A0A096MMW9_PAPAN Loading...

Splicing factor 3a subunit 3

AlphaFold DB (Q12874), UniProt , Accession A0A096MMW9, Species PAPAN (Papio anubis, Olive baboon), Gene SF3A3, Length 501 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
1M60Low89.1Confident126 Ų12668.3 Ų68.362%0.62131%0.308SS*.  098.80-164.1-168.9-46.600105.2T3 Q90M1-T3 HydrophobicContact CG-CG2 4.47Å; M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.12Å; M1-T3 HydrophobicContact SD-CG2 4.4Å; M1-Q90 HydrophobicContact CE-CB 3.58Å; M1-Q90 HydrophobicContact CE-CG 4.24Å
2E76.6Confident89.8Confident132 Ų13268.8 Ų68.862%0.61731%0.311SS*.  trans-8287.4-178.3-75.5-175.3142.600108.8Q7 R10E2-Q7 HydrophobicContact CB-CG 4.47Å; E2-R10 IonicContact OE1-NH1 3.02Å; E2-R10 PolarHBondContact OE1-NH1 2.69Å
3T89.5Confident90.3Very high29 Ų2966.7 Ų66.718%0.17830%0.302CS..  trans-72.4157.9171.567.60000109.8M1 L5 E6 Q7 E71M1-T3 HydrophobicContact CG-CG2 4.47Å; M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.12Å; M1-T3 HydrophobicContact SD-CG2 4.4Å; T3-L5 PolarHBondContact O-N 2.98Å; T3-E6 PolarHBondContact O-N 2.74Å; T3-E6 WeakPolarHBondContact OG1-CB 3.28Å; T3-E6 PolarHBondContact OG1-N 2.7Å; T3-E6 VanDerWaalsContact OG1-N 3.13Å; T3-Q7 WeakPolarHBondContact O-CG 3.42Å; T3-Q7 PolarHBondContact O-N 2.59Å; T3-E71 VanDerWaalsContact CB-OE1 3.31Å; T3-E71 WeakPolarHBondContact CB-OE1 3.44Å; T3-E71 WeakPolarHBondContact CG2-OE1 3.37Å
4I92.4Very high90.8Very high18 Ų1862.9 Ų62.99%0.09229%0.285CS..Hα-helixtrans-60.3-33.7176.4-170.2157.7000112.2Q7 Q8 L60 L67 R68 E71I4-Q7 PolarHBondContact O-N 3.12Å; I4-Q8 VanDerWaalsContact O-CG 3.31Å; I4-Q8 WeakPolarHBondContact O-CG 3.42Å; I4-Q8 PolarHBondContact O-N 3.32Å; I4-L60 HydrophobicContact CD1-CD2 3.98Å; I4-L60 HydrophobicContact CG1-CD2 4.07Å; I4-L67 HydrophobicContact CD1-CB 4.12Å; I4-R68 HydrophobicContact CD1-CB 3.84Å; I4-R68 HydrophobicContact CG1-CB 4.41Å; I4-R68 HydrophobicContact CG2-CB 4.39Å; I4-E71 HydrophobicContact CG2-CB 3.58Å; I4-E71 HydrophobicContact CG2-CG 3.74Å
5L92.6Very high91.3Very high46 Ų4661.4 Ų61.424%0.24128%0.278CS..Hα-helixtrans-68-36.8173.9-65.1176.4000112.3T3 Q8 R9 E71 L72 I75T3-L5 PolarHBondContact O-N 2.98Å; L5-Q8 PolarHBondContact O-N 3.35Å; L5-R9 WeakPolarHBondContact O-CB 3.05Å; L5-R9 PolarHBondContact O-N 2.6Å; L5-E71 HydrophobicContact CD1-CG 3.78Å; L5-E71 HydrophobicContact CG-CG 3.79Å; L5-L72 HydrophobicContact CD1-CD2 4.24Å; L5-L72 HydrophobicContact CD2-CD2 4.14Å; L5-I75 HydrophobicContact CD1-CD1 3.52Å
6E92Very high91.6Very high71 Ų7166.1 Ų66.133%0.33230%0.3SS..Hα-helixtrans-68.9-38.6173.7177.654.5-156.500111.4T3 R9 R10T3-E6 PolarHBondContact O-N 2.74Å; T3-E6 WeakPolarHBondContact OG1-CB 3.28Å; T3-E6 PolarHBondContact OG1-N 2.7Å; T3-E6 VanDerWaalsContact OG1-N 3.13Å; E6-R9 PolarHBondContact O-N 3.49Å; E6-R9 IonicContact OE1-CZ 3.64Å; E6-R9 IonicContact OE1-NE 3.33Å; E6-R9 PolarHBondContact OE1-NE 3.39Å; E6-R9 VanDerWaalsContact OE1-NE 3.12Å; E6-R9 IonicContact OE1-NH2 3.51Å; E6-R9 PolarHBondContact OE1-NH2 3.35Å; E6-R9 IonicContact OE2-CZ 2.84Å; E6-R9 IonicContact OE2-NE 2.85Å; E6-R9 PolarHBondContact OE2-NE 3.38Å; E6-R9 IonicContact OE2-NH2 3.31Å; E6-R10 VanDerWaalsContact O-CB 3.25Å; E6-R10 WeakPolarHBondContact O-CB 3.23Å; E6-R10 PolarHBondContact O-N 2.63Å
7Q94.3Very high91.9Very high60 Ų6067.4 Ų67.428%0.2830%0.302SS..Hα-helixtrans-61.8-44.8172.3-67.1174.622.500111.2E2 T3 I4 R9 R10 Y11 L60E2-Q7 HydrophobicContact CB-CG 4.47Å; T3-Q7 WeakPolarHBondContact O-CG 3.42Å; T3-Q7 PolarHBondContact O-N 2.59Å; I4-Q7 PolarHBondContact O-N 3.12Å; Q7-R9 PolarHBondContact O-N 3.45Å; Q7-R10 PolarHBondContact O-N 3.32Å; Q7-Y11 VanDerWaalsContact O-CD2 3.23Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.39Å; Q7-Y11 PolarHBondContact O-N 2.92Å; Q7-L60 HydrophobicContact CB-CD1 3.96Å
8Q95.8Very high92.2Very high7 Ų763.7 Ų63.73%0.03329%0.286CS..Hα-helixtrans-59.3-47.3174.1-73.7-173.1-33.900111.6I4 L5 R10 Y11 H12 L57 L60 R68I4-Q8 VanDerWaalsContact O-CG 3.31Å; I4-Q8 WeakPolarHBondContact O-CG 3.42Å; I4-Q8 PolarHBondContact O-N 3.32Å; L5-Q8 PolarHBondContact O-N 3.35Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.2Å; Q8-Y11 PolarHBondContact O-N 3.5Å; Q8-H12 PolarHBondContact O-CD2 3.1Å; Q8-H12 PolarHBondContact O-N 3.32Å; Q8-L57 HydrophobicContact CB-CD1 4.21Å; Q8-L57 HydrophobicContact CG-CD1 4.18Å; Q8-L60 HydrophobicContact CG-CB 4.06Å; Q8-L60 HydrophobicContact CG-CD1 3.89Å; Q8-L60 PolarHBondContact NE2-O 3.27Å; Q8-R68 VanDerWaalsContact NE2-CD 3.32Å; Q8-R68 VanDerWaalsContact OE1-NE 3.16Å
