 L110 N117 F123 N127V109-T113 WeakPolarHBondContact O-CB 3.43Å; V109-T113 PolarHBondContact O-N 3.33Å; V109-T113 PolarHBondContact O-OG1 3.21Å; L110-T113 PolarHBondContact O-N 3.48Å; T113-N117 PolarHBondContact O-N 3.15Å; T113-F123 HydrophobicContact CG2-CE1 4.41Å; T113-N127 PolarHBondContact OG1-ND2 3.37Å
114I92Very high92.5Very high118 Ų11857.5 Ų57.561%0.60529%0.287SS*.Hα-helixtrans-72.2-46.8177.7-63.6167.6000110.6L110 Q112 N117L110-I114 WeakPolarHBondContact O-CG1 3.17Å; L110-I114 PolarHBondContact O-N 3.14Å; Q112-I114 VanDerWaalsContact C-N 3.26Å; Q112-I114 PolarHBondContact O-N 3.36Å; I114-N117 PolarHBondContact O-N 3.29Å
115G92.2Very high92.2Very high2 Ų258.2 Ų58.22%0.02129%0.29CS..Hα-helixtrans-67.1-43.2-172.500000113.9W67 I111 Q112 N117W67-G115 PolarHBondContact NE1-O 3.29Å; I111-G115 WeakPolarHBondContact O-CA 3.43Å; I111-G115 PolarHBondContact O-N 2.86Å; Q112-G115 PolarHBondContact O-N 3.22Å; G115-N117 VanDerWaalsContact C-N 3.29Å
116Y91.9Very high92Very high15 Ų1559.1 Ų59.16%0.05929%0.293CS..Hα-helixtrans-78.4-13.5176.2-75.5-92000113L52 Q59 Y62 I63 F77 I78 Q112 I118L52-Y116 VanDerWaalsContact CD2-OH 3.28Å; L52-Y116 WeakPolarHBondContact CD2-OH 3.34Å; Q59-Y116 PolarHBondContact OE1-OH 3.16Å; Y62-Y116 AromaticContact CD1-CD1 3.61Å; Y62-Y116 HydrophobicContact CD1-CD1 3.61Å; Y62-Y116 AromaticContact CD1-CE1 3.92Å; Y62-Y116 HydrophobicContact CD1-CE1 3.92Å; Y62-Y116 AromaticContact CE1-CD1 3.47Å; Y62-Y116 HydrophobicContact CE1-CD1 3.47Å; Y62-Y116 VanDerWaalsContact CE1-CD1 3.47Å; Y62-Y116 HydrophobicContact CE1-CE1 4.25Å; Y62-Y116 HydrophobicContact CE1-CG 4.33Å; Y62-Y116 PolarHBondContact OH-O 3.44Å; I63-Y116 HydrophobicContact CD1-CD1 3.9Å; I63-Y116 HydrophobicContact CD1-CD2 4.24Å; I63-Y116 HydrophobicContact CD1-CE1 3.92Å; I63-Y116 HydrophobicContact CD1-CE2 4.28Å; I63-Y116 HydrophobicContact CD1-CG 4.04Å; I63-Y116 HydrophobicContact CG1-CE1 4.32Å; F77-Y116 HydrophobicContact CE1-CD2 4.31Å; F77-Y116 AromaticContact CE1-CE2 3.94Å; F77-Y116 HydrophobicContact CE1-CE2 3.94Å; I78-Y116 VanDerWaalsContact CD1-OH 3.25Å; I78-Y116 WeakPolarHBondContact CD1-OH 3.42Å; Q112-Y116 HydrophobicContact CB-CD2 4.13Å; Q112-Y116 HydrophobicContact CB-CE2 4.43Å; Q112-Y116 HydrophobicContact CG-CD2 4.46Å; Q112-Y116 HydrophobicContact CG-CE2 4.27Å; Q112-Y116 WeakPolarHBondContact O-CB 3.42Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.43Å; Q112-Y116 PolarHBondContact O-N 2.89Å; Y116-I118 PolarHBondContact O-N 2.84Å
117N88.7Confident91.8Very high95 Ų9557.8 Ų57.851%0.50829%0.287SS..THydrogen-bonded Turntrans55.132.8178.7-156.1-16.8000113.7V66 T113 I114 G115 W119V66-N117 HydrophobicContact CG1-CB 3.81Å; T113-N117 PolarHBondContact O-N 3.15Å; I114-N117 PolarHBondContact O-N 3.29Å; G115-N117 VanDerWaalsContact C-N 3.29Å; N117-W119 PolarHBondContact O-N 3.23Å; N117-W119 PolarHBondContact OD1-NE1 3.44Å; N117-W119 VanDerWaalsContact OD1-NE1 3.12Å
118I85.9Confident91.7Very high53 Ų5357.4 Ų57.427%0.27228%0.28SS..  trans-92.592178.8-58.6171.9000108.8Y116 T120 F123Y116-I118 PolarHBondContact O-N 2.84Å; I118-T120 HydrophobicContact CG2-CG2 4.21Å; I118-T120 PolarHBondContact O-N 2.87Å; I118-F123 HydrophobicContact CB-CD1 4.03Å; I118-F123 HydrophobicContact CB-CE1 4.07Å; I118-F123 HydrophobicContact CB-CG 4.43Å; I118-F123 HydrophobicContact CG2-CB 4.05Å; I118-F123 HydrophobicContact CG2-CD1 3.92Å; I118-F123 HydrophobicContact CG2-CD2 4.34Å; I118-F123 HydrophobicContact CG2-CE1 4.4Å; I118-F123 HydrophobicContact CG2-CG 3.86Å; I118-F123 WeakPolarHBondContact O-CD1 3.28Å
119W83.8Confident91.7Very high155 Ų15557.4 Ų57.459%0.58728%0.28SS*.  trans-97.229.3-178-67.492.3000114.3N117 F124N117-W119 PolarHBondContact O-N 3.23Å; N117-W119 PolarHBondContact OD1-NE1 3.44Å; N117-W119 VanDerWaalsContact OD1-NE1 3.12Å; W119-F124 HydrophobicContact CZ3-CD2 4.33Å; W119-F124 HydrophobicContact CZ3-CE2 4.31Å
120T89Confident91.7Very high79 Ų7957.3 Ų57.349%0.48528%0.28SS..  trans-67.7142.9174.969.50000110I118 V122 F123 F124I118-T120 HydrophobicContact CG2-CG2 4.21Å; I118-T120 PolarHBondContact O-N 2.87Å; T120-V122 PolarHBondContact O-N 3.27Å; T120-F123 PolarHBondContact O-N 3.1Å; T120-F123 WeakPolarHBondContact OG1-CB 3.43Å; T120-F123 PolarHBondContact OG1-N 2.79Å; T120-F124 WeakPolarHBondContact O-CB 3.22Å; T120-F124 PolarHBondContact O-N 2.94Å
121K89.1Confident91.8Very high180 Ų18054.1 Ų54.178%0.78326%0.263SS*.Hα-helixtrans-55.3-41.9-179.7-67-179.6-179.5177.40111.8F124 M125K121-F124 PolarHBondContact O-N 3.1Å; K121-M125 WeakPolarHBondContact O-CB 3.21Å; K121-M125 WeakPolarHBondContact O-CG 3.32Å; K121-M125 PolarHBondContact O-N 3.42Å
122V88.3Confident91.9Very high65 Ų6551.4 Ų51.439%0.39425%0.249SC..Hα-helixtrans-63.3-49.5179.5174.90000111T120 F124 M125 R126 T178T120-V122 PolarHBondContact O-N 3.27Å; V122-F124 PolarHBondContact O-N 3.13Å; V122-M125 PolarHBondContact O-N 3.3Å; V122-R126 WeakPolarHBondContact O-CB 3.38Å; V122-R126 WeakPolarHBondContact O-CG 3.36Å; V122-R126 PolarHBondContact O-N 3.23Å; V122-T178 HydrophobicContact CG1-CG2 4.17Å
123F88Confident92Very high33 Ų3350.2 Ų50.215%0.14524%0.243CC..Hα-helixtrans-62.6-43.5179.4-174.7-101.7000111.8T113 I118 T120 M125 R126 N127 Y244T113-F123 HydrophobicContact CG2-CE1 4.41Å; I118-F123 HydrophobicContact CB-CD1 4.03Å; I118-F123 HydrophobicContact CB-CE1 4.07Å; I118-F123 HydrophobicContact CB-CG 4.43Å; I118-F123 HydrophobicContact CG2-CB 4.05Å; I118-F123 HydrophobicContact CG2-CD1 3.92Å; I118-F123 HydrophobicContact CG2-CD2 4.34Å; I118-F123 HydrophobicContact CG2-CE1 4.4Å; I118-F123 HydrophobicContact CG2-CG 3.86Å; I118-F123 WeakPolarHBondContact O-CD1 3.28Å; T120-F123 PolarHBondContact O-N 3.1Å; T120-F123 WeakPolarHBondContact OG1-CB 3.43Å; T120-F123 PolarHBondContact OG1-N 2.79Å; F123-M125 PolarHBondContact O-N 3.45Å; F123-R126 PolarHBondContact O-N 3.44Å; F123-N127 WeakPolarHBondContact CD1-ND2 3.43Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.36Å; F123-N127 VanDerWaalsContact CZ-ND2 3.32Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.16Å; F123-N127 PolarHBondContact O-N 2.7Å; F123-Y244 WeakPolarHBondContact CD2-OH 3.4Å
124F91.1Very high92.2Very high91 Ų9149.7 Ų49.740%0.39924%0.24SC..Hα-helixtrans-60.2-46176.8-175.5-106.3000112.3W119 T120 K121 V122 R126 N127 L128W119-F124 HydrophobicContact CZ3-CD2 4.33Å; W119-F124 HydrophobicContact CZ3-CE2 4.31Å; T120-F124 WeakPolarHBondContact O-CB 3.22Å; T120-F124 PolarHBondContact O-N 2.94Å; K121-F124 PolarHBondContact O-N 3.1Å; V122-F124 PolarHBondContact O-N 3.13Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 3.08Å; F124-N127 PolarHBondContact O-N 2.91Å; F124-L128 HydrophobicContact CD1-CD1 3.9Å; F124-L128 HydrophobicContact CD1-CG 4.48Å; F124-L128 HydrophobicContact CE1-CD1 3.4Å; F124-L128 HydrophobicContact CE1-CG 4.16Å; F124-L128 HydrophobicContact CZ-CD1 3.8Å; F124-L128 HydrophobicContact CZ-CD2 4.46Å; F124-L128 HydrophobicContact CZ-CG 4.2Å; F124-L128 WeakPolarHBondContact O-CG 3.31Å; F124-L128 PolarHBondContact O-N 3.14Å
125M92.8Very high92.4Very high46 Ų4645.8 Ų45.823%0.22722%0.22CC..Hα-helixtrans-63.6-38.4176.9-72.1177.29500112.5K121 V122 F123 S129 L174 V177 T178K121-M125 WeakPolarHBondContact O-CB 3.21Å; K121-M125 WeakPolarHBondContact O-CG 3.32Å; K121-M125 PolarHBondContact O-N 3.42Å; V122-M125 PolarHBondContact O-N 3.3Å; F123-M125 PolarHBondContact O-N 3.45Å; M125-S129 WeakPolarHBondContact O-CB 3.37Å; M125-S129 PolarHBondContact O-N 3.45Å; M125-L174 HydrophobicContact CB-CB 4.17Å; M125-L174 HydrophobicContact CE-CB 4.4Å; M125-L174 HydrophobicContact CE-CD2 3.75Å; M125-V177 HydrophobicContact CE-CB 3.68Å; M125-V177 HydrophobicContact CE-CG1 3.63Å; M125-V177 HydrophobicContact CE-CG2 4.32Å; M125-T178 HydrophobicContact CB-CG2 3.57Å; M125-T178 HydrophobicContact CG-CG2 4.45Å; M125-T178 HydrophobicContact SD-CG2 4.13Å
126R93.4Very high92.6Very high18 Ų1846 Ų467%0.06822%0.221CC..Hα-helixtrans-65.8-43.4175.7-75.1-177.3154.7168.4-11.9112.1V122 F123 F124 S129 L130 M175 T178 D245V122-R126 WeakPolarHBondContact O-CB 3.38Å; V122-R126 WeakPolarHBondContact O-CG 3.36Å; V122-R126 PolarHBondContact O-N 3.23Å; F123-R126 PolarHBondContact O-N 3.44Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 3.08Å; R126-S129 WeakPolarHBondContact O-CB 3.31Å; R126-S129 PolarHBondContact O-N 3.3Å; R126-S129 VanDerWaalsContact O-N 3.17Å; R126-L130 PolarHBondContact O-N 3.38Å; R126-M175 HydrophobicContact CB-CE 4.42Å; R126-M175 HydrophobicContact CG-CE 4.1Å; R126-M175 HydrophobicContact CG-SD 3.88Å; R126-T178 HydrophobicContact CG-CG2 4.26Å; R126-D245 IonicContact CZ-OD1 3.48Å; R126-D245 VanDerWaalsContact CZ-OD1 3.26Å; R126-D245 IonicContact CZ-OD2 3.26Å; R126-D245 IonicContact NH1-OD1 2.66Å; R126-D245 PolarHBondContact NH1-OD1 3.37Å; R126-D245 IonicContact NH1-OD2 3.86Å; R126-D245 PolarHBondContact NH1-OD2 3.16Å; R126-D245 IonicContact NH2-OD1 2.72Å; R126-D245 PolarHBondContact NH2-OD1 3.33Å; R126-D245 IonicContact NH2-OD2 3.23Å; R126-D245 PolarHBondContact NH2-OD2 2.89Å
127N93.8Very high92.7Very high12 Ų1245.3 Ų45.36%0.06422%0.218CC..Hα-helixtrans-65.1-40.7176.2-74-13.1000112.5V109 T113 F123 F124 S129 L130 I131V109-N127 HydrophobicContact CG1-CB 3.62Å; T113-N127 PolarHBondContact OG1-ND2 3.37Å; F123-N127 WeakPolarHBondContact CD1-ND2 3.43Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.36Å; F123-N127 VanDerWaalsContact CZ-ND2 3.32Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.16Å; F123-N127 PolarHBondContact O-N 2.7Å; F124-N127 PolarHBondContact O-N 2.91Å; N127-S129 VanDerWaalsContact C-N 3.31Å; N127-S129 PolarHBondContact O-N 3.11Å; N127-L130 PolarHBondContact O-N 2.84Å; N127-I131 WeakPolarHBondContact O-CG1 3.26Å; N127-I131 PolarHBondContact O-N 2.89Å
128L95.4Very high93Very high49 Ų4942.1 Ų42.126%0.25720%0.201SC..Hα-helixtrans-61.7-40.2172.1-75-179.2000111.9F124 I131 G132 L171 L174F124-L128 HydrophobicContact CD1-CD1 3.9Å; F124-L128 HydrophobicContact CD1-CG 4.48Å; F124-L128 HydrophobicContact CE1-CD1 3.4Å; F124-L128 HydrophobicContact CE1-CG 4.16Å; F124-L128 HydrophobicContact CZ-CD1 3.8Å; F124-L128 HydrophobicContact CZ-CD2 4.46Å; F124-L128 HydrophobicContact CZ-CG 4.2Å; F124-L128 WeakPolarHBondContact O-CG 3.31Å; F124-L128 PolarHBondContact O-N 3.14Å; L128-I131 PolarHBondContact O-N 3.11Å; L128-G132 PolarHBondContact O-N 3.16Å; L128-L171 HydrophobicContact CB-CD2 4.26Å; L128-L174 HydrophobicContact CB-CD1 3.48Å; L128-L174 VanDerWaalsContact CB-CD1 3.48Å; L128-L174 HydrophobicContact CD1-CD1 3.69Å; L128-L174 HydrophobicContact CG-CD1 4.26Å
129S96.1Very high93.3Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-63.5-39.9174.5-176.40000112.6M125 R126 N127 G132 S133 L171 I172 M175 V252M125-S129 WeakPolarHBondContact O-CB 3.37Å; M125-S129 PolarHBondContact O-N 3.45Å; R126-S129 WeakPolarHBondContact O-CB 3.31Å; R126-S129 PolarHBondContact O-N 3.3Å; R126-S129 VanDerWaalsContact O-N 3.17Å; N127-S129 VanDerWaalsContact C-N 3.31Å; N127-S129 PolarHBondContact O-N 3.11Å; S129-G132 WeakPolarHBondContact O-CA 3.43Å; S129-G132 PolarHBondContact O-N 2.93Å; S129-G132 VanDerWaalsContact O-N 3.14Å; S129-S133 PolarHBondContact O-N 2.98Å; S129-S133 PolarHBondContact O-OG 2.85Å; S129-L171 WeakPolarHBondContact CA-O 3.49Å; S129-I172 WeakPolarHBondContact OG-CA 3.17Å; S129-M175 WeakPolarHBondContact OG-CB 3.48Å; S129-V252 WeakPolarHBondContact OG-CG2 3.32Å
130L96.1Very high93.5Very high5 Ų532.5 Ų32.53%0.02616%0.162CC..Hα-helixtrans-62.2-43.7174.6-75.9-175.8000112T44 V109 R126 N127 G132 S133 L134 Q248 S251T44-L130 HydrophobicContact CG2-CD1 4.34Å; T44-L130 HydrophobicContact CG2-CD2 3.96Å; V109-L130 HydrophobicContact CG2-CB 4.49Å; V109-L130 HydrophobicContact CG2-CD1 4.49Å; R126-L130 PolarHBondContact O-N 3.38Å; N127-L130 PolarHBondContact O-N 2.84Å; L130-G132 PolarHBondContact O-N 3.3Å; L130-S133 PolarHBondContact O-N 2.64Å; L130-L134 WeakPolarHBondContact O-CG 3.5Å; L130-L134 PolarHBondContact O-N 2.92Å; L130-Q248 VanDerWaalsContact CD1-NE2 3.28Å; L130-S251 VanDerWaalsContact CD2-CB 3.45Å; L130-S251 VanDerWaalsContact CD2-OG 3.27Å; L130-S251 WeakPolarHBondContact CD2-OG 3.37Å
131I97.1Very high93.5Very high27 Ų2729.3 Ų29.314%0.13814%0.142CC..Hα-helixtrans-59.2-41.5172.4-67.3167.8000109.8V109 L110 N127 L128 S133 L134 L135 L171V109-I131 HydrophobicContact CB-CG1 4.39Å; V109-I131 HydrophobicContact CG1-CD1 4.08Å; V109-I131 HydrophobicContact CG1-CG1 4.09Å; L110-I131 HydrophobicContact CD2-CD1 4.1Å; N127-I131 WeakPolarHBondContact O-CG1 3.26Å; N127-I131 PolarHBondContact O-N 2.89Å; L128-I131 PolarHBondContact O-N 3.11Å; I131-S133 PolarHBondContact O-N 3.35Å; I131-L134 PolarHBondContact O-N 2.96Å; I131-L135 HydrophobicContact CG2-CD1 4.25Å; I131-L135 HydrophobicContact CG2-CG 4.33Å; I131-L135 WeakPolarHBondContact O-CG 3.41Å; I131-L135 PolarHBondContact O-N 3.2Å; I131-L171 HydrophobicContact CG2-CD1 4.41Å
132G96.6Very high93.2Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-54.2-49.917300000113.3L128 S129 L130 L134 L135 L136 G168L128-G132 PolarHBondContact O-N 3.16Å; S129-G132 WeakPolarHBondContact O-CA 3.43Å; S129-G132 PolarHBondContact O-N 2.93Å; S129-G132 VanDerWaalsContact O-N 3.14Å; L130-G132 PolarHBondContact O-N 3.3Å; G132-L134 VanDerWaalsContact C-N 3.35Å; G132-L134 PolarHBondContact O-N 3.4Å; G132-L135 PolarHBondContact O-N 2.86Å; G132-L136 WeakPolarHBondContact O-CG 3.47Å; G132-L136 PolarHBondContact O-N 3.42Å; G132-L136 VanDerWaalsContact O-N 3.1Å; G132-G168 WeakPolarHBondContact O-CA 3.48Å