9R95.2Very high92.4Very high114 Ų11464.8 Ų64.843%0.4329%0.293SS..Hα-helixtrans-58.7-45.9176.7-171.5-153.267.470.10.2111.4L5 E6 Q7 H12 E13L5-R9 WeakPolarHBondContact O-CB 3.05Å; L5-R9 PolarHBondContact O-N 2.6Å; E6-R9 PolarHBondContact O-N 3.49Å; E6-R9 IonicContact OE1-CZ 3.64Å; E6-R9 IonicContact OE1-NE 3.33Å; E6-R9 PolarHBondContact OE1-NE 3.39Å; E6-R9 VanDerWaalsContact OE1-NE 3.12Å; E6-R9 IonicContact OE1-NH2 3.51Å; E6-R9 PolarHBondContact OE1-NH2 3.35Å; E6-R9 IonicContact OE2-CZ 2.84Å; E6-R9 IonicContact OE2-NE 2.85Å; E6-R9 PolarHBondContact OE2-NE 3.38Å; E6-R9 IonicContact OE2-NH2 3.31Å; Q7-R9 PolarHBondContact O-N 3.45Å; R9-H12 PolarHBondContact O-N 3.32Å; R9-E13 IonicContact CZ-OE2 3.27Å; R9-E13 IonicContact NH1-OE2 2.67Å; R9-E13 PolarHBondContact NH1-OE2 2.87Å; R9-E13 IonicContact NH2-OE2 3.7Å; R9-E13 PolarHBondContact O-N 2.9Å
10R94.9Very high92.6Very high99 Ų9965 Ų6537%0.37430%0.296SS..Hα-helixtrans-60.6-47.3178.7-178.3-173.7147.9-172.7-7.2111.3E2 E6 Q7 Q8 H12 E13 E14 M106E2-R10 IonicContact OE1-NH1 3.02Å; E2-R10 PolarHBondContact OE1-NH1 2.69Å; E6-R10 VanDerWaalsContact O-CB 3.25Å; E6-R10 WeakPolarHBondContact O-CB 3.23Å; E6-R10 PolarHBondContact O-N 2.63Å; Q7-R10 PolarHBondContact O-N 3.32Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.2Å; R10-H12 PolarHBondContact O-N 3.5Å; R10-E13 PolarHBondContact O-N 3.49Å; R10-E14 WeakPolarHBondContact O-CB 3.41Å; R10-E14 PolarHBondContact O-N 3.3Å; R10-M106 HydrophobicContact CB-CE 4.43Å; R10-M106 HydrophobicContact CG-CE 3.41Å; R10-M106 VanDerWaalsContact CG-CE 3.41Å
11Y96.9Very high92.7Very high49 Ų4962 Ų6219%0.19228%0.283CS..Hα-helixtrans-66.6-35.5177.5-71.6-43.6000113.1Q7 Q8 E14 K15 V53 N56 L60Q7-Y11 VanDerWaalsContact O-CD2 3.23Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.39Å; Q7-Y11 PolarHBondContact O-N 2.92Å; Q8-Y11 PolarHBondContact O-N 3.5Å; Y11-E14 PolarHBondContact O-N 3.18Å; Y11-K15 WeakPolarHBondContact O-CG 3.46Å; Y11-K15 PolarHBondContact O-N 3.44Å; Y11-V53 HydrophobicContact CD1-CG1 3.72Å; Y11-V53 HydrophobicContact CG-CG1 4.09Å; Y11-V53 WeakPolarHBondContact O-CG1 3.42Å; Y11-N56 HydrophobicContact CE1-CB 4.39Å; Y11-N56 HydrophobicContact CE2-CB 4Å; Y11-L60 HydrophobicContact CD2-CD1 3.74Å; Y11-L60 HydrophobicContact CE2-CD1 3.7Å
12H97.6Very high94.4Very high75 Ų7557.4 Ų57.435%0.34726%0.26SS..Hα-helixtrans-62.6-46.2171.3-81.3-68.2000111.9Q8 R9 R10 E14 K15 E16 Y61Q8-H12 PolarHBondContact O-CD2 3.1Å; Q8-H12 PolarHBondContact O-N 3.32Å; R9-H12 PolarHBondContact O-N 3.32Å; R10-H12 PolarHBondContact O-N 3.5Å; H12-E14 PolarHBondContact O-N 3.41Å; H12-K15 PolarHBondContact O-N 3.15Å; H12-E16 PolarHBondContact O-N 3.16Å; H12-E16 VanDerWaalsContact O-N 3.09Å; H12-Y61 AromaticContact NE2-CE2 3.57Å; H12-Y61 AromaticContact NE2-CZ 3.7Å; H12-Y61 PolarHBondContact NE2-OH 3.47Å
13E96.7Very high95.3Very high41 Ų4153.3 Ų53.319%0.19225%0.249CC..Hα-helixtrans-58.6-48175.3178.1175.8-165.500111R9 R10 K15 E16 R17 M106R9-E13 IonicContact CZ-OE2 3.27Å; R9-E13 IonicContact NH1-OE2 2.67Å; R9-E13 PolarHBondContact NH1-OE2 2.87Å; R9-E13 IonicContact NH2-OE2 3.7Å; R9-E13 PolarHBondContact O-N 2.9Å; R10-E13 PolarHBondContact O-N 3.49Å; E13-K15 VanDerWaalsContact C-N 3.3Å; E13-K15 PolarHBondContact O-N 3Å; E13-E16 PolarHBondContact O-N 2.92Å; E13-E16 VanDerWaalsContact O-N 3.11Å; E13-R17 HydrophobicContact CG-CG 4.22Å; E13-R17 VanDerWaalsContact O-CG 3.25Å; E13-R17 WeakPolarHBondContact O-CG 3.32Å; E13-R17 PolarHBondContact O-N 3.02Å; E13-R17 IonicContact OE1-NE 3.69Å; E13-R17 IonicContact OE1-NH2 3.28Å; E13-M106 HydrophobicContact CB-CE 4.4Å; E13-M106 HydrophobicContact CG-CE 4.32Å; E13-M106 HydrophobicContact CG-SD 4.23Å
14E97.2Very high95.6Very high14 Ų1455.9 Ų55.97%0.06526%0.258CS..Hα-helixtrans-58.9-41.7-180-170.4168.5-178.100112R10 Y11 H12 R17 L18 R49 V53 M106 F110R10-E14 WeakPolarHBondContact O-CB 3.41Å; R10-E14 PolarHBondContact O-N 3.3Å; Y11-E14 PolarHBondContact O-N 3.18Å; H12-E14 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 3.43Å; E14-L18 HydrophobicContact CG-CD1 4.07Å; E14-L18 WeakPolarHBondContact O-CB 3.02Å; E14-L18 WeakPolarHBondContact O-CD1 3.46Å; E14-L18 VanDerWaalsContact O-CG 3.26Å; E14-L18 WeakPolarHBondContact O-CG 3.33Å; E14-L18 PolarHBondContact O-N 3.48Å; E14-R49 IonicContact OE1-CZ 2.63Å; E14-R49 IonicContact OE1-NE 3.81Å; E14-R49 PolarHBondContact OE1-NE 2.95Å; E14-R49 IonicContact OE1-NH2 3.23Å; E14-R49 PolarHBondContact OE1-NH2 3.48Å; E14-V53 HydrophobicContact CB-CG1 4.33Å; E14-V53 HydrophobicContact CG-CG2 4.01Å; E14-M106 VanDerWaalsContact CA-SD 3.56Å; E14-M106 HydrophobicContact CB-CE 4.19Å; E14-M106 HydrophobicContact CB-SD 3.6Å; E14-M106 HydrophobicContact CG-SD 4.01Å; E14-F110 HydrophobicContact CG-CZ 4.26Å