133S96.9Very high92.6Very high0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-60.2-42.8175.5-65.20000112.2L41 S129 L130 I131 L135 L136 L137L41-S133 WeakPolarHBondContact CD1-O 3.48Å; S129-S133 PolarHBondContact O-N 2.98Å; S129-S133 PolarHBondContact O-OG 2.85Å; L130-S133 PolarHBondContact O-N 2.64Å; I131-S133 PolarHBondContact O-N 3.35Å; S133-L135 PolarHBondContact O-N 3.41Å; S133-L136 WeakPolarHBondContact O-CB 3.21Å; S133-L136 PolarHBondContact O-N 3.26Å; S133-L137 PolarHBondContact O-N 3.43Å; S133-L137 VanDerWaalsContact O-N 3.14Å
134L97.5Very high91.6Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-64.9-36.2176.7-75.7169.5000112.7L41 F45 V102 L105 M106 L130 I131 G132 L136 L137 L138L41-L134 HydrophobicContact CD2-CD2 3.56Å; L41-L134 HydrophobicContact CD2-CG 4.17Å; F45-L134 HydrophobicContact CE2-CD1 4.18Å; F45-L134 HydrophobicContact CE2-CD2 4.36Å; F45-L134 HydrophobicContact CE2-CG 4.5Å; F45-L134 HydrophobicContact CZ-CD1 3.79Å; V102-L134 HydrophobicContact CG1-CB 4.12Å; V102-L134 HydrophobicContact CG1-CD2 4.3Å; L105-L134 HydrophobicContact CB-CD1 3.9Å; L105-L134 HydrophobicContact CB-CD2 3.93Å; L105-L134 HydrophobicContact CD1-CD2 3.94Å; M106-L134 HydrophobicContact CB-CD1 4.48Å; M106-L134 HydrophobicContact CG-CB 3.93Å; M106-L134 HydrophobicContact CG-CD1 3.64Å; M106-L134 HydrophobicContact CG-CG 4.4Å; M106-L134 HydrophobicContact SD-CB 4.41Å; L130-L134 WeakPolarHBondContact O-CG 3.5Å; L130-L134 PolarHBondContact O-N 2.92Å; I131-L134 PolarHBondContact O-N 2.96Å; G132-L134 VanDerWaalsContact C-N 3.35Å; G132-L134 PolarHBondContact O-N 3.4Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L137 WeakPolarHBondContact O-CB 3.37Å; L134-L137 PolarHBondContact O-N 3.46Å; L134-L138 PolarHBondContact O-N 3.12Å
135L96.7Very high90Very high36 Ų3622.3 Ų22.319%0.18811%0.114CC..Hα-helixtrans-64.8-38.5173.3-71.8175.8000111.6M106 I131 G132 S133 L137 L138 A139 I164 L171M106-L135 HydrophobicContact SD-CD2 4.15Å; I131-L135 HydrophobicContact CG2-CD1 4.25Å; I131-L135 HydrophobicContact CG2-CG 4.33Å; I131-L135 WeakPolarHBondContact O-CG 3.41Å; I131-L135 PolarHBondContact O-N 3.2Å; G132-L135 PolarHBondContact O-N 2.86Å; S133-L135 PolarHBondContact O-N 3.41Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 2.92Å; L135-L138 HydrophobicContact CD2-CD2 4.41Å; L135-L138 WeakPolarHBondContact O-CB 3.25Å; L135-L138 PolarHBondContact O-N 3.2Å; L135-L138 VanDerWaalsContact O-N 3.12Å; L135-A139 PolarHBondContact O-N 3.13Å; L135-I164 HydrophobicContact CB-CG2 3.92Å; L135-I164 HydrophobicContact CD2-CG2 4.2Å; L135-I164 WeakPolarHBondContact O-CG2 3.37Å; L135-L171 HydrophobicContact CD1-CD1 3.86Å
136L95.5Very high88.2Confident7 Ų725.5 Ų25.54%0.03712%0.124CC..Hα-helixtrans-61.6-40.7174-64.8169.9000111.5G132 S133 L134 A139 E140 L165 R169 I172 V259G132-L136 WeakPolarHBondContact O-CG 3.47Å; G132-L136 PolarHBondContact O-N 3.42Å; G132-L136 VanDerWaalsContact O-N 3.1Å; S133-L136 WeakPolarHBondContact O-CB 3.21Å; S133-L136 PolarHBondContact O-N 3.26Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L136-A139 PolarHBondContact O-N 2.8Å; L136-E140 PolarHBondContact O-N 3.17Å; L136-L165 HydrophobicContact CD2-CD2 3.99Å; L136-L165 HydrophobicContact CD2-CG 4.21Å; L136-R169 HydrophobicContact CD2-CG 4.01Å; L136-I172 HydrophobicContact CD1-CD1 4.08Å; L136-I172 HydrophobicContact CD1-CG2 4.13Å; L136-V259 HydrophobicContact CD1-CG2 3.86Å; L136-V259 HydrophobicContact CD2-CG2 4.07Å
137L95.7Very high86.4Confident0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-63.9-39.2171.6177.557.9000112.4R38 L41 V92 V98 V102 S133 L134 L135 A139 E140 V141 L258R38-L137 HydrophobicContact CG-CD1 3.8Å; L41-L137 HydrophobicContact CD1-CB 3.93Å; L41-L137 HydrophobicContact CD1-CD2 4.17Å; L41-L137 HydrophobicContact CD2-CD2 4.24Å; V92-L137 HydrophobicContact CB-CD2 4.47Å; V92-L137 HydrophobicContact CG1-CD2 3.54Å; V92-L137 HydrophobicContact CG2-CD2 4.03Å; V98-L137 HydrophobicContact CG1-CD1 4.37Å; V98-L137 HydrophobicContact CG1-CG 4.4Å; V102-L137 HydrophobicContact CG2-CB 4.43Å; V102-L137 HydrophobicContact CG2-CD2 3.6Å; V102-L137 HydrophobicContact CG2-CG 3.77Å; S133-L137 PolarHBondContact O-N 3.43Å; S133-L137 VanDerWaalsContact O-N 3.14Å; L134-L137 WeakPolarHBondContact O-CB 3.37Å; L134-L137 PolarHBondContact O-N 3.46Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 2.92Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 3.3Å; L137-E140 WeakPolarHBondContact CD1-OE2 3.49Å; L137-E140 WeakPolarHBondContact O-CB 3.35Å; L137-E140 PolarHBondContact O-N 2.96Å; L137-V141 WeakPolarHBondContact O-CG2 3.11Å; L137-V141 PolarHBondContact O-N 2.94Å; L137-L258 HydrophobicContact CB-CD1 3.74Å; L137-L258 HydrophobicContact CD1-CD1 4.14Å
138L94.3Very high84.6Confident29 Ų2935.5 Ų35.515%0.15218%0.184CC..Hα-helixtrans-63.4-41.2175.5-172.162.7000111.9K99 V102 L134 L135 E140 V141 Q142 I164K99-L138 HydrophobicContact CB-CD1 4.29Å; K99-L138 HydrophobicContact CG-CD1 4Å; V102-L138 HydrophobicContact CG1-CB 4.21Å; L134-L138 PolarHBondContact O-N 3.12Å; L135-L138 HydrophobicContact CD2-CD2 4.41Å; L135-L138 WeakPolarHBondContact O-CB 3.25Å; L135-L138 PolarHBondContact O-N 3.2Å; L135-L138 VanDerWaalsContact O-N 3.12Å; L138-E140 VanDerWaalsContact C-N 3.35Å; L138-V141 PolarHBondContact O-N 2.95Å; L138-Q142 WeakPolarHBondContact O-CG 3.47Å; L138-Q142 PolarHBondContact O-N 3.14Å; L138-I164 HydrophobicContact CB-CG2 4.48Å; L138-I164 HydrophobicContact CD2-CD1 4.21Å
139A91.5Very high82.6Confident2 Ų239.1 Ų39.12%0.01720%0.203CC..Hα-helixtrans-63.9-38.9176.500000112.1L135 L136 L137 Q142 Q143 R161 I164 L165L135-A139 PolarHBondContact O-N 3.13Å; L136-A139 PolarHBondContact O-N 2.8Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 3.3Å; A139-Q142 PolarHBondContact O-N 3.34Å; A139-Q143 PolarHBondContact O-N 3.46Å; A139-R161 HydrophobicContact CB-CG 4.14Å; A139-I164 HydrophobicContact CB-CB 4.39Å; A139-I164 HydrophobicContact CB-CG2 3.87Å; A139-L165 HydrophobicContact CB-CB 4.16Å; A139-L165 HydrophobicContact CB-CD1 4.48Å; A139-L165 HydrophobicContact CB-CG 4.26Å
140E89.3Confident80.7Confident4 Ų443.7 Ų43.72%0.01924%0.241CC..Hα-helixtrans-56.6-52.5173.3-179.6-157-171.400111.3R38 L136 L137 L138 Q142 Q143 E144 Y262R38-E140 IonicContact CZ-OE1 2.95Å; R38-E140 IonicContact CZ-OE2 3.99Å; R38-E140 IonicContact NE-OE1 3.02Å; R38-E140 PolarHBondContact NE-OE1 2.97Å; R38-E140 IonicContact NE-OE2 3.49Å; R38-E140 PolarHBondContact NE-OE2 3.47Å; R38-E140 IonicContact NH2-OE1 3.34Å; R38-E140 PolarHBondContact NH2-OE1 3.49Å; R38-E140 IonicContact NH2-OE2 2.9Å; R38-E140 PolarHBondContact NH2-OE2 3.26Å; L136-E140 PolarHBondContact O-N 3.17Å; L137-E140 WeakPolarHBondContact CD1-OE2 3.49Å; L137-E140 WeakPolarHBondContact O-CB 3.35Å; L137-E140 PolarHBondContact O-N 2.96Å; L138-E140 VanDerWaalsContact C-N 3.35Å; E140-Q142 PolarHBondContact O-N 3.25Å; E140-Q143 WeakPolarHBondContact O-CA 3.4Å; E140-Q143 VanDerWaalsContact O-CB 3.3Å; E140-Q143 WeakPolarHBondContact O-CB 3.4Å; E140-Q143 PolarHBondContact O-N 3.46Å; E140-E144 PolarHBondContact O-N 2.72Å; E140-E144 VanDerWaalsContact O-N 3.15Å; E140-Y262 HydrophobicContact CB-CD2 4.45Å; E140-Y262 HydrophobicContact CB-CE2 4.37Å; E140-Y262 VanDerWaalsContact CD-CE2 3.47Å; E140-Y262 HydrophobicContact CG-CD2 3.84Å; E140-Y262 HydrophobicContact CG-CE1 4.14Å; E140-Y262 HydrophobicContact CG-CE2 3.35Å; E140-Y262 HydrophobicContact CG-CG 4.43Å; E140-Y262 VanDerWaalsContact CG-CZ 3.5Å; E140-Y262 WeakPolarHBondContact OE1-CE2 3.47Å; E140-Y262 PolarHBondContact OE1-OH 2.84Å
141V87.6Confident78.7Confident12 Ų1246.9 Ų46.97%0.07328%0.276CS..Hα-helixtrans-62.6-32-174.9176.30000111.6V98 K99 L137 L138 Q143 T145V98-V141 HydrophobicContact CB-CG1 4.33Å; V98-V141 HydrophobicContact CB-CG2 3.71Å; V98-V141 HydrophobicContact CG1-CG2 3.45Å; V98-V141 VanDerWaalsContact CG1-CG2 3.45Å; V98-V141 HydrophobicContact CG2-CG2 4.43Å; K99-V141 HydrophobicContact CG-CG1 3.84Å; L137-V141 WeakPolarHBondContact O-CG2 3.11Å; L137-V141 PolarHBondContact O-N 2.94Å; L138-V141 PolarHBondContact O-N 2.95Å; V141-Q143 VanDerWaalsContact C-N 3.26Å; V141-Q143 PolarHBondContact O-N 3.23Å; V141-T145 PolarHBondContact O-N 3.37Å; V141-T145 PolarHBondContact O-OG1 2.92Å
142Q83.8Confident76.5Confident26 Ų2652.4 Ų52.412%0.12131%0.305CS..Hα-helixtrans-66.4-26.3173.7-69.6-178.7-4.600112.9L138 A139 E140 R161L138-Q142 WeakPolarHBondContact O-CG 3.47Å; L138-Q142 PolarHBondContact O-N 3.14Å; A139-Q142 PolarHBondContact O-N 3.34Å; E140-Q142 PolarHBondContact O-N 3.25Å; Q142-R161 HydrophobicContact CB-CG 4.35Å; Q142-R161 VanDerWaalsContact OE1-CB 3.31Å
143Q75.6Confident74.3Confident70 Ų7057.8 Ų57.833%0.32734%0.34SS..Hα-helixtrans-77.9-47.9174.3-177174-11.500111.9A139 E140 V141 T145 R146 S147A139-Q143 PolarHBondContact O-N 3.46Å; E140-Q143 WeakPolarHBondContact O-CA 3.4Å; E140-Q143 VanDerWaalsContact O-CB 3.3Å; E140-Q143 WeakPolarHBondContact O-CB 3.4Å; E140-Q143 PolarHBondContact O-N 3.46Å; V141-Q143 VanDerWaalsContact C-N 3.26Å; V141-Q143 PolarHBondContact O-N 3.23Å; Q143-T145 VanDerWaalsContact C-N 3.28Å; Q143-T145 PolarHBondContact O-N 2.9Å; Q143-R146 PolarHBondContact O-N 2.61Å; Q143-R146 VanDerWaalsContact O-N 3.16Å; Q143-S147 PolarHBondContact O-N 3.44Å
144E66.7Low72.2Confident56 Ų5663 Ų6326%0.26238%0.376SS..Hα-helixtrans-58.9-38.7-179.9-70.4-171147.500112.1R38 R95 E140 R146 S147 Y262R38-E144 IonicContact CZ-OE2 3.32Å; R38-E144 IonicContact NH2-OE1 3.37Å; R38-E144 PolarHBondContact NH2-OE1 3.48Å; R38-E144 IonicContact NH2-OE2 3.54Å; R38-E144 PolarHBondContact NH2-OE2 2.94Å; R95-E144 IonicContact CZ-OE1 3.46Å; R95-E144 IonicContact NH1-OE1 2.8Å; R95-E144 PolarHBondContact NH1-OE1 3.46Å; R95-E144 IonicContact NH1-OE2 2.74Å; R95-E144 PolarHBondContact NH1-OE2 2.97Å; E140-E144 PolarHBondContact O-N 2.72Å; E140-E144 VanDerWaalsContact O-N 3.15Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 3.46Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 PolarHBondContact O-OG 2.9Å; E144-Y262 PolarHBondContact OE1-OH 3.19Å
145T58.4Low69.7Low69 Ų6968.5 Ų68.542%0.42342%0.415SS..Hα-helixtrans-62.6-32.8-179.7-51.20000112.3V141 Q143V141-T145 PolarHBondContact O-N 3.37Å; V141-T145 PolarHBondContact O-OG1 2.92Å; Q143-T145 VanDerWaalsContact C-N 3.28Å; Q143-T145 PolarHBondContact O-N 2.9Å
146R55.2Low67.7Low114 Ų11469 Ų6943%0.4343%0.428SS..Hα-helixtrans-82.6-32-178.8-78.3-167.5175.6-171.5-0.9113.1Q143 E144 L148 L149 G156Q143-R146 PolarHBondContact O-N 2.61Å; Q143-R146 VanDerWaalsContact O-N 3.16Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 3.46Å; R146-L148 PolarHBondContact O-N 2.96Å; R146-L148 VanDerWaalsContact O-N 3.16Å; R146-L149 PolarHBondContact O-N 3Å; R146-G156 PolarHBondContact NH1-O 3.32Å
147S54.5Low65.9Low86 Ų8672.9 Ų72.960%0.60145%0.446SS*.Hα-helixtrans-62.4-20.5176.7450000113.5Q143 E144Q143-S147 PolarHBondContact O-N 3.44Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 PolarHBondContact O-OG 2.9Å
148L55.3Low64.5Low153 Ų15374.7 Ų74.780%0.80146%0.456SS*.THydrogen-bonded Turntrans-79.6-21174.5-65.5174.5000113.3R146 A150R146-L148 PolarHBondContact O-N 2.96Å; R146-L148 VanDerWaalsContact O-N 3.16Å; L148-A150 PolarHBondContact O-N 2.95Å
149L53.8Low63.7Low125 Ų12576.9 Ų76.965%0.65447%0.47SS*.SBendtrans-9247.2176.9-69.3170.1000111.1R146 G151R146-L149 PolarHBondContact O-N 3Å; L149-G151 PolarHBondContact O-N 3.02Å
150A56.2Low63.3Low96 Ų9682.3 Ų82.379%0.79350%0.495SS*.THydrogen-bonded Turntrans-66.518.3-164.100000117.3L148L148-A150 PolarHBondContact O-N 2.95Å
151G55.2Low63.2Low73 Ų7384.1 Ų84.175%0.75350%0.502SS*.THydrogen-bonded Turntrans-119.9-13.2-176.200000115.9L149L149-G151 PolarHBondContact O-N 3.02Å
152L51.2Low63.1Low143 Ų14384.3 Ų84.375%0.74950%0.502SS*.SBendtrans-101.8131.8179.4-70.5163.4000109.1S154L152-S154 PolarHBondContact O-N 3.49Å; L152-S154 VanDerWaalsContact O-N 3.16Å
153P49.6Very low63.3Low113 Ų11390 Ų9073%0.73452%0.524SS*.  trans-52129.4172.722-31000107.5S155P153-S155 PolarHBondContact O-N 2.74Å
154S52.7Low64.1Low110 Ų11087.5 Ų87.577%0.76951%0.512SS*.  trans-65.174.1177.955.10000109.4L152 G156L152-S154 PolarHBondContact O-N 3.49Å; L152-S154 VanDerWaalsContact O-N 3.16Å; S154-G156 PolarHBondContact O-N 2.9Å; S154-G156 VanDerWaalsContact O-N 3.1Å
155S44.3Very low65.2Low115 Ų11585.5 Ų85.580%0.80450%0.503SS*.  trans-70.5106.7179.7-170.20000107.3P153P153-S155 PolarHBondContact O-N 2.74Å
156G54.8Low66.8Low46 Ų4684.3 Ų84.347%0.47449%0.494SS..SBendtrans87117.9-179.100000114.2R146 S154 N158R146-G156 PolarHBondContact NH1-O 3.32Å; S154-G156 PolarHBondContact O-N 2.9Å; S154-G156 VanDerWaalsContact O-N 3.1Å; G156-N158 PolarHBondContact O-N 3.27Å
157E57.5Low68.7Low89 Ų8980 Ų8042%0.41649%0.485SS..  trans-46.7127.4152.4-81.8-167.2100.200107.8T159 Q162 G266 K275E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 2.66Å; E157-Q162 PolarHBondContact OE1-NE2 3.23Å; E157-Q162 PolarHBondContact OE2-NE2 3.35Å; E157-Q162 VanDerWaalsContact OE2-NE2 3.09Å; E157-G266 WeakPolarHBondContact OE1-CA 3.4Å; E157-K275 IonicContact OE2-NZ 3.59Å
158N67.6Low70.6Confident37 Ų3776 Ų7620%0.19846%0.457CS..  trans-7094.1179.6-172.3-14000108.1G156 H160 R161 Q162G156-N158 PolarHBondContact O-N 3.27Å; N158-H160 PolarHBondContact O-N 3.34Å; N158-H160 VanDerWaalsContact O-N 3.15Å; N158-H160 WeakPolarHBondContact OD1-CB 3.46Å; N158-H160 PolarHBondContact OD1-N 3.41Å; N158-R161 HydrophobicContact CB-CB 3.92Å; N158-R161 WeakPolarHBondContact O-CA 3.39Å; N158-R161 WeakPolarHBondContact O-CB 3.36Å; N158-R161 PolarHBondContact O-N 3.46Å; N158-R161 PolarHBondContact OD1-N 3.29Å; N158-Q162 PolarHBondContact O-N 3.43Å; N158-Q162 VanDerWaalsContact O-N 3.12Å
159T77.5Confident72.4Confident75 Ų7568.7 Ų68.746%0.4642%0.419SS..Hα-helixtrans-53.2-38.1-177.3-36.20000110.7E157 R161 Q162 Y163E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 2.66Å; T159-R161 PolarHBondContact O-N 2.88Å; T159-Q162 WeakPolarHBondContact O-CB 3.49Å; T159-Q162 PolarHBondContact O-N 3.39Å; T159-Y163 HydrophobicContact CG2-CD2 4Å; T159-Y163 HydrophobicContact CG2-CE2 3.37Å; T159-Y163 WeakPolarHBondContact O-CD2 3.1Å; T159-Y163 PolarHBondContact O-N 3.13Å
160H83.3Confident74.4Confident116 Ų11666.9 Ų66.954%0.53741%0.409SS..Hα-helixtrans-62.1-43.5176.6-174.465.2000112.6N158 Q162 Y163 I164N158-H160 PolarHBondContact O-N 3.34Å; N158-H160 VanDerWaalsContact O-N 3.15Å; N158-H160 WeakPolarHBondContact OD1-CB 3.46Å; N158-H160 PolarHBondContact OD1-N 3.41Å; H160-Q162 VanDerWaalsContact C-N 3.32Å; H160-Q162 PolarHBondContact O-N 2.81Å; H160-Y163 PolarHBondContact O-N 3.14Å; H160-I164 WeakPolarHBondContact NE2-CD1 3.48Å; H160-I164 WeakPolarHBondContact O-CG1 3.41Å; H160-I164 PolarHBondContact O-N 3.06Å
161R85.4Confident76.3Confident43 Ų4364.1 Ų64.116%0.16238%0.381CS..Hα-helixtrans-60.1-43.6175-173.7-169.668.9-159.80.1111.2A139 Q142 N158 T159 Y163 I164 L165A139-R161 HydrophobicContact CB-CG 4.14Å; Q142-R161 HydrophobicContact CB-CG 4.35Å; Q142-R161 VanDerWaalsContact OE1-CB 3.31Å; N158-R161 HydrophobicContact CB-CB 3.92Å; N158-R161 WeakPolarHBondContact O-CA 3.39Å; N158-R161 WeakPolarHBondContact O-CB 3.36Å; N158-R161 PolarHBondContact O-N 3.46Å; N158-R161 PolarHBondContact OD1-N 3.29Å; T159-R161 PolarHBondContact O-N 2.88Å; R161-Y163 VanDerWaalsContact C-N 3.33Å; R161-Y163 PolarHBondContact O-N 3.12Å; R161-I164 PolarHBondContact O-N 3.1Å; R161-L165 WeakPolarHBondContact O-CB 3.38Å; R161-L165 PolarHBondContact O-N 3.02Å
162Q85.9Confident78.1Confident15 Ų1560.7 Ų60.77%0.0735%0.345CS..Hα-helixtrans-62.1-41.8-179.4-65.5174.7-29.400111.6E157 N158 T159 H160 L165 L166 V267E157-Q162 PolarHBondContact OE1-NE2 3.23Å; E157-Q162 PolarHBondContact OE2-NE2 3.35Å; E157-Q162 VanDerWaalsContact OE2-NE2 3.09Å; N158-Q162 PolarHBondContact O-N 3.43Å; N158-Q162 VanDerWaalsContact O-N 3.12Å; T159-Q162 WeakPolarHBondContact O-CB 3.49Å; T159-Q162 PolarHBondContact O-N 3.39Å; H160-Q162 VanDerWaalsContact C-N 3.32Å; H160-Q162 PolarHBondContact O-N 2.81Å; Q162-L165 PolarHBondContact O-N 3.04Å; Q162-L166 WeakPolarHBondContact O-CB 3.35Å; Q162-L166 PolarHBondContact O-N 3.33Å; Q162-V267 HydrophobicContact CB-CB 4.41Å; Q162-V267 HydrophobicContact CB-CG2 3.7Å; Q162-V267 HydrophobicContact CG-CG2 4.3Å
163Y88.6Confident80.2Confident147 Ų14755 Ų5558%0.57632%0.315SS*.Hα-helixtrans-67.2-39.1175.8-70.7-57.8000112.9T159 H160 R161 L165 L166 G167T159-Y163 HydrophobicContact CG2-CD2 4Å; T159-Y163 HydrophobicContact CG2-CE2 3.37Å; T159-Y163 WeakPolarHBondContact O-CD2 3.1Å; T159-Y163 PolarHBondContact O-N 3.13Å; H160-Y163 PolarHBondContact O-N 3.14Å; R161-Y163 VanDerWaalsContact C-N 3.33Å; R161-Y163 PolarHBondContact O-N 3.12Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; Y163-L165 PolarHBondContact O-N 3.05Å; Y163-L166 PolarHBondContact O-N 3.44Å; Y163-G167 PolarHBondContact O-N 2.77Å
164I92.1Very high82.2Confident17 Ų1751.6 Ų51.69%0.08729%0.29CS..Hα-helixtrans-60.3-44.6173.1-68.2169.6000110.2L135 L138 A139 H160 R161 G167 G168L135-I164 HydrophobicContact CB-CG2 3.92Å; L135-I164 HydrophobicContact CD2-CG2 4.2Å; L135-I164 WeakPolarHBondContact O-CG2 3.37Å; L138-I164 HydrophobicContact CB-CG2 4.48Å; L138-I164 HydrophobicContact CD2-CD1 4.21Å; A139-I164 HydrophobicContact CB-CB 4.39Å; A139-I164 HydrophobicContact CB-CG2 3.87Å; H160-I164 WeakPolarHBondContact NE2-CD1 3.48Å; H160-I164 WeakPolarHBondContact O-CG1 3.41Å; H160-I164 PolarHBondContact O-N 3.06Å; R161-I164 PolarHBondContact O-N 3.1Å; I164-G167 PolarHBondContact O-N 2.84Å; I164-G168 PolarHBondContact O-N 3.3Å
165L91.1Very high83.9Confident13 Ų1346.5 Ų46.57%0.06825%0.254CS..Hα-helixtrans-67.8-38.8-178.8-148.9166.2000111.4L136 A139 R161 Q162 Y163 R169 P264L136-L165 HydrophobicContact CD2-CD2 3.99Å; L136-L165 HydrophobicContact CD2-CG 4.21Å; A139-L165 HydrophobicContact CB-CB 4.16Å; A139-L165 HydrophobicContact CB-CD1 4.48Å; A139-L165 HydrophobicContact CB-CG 4.26Å; R161-L165 WeakPolarHBondContact O-CB 3.38Å; R161-L165 PolarHBondContact O-N 3.02Å; Q162-L165 PolarHBondContact O-N 3.04Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; Y163-L165 PolarHBondContact O-N 3.05Å; L165-R169 HydrophobicContact CD2-CG 4.05Å; L165-R169 WeakPolarHBondContact O-CB 3.42Å; L165-R169 VanDerWaalsContact O-CG 3.28Å; L165-R169 WeakPolarHBondContact O-CG 3.3Å; L165-R169 PolarHBondContact O-N 2.91Å; L165-R169 VanDerWaalsContact O-N 3.07Å; L165-R169 PolarHBondContact O-NE 2.98Å; L165-P264 WeakPolarHBondContact CD2-O 3.31Å
166L91.6Very high86Confident45 Ų4541.1 Ų41.124%0.23622%0.217CC..Hα-helixtrans-63.3-51.2171.7-178.966.8000111.6Q162 Y163 G168 R169 I170 V267Q162-L166 WeakPolarHBondContact O-CB 3.35Å; Q162-L166 PolarHBondContact O-N 3.33Å; Y163-L166 PolarHBondContact O-N 3.44Å; L166-G168 VanDerWaalsContact C-N 3.33Å; L166-G168 PolarHBondContact O-N 3.12Å; L166-R169 PolarHBondContact O-N 3.35Å; L166-R169 VanDerWaalsContact O-N 3.16Å; L166-I170 HydrophobicContact CD1-CD1 4.09Å; L166-I170 HydrophobicContact CD1-CG1 4.44Å; L166-I170 HydrophobicContact CG-CD1 3.87Å; L166-I170 WeakPolarHBondContact O-CG1 3.24Å; L166-I170 PolarHBondContact O-N 3.19Å; L166-V267 HydrophobicContact CD2-CG1 4Å
167G93.8Very high87.6Confident24 Ų2441.8 Ų41.825%0.24721%0.211CC..Hα-helixtrans-59.1-43.8179.200000112.2Y163 I164 R169 I170 L171Y163-G167 PolarHBondContact O-N 2.77Å; I164-G167 PolarHBondContact O-N 2.84Å; G167-R169 PolarHBondContact O-N 3.3Å; G167-I170 PolarHBondContact O-N 3.2Å; G167-L171 WeakPolarHBondContact O-CB 3.42Å; G167-L171 VanDerWaalsContact O-CG 3.3Å; G167-L171 WeakPolarHBondContact O-CG 3.32Å; G167-L171 PolarHBondContact O-N 2.79Å
168G94.4Very high88.8Confident0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-57.4-47.8173.800000112.3G132 I164 L166 I170 L171 I172G132-G168 WeakPolarHBondContact O-CA 3.48Å; I164-G168 PolarHBondContact O-N 3.3Å; L166-G168 VanDerWaalsContact C-N 3.33Å; L166-G168 PolarHBondContact O-N 3.12Å; G168-I170 PolarHBondContact O-N 3.3Å; G168-L171 PolarHBondContact O-N 2.8Å; G168-I172 WeakPolarHBondContact O-CG2 3.34Å; G168-I172 PolarHBondContact O-N 3.37Å; G168-I172 VanDerWaalsContact O-N 3.13Å
169R94.7Very high89.5Confident0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-64.9-34.8177.9-73.9-178.8-66156.3-3.5113.7L136 L165 L166 G167 I172 V202 A203 G205 V259 P264 V267L136-R169 HydrophobicContact CD2-CG 4.01Å; L165-R169 HydrophobicContact CD2-CG 4.05Å; L165-R169 WeakPolarHBondContact O-CB 3.42Å; L165-R169 VanDerWaalsContact O-CG 3.28Å; L165-R169 WeakPolarHBondContact O-CG 3.3Å; L165-R169 PolarHBondContact O-N 2.91Å; L165-R169 VanDerWaalsContact O-N 3.07Å; L165-R169 PolarHBondContact O-NE 2.98Å; L166-R169 PolarHBondContact O-N 3.35Å; L166-R169 VanDerWaalsContact O-N 3.16Å; G167-R169 PolarHBondContact O-N 3.3Å; R169-I172 WeakPolarHBondContact O-CG1 3.46Å; R169-V202 WeakPolarHBondContact CD-O 3.44Å; R169-V202 HydrophobicContact CG-CG1 4.49Å; R169-V202 PolarHBondContact NH1-O 3.23Å; R169-A203 PolarHBondContact NH1-O 3.11Å; R169-G205 VanDerWaalsContact NH1-CA 3.35Å; R169-V259 HydrophobicContact CG-CG2 4.39Å; R169-P264 PolarHBondContact NH2-O 2.79Å; R169-V267 PolarHBondContact NH2-O 3.31Å
170I95Very high89.6Confident87 Ų8737 Ų3745%0.44619%0.185SC..Hα-helixtrans-70-45.2176.6-68.4168.5000110.3L166 G167 G168 I172 I173L166-I170 HydrophobicContact CD1-CD1 4.09Å; L166-I170 HydrophobicContact CD1-CG1 4.44Å; L166-I170 HydrophobicContact CG-CD1 3.87Å; L166-I170 WeakPolarHBondContact O-CG1 3.24Å; L166-I170 PolarHBondContact O-N 3.19Å; G167-I170 PolarHBondContact O-N 3.2Å; G168-I170 PolarHBondContact O-N 3.3Å; I170-I172 PolarHBondContact O-N 3.39Å; I170-I173 VanDerWaalsContact O-CB 3.29Å; I170-I173 WeakPolarHBondContact O-CB 3.38Å; I170-I173 WeakPolarHBondContact O-CD1 3.46Å; I170-I173 VanDerWaalsContact O-CG1 3.3Å; I170-I173 WeakPolarHBondContact O-CG1 3.46Å; I170-I173 PolarHBondContact O-N 3.06Å
171L95.5Very high89.3Confident39 Ų3936.3 Ų36.320%0.20418%0.182CC..Hα-helixtrans-66.2-36.1-176.8-72.7173.3000112.7L128 S129 I131 L135 G167 G168 I173 L174L128-L171 HydrophobicContact CB-CD2 4.26Å; S129-L171 WeakPolarHBondContact CA-O 3.49Å; I131-L171 HydrophobicContact CG2-CD1 4.41Å; L135-L171 HydrophobicContact CD1-CD1 3.86Å; G167-L171 WeakPolarHBondContact O-CB 3.42Å; G167-L171 VanDerWaalsContact O-CG 3.3Å; G167-L171 WeakPolarHBondContact O-CG 3.32Å; G167-L171 PolarHBondContact O-N 2.79Å; G168-L171 PolarHBondContact O-N 2.8Å; L171-I173 PolarHBondContact O-N 3.44Å; L171-L174 HydrophobicContact CD2-CD1 4.04Å; L171-L174 VanDerWaalsContact O-CB 3.25Å; L171-L174 WeakPolarHBondContact O-CB 3.43Å; L171-L174 VanDerWaalsContact O-CG 3.31Å; L171-L174 WeakPolarHBondContact O-CG 3.44Å; L171-L174 PolarHBondContact O-N 3.44Å
172I94.1Very high88.3Confident0 Ų041.8 Ų41.80%021%0.214CC..THydrogen-bonded Turntrans-65.8-18.917861.2171.6000113.7S129 L136 G168 R169 I170 L174 M175 F176 I199 L256S129-I172 WeakPolarHBondContact OG-CA 3.17Å; L136-I172 HydrophobicContact CD1-CD1 4.08Å; L136-I172 HydrophobicContact CD1-CG2 4.13Å; G168-I172 WeakPolarHBondContact O-CG2 3.34Å; G168-I172 PolarHBondContact O-N 3.37Å; G168-I172 VanDerWaalsContact O-N 3.13Å; R169-I172 WeakPolarHBondContact O-CG1 3.46Å; I170-I172 PolarHBondContact O-N 3.39Å; I172-L174 PolarHBondContact O-N 3.23Å; I172-M175 PolarHBondContact O-N 2.79Å; I172-F176 WeakPolarHBondContact O-CD2 3.47Å; I172-I199 HydrophobicContact CD1-CD1 3.73Å; I172-I199 HydrophobicContact CG1-CD1 4.02Å; I172-L256 HydrophobicContact CD1-CD2 3.67Å; I172-L256 HydrophobicContact CD1-CG 4.29Å
173I94.2Very high87.1Confident25 Ų2545.1 Ų45.113%0.12825%0.252CS..Hα-helixtrans-59.3-33.8172.7-55.9165.9000110.2I170 L171 M175 F176 V177 L196 I199 L200 A203I170-I173 VanDerWaalsContact O-CB 3.29Å; I170-I173 WeakPolarHBondContact O-CB 3.38Å; I170-I173 WeakPolarHBondContact O-CD1 3.46Å; I170-I173 VanDerWaalsContact O-CG1 3.3Å; I170-I173 WeakPolarHBondContact O-CG1 3.46Å; I170-I173 PolarHBondContact O-N 3.06Å; L171-I173 PolarHBondContact O-N 3.44Å; I173-M175 PolarHBondContact O-N 2.93Å; I173-F176 WeakPolarHBondContact O-CB 3.22Å; I173-F176 PolarHBondContact O-N 3.31Å; I173-V177 HydrophobicContact CG2-CG2 4.43Å; I173-V177 PolarHBondContact O-N 3.24Å; I173-L196 HydrophobicContact CG2-CD1 4.22Å; I173-I199 HydrophobicContact CB-CG1 4.49Å; I173-I199 HydrophobicContact CG1-CG1 4.04Å; I173-I199 HydrophobicContact CG2-CG2 4.16Å; I173-L200 HydrophobicContact CD1-CD2 4.17Å; I173-L200 HydrophobicContact CG2-CD2 4.39Å; I173-A203 HydrophobicContact CD1-CB 3.52Å; I173-A203 HydrophobicContact CG1-CB 3.99Å
174L92.5Very high86.3Confident40 Ų4040.6 Ų40.621%0.20924%0.242CC..Hα-helixtrans-59.8-33.6-174.7-60.6175.7000112M125 L128 L171 I172 F176 V177 T178M125-L174 HydrophobicContact CB-CB 4.17Å; M125-L174 HydrophobicContact CE-CB 4.4Å; M125-L174 HydrophobicContact CE-CD2 3.75Å; L128-L174 HydrophobicContact CB-CD1 3.48Å; L128-L174 VanDerWaalsContact CB-CD1 3.48Å; L128-L174 HydrophobicContact CD1-CD1 3.69Å; L128-L174 HydrophobicContact CG-CD1 4.26Å; L171-L174 HydrophobicContact CD2-CD1 4.04Å; L171-L174 VanDerWaalsContact O-CB 3.25Å; L171-L174 WeakPolarHBondContact O-CB 3.43Å; L171-L174 VanDerWaalsContact O-CG 3.31Å; L171-L174 WeakPolarHBondContact O-CG 3.44Å; L171-L174 PolarHBondContact O-N 3.44Å; I172-L174 PolarHBondContact O-N 3.23Å; L174-F176 VanDerWaalsContact C-N 3.3Å; L174-F176 PolarHBondContact O-N 3.36Å; L174-V177 PolarHBondContact O-N 2.83Å; L174-T178 WeakPolarHBondContact O-CG2 3.48Å; L174-T178 PolarHBondContact O-N 2.81Å
175M88.4Confident86Confident3 Ų343.7 Ų43.72%0.01527%0.265CS..Hα-helixtrans-58-44.5173.1-176.965.874.600111.4R126 S129 I172 I173 V177 T178 L179 Q248 V252R126-M175 HydrophobicContact CB-CE 4.42Å; R126-M175 HydrophobicContact CG-CE 4.1Å; R126-M175 HydrophobicContact CG-SD 3.88Å; S129-M175 WeakPolarHBondContact OG-CB 3.48Å; I172-M175 PolarHBondContact O-N 2.79Å; I173-M175 PolarHBondContact O-N 2.93Å; M175-V177 VanDerWaalsContact C-N 3.32Å; M175-V177 PolarHBondContact O-N 3.19Å; M175-T178 PolarHBondContact O-N 3.34Å; M175-T178 VanDerWaalsContact O-N 3.09Å; M175-T178 PolarHBondContact O-OG1 2.97Å; M175-L179 PolarHBondContact O-N 3.35Å; M175-Q248 HydrophobicContact CE-CB 3.94Å; M175-V252 HydrophobicContact CB-CG2 3.92Å; M175-V252 HydrophobicContact CE-CG2 3.57Å; M175-V252 HydrophobicContact CG-CB 4.49Å; M175-V252 HydrophobicContact CG-CG2 3.86Å
176F88.4Confident85.9Confident3 Ų349.5 Ų49.51%0.01330%0.295CS..Hα-helixtrans-67.7-33.1-177.4-68.2-97.9000112.8I172 I173 L174 T178 L179 N195 L196 I199 L215 L219 V252 L256I172-F176 WeakPolarHBondContact O-CD2 3.47Å; I173-F176 WeakPolarHBondContact O-CB 3.22Å; I173-F176 PolarHBondContact O-N 3.31Å; L174-F176 VanDerWaalsContact C-N 3.3Å; L174-F176 PolarHBondContact O-N 3.36Å; F176-T178 VanDerWaalsContact C-N 3.25Å; F176-T178 PolarHBondContact O-N 3.21Å; F176-L179 PolarHBondContact O-N 3.23Å; F176-L179 VanDerWaalsContact O-N 3.17Å; F176-N195 HydrophobicContact CD1-CB 3.74Å; F176-N195 HydrophobicContact CE1-CB 3.89Å; F176-L196 HydrophobicContact CB-CD1 4.11Å; F176-I199 HydrophobicContact CB-CG2 4.04Å; F176-I199 HydrophobicContact CD1-CB 4.43Å; F176-I199 HydrophobicContact CD1-CG2 4.23Å; F176-I199 HydrophobicContact CD2-CB 3.91Å; F176-I199 HydrophobicContact CD2-CD1 4.26Å; F176-I199 HydrophobicContact CD2-CG1 3.67Å; F176-I199 HydrophobicContact CD2-CG2 3.85Å; F176-I199 HydrophobicContact CE1-CB 4.35Å; F176-I199 HydrophobicContact CE2-CB 3.84Å; F176-I199 HydrophobicContact CE2-CD1 3.58Å; F176-I199 HydrophobicContact CE2-CG1 3.51Å; F176-I199 HydrophobicContact CE2-CG2 4.3Å; F176-I199 HydrophobicContact CG-CB 4.18Å; F176-I199 HydrophobicContact CG-CG1 4.42Å; F176-I199 HydrophobicContact CG-CG2 3.77Å; F176-I199 HydrophobicContact CZ-CB 4.02Å; F176-I199 HydrophobicContact CZ-CD1 4.02Å; F176-I199 HydrophobicContact CZ-CG1 4.12Å; F176-L215 HydrophobicContact CE1-CD2 3.77Å; F176-L215 HydrophobicContact CZ-CD1 4.29Å; F176-L215 HydrophobicContact CZ-CD2 4.04Å; F176-L219 HydrophobicContact CE1-CD1 3.86Å; F176-L219 HydrophobicContact CE1-CD2 4.02Å; F176-L219 HydrophobicContact CE1-CG 4.29Å; F176-L219 HydrophobicContact CE2-CD1 4.49Å; F176-L219 HydrophobicContact CZ-CD1 3.53Å; F176-L219 HydrophobicContact CZ-CG 4.42Å; F176-V252 HydrophobicContact CE2-CG1 4.11Å; F176-L256 HydrophobicContact CZ-CD1 4.18Å