15K97.4Very high95.6Very high40 Ų4055.1 Ų55.117%0.17425%0.254CS..Hα-helixtrans-60.2-46.2173.4-76.1-179.560.3154.60112.7Y11 H12 E13 R17 L18 M19 Y50 V53 S54 L57Y11-K15 WeakPolarHBondContact O-CG 3.46Å; Y11-K15 PolarHBondContact O-N 3.44Å; H12-K15 PolarHBondContact O-N 3.15Å; E13-K15 VanDerWaalsContact C-N 3.3Å; E13-K15 PolarHBondContact O-N 3Å; K15-R17 VanDerWaalsContact C-N 3.33Å; K15-L18 PolarHBondContact O-N 2.98Å; K15-M19 WeakPolarHBondContact O-CG 3.42Å; K15-M19 PolarHBondContact O-N 3.11Å; K15-Y50 HydrophobicContact CB-CD2 4.21Å; K15-Y50 HydrophobicContact CB-CE2 3.81Å; K15-Y50 HydrophobicContact CD-CE2 4.47Å; K15-Y50 VanDerWaalsContact CE-CZ 3.5Å; K15-Y50 VanDerWaalsContact CE-OH 3.31Å; K15-Y50 WeakPolarHBondContact CE-OH 3.35Å; K15-Y50 HydrophobicContact CG-CD2 4.17Å; K15-Y50 HydrophobicContact CG-CE2 3.97Å; K15-V53 HydrophobicContact CD-CG1 4.21Å; K15-V53 HydrophobicContact CG-CB 4.3Å; K15-V53 HydrophobicContact CG-CG1 3.61Å; K15-S54 WeakPolarHBondContact CD-OG 3.34Å; K15-S54 VanDerWaalsContact CE-OG 3.24Å; K15-S54 WeakPolarHBondContact CE-OG 3.28Å; K15-S54 PolarHBondContact NZ-OG 2.99Å; K15-L57 HydrophobicContact CD-CD2 3.88Å
16E97Very high95.6Very high136 Ų13659.1 Ų59.164%0.63627%0.273SS*.Hα-helixtrans-63.4-40.8178.6-71.8-165.4127.900111.7H12 E13 M19 D20H12-E16 PolarHBondContact O-N 3.16Å; H12-E16 VanDerWaalsContact O-N 3.09Å; E13-E16 PolarHBondContact O-N 2.92Å; E13-E16 VanDerWaalsContact O-N 3.11Å; E16-M19 HydrophobicContact CB-CE 4.46Å; E16-M19 HydrophobicContact CG-CE 4.12Å; E16-M19 PolarHBondContact O-N 3.31Å; E16-D20 PolarHBondContact O-N 2.92Å
17R96.4Very high95.7Very high89 Ų8962.9 Ų62.934%0.33629%0.294SS..Hα-helixtrans-66-42.6176.9-64.2-66.6-177.6-179.61.3112.4E13 E14 K15 M19 D20 V21 F110E13-R17 HydrophobicContact CG-CG 4.22Å; E13-R17 VanDerWaalsContact O-CG 3.25Å; E13-R17 WeakPolarHBondContact O-CG 3.32Å; E13-R17 PolarHBondContact O-N 3.02Å; E13-R17 IonicContact OE1-NE 3.69Å; E13-R17 IonicContact OE1-NH2 3.28Å; E14-R17 PolarHBondContact O-N 3.43Å; K15-R17 VanDerWaalsContact C-N 3.33Å; R17-M19 VanDerWaalsContact C-N 3.33Å; R17-M19 PolarHBondContact O-N 3.1Å; R17-D20 PolarHBondContact O-N 3.25Å; R17-V21 WeakPolarHBondContact O-CG2 3.47Å; R17-V21 PolarHBondContact O-N 2.78Å; R17-F110 HydrophobicContact CB-CD1 3.9Å; R17-F110 HydrophobicContact CB-CD2 3.49Å; R17-F110 VanDerWaalsContact CB-CD2 3.49Å; R17-F110 HydrophobicContact CB-CE1 3.69Å; R17-F110 HydrophobicContact CB-CE2 3.28Å; R17-F110 HydrophobicContact CB-CG 3.8Å; R17-F110 HydrophobicContact CB-CZ 3.39Å; R17-F110 HydrophobicContact CG-CD2 3.88Å; R17-F110 HydrophobicContact CG-CE2 3.82Å; R17-F110 HydrophobicContact CG-CG 4.5Å; R17-F110 HydrophobicContact CG-CZ 4.38Å
18L97Very high95.6Very high1 Ų162.4 Ų62.41%0.00530%0.295CS..Hα-helixtrans-60.1-44.3174.6-74.4162.5000111E14 K15 D20 V21 M22 M46 R49 Y50 V53 F110E14-L18 HydrophobicContact CG-CD1 4.07Å; E14-L18 WeakPolarHBondContact O-CB 3.02Å; E14-L18 WeakPolarHBondContact O-CD1 3.46Å; E14-L18 VanDerWaalsContact O-CG 3.26Å; E14-L18 WeakPolarHBondContact O-CG 3.33Å; E14-L18 PolarHBondContact O-N 3.48Å; K15-L18 PolarHBondContact O-N 2.98Å; L18-D20 PolarHBondContact O-N 3.17Å; L18-V21 PolarHBondContact O-N 2.95Å; L18-M22 HydrophobicContact CB-CE 4.34Å; L18-M22 WeakPolarHBondContact O-CB 3.26Å; L18-M22 WeakPolarHBondContact O-CE 3.5Å; L18-M22 VanDerWaalsContact O-CG 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.5Å; L18-M22 PolarHBondContact O-N 2.81Å; L18-M46 HydrophobicContact CD2-CB 4.1Å; L18-M46 HydrophobicContact CD2-CG 4.37Å; L18-R49 HydrophobicContact CD1-CB 4.28Å; L18-R49 HydrophobicContact CD1-CG 3.9Å; L18-R49 HydrophobicContact CD2-CB 4.28Å; L18-R49 HydrophobicContact CD2-CG 4.25Å; L18-Y50 HydrophobicContact CB-CD2 4.15Å; L18-V53 HydrophobicContact CD1-CG2 4.48Å; L18-F110 HydrophobicContact CB-CE1 4.46Å; L18-F110 HydrophobicContact CD2-CE1 3.71Å; L18-F110 HydrophobicContact CD2-CZ 4.23Å; L18-F110 HydrophobicContact CG-CE1 3.76Å; L18-F110 HydrophobicContact CG-CZ 3.95Å
19M96.3Very high95.4Very high85 Ų8568.8 Ų68.842%0.41932%0.323SS..Hα-helixtrans-61.5-42.9175.9-71.4-175.7-59.900112.4K15 E16 R17 M22 A23 Y50K15-M19 WeakPolarHBondContact O-CG 3.42Å; K15-M19 PolarHBondContact O-N 3.11Å; E16-M19 HydrophobicContact CB-CE 4.46Å; E16-M19 HydrophobicContact CG-CE 4.12Å; E16-M19 PolarHBondContact O-N 3.31Å; R17-M19 VanDerWaalsContact C-N 3.33Å; R17-M19 PolarHBondContact O-N 3.1Å; M19-M22 HydrophobicContact CG-CE 4.28Å; M19-A23 VanDerWaalsContact O-CB 3.3Å; M19-A23 WeakPolarHBondContact O-CB 3.38Å; M19-A23 PolarHBondContact O-N 3.36Å; M19-Y50 HydrophobicContact CE-CE2 4.45Å; M19-Y50 HydrophobicContact CG-CD2 4.09Å; M19-Y50 HydrophobicContact CG-CE2 3.56Å; M19-Y50 HydrophobicContact SD-CE2 3.81Å
20D95.7Very high95.2Very high67 Ų6765.2 Ų65.236%0.35831%0.311SS..Hα-helixtrans-63.1-46.6177.5177.457.6000112.1E16 R17 L18 A23 K24E16-D20 PolarHBondContact O-N 2.92Å; R17-D20 PolarHBondContact O-N 3.25Å; L18-D20 PolarHBondContact O-N 3.17Å; D20-A23 PolarHBondContact O-N 3.4Å; D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 3.2Å; D20-K24 VanDerWaalsContact OD1-CE 3.25Å; D20-K24 WeakPolarHBondContact OD1-CE 3.16Å; D20-K24 IonicContact OD1-NZ 2.74Å; D20-K24 PolarHBondContact OD1-NZ 3.36Å; D20-K24 WeakPolarHBondContact OD2-CE 3.19Å; D20-K24 IonicContact OD2-NZ 3.52Å; D20-K24 PolarHBondContact OD2-NZ 3Å