177V87.2Confident85.7Confident60 Ų6053.3 Ų53.336%0.36431%0.31SS..Hα-helixtrans-63.6-36.3173.7-176.70000110.7M125 I173 L174 M175 L179 I180 L196M125-V177 HydrophobicContact CE-CB 3.68Å; M125-V177 HydrophobicContact CE-CG1 3.63Å; M125-V177 HydrophobicContact CE-CG2 4.32Å; I173-V177 HydrophobicContact CG2-CG2 4.43Å; I173-V177 PolarHBondContact O-N 3.24Å; L174-V177 PolarHBondContact O-N 2.83Å; M175-V177 VanDerWaalsContact C-N 3.32Å; M175-V177 PolarHBondContact O-N 3.19Å; V177-L179 PolarHBondContact O-N 3.44Å; V177-I180 PolarHBondContact O-N 3.3Å; V177-L196 HydrophobicContact CG2-CD1 4.19Å
178T84.6Confident85.4Confident10 Ų1053.9 Ų53.96%0.06131%0.305CS..Hα-helixtrans-69.3-15.9176.869.10000114.2V122 M125 R126 L174 M175 F176 H181V122-T178 HydrophobicContact CG1-CG2 4.17Å; M125-T178 HydrophobicContact CB-CG2 3.57Å; M125-T178 HydrophobicContact CG-CG2 4.45Å; M125-T178 HydrophobicContact SD-CG2 4.13Å; R126-T178 HydrophobicContact CG-CG2 4.26Å; L174-T178 WeakPolarHBondContact O-CG2 3.48Å; L174-T178 PolarHBondContact O-N 2.81Å; M175-T178 PolarHBondContact O-N 3.34Å; M175-T178 VanDerWaalsContact O-N 3.09Å; M175-T178 PolarHBondContact O-OG1 2.97Å; F176-T178 VanDerWaalsContact C-N 3.25Å; F176-T178 PolarHBondContact O-N 3.21Å; T178-H181 PolarHBondContact O-CE1 2.89Å
179L82.2Confident85.1Confident25 Ų2555.4 Ų55.413%0.13131%0.314CS..THydrogen-bonded Turntrans-82.1-13177.3-61.9175.7000112.9M175 F176 V177 H181 Y188M175-L179 PolarHBondContact O-N 3.35Å; F176-L179 PolarHBondContact O-N 3.23Å; F176-L179 VanDerWaalsContact O-N 3.17Å; V177-L179 PolarHBondContact O-N 3.44Å; L179-H181 PolarHBondContact O-N 3.13Å; L179-H181 VanDerWaalsContact O-N 3.16Å; L179-H181 PolarHBondContact O-ND1 3.18Å; L179-H181 VanDerWaalsContact O-ND1 3.11Å; L179-Y188 VanDerWaalsContact O-CE1 3.22Å; L179-Y188 WeakPolarHBondContact O-CE1 3.45Å; L179-Y188 PolarHBondContact O-OH 2.98Å; L179-Y188 VanDerWaalsContact O-OH 3.11Å
180I79.8Confident84.9Confident66 Ų6660.8 Ų60.834%0.33834%0.341SS..  trans-79.3104.7-174.6-57.1173.5000110.3V177 L196V177-I180 PolarHBondContact O-N 3.3Å; I180-L196 HydrophobicContact CD1-CD2 4.04Å
181H75.7Confident84.7Confident100 Ų10057.4 Ų57.446%0.46332%0.324SS..  trans-120.4109.1175.8-65.486.2000110.2T178 L179 G183 S184 Y188T178-H181 PolarHBondContact O-CE1 2.89Å; L179-H181 PolarHBondContact O-N 3.13Å; L179-H181 VanDerWaalsContact O-N 3.16Å; L179-H181 PolarHBondContact O-ND1 3.18Å; L179-H181 VanDerWaalsContact O-ND1 3.11Å; H181-G183 PolarHBondContact O-N 2.9Å; H181-S184 PolarHBondContact O-N 2.78Å; H181-Y188 HydrophobicContact CB-CE1 4.43Å
182L64.3Low84.4Confident158 Ų15855.8 Ų55.883%0.82732%0.316SS*.THydrogen-bonded Turntrans-66.7-18.5-175-72.8169.4000114.2
183G61.5Low84.3Confident85 Ų8559.9 Ų59.988%0.87634%0.337SS*.THydrogen-bonded Turntrans-89.80.4178.900000115.2H181H181-G183 PolarHBondContact O-N 2.9Å
184S71.7Confident84.3Confident53 Ų5360.1 Ų60.137%0.37135%0.345SS..SBendtrans-83.3174.7179.2-59.50000111.9H181H181-S184 PolarHBondContact O-N 2.78Å
185S86.6Confident84.4Confident81 Ų8158.5 Ų58.557%0.56634%0.337SS*.  trans-51.1142.5174.6174.60000112F187 Y188 V189S185-F187 PolarHBondContact O-N 3.44Å; S185-F187 VanDerWaalsContact O-N 3.1Å; S185-F187 PolarHBondContact OG-N 3Å; S185-Y188 WeakPolarHBondContact O-CA 3.28Å; S185-Y188 VanDerWaalsContact O-CB 3.28Å; S185-Y188 WeakPolarHBondContact O-CB 3.27Å; S185-Y188 PolarHBondContact O-N 3.4Å; S185-V189 PolarHBondContact O-N 3.5Å; S185-V189 VanDerWaalsContact O-N 3.13Å
186I87.4Confident84.6Confident136 Ų13660.3 Ų60.370%0.69735%0.346SS*.Hα-helixtrans-50.7-39.2175.9-64.4171.5000110.7Y188 V189 I190I186-Y188 VanDerWaalsContact C-N 3.34Å; I186-Y188 PolarHBondContact O-N 3.35Å; I186-V189 PolarHBondContact O-N 2.64Å; I186-I190 HydrophobicContact CG2-CD1 3.79Å; I186-I190 HydrophobicContact CG2-CG1 4.36Å; I186-I190 WeakPolarHBondContact O-CG1 3.46Å; I186-I190 PolarHBondContact O-N 3.43Å
187F88Confident85Confident124 Ų12464.7 Ų64.754%0.54437%0.369SS..Hα-helixtrans-60.8-42.1177.2-176-97.6000112.5S185 I190 Q191 M222S185-F187 PolarHBondContact O-N 3.44Å; S185-F187 VanDerWaalsContact O-N 3.1Å; S185-F187 PolarHBondContact OG-N 3Å; F187-I190 PolarHBondContact O-N 2.96Å; F187-Q191 WeakPolarHBondContact O-CB 3.43Å; F187-Q191 PolarHBondContact O-N 3.2Å; F187-M222 HydrophobicContact CE1-CE 4.14Å
188Y88.4Confident85.4Confident37 Ų3763.8 Ų63.815%0.14536%0.362CS..Hα-helixtrans-63.9-42.2176.8-177-92.4000111.4L179 H181 S185 I186 Q191 S192 Y226L179-Y188 VanDerWaalsContact O-CE1 3.22Å; L179-Y188 WeakPolarHBondContact O-CE1 3.45Å; L179-Y188 PolarHBondContact O-OH 2.98Å; L179-Y188 VanDerWaalsContact O-OH 3.11Å; H181-Y188 HydrophobicContact CB-CE1 4.43Å; S185-Y188 WeakPolarHBondContact O-CA 3.28Å; S185-Y188 VanDerWaalsContact O-CB 3.28Å; S185-Y188 WeakPolarHBondContact O-CB 3.27Å; S185-Y188 PolarHBondContact O-N 3.4Å; I186-Y188 VanDerWaalsContact C-N 3.34Å; I186-Y188 PolarHBondContact O-N 3.35Å; Y188-Q191 PolarHBondContact O-N 3.35Å; Y188-S192 WeakPolarHBondContact O-CB 3.28Å; Y188-S192 PolarHBondContact O-N 3.3Å; Y188-S192 PolarHBondContact O-OG 3.41Å; Y188-S192 VanDerWaalsContact O-OG 3.1Å; Y188-Y226 AromaticContact CD2-CE1 4Å; Y188-Y226 HydrophobicContact CD2-CE1 4Å; Y188-Y226 AromaticContact CD2-CE2 3.96Å; Y188-Y226 HydrophobicContact CD2-CE2 3.96Å; Y188-Y226 AromaticContact CD2-CZ 3.62Å; Y188-Y226 HydrophobicContact CE2-CD2 4.34Å; Y188-Y226 HydrophobicContact CE2-CE1 4.37Å; Y188-Y226 HydrophobicContact CE2-CE2 4.08Å
189V87.8Confident85.9Confident32 Ų3263.3 Ų63.319%0.19436%0.359CS..Hα-helixtrans-64.5-46.6178.5178.50000111.2S185 I186 Q191 S192 I193S185-V189 PolarHBondContact O-N 3.5Å; S185-V189 VanDerWaalsContact O-N 3.13Å; I186-V189 PolarHBondContact O-N 2.64Å; V189-Q191 VanDerWaalsContact C-N 3.32Å; V189-Q191 PolarHBondContact O-N 3.12Å; V189-S192 PolarHBondContact O-N 2.89Å; V189-I193 HydrophobicContact CG1-CD1 3.94Å; V189-I193 WeakPolarHBondContact O-CG1 3.44Å; V189-I193 PolarHBondContact O-N 3.41Å
190I89.8Confident86.5Confident112 Ų11265.7 Ų65.757%0.57437%0.371SS*.Hα-helixtrans-58.3-46.9177.9-70.3169.7000110.6I186 F187 I193 G194I186-I190 HydrophobicContact CG2-CD1 3.79Å; I186-I190 HydrophobicContact CG2-CG1 4.36Å; I186-I190 WeakPolarHBondContact O-CG1 3.46Å; I186-I190 PolarHBondContact O-N 3.43Å; F187-I190 PolarHBondContact O-N 2.96Å; I190-I193 PolarHBondContact O-N 3.42Å; I190-G194 PolarHBondContact O-N 2.97Å
191Q90.6Very high87.2Confident17 Ų1765 Ų658%0.07937%0.368CS..Hα-helixtrans-60.4-47.5176.4171.3-167-7.800112.1F187 Y188 V189 I193 G194 N195 W218 M222F187-Q191 WeakPolarHBondContact O-CB 3.43Å; F187-Q191 PolarHBondContact O-N 3.2Å; Y188-Q191 PolarHBondContact O-N 3.35Å; V189-Q191 VanDerWaalsContact C-N 3.32Å; V189-Q191 PolarHBondContact O-N 3.12Å; Q191-I193 VanDerWaalsContact C-N 3.26Å; Q191-I193 PolarHBondContact O-N 2.99Å; Q191-G194 PolarHBondContact O-N 3.24Å; Q191-G194 VanDerWaalsContact O-N 3.13Å; Q191-N195 VanDerWaalsContact O-CG 3.31Å; Q191-N195 PolarHBondContact O-N 2.85Å; Q191-W218 HydrophobicContact CB-CZ2 4.45Å; Q191-W218 HydrophobicContact CG-CZ2 3.67Å; Q191-M222 HydrophobicContact CG-CE 4.37Å
192S90.2Very high88.1Confident5 Ų560.2 Ų60.24%0.03535%0.346CS..Hα-helixtrans-61.9-36.7-179-71.50000111.6Y188 V189 N195 L196Y188-S192 WeakPolarHBondContact O-CB 3.28Å; Y188-S192 PolarHBondContact O-N 3.3Å; Y188-S192 PolarHBondContact O-OG 3.41Å; Y188-S192 VanDerWaalsContact O-OG 3.1Å; V189-S192 PolarHBondContact O-N 2.89Å; S192-N195 PolarHBondContact O-N 3.38Å; S192-L196 WeakPolarHBondContact O-CB 3.4Å; S192-L196 PolarHBondContact O-N 3.18Å
193I91.3Very high89.5Confident86 Ų8653.1 Ų53.144%0.44131%0.31SS..Hα-helixtrans-64.9-46.3172.2-66.8166.7000110.8V189 I190 Q191 N195 L196 I197V189-I193 HydrophobicContact CG1-CD1 3.94Å; V189-I193 WeakPolarHBondContact O-CG1 3.44Å; V189-I193 PolarHBondContact O-N 3.41Å; I190-I193 PolarHBondContact O-N 3.42Å; Q191-I193 VanDerWaalsContact C-N 3.26Å; Q191-I193 PolarHBondContact O-N 2.99Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.25Å; I193-L196 WeakPolarHBondContact O-CB 3.27Å; I193-L196 PolarHBondContact O-N 3.31Å; I193-L196 VanDerWaalsContact O-N 3.15Å; I193-I197 HydrophobicContact CG2-CD1 4.03Å; I193-I197 WeakPolarHBondContact O-CG1 3.45Å; I193-I197 PolarHBondContact O-N 2.89Å
194G93.8Very high91Very high29 Ų2953.7 Ų53.730%0.29929%0.292SS..Hα-helixtrans-58.7-42.4176.200000112.7I190 Q191 I197 L198I190-G194 PolarHBondContact O-N 2.97Å; Q191-G194 PolarHBondContact O-N 3.24Å; Q191-G194 VanDerWaalsContact O-N 3.13Å; G194-I197 PolarHBondContact O-N 3.21Å; G194-L198 WeakPolarHBondContact O-CG 3.14Å; G194-L198 PolarHBondContact O-N 3.39Å
195N94.3Very high91.8Very high7 Ų751.2 Ų51.24%0.03727%0.274CS..Hα-helixtrans-62-42.4174.6-72.3-10.8000111.9F176 Q191 S192 I193 I197 L198 I199 L215 W218F176-N195 HydrophobicContact CD1-CB 3.74Å; F176-N195 HydrophobicContact CE1-CB 3.89Å; Q191-N195 VanDerWaalsContact O-CG 3.31Å; Q191-N195 PolarHBondContact O-N 2.85Å; S192-N195 PolarHBondContact O-N 3.38Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.25Å; N195-I197 VanDerWaalsContact C-N 3.35Å; N195-L198 PolarHBondContact O-N 2.79Å; N195-I199 PolarHBondContact O-N 3.39Å; N195-L215 HydrophobicContact CB-CD2 4.43Å; N195-W218 PolarHBondContact OD1-NE1 2.86Å; N195-W218 VanDerWaalsContact OD1-NE1 3.11Å
196L93.9Very high91.9Very high41 Ų4151 Ų5122%0.21526%0.261CS..Hα-helixtrans-62.8-41.6177.1-17169.5000111.6I173 F176 V177 I180 S192 I193 I199 L200I173-L196 HydrophobicContact CG2-CD1 4.22Å; F176-L196 HydrophobicContact CB-CD1 4.11Å; V177-L196 HydrophobicContact CG2-CD1 4.19Å; I180-L196 HydrophobicContact CD1-CD2 4.04Å; S192-L196 WeakPolarHBondContact O-CB 3.4Å; S192-L196 PolarHBondContact O-N 3.18Å; I193-L196 WeakPolarHBondContact O-CB 3.27Å; I193-L196 PolarHBondContact O-N 3.31Å; I193-L196 VanDerWaalsContact O-N 3.15Å; L196-I199 HydrophobicContact CD1-CG2 4.25Å; L196-I199 WeakPolarHBondContact O-CG2 3.35Å; L196-I199 PolarHBondContact O-N 2.96Å; L196-L200 HydrophobicContact CG-CD1 4.18Å; L196-L200 WeakPolarHBondContact O-CB 3.32Å; L196-L200 WeakPolarHBondContact O-CD1 3.45Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 3.13Å
197I95.1Very high92Very high95 Ų9545.5 Ų45.549%0.48723%0.233SC..Hα-helixtrans-62-48.3176.4-67165.5000110.2I193 G194 N195 I199 L200 L201I193-I197 HydrophobicContact CG2-CD1 4.03Å; I193-I197 WeakPolarHBondContact O-CG1 3.45Å; I193-I197 PolarHBondContact O-N 2.89Å; G194-I197 PolarHBondContact O-N 3.21Å; N195-I197 VanDerWaalsContact C-N 3.35Å; I197-I199 PolarHBondContact O-N 3.26Å; I197-L200 PolarHBondContact O-N 3.5Å; I197-L201 WeakPolarHBondContact O-CG 3.29Å; I197-L201 PolarHBondContact O-N 3.25Å
198L95.8Very high92.1Very high41 Ų4139.6 Ų39.622%0.21521%0.207CC..Hα-helixtrans-61.7-41.6-179.9-73.5171.5000112.4G194 N195 L200 L201 V202 C211 V214 L215G194-L198 WeakPolarHBondContact O-CG 3.14Å; G194-L198 PolarHBondContact O-N 3.39Å; N195-L198 PolarHBondContact O-N 2.79Å; L198-L200 VanDerWaalsContact C-N 3.33Å; L198-L200 PolarHBondContact O-N 3.06Å; L198-L201 PolarHBondContact O-N 2.82Å; L198-V202 WeakPolarHBondContact O-CG2 3.37Å; L198-V202 PolarHBondContact O-N 3.2Å; L198-C211 HydrophobicContact CD2-CB 4.25Å; L198-V214 HydrophobicContact CD1-CG1 3.86Å; L198-L215 HydrophobicContact CB-CD1 3.84Å; L198-L215 HydrophobicContact CB-CD2 3.72Å; L198-L215 HydrophobicContact CB-CG 3.67Å; L198-L215 HydrophobicContact CD1-CD2 3.97Å; L198-L215 HydrophobicContact CD1-CG 4.13Å
199I95.8Very high92.3Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-70.4-32.3179.8-167.265.6000111.7I172 I173 F176 N195 L196 I197 V202 A203 L215 L256I172-I199 HydrophobicContact CD1-CD1 3.73Å; I172-I199 HydrophobicContact CG1-CD1 4.02Å; I173-I199 HydrophobicContact CB-CG1 4.49Å; I173-I199 HydrophobicContact CG1-CG1 4.04Å; I173-I199 HydrophobicContact CG2-CG2 4.16Å; F176-I199 HydrophobicContact CB-CG2 4.04Å; F176-I199 HydrophobicContact CD1-CB 4.43Å; F176-I199 HydrophobicContact CD1-CG2 4.23Å; F176-I199 HydrophobicContact CD2-CB 3.91Å; F176-I199 HydrophobicContact CD2-CD1 4.26Å; F176-I199 HydrophobicContact CD2-CG1 3.67Å; F176-I199 HydrophobicContact CD2-CG2 3.85Å; F176-I199 HydrophobicContact CE1-CB 4.35Å; F176-I199 HydrophobicContact CE2-CB 3.84Å; F176-I199 HydrophobicContact CE2-CD1 3.58Å; F176-I199 HydrophobicContact CE2-CG1 3.51Å; F176-I199 HydrophobicContact CE2-CG2 4.3Å; F176-I199 HydrophobicContact CG-CB 4.18Å; F176-I199 HydrophobicContact CG-CG1 4.42Å; F176-I199 HydrophobicContact CG-CG2 3.77Å; F176-I199 HydrophobicContact CZ-CB 4.02Å; F176-I199 HydrophobicContact CZ-CD1 4.02Å; F176-I199 HydrophobicContact CZ-CG1 4.12Å; N195-I199 PolarHBondContact O-N 3.39Å; L196-I199 HydrophobicContact CD1-CG2 4.25Å; L196-I199 WeakPolarHBondContact O-CG2 3.35Å; L196-I199 PolarHBondContact O-N 2.96Å; I197-I199 PolarHBondContact O-N 3.26Å; I199-V202 HydrophobicContact CD1-CB 4.3Å; I199-V202 HydrophobicContact CD1-CG1 4.37Å; I199-V202 WeakPolarHBondContact O-CB 2.93Å; I199-V202 PolarHBondContact O-N 3.33Å; I199-A203 WeakPolarHBondContact O-CB 3.12Å; I199-A203 PolarHBondContact O-N 3.47Å; I199-L215 HydrophobicContact CB-CD1 4.09Å; I199-L215 HydrophobicContact CD1-CD1 3.98Å; I199-L256 HydrophobicContact CD1-CD2 3.73Å
200L95.2Very high92.4Very high74 Ų7440.4 Ų40.439%0.38721%0.209SC..Hα-helixtrans-64.3-40.4172.4-72.5168.5000111.4I173 L196 I197 L198 V202 A203 I204I173-L200 HydrophobicContact CD1-CD2 4.17Å; I173-L200 HydrophobicContact CG2-CD2 4.39Å; L196-L200 HydrophobicContact CG-CD1 4.18Å; L196-L200 WeakPolarHBondContact O-CB 3.32Å; L196-L200 WeakPolarHBondContact O-CD1 3.45Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 3.13Å; I197-L200 PolarHBondContact O-N 3.5Å; L198-L200 VanDerWaalsContact C-N 3.33Å; L198-L200 PolarHBondContact O-N 3.06Å; L200-V202 VanDerWaalsContact C-N 3.35Å; L200-A203 PolarHBondContact O-N 3.27Å; L200-I204 WeakPolarHBondContact O-CB 3.43Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.47Å; L200-I204 PolarHBondContact O-N 3.06Å
201L94.8Very high92.7Very high52 Ų5235.5 Ų35.527%0.27219%0.185SC..Hα-helixtrans-62.7-41.4173.5-65.3179.5000111.8I197 L198 A203 G205 Y206 C211I197-L201 WeakPolarHBondContact O-CG 3.29Å; I197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.82Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 2.84Å; L201-G205 PolarHBondContact O-N 2.91Å; L201-Y206 HydrophobicContact CD2-CD1 4.06Å; L201-Y206 PolarHBondContact O-N 2.87Å; L201-C211 HydrophobicContact CB-CB 4.49Å
202V94.4Very high92.9Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-60.7-43.4173169.60000111.2R169 L198 I199 L200 G205 T208 C211 A212 L215 L256 V259R169-V202 WeakPolarHBondContact CD-O 3.44Å; R169-V202 HydrophobicContact CG-CG1 4.49Å; R169-V202 PolarHBondContact NH1-O 3.23Å; L198-V202 WeakPolarHBondContact O-CG2 3.37Å; L198-V202 PolarHBondContact O-N 3.2Å; I199-V202 HydrophobicContact CD1-CB 4.3Å; I199-V202 HydrophobicContact CD1-CG1 4.37Å; I199-V202 WeakPolarHBondContact O-CB 2.93Å; I199-V202 PolarHBondContact O-N 3.33Å; L200-V202 VanDerWaalsContact C-N 3.35Å; V202-G205 WeakPolarHBondContact O-CA 3.47Å; V202-G205 PolarHBondContact O-N 3.45Å; V202-G205 VanDerWaalsContact O-N 3.1Å; V202-T208 HydrophobicContact CG1-CG2 4.15Å; V202-C211 HydrophobicContact CG2-CB 3.62Å; V202-A212 HydrophobicContact CG2-CB 3.98Å; V202-L215 HydrophobicContact CG2-CD1 4.13Å; V202-L256 HydrophobicContact CG1-CD2 4.25Å; V202-V259 HydrophobicContact CG1-CG1 4.11Å
203A92.9Very high93.1Very high8 Ų835.3 Ų35.37%0.06619%0.185CC..Hα-helixtrans-64.8-46.1-179.400000113.2R169 I173 I199 L200 L201 G205R169-A203 PolarHBondContact NH1-O 3.11Å; I173-A203 HydrophobicContact CD1-CB 3.52Å; I173-A203 HydrophobicContact CG1-CB 3.99Å; I199-A203 WeakPolarHBondContact O-CB 3.12Å; I199-A203 PolarHBondContact O-N 3.47Å; L200-A203 PolarHBondContact O-N 3.27Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 2.84Å; A203-G205 PolarHBondContact O-N 3.45Å
204I92.3Very high93.3Very high98 Ų9834.4 Ų34.450%0.50318%0.183SC..Hα-helixtrans-63.6-28.9172.5-66.1165.7000110.5L200 V269L200-I204 WeakPolarHBondContact O-CB 3.43Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.47Å; L200-I204 PolarHBondContact O-N 3.06Å; I204-V269 HydrophobicContact CG2-CG2 3.55Å; I204-V269 PolarHBondContact O-N 3.11Å
205G88.5Confident93.4Very high0 Ų033 Ų330%017%0.169CC..THydrogen-bonded Turntrans79.946-178.200000111.7R169 L201 V202 A203 T208 V269 D270R169-G205 VanDerWaalsContact NH1-CA 3.35Å; L201-G205 PolarHBondContact O-N 2.91Å; V202-G205 WeakPolarHBondContact O-CA 3.47Å; V202-G205 PolarHBondContact O-N 3.45Å; V202-G205 VanDerWaalsContact O-N 3.1Å; A203-G205 PolarHBondContact O-N 3.45Å; G205-T208 WeakPolarHBondContact CA-OG1 3.31Å; G205-V269 PolarHBondContact O-N 2.94Å; G205-V269 VanDerWaalsContact O-N 3.14Å; G205-D270 PolarHBondContact O-N 3.32Å
206Y90Very high93.5Very high76 Ų7634 Ų3430%0.29818%0.175SC..SBendtrans-110.8123.9173.9178.6-106.3000110.1L201 T208 V269 D270L201-Y206 HydrophobicContact CD2-CD1 4.06Å; L201-Y206 PolarHBondContact O-N 2.87Å; Y206-T208 PolarHBondContact O-N 2.77Å; Y206-V269 HydrophobicContact CD2-CG1 3.99Å; Y206-D270 WeakPolarHBondContact CA-OD1 3.46Å
207K89Confident93.5Very high21 Ų2137.4 Ų37.49%0.09119%0.192CC..SBendtrans46.844.4-172.8-60.3-151.2167.6-1360111.3D16 E19 K209 L210 C211 D270D16-K207 IonicContact OD1-NZ 3.18Å; D16-K207 PolarHBondContact OD1-NZ 2.91Å; E19-K207 VanDerWaalsContact CD-NZ 3.29Å; E19-K207 HydrophobicContact CG-CD 4.18Å; E19-K207 WeakPolarHBondContact OE1-CB 3.33Å; E19-K207 WeakPolarHBondContact OE1-CD 3.32Å; E19-K207 WeakPolarHBondContact OE1-CG 3.41Å; E19-K207 IonicContact OE1-NZ 3.74Å; E19-K207 WeakPolarHBondContact OE2-CE 3.5Å; E19-K207 IonicContact OE2-NZ 2.71Å; E19-K207 PolarHBondContact OE2-NZ 3.24Å; K207-K209 PolarHBondContact O-N 2.66Å; K207-L210 HydrophobicContact CB-CB 4.49Å; K207-L210 HydrophobicContact CD-CD2 4.41Å; K207-L210 PolarHBondContact O-N 2.88Å; K207-C211 PolarHBondContact O-N 3.02Å; K207-C211 PolarHBondContact O-SG 3.18Å; K207-D270 PolarHBondContact N-OD1 3.06Å; K207-D270 PolarHBondContact N-OD2 3Å
208T91.3Very high93.5Very high0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-59.7-47-161-52.70000112.7V202 G205 Y206 C211 A212 V259 P264 D270V202-T208 HydrophobicContact CG1-CG2 4.15Å; G205-T208 WeakPolarHBondContact CA-OG1 3.31Å; Y206-T208 PolarHBondContact O-N 2.77Å; T208-C211 PolarHBondContact O-N 3.31Å; T208-A212 WeakPolarHBondContact O-CB 3.19Å; T208-A212 PolarHBondContact O-N 2.92Å; T208-V259 HydrophobicContact CG2-CG1 3.44Å; T208-V259 VanDerWaalsContact CG2-CG1 3.44Å; T208-P264 HydrophobicContact CG2-CB 3.87Å; T208-P264 HydrophobicContact CG2-CG 4.28Å; T208-P264 WeakPolarHBondContact OG1-CB 3.26Å; T208-P264 WeakPolarHBondContact OG1-CG 3.35Å; T208-D270 WeakPolarHBondContact CB-OD2 3.31Å; T208-D270 PolarHBondContact N-OD2 3.49Å; T208-D270 PolarHBondContact OG1-OD2 3.24Å
209K90.7Very high93.5Very high66 Ų6636 Ų3629%0.28718%0.179SC..Hα-helixtrans-65.2-41.3-178-69.2-176-176.4179.10111.8D23 K207 T213D23-K209 WeakPolarHBondContact OD1-CD 3.07Å; D23-K209 IonicContact OD1-NZ 2.73Å; D23-K209 PolarHBondContact OD1-NZ 3.42Å; K207-K209 PolarHBondContact O-N 2.66Å; K209-T213 VanDerWaalsContact O-CB 3.25Å; K209-T213 WeakPolarHBondContact O-CB 3.29Å; K209-T213 PolarHBondContact O-N 2.89Å; K209-T213 PolarHBondContact O-OG1 2.95Å
210L91.8Very high93.5Very high21 Ų2137.9 Ų37.911%0.1119%0.19CC..Hα-helixtrans-62.1-53.8176.6176.764.3000110.1L18 E19 A22 K207 A212 T213 V214L18-L210 HydrophobicContact CB-CD1 3.99Å; L18-L210 HydrophobicContact CB-CD2 4.16Å; E19-L210 HydrophobicContact CG-CB 4Å; E19-L210 HydrophobicContact CG-CD2 3.92Å; A22-L210 HydrophobicContact CB-CB 4.41Å; A22-L210 HydrophobicContact CB-CD1 3.91Å; K207-L210 HydrophobicContact CB-CB 4.49Å; K207-L210 HydrophobicContact CD-CD2 4.41Å; K207-L210 PolarHBondContact O-N 2.88Å; L210-A212 VanDerWaalsContact C-N 3.35Å; L210-A212 PolarHBondContact O-N 3.43Å; L210-T213 PolarHBondContact O-N 3.42Å; L210-V214 HydrophobicContact CD1-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.38Å; L210-V214 PolarHBondContact O-N 2.82Å
211C94.8Very high93.5Very high9 Ų936.3 Ų36.36%0.06119%0.192CC..Hα-helixtrans-60.4-44-178.6-61.80000111.9L198 L201 V202 K207 T208 V214 L215L198-C211 HydrophobicContact CD2-CB 4.25Å; L201-C211 HydrophobicContact CB-CB 4.49Å; V202-C211 HydrophobicContact CG2-CB 3.62Å; K207-C211 PolarHBondContact O-N 3.02Å; K207-C211 PolarHBondContact O-SG 3.18Å; T208-C211 PolarHBondContact O-N 3.31Å; C211-V214 PolarHBondContact O-N 3.34Å; C211-L215 WeakPolarHBondContact O-CB 3.34Å; C211-L215 WeakPolarHBondContact O-CG 3.25Å; C211-L215 PolarHBondContact O-N 2.98Å
212A95.3Very high93.4Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-66.7-36.7177.700000112.1V202 T208 L210 L215 V216 L256 V259 V260V202-A212 HydrophobicContact CG2-CB 3.98Å; T208-A212 WeakPolarHBondContact O-CB 3.19Å; T208-A212 PolarHBondContact O-N 2.92Å; L210-A212 VanDerWaalsContact C-N 3.35Å; L210-A212 PolarHBondContact O-N 3.43Å; A212-L215 PolarHBondContact O-N 2.69Å; A212-V216 WeakPolarHBondContact O-CB 3.37Å; A212-V216 VanDerWaalsContact O-CG2 3.27Å; A212-V216 WeakPolarHBondContact O-CG2 3.38Å; A212-V216 PolarHBondContact O-N 3.37Å; A212-L256 HydrophobicContact CB-CD2 4.43Å; A212-V259 HydrophobicContact CB-CB 4.42Å; A212-V259 HydrophobicContact CB-CG1 4.05Å; A212-V260 VanDerWaalsContact C-CG2 3.47Å; A212-V260 HydrophobicContact CB-CG2 3.51Å
213T94Very high93.4Very high18 Ų1835.2 Ų35.211%0.1119%0.186CC..Hα-helixtrans-65.1-46.3176.5-59.70000110.9K209 L210 L215 V216 I217 V260K209-T213 VanDerWaalsContact O-CB 3.25Å; K209-T213 WeakPolarHBondContact O-CB 3.29Å; K209-T213 PolarHBondContact O-N 2.89Å; K209-T213 PolarHBondContact O-OG1 2.95Å; L210-T213 PolarHBondContact O-N 3.42Å; T213-L215 VanDerWaalsContact C-N 3.33Å; T213-L215 PolarHBondContact O-N 2.93Å; T213-V216 PolarHBondContact O-N 3.11Å; T213-I217 HydrophobicContact CG2-CD1 3.97Å; T213-I217 WeakPolarHBondContact O-CG1 3.39Å; T213-I217 PolarHBondContact O-N 2.89Å; T213-I217 VanDerWaalsContact O-N 3.08Å; T213-V260 WeakPolarHBondContact OG1-CG1 3.37Å
214V95.5Very high93.5Very high66 Ų6639.4 Ų39.440%0.420%0.202SC..Hα-helixtrans-59.3-46.6175.5173.60000110.3L198 L210 C211 I217 W218L198-V214 HydrophobicContact CD1-CG1 3.86Å; L210-V214 HydrophobicContact CD1-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.38Å; L210-V214 PolarHBondContact O-N 2.82Å; C211-V214 PolarHBondContact O-N 3.34Å; V214-I217 PolarHBondContact O-N 3.41Å; V214-W218 WeakPolarHBondContact O-CB 3.35Å; V214-W218 PolarHBondContact O-N 3.09Å
215L95.6Very high93.5Very high0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-61.3-44.2177.4-80.9173.1000113F176 N195 L198 I199 V202 C211 A212 T213 W218 L219 L256F176-L215 HydrophobicContact CE1-CD2 3.77Å; F176-L215 HydrophobicContact CZ-CD1 4.29Å; F176-L215 HydrophobicContact CZ-CD2 4.04Å; N195-L215 HydrophobicContact CB-CD2 4.43Å; L198-L215 HydrophobicContact CB-CD1 3.84Å; L198-L215 HydrophobicContact CB-CD2 3.72Å; L198-L215 HydrophobicContact CB-CG 3.67Å; L198-L215 HydrophobicContact CD1-CD2 3.97Å; L198-L215 HydrophobicContact CD1-CG 4.13Å; I199-L215 HydrophobicContact CB-CD1 4.09Å; I199-L215 HydrophobicContact CD1-CD1 3.98Å; V202-L215 HydrophobicContact CG2-CD1 4.13Å; C211-L215 WeakPolarHBondContact O-CB 3.34Å; C211-L215 WeakPolarHBondContact O-CG 3.25Å; C211-L215 PolarHBondContact O-N 2.98Å; A212-L215 PolarHBondContact O-N 2.69Å; T213-L215 VanDerWaalsContact C-N 3.33Å; T213-L215 PolarHBondContact O-N 2.93Å; L215-W218 PolarHBondContact O-N 2.91Å; L215-L219 WeakPolarHBondContact O-CB 3.42Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 2.9Å; L215-L256 HydrophobicContact CB-CD1 4.02Å; L215-L256 HydrophobicContact CD1-CD1 4.35Å
216V95.9Very high93.6Very high28 Ų2845.1 Ų45.117%0.1722%0.219CC..Hα-helixtrans-58.9-51.7178.41630000110.1A212 T213 W218 T220 I253 L256 V260A212-V216 WeakPolarHBondContact O-CB 3.37Å; A212-V216 VanDerWaalsContact O-CG2 3.27Å; A212-V216 WeakPolarHBondContact O-CG2 3.38Å; A212-V216 PolarHBondContact O-N 3.37Å; T213-V216 PolarHBondContact O-N 3.11Å; V216-W218 PolarHBondContact O-N 2.74Å; V216-T220 VanDerWaalsContact O-CB 3.31Å; V216-T220 WeakPolarHBondContact O-CB 3.42Å; V216-T220 PolarHBondContact O-N 3.01Å; V216-T220 PolarHBondContact O-OG1 3.07Å; V216-I253 HydrophobicContact CG1-CG2 4.12Å; V216-L256 HydrophobicContact CG2-CB 3.62Å; V216-V260 HydrophobicContact CG2-CG2 4.27Å
217I95.2Very high93.6Very high112 Ų11242.5 Ų42.557%0.57421%0.21SC*.Hα-helixtrans-61.2-47.5-178.9-65.4168000110.6T213 V214 G221T213-I217 HydrophobicContact CG2-CD1 3.97Å; T213-I217 WeakPolarHBondContact O-CG1 3.39Å; T213-I217 PolarHBondContact O-N 2.89Å; T213-I217 VanDerWaalsContact O-N 3.08Å; V214-I217 PolarHBondContact O-N 3.41Å; I217-G221 PolarHBondContact O-N 3.17Å
218W95.4Very high93.8Very high100 Ų10047.5 Ų47.538%0.37923%0.229SC..Hα-helixtrans-67.7-49.5-176.9-176.9-105.9000112.6Q191 N195 V214 L215 V216 T220 G221 M222Q191-W218 HydrophobicContact CB-CZ2 4.45Å; Q191-W218 HydrophobicContact CG-CZ2 3.67Å; N195-W218 PolarHBondContact OD1-NE1 2.86Å; N195-W218 VanDerWaalsContact OD1-NE1 3.11Å; V214-W218 WeakPolarHBondContact O-CB 3.35Å; V214-W218 PolarHBondContact O-N 3.09Å; L215-W218 PolarHBondContact O-N 2.91Å; V216-W218 PolarHBondContact O-N 2.74Å; W218-T220 VanDerWaalsContact C-N 3.29Å; W218-T220 PolarHBondContact O-N 2.83Å; W218-G221 PolarHBondContact O-N 3.45Å; W218-M222 HydrophobicContact CD2-CG 4.28Å; W218-M222 HydrophobicContact CG-CG 4.5Å; W218-M222 HydrophobicContact CH2-CE 4.05Å; W218-M222 HydrophobicContact CZ2-CE 3.63Å; W218-M222 HydrophobicContact CZ2-CG 4.37Å; W218-M222 HydrophobicContact CZ2-SD 4.5Å; W218-M222 VanDerWaalsContact O-CG 3.24Å; W218-M222 WeakPolarHBondContact O-CG 3.28Å; W218-M222 PolarHBondContact O-N 2.94Å
219L94.8Very high93.8Very high8 Ų849 Ų494%0.04224%0.235CC..Hα-helixtrans-61.8-38.1177.6-74.3-179.6000111.7F176 L215 M222 N223 I253 L256F176-L219 HydrophobicContact CE1-CD1 3.86Å; F176-L219 HydrophobicContact CE1-CD2 4.02Å; F176-L219 HydrophobicContact CE1-CG 4.29Å; F176-L219 HydrophobicContact CE2-CD1 4.49Å; F176-L219 HydrophobicContact CZ-CD1 3.53Å; F176-L219 HydrophobicContact CZ-CG 4.42Å; L215-L219 WeakPolarHBondContact O-CB 3.42Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 2.9Å; L219-M222 PolarHBondContact O-N 3.13Å; L219-N223 WeakPolarHBondContact O-CB 3.42Å; L219-N223 PolarHBondContact O-N 3.33Å; L219-I253 HydrophobicContact CB-CD1 3.96Å; L219-I253 HydrophobicContact CB-CG1 3.81Å; L219-I253 HydrophobicContact CD1-CG1 4.29Å; L219-L256 HydrophobicContact CD1-CD1 3.95Å