21V94.9Very high94.9Very high3 Ų363.1 Ų63.12%0.01831%0.311CS..Hα-helixtrans-68.6-42.5179.1-179.90000111.5R17 L18 A23 K24 E25 M46 F110 L114R17-V21 WeakPolarHBondContact O-CG2 3.47Å; R17-V21 PolarHBondContact O-N 2.78Å; L18-V21 PolarHBondContact O-N 2.95Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 2.93Å; V21-K24 PolarHBondContact O-N 2.96Å; V21-E25 WeakPolarHBondContact O-CB 3.37Å; V21-E25 PolarHBondContact O-N 3.36Å; V21-M46 HydrophobicContact CB-SD 4.11Å; V21-M46 HydrophobicContact CG1-CE 3.57Å; V21-M46 HydrophobicContact CG1-SD 3.55Å; V21-M46 VanDerWaalsContact CG1-SD 3.55Å; V21-F110 HydrophobicContact CB-CD1 4.32Å; V21-F110 HydrophobicContact CG2-CB 3.86Å; V21-F110 HydrophobicContact CG2-CD1 3.61Å; V21-F110 HydrophobicContact CG2-CG 4.15Å; V21-L114 HydrophobicContact CG1-CD2 4.15Å
22M95.7Very high94.5Very high29 Ų2962 Ų6214%0.14331%0.309CS..Hα-helixtrans-58.3-44.2173.5-74.2-174.9-64.500111.5L18 M19 K24 E25 M26 M46 Q47 Y50L18-M22 HydrophobicContact CB-CE 4.34Å; L18-M22 WeakPolarHBondContact O-CB 3.26Å; L18-M22 WeakPolarHBondContact O-CE 3.5Å; L18-M22 VanDerWaalsContact O-CG 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.5Å; L18-M22 PolarHBondContact O-N 2.81Å; M19-M22 HydrophobicContact CG-CE 4.28Å; M22-K24 PolarHBondContact O-N 3.42Å; M22-E25 PolarHBondContact O-N 3.22Å; M22-M26 WeakPolarHBondContact O-CB 3.24Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.37Å; M22-M26 PolarHBondContact O-N 2.94Å; M22-M46 HydrophobicContact CG-CB 3.45Å; M22-M46 VanDerWaalsContact CG-CB 3.45Å; M22-M46 HydrophobicContact CG-CG 4.25Å; M22-M46 HydrophobicContact CG-SD 3.79Å; M22-M46 HydrophobicContact SD-CB 3.85Å; M22-Q47 HydrophobicContact SD-CB 4.22Å; M22-Y50 HydrophobicContact CE-CD2 4.28Å; M22-Y50 HydrophobicContact CE-CG 4.39Å
23A96Very high94.2Very high46 Ų4661.2 Ų61.238%0.3831%0.308SS..Hα-helixtrans-62-43.3177.300000111.8M19 D20 V21 M26 L27M19-A23 VanDerWaalsContact O-CB 3.3Å; M19-A23 WeakPolarHBondContact O-CB 3.38Å; M19-A23 PolarHBondContact O-N 3.36Å; D20-A23 PolarHBondContact O-N 3.4Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 2.93Å; A23-M26 PolarHBondContact O-N 2.82Å; A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.92Å
24K94.8Very high94Very high83 Ų8361.4 Ų61.436%0.36131%0.307SS..Hα-helixtrans-62.8-42.2175.4-74.1167.7177.9167.30111.9D20 V21 M22 L27 T28 L114D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 3.2Å; D20-K24 VanDerWaalsContact OD1-CE 3.25Å; D20-K24 WeakPolarHBondContact OD1-CE 3.16Å; D20-K24 IonicContact OD1-NZ 2.74Å; D20-K24 PolarHBondContact OD1-NZ 3.36Å; D20-K24 WeakPolarHBondContact OD2-CE 3.19Å; D20-K24 IonicContact OD2-NZ 3.52Å; D20-K24 PolarHBondContact OD2-NZ 3Å; V21-K24 PolarHBondContact O-N 2.96Å; M22-K24 PolarHBondContact O-N 3.42Å; K24-L27 PolarHBondContact O-N 2.97Å; K24-T28 PolarHBondContact O-N 3.42Å; K24-T28 PolarHBondContact O-OG1 3.43Å; K24-L114 HydrophobicContact CB-CD2 4.45Å; K24-L114 HydrophobicContact CD-CD1 4.26Å; K24-L114 HydrophobicContact CD-CD2 4.43Å
25E93.9Very high93.7Very high3 Ų362.7 Ų62.71%0.01431%0.314CS..Hα-helixtrans-61-50.7177.4-170.261.7-160.700110.4V21 M22 L27 T28 K30 S39 R42 T43 R117V21-E25 WeakPolarHBondContact O-CB 3.37Å; V21-E25 PolarHBondContact O-N 3.36Å; M22-E25 PolarHBondContact O-N 3.22Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3.31Å; E25-T28 PolarHBondContact O-N 3.43Å; E25-K30 PolarHBondContact O-NZ 3.29Å; E25-S39 WeakPolarHBondContact CG-OG 3.33Å; E25-S39 WeakPolarHBondContact OE1-CA 2.84Å; E25-S39 WeakPolarHBondContact OE1-CB 3.29Å; E25-S39 PolarHBondContact OE1-OG 3.33Å; E25-R42 IonicContact OE1-CZ 3.45Å; E25-R42 VanDerWaalsContact OE1-CZ 3.24Å; E25-R42 IonicContact OE1-NE 3.62Å; E25-R42 PolarHBondContact OE1-NE 3.33Å; E25-R42 IonicContact OE1-NH2 3.37Å; E25-R42 PolarHBondContact OE1-NH2 2.83Å; E25-R42 IonicContact OE2-NE 3.63Å; E25-T43 WeakPolarHBondContact CG-OG1 3.35Å; E25-R117 WeakPolarHBondContact OE2-CD 3.38Å; E25-R117 IonicContact OE2-NH1 3.06Å
26M92.8Very high93.6Very high130 Ų13064.1 Ų64.164%0.6432%0.321SS*.Hα-helixtrans-61-37.4177.5-69.3-176.48100113.3M22 A23 K30 T43M22-M26 WeakPolarHBondContact O-CB 3.24Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.37Å; M22-M26 PolarHBondContact O-N 2.94Å; A23-M26 PolarHBondContact O-N 2.82Å; M26-K30 PolarHBondContact O-NZ 3.15Å; M26-T43 HydrophobicContact CG-CG2 4.46Å
27L93.8Very high93.5Very high149 Ų14957.8 Ų57.878%0.7829%0.292SS*.Hα-helixtrans-78.1-17.8-180-71.6171.9000114.3A23 K24 E25A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.92Å; K24-L27 PolarHBondContact O-N 2.97Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3.31Å
28T91.8Very high93.4Very high50 Ų5053.9 Ų53.931%0.30728%0.277SS..SBendtrans-67.2137.8177.3-600000108.5K24 E25 K30 R117K24-T28 PolarHBondContact O-N 3.42Å; K24-T28 PolarHBondContact O-OG1 3.43Å; E25-T28 PolarHBondContact O-N 3.43Å; T28-K30 WeakPolarHBondContact O-CD 3.33Å; T28-K30 WeakPolarHBondContact O-CE 3.42Å; T28-K30 PolarHBondContact O-NZ 3.23Å; T28-R117 PolarHBondContact OG1-NH1 3.03Å; T28-R117 VanDerWaalsContact OG1-NH1 3.14Å
29K91.3Very high93.3Very high142 Ų14253.9 Ų53.962%0.61728%0.277SS*.PPolyproline II helixtrans-72.8131.6175-178.3-169.7173.4-151.90108.1D371K29-D371 IonicContact NZ-OD2 2.61Å; K29-D371 PolarHBondContact NZ-OD2 3.34Å
30K92.2Very high93.3Very high38 Ų3851.3 Ų51.317%0.16527%0.265CS..PPolyproline II helixtrans-98123.1174.4-68.166.4166-177.50107.1E25 M26 T28 D35 Q36 S39E25-K30 PolarHBondContact O-NZ 3.29Å; M26-K30 PolarHBondContact O-NZ 3.15Å; T28-K30 WeakPolarHBondContact O-CD 3.33Å; T28-K30 WeakPolarHBondContact O-CE 3.42Å; T28-K30 PolarHBondContact O-NZ 3.23Å; K30-D35 WeakPolarHBondContact CA-OD2 3.43Å; K30-D35 HydrophobicContact CB-CB 4.44Å; K30-Q36 HydrophobicContact CB-CB 4.1Å; K30-Q36 HydrophobicContact CG-CB 4.32Å; K30-S39 VanDerWaalsContact CE-CB 3.46Å; K30-S39 WeakPolarHBondContact CE-OG 3.36Å
31S87.1Confident93.3Very high55 Ų5549.9 Ų49.939%0.38526%0.257SS..  trans-84.5-34.7-174.745.60000112.7D371S31-D371 WeakPolarHBondContact CA-OD2 3.43Å; S31-D371 WeakPolarHBondContact CB-OD2 3.44Å
32T89.6Confident93.2Very high25 Ų2551.9 Ų51.915%0.15326%0.264CS..SBendtrans-127.2162-174.867.50000111.1R34 D35 Q36T32-R34 PolarHBondContact O-N 2.93Å; T32-D35 PolarHBondContact O-N 2.93Å; T32-D35 PolarHBondContact OG1-N 3.17Å; T32-Q36 PolarHBondContact O-N 3.4Å
33L91.8Very high93.2Very high60 Ų6050.9 Ų50.931%0.31426%0.259SS..Hα-helixtrans-56.7-40.7171.6178.561.9000111.6Q36 I37 R138L33-Q36 WeakPolarHBondContact O-CB 3.26Å; L33-Q36 PolarHBondContact O-N 3.43Å; L33-I37 HydrophobicContact CD1-CD1 4.02Å; L33-I37 HydrophobicContact CD1-CG1 4.28Å; L33-I37 HydrophobicContact CG-CD1 3.93Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 3.39Å; L33-R138 HydrophobicContact CD2-CB 3.91Å; L33-R138 HydrophobicContact CD2-CG 4.48Å
34R92.2Very high93.2Very high44 Ų4452.4 Ų52.417%0.16626%0.255CS..Hα-helixtrans-59.7-46.9175.4177.2178.6-67.2160.27.6111.6T32 Q36 I37 N38 Y136 S367 E368T32-R34 PolarHBondContact O-N 2.93Å; R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 2.71Å; R34-I37 PolarHBondContact O-N 2.7Å; R34-N38 VanDerWaalsContact O-CB 3.32Å; R34-N38 WeakPolarHBondContact O-CB 3.22Å; R34-N38 VanDerWaalsContact O-CG 3.24Å; R34-N38 PolarHBondContact O-N 2.94Å; R34-N38 PolarHBondContact O-ND2 2.84Å; R34-Y136 HydrophobicContact CB-CD1 3.74Å; R34-Y136 HydrophobicContact CB-CE1 4.09Å; R34-Y136 HydrophobicContact CB-CG 4.27Å; R34-Y136 HydrophobicContact CG-CD1 3.69Å; R34-Y136 HydrophobicContact CG-CD2 4.5Å; R34-Y136 HydrophobicContact CG-CE1 3.6Å; R34-Y136 HydrophobicContact CG-CE2 4.42Å; R34-Y136 HydrophobicContact CG-CG 4.17Å; R34-S367 PolarHBondContact NH2-OG 3.49Å; R34-E368 IonicContact NH1-OE1 3.95Å
35D91.1Very high93.2Very high41 Ų4151.4 Ų51.422%0.21926%0.262CS..Hα-helixtrans-65-36.7177.5-171.331.3000111.7K30 T32 S39 R42K30-D35 WeakPolarHBondContact CA-OD2 3.43Å; K30-D35 HydrophobicContact CB-CB 4.44Å; T32-D35 PolarHBondContact O-N 2.93Å; T32-D35 PolarHBondContact OG1-N 3.17Å; D35-S39 WeakPolarHBondContact O-CB 3.5Å; D35-S39 PolarHBondContact O-N 2.9Å; D35-R42 IonicContact OD1-NH2 3.12Å
36Q94.4Very high93.3Very high71 Ų7152 Ų5233%0.33227%0.265SS..Hα-helixtrans-60.6-52.7173.3-176.358.250.300112.6K30 T32 L33 R34 N38 S39 D40K30-Q36 HydrophobicContact CB-CB 4.1Å; K30-Q36 HydrophobicContact CG-CB 4.32Å; T32-Q36 PolarHBondContact O-N 3.4Å; L33-Q36 WeakPolarHBondContact O-CB 3.26Å; L33-Q36 PolarHBondContact O-N 3.43Å; R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 2.71Å; Q36-N38 PolarHBondContact O-N 3.34Å; Q36-S39 PolarHBondContact O-N 2.96Å; Q36-D40 PolarHBondContact NE2-OD1 3.12Å; Q36-D40 PolarHBondContact NE2-OD2 2.67Å; Q36-D40 VanDerWaalsContact O-CG 3.31Å; Q36-D40 PolarHBondContact O-N 3.16Å
37I95.3Very high93.5Very high2 Ų249.4 Ų49.41%0.0125%0.252CS..Hα-helixtrans-59.9-48178.3-70.2168.5000110.3L33 R34 S39 D40 H41 F130 Y136 R199 V200L33-I37 HydrophobicContact CD1-CD1 4.02Å; L33-I37 HydrophobicContact CD1-CG1 4.28Å; L33-I37 HydrophobicContact CG-CD1 3.93Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 3.39Å; R34-I37 PolarHBondContact O-N 2.7Å; I37-S39 VanDerWaalsContact C-N 3.31Å; I37-S39 PolarHBondContact O-N 2.79Å; I37-D40 PolarHBondContact O-N 3.38Å; I37-D40 VanDerWaalsContact O-N 3.17Å; I37-H41 PolarHBondContact O-CD2 3.25Å; I37-H41 VanDerWaalsContact O-CD2 3.23Å; I37-H41 PolarHBondContact O-N 2.95Å; I37-F130 HydrophobicContact CD1-CZ 4.23Å; I37-F130 HydrophobicContact CG2-CE2 4.2Å; I37-F130 HydrophobicContact CG2-CZ 4.41Å; I37-Y136 HydrophobicContact CB-CE1 4.22Å; I37-Y136 HydrophobicContact CD1-CD1 4.17Å; I37-Y136 WeakPolarHBondContact CD1-O 3.42Å; I37-Y136 HydrophobicContact CG2-CE1 4.02Å; I37-R199 WeakPolarHBondContact CG2-O 3.47Å; I37-V200 HydrophobicContact CD1-CG1 4.39Å; I37-V200 HydrophobicContact CD1-CG2 4.41Å