220T96Very high93.9Very high39 Ų3952 Ų5224%0.23925%0.245CC..Hα-helixtrans-56.8-54.3173.8-68.40000110.5V216 W218 M222 N223 F224 W250V216-T220 VanDerWaalsContact O-CB 3.31Å; V216-T220 WeakPolarHBondContact O-CB 3.42Å; V216-T220 PolarHBondContact O-N 3.01Å; V216-T220 PolarHBondContact O-OG1 3.07Å; W218-T220 VanDerWaalsContact C-N 3.29Å; W218-T220 PolarHBondContact O-N 2.83Å; T220-M222 VanDerWaalsContact C-N 3.28Å; T220-M222 PolarHBondContact O-N 2.74Å; T220-N223 PolarHBondContact O-N 3.5Å; T220-F224 HydrophobicContact CG2-CD2 4.16Å; T220-F224 HydrophobicContact CG2-CE2 4.14Å; T220-F224 VanDerWaalsContact O-CD2 3.32Å; T220-F224 WeakPolarHBondContact O-CD2 3.39Å; T220-F224 PolarHBondContact O-N 3.29Å; T220-W250 HydrophobicContact CG2-CH2 4.06Å; T220-W250 HydrophobicContact CG2-CZ3 3.96Å
221G95.8Very high94Very high41 Ų4154.2 Ų54.242%0.42327%0.266SS..Hα-helixtrans-57.3-42.2179.300000112.8I217 W218 F224 Y225I217-G221 PolarHBondContact O-N 3.17Å; W218-G221 PolarHBondContact O-N 3.45Å; G221-F224 PolarHBondContact O-N 3.37Å; G221-Y225 PolarHBondContact O-N 3.44Å; G221-Y225 VanDerWaalsContact O-N 3.11Å
222M92.1Very high93.8Very high27 Ų2755.8 Ų55.813%0.13328%0.275CS..Hα-helixtrans-75.6-31.7-176.5-61.7-56.2-118.400112.9F187 Q191 W218 L219 T220 Y225 Y226F187-M222 HydrophobicContact CE1-CE 4.14Å; Q191-M222 HydrophobicContact CG-CE 4.37Å; W218-M222 HydrophobicContact CD2-CG 4.28Å; W218-M222 HydrophobicContact CG-CG 4.5Å; W218-M222 HydrophobicContact CH2-CE 4.05Å; W218-M222 HydrophobicContact CZ2-CE 3.63Å; W218-M222 HydrophobicContact CZ2-CG 4.37Å; W218-M222 HydrophobicContact CZ2-SD 4.5Å; W218-M222 VanDerWaalsContact O-CG 3.24Å; W218-M222 WeakPolarHBondContact O-CG 3.28Å; W218-M222 PolarHBondContact O-N 2.94Å; L219-M222 PolarHBondContact O-N 3.13Å; T220-M222 VanDerWaalsContact C-N 3.28Å; T220-M222 PolarHBondContact O-N 2.74Å; M222-Y225 PolarHBondContact O-N 3.05Å; M222-Y226 HydrophobicContact CB-CD2 4.13Å; M222-Y226 HydrophobicContact CB-CE2 4.27Å; M222-Y226 HydrophobicContact CE-CE2 3.87Å; M222-Y226 WeakPolarHBondContact O-CB 3.39Å; M222-Y226 VanDerWaalsContact O-CD2 3.3Å; M222-Y226 WeakPolarHBondContact O-CD2 3.38Å; M222-Y226 PolarHBondContact O-N 2.94Å; M222-Y226 HydrophobicContact SD-CE2 4.02Å
223N94.6Very high93.4Very high2 Ų259.6 Ų59.61%0.01130%0.302CS..Hα-helixtrans-62.9-44.9173-163.939.6000111.1L219 T220 Y225 N227 F246 T249L219-N223 WeakPolarHBondContact O-CB 3.42Å; L219-N223 PolarHBondContact O-N 3.33Å; T220-N223 PolarHBondContact O-N 3.5Å; N223-Y225 VanDerWaalsContact C-N 3.32Å; N223-Y225 PolarHBondContact O-N 3.47Å; N223-N227 WeakPolarHBondContact O-CA 3.23Å; N223-N227 VanDerWaalsContact O-CB 3.29Å; N223-N227 WeakPolarHBondContact O-CB 3.36Å; N223-N227 PolarHBondContact O-N 2.88Å; N223-N227 PolarHBondContact OD1-ND2 2.83Å; N223-F246 VanDerWaalsContact ND2-CD2 3.25Å; N223-F246 WeakPolarHBondContact ND2-CD2 3.32Å; N223-F246 VanDerWaalsContact ND2-CE2 3.34Å; N223-F246 WeakPolarHBondContact ND2-CE2 3.43Å; N223-F246 PolarHBondContact ND2-O 2.86Å; N223-F246 WeakPolarHBondContact OD1-CA 3.34Å; N223-T249 HydrophobicContact CB-CG2 4.02Å; N223-T249 WeakPolarHBondContact OD1-CB 3.28Å
224F95.3Very high93Very high95 Ų9563.5 Ų63.542%0.41732%0.322SS..Hα-helixtrans-66.4-33.1175.7-84-83.5000113.3T220 G221 W230 F246 W250T220-F224 HydrophobicContact CG2-CD2 4.16Å; T220-F224 HydrophobicContact CG2-CE2 4.14Å; T220-F224 VanDerWaalsContact O-CD2 3.32Å; T220-F224 WeakPolarHBondContact O-CD2 3.39Å; T220-F224 PolarHBondContact O-N 3.29Å; G221-F224 PolarHBondContact O-N 3.37Å; F224-W230 AromaticContact CD1-CH2 3.37Å; F224-W230 HydrophobicContact CD1-CH2 3.37Å; F224-W230 AromaticContact CD1-CZ2 3.76Å; F224-W230 HydrophobicContact CD1-CZ2 3.76Å; F224-W230 HydrophobicContact CD1-CZ3 4.39Å; F224-W230 AromaticContact CE1-CH2 3.84Å; F224-W230 HydrophobicContact CE1-CH2 3.84Å; F224-W230 HydrophobicContact CE1-CZ2 4.45Å; F224-W230 HydrophobicContact CE1-CZ3 4.47Å; F224-W230 HydrophobicContact CG-CH2 4.27Å; F224-F246 HydrophobicContact CD1-CE2 4.11Å; F224-F246 HydrophobicContact CD1-CZ 4.39Å; F224-F246 HydrophobicContact CD2-CE2 4.38Å; F224-F246 HydrophobicContact CE1-CE2 4.15Å; F224-F246 AromaticContact CE1-CZ 3.96Å; F224-F246 HydrophobicContact CE1-CZ 3.96Å; F224-F246 HydrophobicContact CE2-CE2 4.44Å; F224-F246 HydrophobicContact CE2-CZ 4.17Å; F224-F246 HydrophobicContact CG-CE2 4.21Å; F224-F246 HydrophobicContact CZ-CE2 4.31Å; F224-F246 AromaticContact CZ-CZ 3.84Å; F224-F246 HydrophobicContact CZ-CZ 3.84Å; F224-W250 HydrophobicContact CD2-CZ3 4.19Å; F224-W250 AromaticContact CE2-CH2 3.52Å; F224-W250 HydrophobicContact CE2-CH2 3.52Å; F224-W250 AromaticContact CE2-CZ3 3.49Å; F224-W250 HydrophobicContact CE2-CZ3 3.49Å; F224-W250 VanDerWaalsContact CE2-CZ3 3.49Å; F224-W250 HydrophobicContact CZ-CH2 4.09Å; F224-W250 HydrophobicContact CZ-CZ3 4.26Å
225Y92.4Very high92.3Very high143 Ų14367.9 Ų67.956%0.56134%0.343SS*.Hα-helixtrans-75.7-48.5-179.1-177.2-101.2000113G221 M222 N223 R228G221-Y225 PolarHBondContact O-N 3.44Å; G221-Y225 VanDerWaalsContact O-N 3.11Å; M222-Y225 PolarHBondContact O-N 3.05Å; N223-Y225 VanDerWaalsContact C-N 3.32Å; N223-Y225 PolarHBondContact O-N 3.47Å; Y225-R228 PolarHBondContact O-NE 2.81Å
226Y89.3Confident91.8Very high75 Ų7569.6 Ų69.629%0.29436%0.355SS..Hα-helixtrans-86.2-42.2-175.8-67.9-64.8000112.6Y188 M222 R228Y188-Y226 AromaticContact CD2-CE1 4Å; Y188-Y226 HydrophobicContact CD2-CE1 4Å; Y188-Y226 AromaticContact CD2-CE2 3.96Å; Y188-Y226 HydrophobicContact CD2-CE2 3.96Å; Y188-Y226 AromaticContact CD2-CZ 3.62Å; Y188-Y226 HydrophobicContact CE2-CD2 4.34Å; Y188-Y226 HydrophobicContact CE2-CE1 4.37Å; Y188-Y226 HydrophobicContact CE2-CE2 4.08Å; M222-Y226 HydrophobicContact CB-CD2 4.13Å; M222-Y226 HydrophobicContact CB-CE2 4.27Å; M222-Y226 HydrophobicContact CE-CE2 3.87Å; M222-Y226 WeakPolarHBondContact O-CB 3.39Å; M222-Y226 VanDerWaalsContact O-CD2 3.3Å; M222-Y226 WeakPolarHBondContact O-CD2 3.38Å; M222-Y226 PolarHBondContact O-N 2.94Å; M222-Y226 HydrophobicContact SD-CE2 4.02Å; Y226-R228 VanDerWaalsContact C-N 3.3Å; Y226-R228 PolarHBondContact O-N 2.98Å
227N91.9Very high91.5Very high22 Ų2274.1 Ų74.112%0.11838%0.378CS..  trans-96.845-174.1-58.2-35.5000112.1N223 F229 F246N223-N227 WeakPolarHBondContact O-CA 3.23Å; N223-N227 VanDerWaalsContact O-CB 3.29Å; N223-N227 WeakPolarHBondContact O-CB 3.36Å; N223-N227 PolarHBondContact O-N 2.88Å; N223-N227 PolarHBondContact OD1-ND2 2.83Å; N227-F229 PolarHBondContact O-N 3.48Å; N227-F246 HydrophobicContact CB-CB 3.8Å; N227-F246 HydrophobicContact CB-CD2 3.99Å; N227-F246 HydrophobicContact CB-CG 4.41Å; N227-F246 WeakPolarHBondContact O-CD2 3.28Å
228R91.6Very high91.2Very high126 Ų12674 Ų7448%0.47538%0.376SS..  trans-76.964.3179.852.7175.7150.292.21.7112.6Y225 Y226 W230 A231Y225-R228 PolarHBondContact O-NE 2.81Å; Y226-R228 VanDerWaalsContact C-N 3.3Å; Y226-R228 PolarHBondContact O-N 2.98Å; R228-W230 HydrophobicContact CB-CZ2 3.94Å; R228-W230 PolarHBondContact O-N 3Å; R228-A231 HydrophobicContact CB-CB 4.36Å; R228-A231 HydrophobicContact CG-CB 4.28Å; R228-A231 WeakPolarHBondContact O-CB 3.44Å; R228-A231 PolarHBondContact O-N 3.5Å
229F92.5Very high91.1Very high31 Ų3171 Ų7114%0.13637%0.365CS..G310 helixtrans-58-32.8-178.565.7-93.2000112.7N227 A231 V232 W239 L242 K243 F246 F247N227-F229 PolarHBondContact O-N 3.48Å; F229-A231 PolarHBondContact O-N 3.15Å; F229-A231 VanDerWaalsContact O-N 3.13Å; F229-V232 PolarHBondContact O-N 3.06Å; F229-W239 HydrophobicContact CD2-CZ2 4.39Å; F229-W239 AromaticContact CD2-NE1 3.78Å; F229-L242 HydrophobicContact CB-CB 3.69Å; F229-K243 HydrophobicContact CB-CB 4.01Å; F229-K243 HydrophobicContact CD1-CB 4.2Å; F229-K243 HydrophobicContact CD1-CG 4.26Å; F229-K243 HydrophobicContact CD2-CB 4.19Å; F229-K243 HydrophobicContact CD2-CD 4.37Å; F229-K243 HydrophobicContact CD2-CG 4.09Å; F229-K243 HydrophobicContact CE1-CG 4.34Å; F229-K243 HydrophobicContact CE2-CD 4.42Å; F229-K243 HydrophobicContact CE2-CG 4.2Å; F229-K243 HydrophobicContact CG-CB 3.89Å; F229-K243 HydrophobicContact CG-CG 4.13Å; F229-K243 HydrophobicContact CZ-CG 4.32Å; F229-F246 HydrophobicContact CD1-CB 3.96Å; F229-F246 HydrophobicContact CD1-CD2 4.44Å; F229-F246 HydrophobicContact CD1-CG 4.08Å; F229-F246 HydrophobicContact CE1-CB 4.12Å; F229-F246 AromaticContact CE1-CD1 3.88Å; F229-F246 HydrophobicContact CE1-CD1 3.88Å; F229-F246 HydrophobicContact CE1-CD2 4.31Å; F229-F246 HydrophobicContact CE1-CE1 4.41Å; F229-F246 AromaticContact CE1-CG 3.84Å; F229-F246 HydrophobicContact CE1-CG 3.84Å; F229-F247 HydrophobicContact CE1-CE2 4.22Å; F229-F247 HydrophobicContact CZ-CE2 4.21Å
230W92.7Very high90.9Very high129 Ų12972.6 Ų72.649%0.48937%0.373SS..G310 helixtrans-64.6-13176.553.181000115.1F224 R228 V232 F246F224-W230 AromaticContact CD1-CH2 3.37Å; F224-W230 HydrophobicContact CD1-CH2 3.37Å; F224-W230 AromaticContact CD1-CZ2 3.76Å; F224-W230 HydrophobicContact CD1-CZ2 3.76Å; F224-W230 HydrophobicContact CD1-CZ3 4.39Å; F224-W230 AromaticContact CE1-CH2 3.84Å; F224-W230 HydrophobicContact CE1-CH2 3.84Å; F224-W230 HydrophobicContact CE1-CZ2 4.45Å; F224-W230 HydrophobicContact CE1-CZ3 4.47Å; F224-W230 HydrophobicContact CG-CH2 4.27Å; R228-W230 HydrophobicContact CB-CZ2 3.94Å; R228-W230 PolarHBondContact O-N 3Å; W230-V232 VanDerWaalsContact C-N 3.34Å; W230-F246 HydrophobicContact CH2-CD2 4.14Å; W230-F246 AromaticContact CH2-CE2 3.68Å; W230-F246 HydrophobicContact CH2-CE2 3.68Å; W230-F246 HydrophobicContact CH2-CZ 4.34Å; W230-F246 HydrophobicContact CZ3-CD2 4.05Å; W230-F246 AromaticContact CZ3-CE2 3.78Å; W230-F246 HydrophobicContact CZ3-CE2 3.78Å; W230-F246 HydrophobicContact CZ3-CZ 4.19Å
231A92.6Very high90.6Very high67 Ų6776.3 Ų76.355%0.55439%0.386SS*.G310 helixtrans-89.8-2.1175.400000112.9R228 F229R228-A231 HydrophobicContact CB-CB 4.36Å; R228-A231 HydrophobicContact CG-CB 4.28Å; R228-A231 WeakPolarHBondContact O-CB 3.44Å; R228-A231 PolarHBondContact O-N 3.5Å; F229-A231 PolarHBondContact O-N 3.15Å; F229-A231 VanDerWaalsContact O-N 3.13Å
232V90.6Very high90.5Very high43 Ų4375.8 Ų75.826%0.26137%0.374SS..SBendtrans-115.2150.4-178.1-176.40000108.8F229 W230 N234 S236 M238 W239 L242F229-V232 PolarHBondContact O-N 3.06Å; W230-V232 VanDerWaalsContact C-N 3.34Å; V232-N234 PolarHBondContact O-N 3.34Å; V232-S236 VanDerWaalsContact CG1-OG 3.24Å; V232-S236 WeakPolarHBondContact CG1-OG 3.08Å; V232-M238 HydrophobicContact CG1-CB 4.36Å; V232-M238 HydrophobicContact CG1-CG 4.41Å; V232-W239 HydrophobicContact CG1-CB 4.44Å; V232-L242 HydrophobicContact CG2-CD1 3.73Å
233S88.5Confident90.6Very high79 Ų7976 Ų7655%0.55237%0.374SS*.  trans-62.3134.6176.6-173.20000111.5D235 S236 W239S233-D235 PolarHBondContact O-N 2.92Å; S233-D235 VanDerWaalsContact O-N 3.16Å; S233-S236 PolarHBondContact O-N 3.46Å; S233-S236 PolarHBondContact O-OG 2.95Å; S233-W239 VanDerWaalsContact O-CB 3.31Å; S233-W239 WeakPolarHBondContact O-CB 3.22Å
234N83.9Confident90.6Very high101 Ų10178.7 Ų78.754%0.5438%0.384SS..THydrogen-bonded Turntrans-62.8-21.1-175.8-64-8.5000113.8V232 S236 W239V232-N234 PolarHBondContact O-N 3.34Å; N234-S236 VanDerWaalsContact C-N 3.3Å; N234-S236 PolarHBondContact O-N 2.71Å; N234-W239 HydrophobicContact CB-CD2 4.43Å; N234-W239 HydrophobicContact CB-CZ2 4.5Å; N234-W239 PolarHBondContact OD1-NE1 3.32Å
235D81.3Confident90.4Very high157 Ų15775.9 Ų75.984%0.8437%0.374SS*.THydrogen-bonded Turntrans-86.6-0.8-177.7-56.7-28.4000113.2S233S233-D235 PolarHBondContact O-N 2.92Å; S233-D235 VanDerWaalsContact O-N 3.16Å
236S86.2Confident90.6Very high37 Ų3769.7 Ų69.726%0.25935%0.35SS..SBendtrans-93.9141.2-177.471.10000111.8V232 S233 N234 M238 W239V232-S236 VanDerWaalsContact CG1-OG 3.24Å; V232-S236 WeakPolarHBondContact CG1-OG 3.08Å; S233-S236 PolarHBondContact O-N 3.46Å; S233-S236 PolarHBondContact O-OG 2.95Å; N234-S236 VanDerWaalsContact C-N 3.3Å; N234-S236 PolarHBondContact O-N 2.71Å; S236-M238 PolarHBondContact O-N 3.5Å; S236-M238 VanDerWaalsContact O-N 3.08Å; S236-W239 VanDerWaalsContact O-CB 3.26Å; S236-W239 WeakPolarHBondContact O-CB 3.22Å; S236-W239 PolarHBondContact O-N 2.92Å; S236-W239 PolarHBondContact OG-N 2.91Å
237L88.4Confident90.9Very high123 Ų12367.9 Ų67.964%0.64434%0.344SS*.Hα-helixtrans-54.2-30.6172-179.464.4000112.6W239 D240 F241L237-W239 VanDerWaalsContact C-N 3.3Å; L237-W239 PolarHBondContact O-N 3.04Å; L237-D240 PolarHBondContact O-N 3.36Å; L237-F241 HydrophobicContact CD1-CD2 4.18Å; L237-F241 HydrophobicContact CD1-CE2 3.73Å; L237-F241 HydrophobicContact CD1-CZ 4.27Å; L237-F241 HydrophobicContact CD2-CD2 4.42Å; L237-F241 HydrophobicContact CD2-CE2 3.67Å; L237-F241 HydrophobicContact CG-CD2 3.75Å; L237-F241 HydrophobicContact CG-CE2 3.4Å; L237-F241 VanDerWaalsContact CG-CE2 3.4Å; L237-F241 HydrophobicContact CG-CZ 4.36Å; L237-F241 WeakPolarHBondContact O-CD2 3.28Å; L237-F241 PolarHBondContact O-N 3.44Å; L237-F241 VanDerWaalsContact O-N 3.09Å
238M89.6Confident91Very high109 Ų10967 Ų6754%0.53734%0.339SS..Hα-helixtrans-63.9-35.2175.6-174.561.569.100112.4V232 S236 F241 L242V232-M238 HydrophobicContact CG1-CB 4.36Å; V232-M238 HydrophobicContact CG1-CG 4.41Å; S236-M238 PolarHBondContact O-N 3.5Å; S236-M238 VanDerWaalsContact O-N 3.08Å; M238-F241 PolarHBondContact O-N 2.86Å; M238-L242 HydrophobicContact CG-CD1 3.94Å; M238-L242 HydrophobicContact CG-CG 4.28Å; M238-L242 WeakPolarHBondContact O-CB 3.37Å; M238-L242 VanDerWaalsContact O-CG 3.28Å; M238-L242 WeakPolarHBondContact O-CG 3.47Å; M238-L242 PolarHBondContact O-N 3.33Å; M238-L242 HydrophobicContact SD-CD1 4.36Å; M238-L242 HydrophobicContact SD-CG 4.18Å