38N94.1Very high93.6Very high7 Ų745.6 Ų45.64%0.03723%0.232CC..Hα-helixtrans-61.3-39.8179.1-74.5-18.9000112.4R34 Q36 H41 R42 Q125 L127 Y136R34-N38 VanDerWaalsContact O-CB 3.32Å; R34-N38 WeakPolarHBondContact O-CB 3.22Å; R34-N38 VanDerWaalsContact O-CG 3.24Å; R34-N38 PolarHBondContact O-N 2.94Å; R34-N38 PolarHBondContact O-ND2 2.84Å; Q36-N38 PolarHBondContact O-N 3.34Å; N38-H41 PolarHBondContact O-N 3.15Å; N38-R42 WeakPolarHBondContact O-CG 3.42Å; N38-R42 PolarHBondContact O-N 3.33Å; N38-Q125 PolarHBondContact ND2-O 2.68Å; N38-L127 WeakPolarHBondContact OD1-CB 3.47Å; N38-Y136 PolarHBondContact OD1-OH 3.42Å
39S94.3Very high93.9Very high1 Ų146 Ų461%0.00723%0.228CC..Hα-helixtrans-64.6-40.5176.2-168.70000112.2E25 K30 D35 Q36 I37 R42 T43E25-S39 WeakPolarHBondContact CG-OG 3.33Å; E25-S39 WeakPolarHBondContact OE1-CA 2.84Å; E25-S39 WeakPolarHBondContact OE1-CB 3.29Å; E25-S39 PolarHBondContact OE1-OG 3.33Å; K30-S39 VanDerWaalsContact CE-CB 3.46Å; K30-S39 WeakPolarHBondContact CE-OG 3.36Å; D35-S39 WeakPolarHBondContact O-CB 3.5Å; D35-S39 PolarHBondContact O-N 2.9Å; Q36-S39 PolarHBondContact O-N 2.96Å; I37-S39 VanDerWaalsContact C-N 3.31Å; I37-S39 PolarHBondContact O-N 2.79Å; S39-R42 PolarHBondContact O-N 3.07Å; S39-T43 WeakPolarHBondContact O-CB 3.45Å; S39-T43 PolarHBondContact O-N 3.25Å; S39-T43 PolarHBondContact O-OG1 3.45Å
40D96.3Very high94.2Very high31 Ų3141.8 Ų41.817%0.16621%0.209CC..Hα-helixtrans-66.8-39.3177.4-69.8-20.7000111.4Q36 I37 T43 R44 P202 L203Q36-D40 PolarHBondContact NE2-OD1 3.12Å; Q36-D40 PolarHBondContact NE2-OD2 2.67Å; Q36-D40 VanDerWaalsContact O-CG 3.31Å; Q36-D40 PolarHBondContact O-N 3.16Å; I37-D40 PolarHBondContact O-N 3.38Å; I37-D40 VanDerWaalsContact O-N 3.17Å; D40-T43 PolarHBondContact O-N 3.42Å; D40-R44 WeakPolarHBondContact O-CB 3.2Å; D40-R44 PolarHBondContact O-N 2.85Å; D40-P202 HydrophobicContact CB-CG 3.69Å; D40-L203 HydrophobicContact CB-CD1 4.02Å; D40-L203 HydrophobicContact CB-CG 4.11Å; D40-L203 WeakPolarHBondContact OD1-CD1 3.44Å
41H95.5Very high94.4Very high38 Ų3845.6 Ų45.618%0.17623%0.228CC..Hα-helixtrans-66.3-43.1173.8-84.7-74.7000113I37 N38 T43 R44 A45 L127 V128 R199 P202I37-H41 PolarHBondContact O-CD2 3.25Å; I37-H41 VanDerWaalsContact O-CD2 3.23Å; I37-H41 PolarHBondContact O-N 2.95Å; N38-H41 PolarHBondContact O-N 3.15Å; H41-T43 VanDerWaalsContact C-N 3.3Å; H41-T43 PolarHBondContact O-N 3.27Å; H41-R44 WeakPolarHBondContact O-CB 3.35Å; H41-R44 PolarHBondContact O-N 2.89Å; H41-A45 PolarHBondContact O-N 3.12Å; H41-L127 HydrophobicContact CB-CD2 3.57Å; H41-L127 HydrophobicContact CB-CG 4.46Å; H41-V128 HydrophobicContact CB-CG2 4.49Å; H41-V128 WeakPolarHBondContact CD2-CG2 3.24Å; H41-V128 WeakPolarHBondContact NE2-CG2 3.37Å; H41-R199 PolarHBondContact NE2-O 3.34Å; H41-P202 HydrophobicContact CB-CG 4.49Å; H41-P202 VanDerWaalsContact CE1-CB 3.46Å; H41-P202 WeakPolarHBondContact CE1-CB 3.26Å
42R94.2Very high94.9Very high44 Ų4449 Ų4917%0.16624%0.238CC..Hα-helixtrans-59.4-44.6172.8-74.8-173.2-61.9-97.93111.1E25 D35 N38 S39 R44 A45 M46 L127E25-R42 IonicContact OE1-CZ 3.45Å; E25-R42 VanDerWaalsContact OE1-CZ 3.24Å; E25-R42 IonicContact OE1-NE 3.62Å; E25-R42 PolarHBondContact OE1-NE 3.33Å; E25-R42 IonicContact OE1-NH2 3.37Å; E25-R42 PolarHBondContact OE1-NH2 2.83Å; E25-R42 IonicContact OE2-NE 3.63Å; D35-R42 IonicContact OD1-NH2 3.12Å; N38-R42 WeakPolarHBondContact O-CG 3.42Å; N38-R42 PolarHBondContact O-N 3.33Å; S39-R42 PolarHBondContact O-N 3.07Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 2.98Å; R42-A45 PolarHBondContact O-N 3.37Å; R42-M46 HydrophobicContact CB-CE 4.24Å; R42-M46 VanDerWaalsContact O-CG 3.32Å; R42-M46 WeakPolarHBondContact O-CG 3.16Å; R42-M46 PolarHBondContact O-N 3.37Å; R42-M46 VanDerWaalsContact O-N 3.07Å; R42-L127 HydrophobicContact CG-CD2 4.07Å
43T95.7Very high95.3Very high8 Ų848 Ų485%0.04923%0.232CC..Hα-helixtrans-62.2-42.2177.1-58.10000110.8E25 M26 S39 D40 H41 M46 Q47 L203E25-T43 WeakPolarHBondContact CG-OG1 3.35Å; M26-T43 HydrophobicContact CG-CG2 4.46Å; S39-T43 WeakPolarHBondContact O-CB 3.45Å; S39-T43 PolarHBondContact O-N 3.25Å; S39-T43 PolarHBondContact O-OG1 3.45Å; D40-T43 PolarHBondContact O-N 3.42Å; H41-T43 VanDerWaalsContact C-N 3.3Å; H41-T43 PolarHBondContact O-N 3.27Å; T43-M46 PolarHBondContact O-N 3.31Å; T43-Q47 WeakPolarHBondContact O-CB 3.28Å; T43-Q47 PolarHBondContact O-N 3.46Å; T43-L203 HydrophobicContact CG2-CD1 4.23Å; T43-L203 HydrophobicContact CG2-CD2 3.9Å