239W92.1Very high91.2Very high36 Ų3661.4 Ų61.414%0.13632%0.319CS..Hα-helixtrans-63.1-46.4176.6-178.896.2000111.3F229 V232 S233 N234 S236 L237 F241 L242 K243F229-W239 HydrophobicContact CD2-CZ2 4.39Å; F229-W239 AromaticContact CD2-NE1 3.78Å; V232-W239 HydrophobicContact CG1-CB 4.44Å; S233-W239 VanDerWaalsContact O-CB 3.31Å; S233-W239 WeakPolarHBondContact O-CB 3.22Å; N234-W239 HydrophobicContact CB-CD2 4.43Å; N234-W239 HydrophobicContact CB-CZ2 4.5Å; N234-W239 PolarHBondContact OD1-NE1 3.32Å; S236-W239 VanDerWaalsContact O-CB 3.26Å; S236-W239 WeakPolarHBondContact O-CB 3.22Å; S236-W239 PolarHBondContact O-N 2.92Å; S236-W239 PolarHBondContact OG-N 2.91Å; L237-W239 VanDerWaalsContact C-N 3.3Å; L237-W239 PolarHBondContact O-N 3.04Å; W239-F241 PolarHBondContact O-N 3.2Å; W239-L242 PolarHBondContact O-N 2.92Å; W239-K243 HydrophobicContact CE3-CD 4.23Å; W239-K243 HydrophobicContact CH2-CD 3.48Å; W239-K243 VanDerWaalsContact CH2-CD 3.48Å; W239-K243 HydrophobicContact CZ2-CD 3.82Å; W239-K243 HydrophobicContact CZ3-CD 3.69Å; W239-K243 VanDerWaalsContact O-CB 3.23Å; W239-K243 WeakPolarHBondContact O-CB 3.37Å; W239-K243 PolarHBondContact O-N 3.39Å
240D91.3Very high91.3Very high42 Ų4262 Ų6223%0.22532%0.32CS..Hα-helixtrans-61.2-44.3176.7-77.2-34.8000111.5Q55 L237 K243 Y244Q55-D240 PolarHBondContact NE2-OD1 2.88Å; Q55-D240 PolarHBondContact NE2-OD2 3.46Å; L237-D240 PolarHBondContact O-N 3.36Å; D240-K243 PolarHBondContact O-N 3.48Å; D240-Y244 WeakPolarHBondContact O-CB 3.21Å; D240-Y244 PolarHBondContact O-N 3.09Å
241F90.5Very high91.5Very high117 Ų11755.8 Ų55.851%0.51330%0.297SS..Hα-helixtrans-62.3-48177-80-56000112.8L237 M238 W239 K243 Y244 D245L237-F241 HydrophobicContact CD1-CD2 4.18Å; L237-F241 HydrophobicContact CD1-CE2 3.73Å; L237-F241 HydrophobicContact CD1-CZ 4.27Å; L237-F241 HydrophobicContact CD2-CD2 4.42Å; L237-F241 HydrophobicContact CD2-CE2 3.67Å; L237-F241 HydrophobicContact CG-CD2 3.75Å; L237-F241 HydrophobicContact CG-CE2 3.4Å; L237-F241 VanDerWaalsContact CG-CE2 3.4Å; L237-F241 HydrophobicContact CG-CZ 4.36Å; L237-F241 WeakPolarHBondContact O-CD2 3.28Å; L237-F241 PolarHBondContact O-N 3.44Å; L237-F241 VanDerWaalsContact O-N 3.09Å; M238-F241 PolarHBondContact O-N 2.86Å; W239-F241 PolarHBondContact O-N 3.2Å; F241-K243 VanDerWaalsContact C-N 3.3Å; F241-K243 PolarHBondContact O-N 2.93Å; F241-Y244 PolarHBondContact O-N 3.08Å; F241-D245 WeakPolarHBondContact O-CB 3.15Å; F241-D245 PolarHBondContact O-N 2.66Å
242L93.6Very high91.7Very high31 Ų3152.7 Ų52.716%0.16227%0.271CS..Hα-helixtrans-64.6-37.2179.3-71.4171.9000111.5F229 V232 M238 W239 F246F229-L242 HydrophobicContact CB-CB 3.69Å; V232-L242 HydrophobicContact CG2-CD1 3.73Å; M238-L242 HydrophobicContact CG-CD1 3.94Å; M238-L242 HydrophobicContact CG-CG 4.28Å; M238-L242 WeakPolarHBondContact O-CB 3.37Å; M238-L242 VanDerWaalsContact O-CG 3.28Å; M238-L242 WeakPolarHBondContact O-CG 3.47Å; M238-L242 PolarHBondContact O-N 3.33Å; M238-L242 HydrophobicContact SD-CD1 4.36Å; M238-L242 HydrophobicContact SD-CG 4.18Å; W239-L242 PolarHBondContact O-N 2.92Å; L242-F246 VanDerWaalsContact O-CB 3.28Å; L242-F246 WeakPolarHBondContact O-CB 3.2Å; L242-F246 PolarHBondContact O-N 3.41Å
243K94.6Very high92Very high31 Ų3151 Ų5114%0.13526%0.26CS..Hα-helixtrans-67.8-47.2177.9-168.8-178.5-178.1-146.60110.8E47 F229 W239 D240 F241 D245 F246 F247E47-K243 HydrophobicContact CG-CD 4.5Å; E47-K243 WeakPolarHBondContact OE1-CD 3.41Å; E47-K243 WeakPolarHBondContact OE1-CE 3.4Å; E47-K243 IonicContact OE1-NZ 2.66Å; E47-K243 PolarHBondContact OE1-NZ 3.37Å; F229-K243 HydrophobicContact CB-CB 4.01Å; F229-K243 HydrophobicContact CD1-CB 4.2Å; F229-K243 HydrophobicContact CD1-CG 4.26Å; F229-K243 HydrophobicContact CD2-CB 4.19Å; F229-K243 HydrophobicContact CD2-CD 4.37Å; F229-K243 HydrophobicContact CD2-CG 4.09Å; F229-K243 HydrophobicContact CE1-CG 4.34Å; F229-K243 HydrophobicContact CE2-CD 4.42Å; F229-K243 HydrophobicContact CE2-CG 4.2Å; F229-K243 HydrophobicContact CG-CB 3.89Å; F229-K243 HydrophobicContact CG-CG 4.13Å; F229-K243 HydrophobicContact CZ-CG 4.32Å; W239-K243 HydrophobicContact CE3-CD 4.23Å; W239-K243 HydrophobicContact CH2-CD 3.48Å; W239-K243 VanDerWaalsContact CH2-CD 3.48Å; W239-K243 HydrophobicContact CZ2-CD 3.82Å; W239-K243 HydrophobicContact CZ3-CD 3.69Å; W239-K243 VanDerWaalsContact O-CB 3.23Å; W239-K243 WeakPolarHBondContact O-CB 3.37Å; W239-K243 PolarHBondContact O-N 3.39Å; D240-K243 PolarHBondContact O-N 3.48Å; F241-K243 VanDerWaalsContact C-N 3.3Å; F241-K243 PolarHBondContact O-N 2.93Å; K243-D245 VanDerWaalsContact C-N 3.35Å; K243-D245 PolarHBondContact O-N 3.43Å; K243-F246 WeakPolarHBondContact O-CB 3.4Å; K243-F246 PolarHBondContact O-N 3.36Å; K243-F247 HydrophobicContact CG-CD2 3.92Å; K243-F247 HydrophobicContact CG-CE2 3.86Å; K243-F247 VanDerWaalsContact O-CD2 3.28Å; K243-F247 WeakPolarHBondContact O-CD2 3.25Å; K243-F247 PolarHBondContact O-N 3.12Å
244Y93Very high92.4Very high58 Ų5847.2 Ų47.223%0.22723%0.234CC..Hα-helixtrans-55.2-49.9173.4171.3-96.4000111.3F123 D240 F241 F246 F247 Q248F123-Y244 WeakPolarHBondContact CD2-OH 3.4Å; D240-Y244 WeakPolarHBondContact O-CB 3.21Å; D240-Y244 PolarHBondContact O-N 3.09Å; F241-Y244 PolarHBondContact O-N 3.08Å; Y244-F246 VanDerWaalsContact C-N 3.3Å; Y244-F246 PolarHBondContact O-N 2.83Å; Y244-F247 PolarHBondContact O-N 2.99Å; Y244-Q248 HydrophobicContact CD1-CG 4.13Å; Y244-Q248 HydrophobicContact CD2-CG 4.14Å; Y244-Q248 HydrophobicContact CE1-CG 3.77Å; Y244-Q248 HydrophobicContact CE2-CG 3.8Å; Y244-Q248 VanDerWaalsContact CE2-NE2 3.33Å; Y244-Q248 HydrophobicContact CG-CG 4.3Å; Y244-Q248 VanDerWaalsContact CZ-NE2 3.34Å; Y244-Q248 VanDerWaalsContact O-CB 3.28Å; Y244-Q248 WeakPolarHBondContact O-CB 3.23Å; Y244-Q248 VanDerWaalsContact O-CG 3.22Å; Y244-Q248 WeakPolarHBondContact O-CG 2.99Å; Y244-Q248 PolarHBondContact O-N 3.24Å; Y244-Q248 PolarHBondContact OH-NE2 3.39Å; Y244-Q248 VanDerWaalsContact OH-NE2 3.13Å
245D92.6Very high92.9Very high37 Ų3742.4 Ų42.420%0.19821%0.208CC..Hα-helixtrans-62.2-37.5178.7-85.727000112.5R126 F241 K243 T249R126-D245 IonicContact CZ-OD1 3.48Å; R126-D245 VanDerWaalsContact CZ-OD1 3.26Å; R126-D245 IonicContact CZ-OD2 3.26Å; R126-D245 IonicContact NH1-OD1 2.66Å; R126-D245 PolarHBondContact NH1-OD1 3.37Å; R126-D245 IonicContact NH1-OD2 3.86Å; R126-D245 PolarHBondContact NH1-OD2 3.16Å; R126-D245 IonicContact NH2-OD1 2.72Å; R126-D245 PolarHBondContact NH2-OD1 3.33Å; R126-D245 IonicContact NH2-OD2 3.23Å; R126-D245 PolarHBondContact NH2-OD2 2.89Å; F241-D245 WeakPolarHBondContact O-CB 3.15Å; F241-D245 PolarHBondContact O-N 2.66Å; K243-D245 VanDerWaalsContact C-N 3.35Å; K243-D245 PolarHBondContact O-N 3.43Å; D245-T249 WeakPolarHBondContact O-CB 3.33Å; D245-T249 PolarHBondContact O-N 3.34Å; D245-T249 PolarHBondContact O-OG1 3.42Å
246F95.6Very high93.6Very high12 Ų1235 Ų355%0.05317%0.168CC..Hα-helixtrans-59.9-53.5175.6-176-88.1000111.1N223 F224 N227 F229 W230 L242 K243 Y244 T249 W250N223-F246 VanDerWaalsContact ND2-CD2 3.25Å; N223-F246 WeakPolarHBondContact ND2-CD2 3.32Å; N223-F246 VanDerWaalsContact ND2-CE2 3.34Å; N223-F246 WeakPolarHBondContact ND2-CE2 3.43Å; N223-F246 PolarHBondContact ND2-O 2.86Å; N223-F246 WeakPolarHBondContact OD1-CA 3.34Å; F224-F246 HydrophobicContact CD1-CE2 4.11Å; F224-F246 HydrophobicContact CD1-CZ 4.39Å; F224-F246 HydrophobicContact CD2-CE2 4.38Å; F224-F246 HydrophobicContact CE1-CE2 4.15Å; F224-F246 AromaticContact CE1-CZ 3.96Å; F224-F246 HydrophobicContact CE1-CZ 3.96Å; F224-F246 HydrophobicContact CE2-CE2 4.44Å; F224-F246 HydrophobicContact CE2-CZ 4.17Å; F224-F246 HydrophobicContact CG-CE2 4.21Å; F224-F246 HydrophobicContact CZ-CE2 4.31Å; F224-F246 AromaticContact CZ-CZ 3.84Å; F224-F246 HydrophobicContact CZ-CZ 3.84Å; N227-F246 HydrophobicContact CB-CB 3.8Å; N227-F246 HydrophobicContact CB-CD2 3.99Å; N227-F246 HydrophobicContact CB-CG 4.41Å; N227-F246 WeakPolarHBondContact O-CD2 3.28Å; F229-F246 HydrophobicContact CD1-CB 3.96Å; F229-F246 HydrophobicContact CD1-CD2 4.44Å; F229-F246 HydrophobicContact CD1-CG 4.08Å; F229-F246 HydrophobicContact CE1-CB 4.12Å; F229-F246 AromaticContact CE1-CD1 3.88Å; F229-F246 HydrophobicContact CE1-CD1 3.88Å; F229-F246 HydrophobicContact CE1-CD2 4.31Å; F229-F246 HydrophobicContact CE1-CE1 4.41Å; F229-F246 AromaticContact CE1-CG 3.84Å; F229-F246 HydrophobicContact CE1-CG 3.84Å; W230-F246 HydrophobicContact CH2-CD2 4.14Å; W230-F246 AromaticContact CH2-CE2 3.68Å; W230-F246 HydrophobicContact CH2-CE2 3.68Å; W230-F246 HydrophobicContact CH2-CZ 4.34Å; W230-F246 HydrophobicContact CZ3-CD2 4.05Å; W230-F246 AromaticContact CZ3-CE2 3.78Å; W230-F246 HydrophobicContact CZ3-CE2 3.78Å; W230-F246 HydrophobicContact CZ3-CZ 4.19Å; L242-F246 VanDerWaalsContact O-CB 3.28Å; L242-F246 WeakPolarHBondContact O-CB 3.2Å; L242-F246 PolarHBondContact O-N 3.41Å; K243-F246 WeakPolarHBondContact O-CB 3.4Å; K243-F246 PolarHBondContact O-N 3.36Å; Y244-F246 VanDerWaalsContact C-N 3.3Å; Y244-F246 PolarHBondContact O-N 2.83Å; F246-T249 PolarHBondContact O-N 3.18Å; F246-W250 HydrophobicContact CE1-CD2 4.42Å; F246-W250 HydrophobicContact CE1-CE3 4.37Å; F246-W250 HydrophobicContact CZ-CE3 4.18Å; F246-W250 HydrophobicContact CZ-CZ3 4.36Å; F246-W250 WeakPolarHBondContact O-CB 3.47Å; F246-W250 PolarHBondContact O-N 3.44Å
247F96.6Very high94.1Very high38 Ų3833.4 Ų33.417%0.16716%0.158CC..Hα-helixtrans-74.3-31.3-175.7-78-79.4000113.1E47 F229 K243 Y244 W250 S251E47-F247 HydrophobicContact CB-CD1 4.03Å; E47-F247 HydrophobicContact CB-CD2 4.01Å; E47-F247 HydrophobicContact CB-CE1 4.16Å; E47-F247 HydrophobicContact CB-CE2 4.18Å; E47-F247 HydrophobicContact CB-CG 3.96Å; E47-F247 HydrophobicContact CB-CZ 4.24Å; E47-F247 HydrophobicContact CG-CD1 4.46Å; E47-F247 HydrophobicContact CG-CD2 3.58Å; E47-F247 HydrophobicContact CG-CE1 4.43Å; E47-F247 HydrophobicContact CG-CE2 3.58Å; E47-F247 HydrophobicContact CG-CG 4.06Å; E47-F247 HydrophobicContact CG-CZ 4.02Å; F229-F247 HydrophobicContact CE1-CE2 4.22Å; F229-F247 HydrophobicContact CZ-CE2 4.21Å; K243-F247 HydrophobicContact CG-CD2 3.92Å; K243-F247 HydrophobicContact CG-CE2 3.86Å; K243-F247 VanDerWaalsContact O-CD2 3.28Å; K243-F247 WeakPolarHBondContact O-CD2 3.25Å; K243-F247 PolarHBondContact O-N 3.12Å; Y244-F247 PolarHBondContact O-N 2.99Å; F247-W250 WeakPolarHBondContact O-CB 3.41Å; F247-W250 PolarHBondContact O-N 2.86Å; F247-S251 PolarHBondContact O-N 3.01Å
248Q94.2Very high94.3Very high4 Ų427.8 Ų27.82%0.01913%0.128CC..Hα-helixtrans-59.5-49.9169.6-80.6-72.4-7.800111.7L130 M175 Y244 W250 S251 V252L130-Q248 VanDerWaalsContact CD1-NE2 3.28Å; M175-Q248 HydrophobicContact CE-CB 3.94Å; Y244-Q248 HydrophobicContact CD1-CG 4.13Å; Y244-Q248 HydrophobicContact CD2-CG 4.14Å; Y244-Q248 HydrophobicContact CE1-CG 3.77Å; Y244-Q248 HydrophobicContact CE2-CG 3.8Å; Y244-Q248 VanDerWaalsContact CE2-NE2 3.33Å; Y244-Q248 HydrophobicContact CG-CG 4.3Å; Y244-Q248 VanDerWaalsContact CZ-NE2 3.34Å; Y244-Q248 VanDerWaalsContact O-CB 3.28Å; Y244-Q248 WeakPolarHBondContact O-CB 3.23Å; Y244-Q248 VanDerWaalsContact O-CG 3.22Å; Y244-Q248 WeakPolarHBondContact O-CG 2.99Å; Y244-Q248 PolarHBondContact O-N 3.24Å; Y244-Q248 PolarHBondContact OH-NE2 3.39Å; Y244-Q248 VanDerWaalsContact OH-NE2 3.13Å; Q248-W250 VanDerWaalsContact C-N 3.29Å; Q248-W250 PolarHBondContact O-N 3.08Å; Q248-S251 WeakPolarHBondContact O-CB 3.18Å; Q248-S251 PolarHBondContact O-N 2.95Å; Q248-V252 PolarHBondContact O-N 3.37Å
249T94.4Very high94.5Very high8 Ų822.7 Ų22.75%0.04910%0.103CC..Hα-helixtrans-63.6-39.4176.6-54.20000110.7N223 D245 F246 S251 V252 I253N223-T249 HydrophobicContact CB-CG2 4.02Å; N223-T249 WeakPolarHBondContact OD1-CB 3.28Å; D245-T249 WeakPolarHBondContact O-CB 3.33Å; D245-T249 PolarHBondContact O-N 3.34Å; D245-T249 PolarHBondContact O-OG1 3.42Å; F246-T249 PolarHBondContact O-N 3.18Å; T249-S251 VanDerWaalsContact C-N 3.27Å; T249-S251 PolarHBondContact O-N 2.94Å; T249-V252 PolarHBondContact O-N 3.45Å; T249-I253 HydrophobicContact CG2-CD1 4.15Å; T249-I253 WeakPolarHBondContact O-CG1 3.25Å; T249-I253 PolarHBondContact O-N 3.36Å
250W95.9Very high94.6Very high42 Ų4221.3 Ų21.316%0.15910%0.099CC..Hα-helixtrans-59.5-37.6175.3-150.4-114.3000112.4C40 S43 T220 F224 F246 F247 Q248 I253 G254C40-W250 VanDerWaalsContact CA-CD1 3.45Å; C40-W250 HydrophobicContact CB-CG 4.37Å; C40-W250 WeakPolarHBondContact CB-O 3.49Å; C40-W250 CarbonylContact O-C 3.59Å; C40-W250 VanDerWaalsContact SG-CE2 3.6Å; C40-W250 PolarHBondContact SG-NE1 3.33Å; S43-W250 VanDerWaalsContact OG-CD1 3.28Å; T220-W250 HydrophobicContact CG2-CH2 4.06Å; T220-W250 HydrophobicContact CG2-CZ3 3.96Å; F224-W250 HydrophobicContact CD2-CZ3 4.19Å; F224-W250 AromaticContact CE2-CH2 3.52Å; F224-W250 HydrophobicContact CE2-CH2 3.52Å; F224-W250 AromaticContact CE2-CZ3 3.49Å; F224-W250 HydrophobicContact CE2-CZ3 3.49Å; F224-W250 VanDerWaalsContact CE2-CZ3 3.49Å; F224-W250 HydrophobicContact CZ-CH2 4.09Å; F224-W250 HydrophobicContact CZ-CZ3 4.26Å; F246-W250 HydrophobicContact CE1-CD2 4.42Å; F246-W250 HydrophobicContact CE1-CE3 4.37Å; F246-W250 HydrophobicContact CZ-CE3 4.18Å; F246-W250 HydrophobicContact CZ-CZ3 4.36Å; F246-W250 WeakPolarHBondContact O-CB 3.47Å; F246-W250 PolarHBondContact O-N 3.44Å; F247-W250 WeakPolarHBondContact O-CB 3.41Å; F247-W250 PolarHBondContact O-N 2.86Å; Q248-W250 VanDerWaalsContact C-N 3.29Å; Q248-W250 PolarHBondContact O-N 3.08Å; W250-I253 HydrophobicContact CE3-CD1 3.85Å; W250-I253 HydrophobicContact CZ3-CD1 4.21Å; W250-I253 WeakPolarHBondContact O-CB 3.28Å; W250-I253 PolarHBondContact O-N 2.99Å; W250-G254 PolarHBondContact O-N 3.41Å
251S96.8Very high94.5Very high0 Ų019.8 Ų19.80%09%0.092CC..Hα-helixtrans-66.6-40.8176.8-169.40000112.6C40 L41 L130 F247 Q248 T249 G254 G255C40-S251 WeakPolarHBondContact O-CA 3.28Å; L41-S251 WeakPolarHBondContact O-CB 3.19Å; L41-S251 PolarHBondContact O-OG 3.45Å; L130-S251 VanDerWaalsContact CD2-CB 3.45Å; L130-S251 VanDerWaalsContact CD2-OG 3.27Å; L130-S251 WeakPolarHBondContact CD2-OG 3.37Å; F247-S251 PolarHBondContact O-N 3.01Å; Q248-S251 WeakPolarHBondContact O-CB 3.18Å; Q248-S251 PolarHBondContact O-N 2.95Å; T249-S251 VanDerWaalsContact C-N 3.27Å; T249-S251 PolarHBondContact O-N 2.94Å; S251-G254 WeakPolarHBondContact O-CA 3.5Å; S251-G254 PolarHBondContact O-N 2.92Å; S251-G254 VanDerWaalsContact O-N 3.12Å; S251-G255 PolarHBondContact O-N 3.33Å