44R95.9Very high95.6Very high79 Ų7946.3 Ų46.330%0.29823%0.225SC..Hα-helixtrans-60.6-47.5176.4178.463-156.1-156.89112D40 H41 R42 M46 Q47 D48 P202 L203D40-R44 WeakPolarHBondContact O-CB 3.2Å; D40-R44 PolarHBondContact O-N 2.85Å; H41-R44 WeakPolarHBondContact O-CB 3.35Å; H41-R44 PolarHBondContact O-N 2.89Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 2.98Å; R44-M46 VanDerWaalsContact C-N 3.3Å; R44-M46 PolarHBondContact O-N 3.3Å; R44-Q47 WeakPolarHBondContact O-CB 3.44Å; R44-Q47 PolarHBondContact O-N 2.93Å; R44-Q47 VanDerWaalsContact O-N 3.09Å; R44-D48 IonicContact CZ-OD1 3.33Å; R44-D48 VanDerWaalsContact CZ-OD1 3.28Å; R44-D48 IonicContact CZ-OD2 3.07Å; R44-D48 IonicContact NE-OD1 2.72Å; R44-D48 PolarHBondContact NE-OD1 3.24Å; R44-D48 VanDerWaalsContact NE-OD1 3.17Å; R44-D48 IonicContact NE-OD2 3.87Å; R44-D48 PolarHBondContact NE-OD2 3.02Å; R44-D48 IonicContact NH2-OD1 3.97Å; R44-D48 PolarHBondContact NH2-OD1 2.77Å; R44-D48 IonicContact NH2-OD2 3.35Å; R44-D48 PolarHBondContact O-N 2.92Å; R44-P202 HydrophobicContact CB-CB 4.18Å; R44-P202 WeakPolarHBondContact CD-O 3.41Å; R44-P202 HydrophobicContact CG-CB 4.35Å; R44-L203 HydrophobicContact CB-CD2 3.99Å
45A94.8Very high95.9Very high61 Ų6145.1 Ų45.150%0.50423%0.227SC..Hα-helixtrans-59.8-40.1177.600000112.2H41 R42 D48 R49H41-A45 PolarHBondContact O-N 3.12Å; R42-A45 PolarHBondContact O-N 3.37Å; A45-D48 PolarHBondContact O-N 3.09Å; A45-R49 PolarHBondContact O-N 3.36Å; A45-R49 VanDerWaalsContact O-N 3.07Å
46M95.8Very high96.1Very high16 Ų1645.9 Ų45.98%0.07923%0.231CC..Hα-helixtrans-66.8-38.3174.5-66174.5-154.900112.2L18 V21 M22 R42 T43 R44 Y50L18-M46 HydrophobicContact CD2-CB 4.1Å; L18-M46 HydrophobicContact CD2-CG 4.37Å; V21-M46 HydrophobicContact CB-SD 4.11Å; V21-M46 HydrophobicContact CG1-CE 3.57Å; V21-M46 HydrophobicContact CG1-SD 3.55Å; V21-M46 VanDerWaalsContact CG1-SD 3.55Å; M22-M46 HydrophobicContact CG-CB 3.45Å; M22-M46 VanDerWaalsContact CG-CB 3.45Å; M22-M46 HydrophobicContact CG-CG 4.25Å; M22-M46 HydrophobicContact CG-SD 3.79Å; M22-M46 HydrophobicContact SD-CB 3.85Å; R42-M46 HydrophobicContact CB-CE 4.24Å; R42-M46 VanDerWaalsContact O-CG 3.32Å; R42-M46 WeakPolarHBondContact O-CG 3.16Å; R42-M46 PolarHBondContact O-N 3.37Å; R42-M46 VanDerWaalsContact O-N 3.07Å; T43-M46 PolarHBondContact O-N 3.31Å; R44-M46 VanDerWaalsContact C-N 3.3Å; R44-M46 PolarHBondContact O-N 3.3Å; M46-Y50 WeakPolarHBondContact O-CB 3.43Å; M46-Y50 PolarHBondContact O-N 2.6Å
47Q96.1Very high96.2Very high75 Ų7542.9 Ų42.935%0.3522%0.217SC..Hα-helixtrans-64.4-44.5175.7-176-176.31.300111.4M22 T43 R44 R49 Y50 M51M22-Q47 HydrophobicContact SD-CB 4.22Å; T43-Q47 WeakPolarHBondContact O-CB 3.28Å; T43-Q47 PolarHBondContact O-N 3.46Å; R44-Q47 WeakPolarHBondContact O-CB 3.44Å; R44-Q47 PolarHBondContact O-N 2.93Å; R44-Q47 VanDerWaalsContact O-N 3.09Å; Q47-R49 PolarHBondContact O-N 2.71Å; Q47-Y50 WeakPolarHBondContact O-CB 3.48Å; Q47-Y50 PolarHBondContact O-N 2.96Å; Q47-Y50 VanDerWaalsContact O-N 3.15Å; Q47-M51 WeakPolarHBondContact O-CG 3.34Å; Q47-M51 PolarHBondContact O-N 2.9Å
48D96.6Very high96.3Very high70 Ų7049.9 Ų49.937%0.37424%0.243SC..Hα-helixtrans-61.2-45.6177.3-74.3-35.5000111.3R44 A45 Y50 M51 E52R44-D48 IonicContact CZ-OD1 3.33Å; R44-D48 VanDerWaalsContact CZ-OD1 3.28Å; R44-D48 IonicContact CZ-OD2 3.07Å; R44-D48 IonicContact NE-OD1 2.72Å; R44-D48 PolarHBondContact NE-OD1 3.24Å; R44-D48 VanDerWaalsContact NE-OD1 3.17Å; R44-D48 IonicContact NE-OD2 3.87Å; R44-D48 PolarHBondContact NE-OD2 3.02Å; R44-D48 IonicContact NH2-OD1 3.97Å; R44-D48 PolarHBondContact NH2-OD1 2.77Å; R44-D48 IonicContact NH2-OD2 3.35Å; R44-D48 PolarHBondContact O-N 2.92Å; A45-D48 PolarHBondContact O-N 3.09Å; D48-Y50 VanDerWaalsContact C-N 3.32Å; D48-Y50 PolarHBondContact O-N 3.11Å; D48-M51 PolarHBondContact O-N 3.21Å; D48-E52 PolarHBondContact O-N 2.89Å
49R97.1Very high96.4Very high58 Ų5852.9 Ų52.922%0.21926%0.259CS..Hα-helixtrans-60.8-40.7173.1-173.4176.4167.81786.3111.9E14 L18 A45 Q47 M51 E52 V53 E109E14-R49 IonicContact OE1-CZ 2.63Å; E14-R49 IonicContact OE1-NE 3.81Å; E14-R49 PolarHBondContact OE1-NE 2.95Å; E14-R49 IonicContact OE1-NH2 3.23Å; E14-R49 PolarHBondContact OE1-NH2 3.48Å; L18-R49 HydrophobicContact CD1-CB 4.28Å; L18-R49 HydrophobicContact CD1-CG 3.9Å; L18-R49 HydrophobicContact CD2-CB 4.28Å; L18-R49 HydrophobicContact CD2-CG 4.25Å; A45-R49 PolarHBondContact O-N 3.36Å; A45-R49 VanDerWaalsContact O-N 3.07Å; Q47-R49 PolarHBondContact O-N 2.71Å; R49-M51 VanDerWaalsContact C-N 3.3Å; R49-M51 PolarHBondContact O-N 2.81Å; R49-E52 PolarHBondContact O-N 3.47Å; R49-V53 HydrophobicContact CG-CG2 4.35Å; R49-V53 WeakPolarHBondContact O-CB 3.35Å; R49-V53 VanDerWaalsContact O-CG2 3.23Å; R49-V53 WeakPolarHBondContact O-CG2 3.38Å; R49-V53 PolarHBondContact O-N 3.33Å; R49-E109 IonicContact CZ-OE1 2.88Å; R49-E109 VanDerWaalsContact CZ-OE1 3.25Å; R49-E109 IonicContact CZ-OE2 3.49Å; R49-E109 IonicContact NH1-OE1 3.43Å; R49-E109 PolarHBondContact NH1-OE1 3.29Å; R49-E109 IonicContact NH1-OE2 2.72Å; R49-E109 IonicContact NH2-OE1 2.77Å; R49-E109 PolarHBondContact NH2-OE1 2.93Å; R49-E109 VanDerWaalsContact NH2-OE1 3.07Å; R49-E109 IonicContact NH2-OE2 2.77Å; R49-E109 PolarHBondContact NH2-OE2 3.15Å