252V95.7Very high94.3Very high1 Ų116.8 Ų16.81%0.0068%0.078CC..Hα-helixtrans-66.5-38.6174.41750000111.6S129 M175 F176 Q248 T249 G254 G255 L256S129-V252 WeakPolarHBondContact OG-CG2 3.32Å; M175-V252 HydrophobicContact CB-CG2 3.92Å; M175-V252 HydrophobicContact CE-CG2 3.57Å; M175-V252 HydrophobicContact CG-CB 4.49Å; M175-V252 HydrophobicContact CG-CG2 3.86Å; F176-V252 HydrophobicContact CE2-CG1 4.11Å; Q248-V252 PolarHBondContact O-N 3.37Å; T249-V252 PolarHBondContact O-N 3.45Å; V252-G254 VanDerWaalsContact C-N 3.25Å; V252-G254 PolarHBondContact O-N 3.03Å; V252-G255 PolarHBondContact O-N 3.33Å; V252-L256 HydrophobicContact CG1-CD1 4.23Å; V252-L256 WeakPolarHBondContact O-CB 3.38Å; V252-L256 WeakPolarHBondContact O-CG 3.41Å; V252-L256 PolarHBondContact O-N 2.95Å
253I96.6Very high94Very high8 Ų815.5 Ų15.54%0.0417%0.072CC..Hα-helixtrans-58.4-41.2170.1-68.9162.8000110.3V216 L219 T249 W250 L256 G257V216-I253 HydrophobicContact CG1-CG2 4.12Å; L219-I253 HydrophobicContact CB-CD1 3.96Å; L219-I253 HydrophobicContact CB-CG1 3.81Å; L219-I253 HydrophobicContact CD1-CG1 4.29Å; T249-I253 HydrophobicContact CG2-CD1 4.15Å; T249-I253 WeakPolarHBondContact O-CG1 3.25Å; T249-I253 PolarHBondContact O-N 3.36Å; W250-I253 HydrophobicContact CE3-CD1 3.85Å; W250-I253 HydrophobicContact CZ3-CD1 4.21Å; W250-I253 WeakPolarHBondContact O-CB 3.28Å; W250-I253 PolarHBondContact O-N 2.99Å; I253-L256 PolarHBondContact O-N 3.38Å; I253-G257 PolarHBondContact O-N 3.17Å
254G96.7Very high93.4Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-59.7-48.7172.800000113A37 W250 S251 V252 L256 G257 L258A37-G254 WeakPolarHBondContact CB-O 3.4Å; A37-G254 VanDerWaalsContact O-CA 3.25Å; A37-G254 WeakPolarHBondContact O-CA 3.29Å; W250-G254 PolarHBondContact O-N 3.41Å; S251-G254 WeakPolarHBondContact O-CA 3.5Å; S251-G254 PolarHBondContact O-N 2.92Å; S251-G254 VanDerWaalsContact O-N 3.12Å; V252-G254 VanDerWaalsContact C-N 3.25Å; V252-G254 PolarHBondContact O-N 3.03Å; G254-L256 PolarHBondContact O-N 3.43Å; G254-G257 PolarHBondContact O-N 3.03Å; G254-L258 PolarHBondContact O-N 3.39Å; G254-L258 VanDerWaalsContact O-N 3.13Å
255G95.8Very high92.8Very high0 Ų013.2 Ų13.20%07%0.071CC..Hα-helixtrans-58.3-45.4175.200000112.9S251 V252 L258 V259S251-G255 PolarHBondContact O-N 3.33Å; V252-G255 PolarHBondContact O-N 3.33Å; G255-L258 WeakPolarHBondContact O-CB 3.46Å; G255-L258 PolarHBondContact O-N 3.4Å; G255-V259 PolarHBondContact O-N 2.95Å
256L96Very high92.1Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-65.7-36.6174.7-72.8171.8000112.3I172 F176 I199 V202 A212 L215 V216 L219 V252 I253 G254 L258 V259 V260I172-L256 HydrophobicContact CD1-CD2 3.67Å; I172-L256 HydrophobicContact CD1-CG 4.29Å; F176-L256 HydrophobicContact CZ-CD1 4.18Å; I199-L256 HydrophobicContact CD1-CD2 3.73Å; V202-L256 HydrophobicContact CG1-CD2 4.25Å; A212-L256 HydrophobicContact CB-CD2 4.43Å; L215-L256 HydrophobicContact CB-CD1 4.02Å; L215-L256 HydrophobicContact CD1-CD1 4.35Å; V216-L256 HydrophobicContact CG2-CB 3.62Å; L219-L256 HydrophobicContact CD1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CD1 4.23Å; V252-L256 WeakPolarHBondContact O-CB 3.38Å; V252-L256 WeakPolarHBondContact O-CG 3.41Å; V252-L256 PolarHBondContact O-N 2.95Å; I253-L256 PolarHBondContact O-N 3.38Å; G254-L256 PolarHBondContact O-N 3.43Å; L256-L258 PolarHBondContact O-N 3.34Å; L256-V259 CarbonylContact O-C 3.55Å; L256-V259 WeakPolarHBondContact O-CA 3.49Å; L256-V259 WeakPolarHBondContact O-CB 3.38Å; L256-V259 PolarHBondContact O-N 2.88Å; L256-V260 WeakPolarHBondContact O-CG2 3.35Å; L256-V260 PolarHBondContact O-N 3.48Å
257G95.5Very high91.1Very high4 Ų414 Ų144%0.0418%0.081CC..Hα-helixtrans-59-35.1174.300000112.6I253 G254 V260 A261I253-G257 PolarHBondContact O-N 3.17Å; G254-G257 PolarHBondContact O-N 3.03Å; G257-V260 PolarHBondContact O-N 2.95Å; G257-A261 WeakPolarHBondContact O-CB 3.42Å; G257-A261 PolarHBondContact O-N 3.49Å
258L93.9Very high90.4Very high5 Ų512.8 Ų12.83%0.0268%0.077CC..Hα-helixtrans-68-40.4171.6-62.6172.3000111.6A37 L41 L137 G254 G255 L256 V260 A261 Y262A37-L258 HydrophobicContact CB-CD2 3.82Å; A37-L258 HydrophobicContact CB-CG 3.95Å; L41-L258 HydrophobicContact CD1-CD1 4Å; L137-L258 HydrophobicContact CB-CD1 3.74Å; L137-L258 HydrophobicContact CD1-CD1 4.14Å; G254-L258 PolarHBondContact O-N 3.39Å; G254-L258 VanDerWaalsContact O-N 3.13Å; G255-L258 WeakPolarHBondContact O-CB 3.46Å; G255-L258 PolarHBondContact O-N 3.4Å; L256-L258 PolarHBondContact O-N 3.34Å; L258-V260 VanDerWaalsContact C-N 3.3Å; L258-V260 PolarHBondContact O-N 2.98Å; L258-A261 PolarHBondContact O-N 3.06Å; L258-Y262 HydrophobicContact CD2-CE2 4.27Å; L258-Y262 WeakPolarHBondContact O-CD2 3.37Å; L258-Y262 PolarHBondContact O-N 3.13Å
259V93.5Very high89.5Confident2 Ų215.1 Ų15.11%0.0129%0.091CC..Hα-helixtrans-62.5-38.9174.21770000111.2L136 R169 V202 T208 A212 G255 L256 G263L136-V259 HydrophobicContact CD1-CG2 3.86Å; L136-V259 HydrophobicContact CD2-CG2 4.07Å; R169-V259 HydrophobicContact CG-CG2 4.39Å; V202-V259 HydrophobicContact CG1-CG1 4.11Å; T208-V259 HydrophobicContact CG2-CG1 3.44Å; T208-V259 VanDerWaalsContact CG2-CG1 3.44Å; A212-V259 HydrophobicContact CB-CB 4.42Å; A212-V259 HydrophobicContact CB-CG1 4.05Å; G255-V259 PolarHBondContact O-N 2.95Å; L256-V259 CarbonylContact O-C 3.55Å; L256-V259 WeakPolarHBondContact O-CA 3.49Å; L256-V259 WeakPolarHBondContact O-CB 3.38Å; L256-V259 PolarHBondContact O-N 2.88Å; V259-G263 WeakPolarHBondContact O-CA 3.24Å; V259-G263 PolarHBondContact O-N 3.49Å
260V93Very high88.8Confident7 Ų716.1 Ų16.14%0.04210%0.097CC..Hα-helixtrans-62.8-44.6174.2173.50000110.8V26 L33 A212 T213 V216 L256 G257 L258V26-V260 WeakPolarHBondContact CG1-O 3.45Å; V26-V260 HydrophobicContact CG2-CG1 3.38Å; L33-V260 HydrophobicContact CD2-CB 4.23Å; L33-V260 HydrophobicContact CD2-CG1 3.71Å; A212-V260 VanDerWaalsContact C-CG2 3.47Å; A212-V260 HydrophobicContact CB-CG2 3.51Å; T213-V260 WeakPolarHBondContact OG1-CG1 3.37Å; V216-V260 HydrophobicContact CG2-CG2 4.27Å; L256-V260 WeakPolarHBondContact O-CG2 3.35Å; L256-V260 PolarHBondContact O-N 3.48Å; G257-V260 PolarHBondContact O-N 2.95Å; L258-V260 VanDerWaalsContact C-N 3.3Å; L258-V260 PolarHBondContact O-N 2.98Å
261A89.8Confident87.9Confident10 Ų1015.7 Ų15.78%0.08310%0.097CC..Hα-helixtrans-69.9-40.1-177.200000113.8L33 P34 G257 L258L33-A261 HydrophobicContact CD2-CB 3.82Å; L33-A261 HydrophobicContact CG-CB 4.25Å; P34-A261 HydrophobicContact CG-CB 4.24Å; G257-A261 WeakPolarHBondContact O-CB 3.42Å; G257-A261 PolarHBondContact O-N 3.49Å; L258-A261 PolarHBondContact O-N 3.06Å
262Y86.6Confident86.8Confident55 Ų5522.7 Ų22.722%0.21613%0.125CC..Hα-helixtrans-113.1-15.7-169.5-63.2-79.3000114.3P34 E140 E144 L258P34-Y262 HydrophobicContact CB-CE2 4.27Å; P34-Y262 HydrophobicContact CG-CE2 4.19Å; E140-Y262 HydrophobicContact CB-CD2 4.45Å; E140-Y262 HydrophobicContact CB-CE2 4.37Å; E140-Y262 VanDerWaalsContact CD-CE2 3.47Å; E140-Y262 HydrophobicContact CG-CD2 3.84Å; E140-Y262 HydrophobicContact CG-CE1 4.14Å; E140-Y262 HydrophobicContact CG-CE2 3.35Å; E140-Y262 HydrophobicContact CG-CG 4.43Å; E140-Y262 VanDerWaalsContact CG-CZ 3.5Å; E140-Y262 WeakPolarHBondContact OE1-CE2 3.47Å; E140-Y262 PolarHBondContact OE1-OH 2.84Å; E144-Y262 PolarHBondContact OE1-OH 3.19Å; L258-Y262 HydrophobicContact CD2-CE2 4.27Å; L258-Y262 WeakPolarHBondContact O-CD2 3.37Å; L258-Y262 PolarHBondContact O-N 3.13Å
263G86.6Confident85.6Confident4 Ų428.2 Ų28.24%0.04115%0.149CC..  trans81.6-173.7-178.500000114.2V259 G265V259-G263 WeakPolarHBondContact O-CA 3.24Å; V259-G263 PolarHBondContact O-N 3.49Å; G263-G265 PolarHBondContact O-N 3.16Å
264P83.2Confident84.4Confident17 Ų1735.7 Ų35.711%0.1118%0.181CC..SBendtrans-80-10.9-172.829.8-35000115.3L165 R169 T208 S268 D270L165-P264 WeakPolarHBondContact CD2-O 3.31Å; R169-P264 PolarHBondContact NH2-O 2.79Å; T208-P264 HydrophobicContact CG2-CB 3.87Å; T208-P264 HydrophobicContact CG2-CG 4.28Å; T208-P264 WeakPolarHBondContact OG1-CB 3.26Å; T208-P264 WeakPolarHBondContact OG1-CG 3.35Å; P264-S268 WeakPolarHBondContact CG-OG 3.43Å; P264-D270 HydrophobicContact CG-CB 4.28Å
265G80.8Confident82.9Confident23 Ų2341.8 Ų41.824%0.23721%0.208CC..  trans70.1-175.2-166.700000113.7G263 V267 S268G263-G265 PolarHBondContact O-N 3.16Å; G265-V267 PolarHBondContact O-N 3.26Å; G265-S268 PolarHBondContact O-OG 3.08Å
266G76.2Confident80.8Confident12 Ų1253.4 Ų53.412%0.12425%0.252CS..SBendtrans-76.7-16.4-169.200000116.3E157 S268 D271E157-G266 WeakPolarHBondContact OE1-CA 3.4Å; G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 2.85Å; G266-D271 WeakPolarHBondContact O-CB 3.33Å
267V75.7Confident80Confident55 Ų5556.1 Ų56.133%0.33326%0.264SS..SBendtrans-91.973.8171.9-177.90000108.1Q162 L166 R169 G265Q162-V267 HydrophobicContact CB-CB 4.41Å; Q162-V267 HydrophobicContact CB-CG2 3.7Å; Q162-V267 HydrophobicContact CG-CG2 4.3Å; L166-V267 HydrophobicContact CD2-CG1 4Å; R169-V267 PolarHBondContact NH2-O 3.31Å; G265-V267 PolarHBondContact O-N 3.26Å
268S81.1Confident79.2Confident12 Ų1258.8 Ų58.88%0.08428%0.276CS..SBendtrans-152.8153.1179.964.40000111.4P264 G265 G266 D270 D271 Y272P264-S268 WeakPolarHBondContact CG-OG 3.43Å; G265-S268 PolarHBondContact O-OG 3.08Å; G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 2.85Å; S268-D270 PolarHBondContact O-N 3.32Å; S268-D271 PolarHBondContact O-N 3.24Å; S268-D271 WeakPolarHBondContact OG-CB 3.33Å; S268-D271 PolarHBondContact OG-N 3.49Å; S268-D271 VanDerWaalsContact OG-N 3.12Å; S268-Y272 PolarHBondContact O-N 3.39Å
269V76.3Confident78.4Confident52 Ų5261.8 Ų61.832%0.31529%0.29SS..Hα-helixtrans-60.9-361731770000110.5I204 G205 Y206 D271 Y272 K273I204-V269 HydrophobicContact CG2-CG2 3.55Å; I204-V269 PolarHBondContact O-N 3.11Å; G205-V269 PolarHBondContact O-N 2.94Å; G205-V269 VanDerWaalsContact O-N 3.14Å; Y206-V269 HydrophobicContact CD2-CG1 3.99Å; V269-D271 VanDerWaalsContact C-N 3.3Å; V269-D271 PolarHBondContact O-N 3.12Å; V269-Y272 PolarHBondContact O-N 3.43Å; V269-K273 WeakPolarHBondContact O-CG 3.31Å; V269-K273 PolarHBondContact O-N 3.22Å
270D79.6Confident77.5Confident30 Ų3065.4 Ų65.416%0.1631%0.306CS..Hα-helixtrans-59.7-37.4175.4-66.5-19.9000112.6G205 Y206 K207 T208 P264 S268 K274G205-D270 PolarHBondContact O-N 3.32Å; Y206-D270 WeakPolarHBondContact CA-OD1 3.46Å; K207-D270 PolarHBondContact N-OD1 3.06Å; K207-D270 PolarHBondContact N-OD2 3Å; T208-D270 WeakPolarHBondContact CB-OD2 3.31Å; T208-D270 PolarHBondContact N-OD2 3.49Å; T208-D270 PolarHBondContact OG1-OD2 3.24Å; P264-D270 HydrophobicContact CG-CB 4.28Å; S268-D270 PolarHBondContact O-N 3.32Å; D270-K274 WeakPolarHBondContact O-CG 3.42Å
271D75.7Confident76.5Confident32 Ų3269 Ų6917%0.17132%0.323CS..Hα-helixtrans-77-39.7176-165.870.9000112.1G266 S268 V269 K273 K274 K275G266-D271 WeakPolarHBondContact O-CB 3.33Å; S268-D271 PolarHBondContact O-N 3.24Å; S268-D271 WeakPolarHBondContact OG-CB 3.33Å; S268-D271 PolarHBondContact OG-N 3.49Å; S268-D271 VanDerWaalsContact OG-N 3.12Å; V269-D271 VanDerWaalsContact C-N 3.3Å; V269-D271 PolarHBondContact O-N 3.12Å; D271-K273 VanDerWaalsContact C-N 3.3Å; D271-K273 PolarHBondContact O-N 2.98Å; D271-K274 WeakPolarHBondContact O-CB 3.16Å; D271-K274 PolarHBondContact O-N 3.42Å; D271-K275 VanDerWaalsContact OD2-CE 3.23Å; D271-K275 WeakPolarHBondContact OD2-CE 3.48Å; D271-K275 IonicContact OD2-NZ 2.8Å; D271-K275 PolarHBondContact OD2-NZ 3.48Å
272Y74Confident75.6Confident147 Ų14772.9 Ų72.958%0.57634%0.339SS*.Hα-helixtrans-58.2-43.5175.9-175.6-98000111.4S268 V269 K274 K275 W276S268-Y272 PolarHBondContact O-N 3.39Å; V269-Y272 PolarHBondContact O-N 3.43Å; Y272-K274 PolarHBondContact O-N 2.87Å; Y272-K275 PolarHBondContact O-N 3.27Å; Y272-K275 VanDerWaalsContact O-N 3.15Å; Y272-W276 AromaticContact CE1-CD1 3.73Å; Y272-W276 AromaticContact CE1-NE1 3.72Å; Y272-W276 AromaticContact CE2-NE1 3.46Å; Y272-W276 AromaticContact CZ-CD1 3.73Å; Y272-W276 AromaticContact CZ-NE1 3.21Å; Y272-W276 PolarHBondContact OH-NE1 2.91Å
273K70.3Confident74.9Confident117 Ų11774.2 Ų74.251%0.50935%0.347SS..THydrogen-bonded Turntrans-65.3-18.2176.4-76-170.6178-163.90114.9V269 D271 W276V269-K273 WeakPolarHBondContact O-CG 3.31Å; V269-K273 PolarHBondContact O-N 3.22Å; D271-K273 VanDerWaalsContact C-N 3.3Å; D271-K273 PolarHBondContact O-N 2.98Å; K273-W276 VanDerWaalsContact O-OXT 3.08Å
274K71.1Confident74Confident166 Ų16679.6 Ų79.672%0.72237%0.371SS*.THydrogen-bonded Turntrans-83.5-17.6175.7-70.3173.2-173.7177.60112.8D270 D271 Y272D270-K274 WeakPolarHBondContact O-CG 3.42Å; D271-K274 WeakPolarHBondContact O-CB 3.16Å; D271-K274 PolarHBondContact O-N 3.42Å; Y272-K274 PolarHBondContact O-N 2.87Å
275K65.8Low73.2Confident128 Ų12884.8 Ų84.856%0.55739%0.393SS*.  trans-88-11-179.2-68.4174.9177.3158.30112.8E157 D271 Y272E157-K275 IonicContact OE2-NZ 3.59Å; D271-K275 VanDerWaalsContact OD2-CE 3.23Å; D271-K275 WeakPolarHBondContact OD2-CE 3.48Å; D271-K275 IonicContact OD2-NZ 2.8Å; D271-K275 PolarHBondContact OD2-NZ 3.48Å; Y272-K275 PolarHBondContact O-N 3.27Å; Y272-K275 VanDerWaalsContact O-N 3.15Å
276W51.7Low72.5Confident244 Ų24490.5 Ų90.592%0.92441%0.407SS*.  trans-121.10179-66.696000110.1Y272 K273Y272-W276 AromaticContact CE1-CD1 3.73Å; Y272-W276 AromaticContact CE1-NE1 3.72Å; Y272-W276 AromaticContact CE2-NE1 3.46Å; Y272-W276 AromaticContact CZ-CD1 3.73Å; Y272-W276 AromaticContact CZ-NE1 3.21Å; Y272-W276 PolarHBondContact OH-NE1 2.91Å; K273-W276 VanDerWaalsContact O-OXT 3.08Å

Retrieved 276 of 276 residues in 596.7 ms (Link to these results)

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