50Y97.9Very high96.4Very high54 Ų5454.3 Ų54.321%0.21227%0.267CS..Hα-helixtrans-61.7-40176.7179.2-84.5000111.9K15 L18 M19 M22 M46 Q47 D48 S54K15-Y50 HydrophobicContact CB-CD2 4.21Å; K15-Y50 HydrophobicContact CB-CE2 3.81Å; K15-Y50 HydrophobicContact CD-CE2 4.47Å; K15-Y50 VanDerWaalsContact CE-CZ 3.5Å; K15-Y50 VanDerWaalsContact CE-OH 3.31Å; K15-Y50 WeakPolarHBondContact CE-OH 3.35Å; K15-Y50 HydrophobicContact CG-CD2 4.17Å; K15-Y50 HydrophobicContact CG-CE2 3.97Å; L18-Y50 HydrophobicContact CB-CD2 4.15Å; M19-Y50 HydrophobicContact CE-CE2 4.45Å; M19-Y50 HydrophobicContact CG-CD2 4.09Å; M19-Y50 HydrophobicContact CG-CE2 3.56Å; M19-Y50 HydrophobicContact SD-CE2 3.81Å; M22-Y50 HydrophobicContact CE-CD2 4.28Å; M22-Y50 HydrophobicContact CE-CG 4.39Å; M46-Y50 WeakPolarHBondContact O-CB 3.43Å; M46-Y50 PolarHBondContact O-N 2.6Å; Q47-Y50 WeakPolarHBondContact O-CB 3.48Å; Q47-Y50 PolarHBondContact O-N 2.96Å; Q47-Y50 VanDerWaalsContact O-N 3.15Å; D48-Y50 VanDerWaalsContact C-N 3.32Å; D48-Y50 PolarHBondContact O-N 3.11Å; Y50-S54 WeakPolarHBondContact CE1-OG 3.44Å; Y50-S54 VanDerWaalsContact O-CB 3.23Å; Y50-S54 WeakPolarHBondContact O-CB 3.18Å; Y50-S54 PolarHBondContact O-N 3.33Å; Y50-S54 PolarHBondContact O-OG 3.36Å
51M97Very high96.4Very high117 Ų11757.9 Ų57.958%0.57628%0.279SS*.Hα-helixtrans-68.4-42.6177.4-70.2-58.5-67.800111.7Q47 D48 R49 S54 G55Q47-M51 WeakPolarHBondContact O-CG 3.34Å; Q47-M51 PolarHBondContact O-N 2.9Å; D48-M51 PolarHBondContact O-N 3.21Å; R49-M51 VanDerWaalsContact C-N 3.3Å; R49-M51 PolarHBondContact O-N 2.81Å; M51-S54 PolarHBondContact O-N 2.91Å; M51-G55 PolarHBondContact O-N 3.31Å
52E97.8Very high96.4Very high126 Ų12660.2 Ų60.259%0.58929%0.293SS*.Hα-helixtrans-59.6-52.3174.5-174.2-173168.500111.3D48 R49 S54 G55 N56D48-E52 PolarHBondContact O-N 2.89Å; R49-E52 PolarHBondContact O-N 3.47Å; E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.01Å; E52-G55 WeakPolarHBondContact O-CA 3.5Å; E52-G55 PolarHBondContact O-N 2.85Å; E52-N56 PolarHBondContact O-N 3.31Å; E52-N56 PolarHBondContact O-ND2 3.4Å
53V97.6Very high96.5Very high5 Ų559.7 Ų59.73%0.0329%0.293CS..Hα-helixtrans-59.5-40178.3174.20000111Y11 E14 K15 L18 R49 N56 L57Y11-V53 HydrophobicContact CD1-CG1 3.72Å; Y11-V53 HydrophobicContact CG-CG1 4.09Å; Y11-V53 WeakPolarHBondContact O-CG1 3.42Å; E14-V53 HydrophobicContact CB-CG1 4.33Å; E14-V53 HydrophobicContact CG-CG2 4.01Å; K15-V53 HydrophobicContact CD-CG1 4.21Å; K15-V53 HydrophobicContact CG-CB 4.3Å; K15-V53 HydrophobicContact CG-CG1 3.61Å; L18-V53 HydrophobicContact CD1-CG2 4.48Å; R49-V53 HydrophobicContact CG-CG2 4.35Å; R49-V53 WeakPolarHBondContact O-CB 3.35Å; R49-V53 VanDerWaalsContact O-CG2 3.23Å; R49-V53 WeakPolarHBondContact O-CG2 3.38Å; R49-V53 PolarHBondContact O-N 3.33Å; V53-N56 PolarHBondContact O-N 3.21Å; V53-L57 VanDerWaalsContact O-CB 3.25Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 PolarHBondContact O-N 2.72Å
54S97.9Very high96.4Very high25 Ų2567.3 Ų67.318%0.17533%0.326CS..Hα-helixtrans-64.9-38.4176-66.10000112.6K15 Y50 M51 E52 R58K15-S54 WeakPolarHBondContact CD-OG 3.34Å; K15-S54 VanDerWaalsContact CE-OG 3.24Å; K15-S54 WeakPolarHBondContact CE-OG 3.28Å; K15-S54 PolarHBondContact NZ-OG 2.99Å; Y50-S54 WeakPolarHBondContact CE1-OG 3.44Å; Y50-S54 VanDerWaalsContact O-CB 3.23Å; Y50-S54 WeakPolarHBondContact O-CB 3.18Å; Y50-S54 PolarHBondContact O-N 3.33Å; Y50-S54 PolarHBondContact O-OG 3.36Å; M51-S54 PolarHBondContact O-N 2.91Å; E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.01Å; S54-R58 WeakPolarHBondContact O-CB 3.38Å; S54-R58 PolarHBondContact O-N 3.4Å
55G97.8Very high96.3Very high19 Ų1968.3 Ų68.320%0.19634%0.337CS..Hα-helixtrans-62.6-50.5173.400000111.9M51 E52 L57 R58 D59M51-G55 PolarHBondContact O-N 3.31Å; E52-G55 WeakPolarHBondContact O-CA 3.5Å; E52-G55 PolarHBondContact O-N 2.85Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 2.93Å; G55-R58 WeakPolarHBondContact O-CB 3.21Å; G55-R58 PolarHBondContact O-N 2.81Å; G55-D59 VanDerWaalsContact O-CG 3.31Å; G55-D59 PolarHBondContact O-N 3.4Å
56N96.5Very high96.2Very high56 Ų5666.5 Ų66.530%0.29932%0.324SS..Hα-helixtrans-59.1-44.9177.6-68.3-26.1000111.7Y11 E52 V53 R58 D59 L60Y11-N56 HydrophobicContact CE1-CB 4.39Å; Y11-N56 HydrophobicContact CE2-CB 4Å; E52-N56 PolarHBondContact O-N 3.31Å; E52-N56 PolarHBondContact O-ND2 3.4Å; V53-N56 PolarHBondContact O-N 3.21Å; N56-R58 PolarHBondContact O-N 3.25Å; N56-D59 PolarHBondContact O-N 3.19Å; N56-L60 WeakPolarHBondContact O-CG 3.24Å; N56-L60 PolarHBondContact O-N 3.09Å
57L96.7Very high96.1Very high8 Ų869.8 Ų69.84%0.04234%0.341CS..Hα-helixtrans-62.9-43.1178.1-177.961.6000112.2Q8 K15 V53 G55 D59 L60 Y61Q8-L57 HydrophobicContact CB-CD1 4.21Å; Q8-L57 HydrophobicContact CG-CD1 4.18Å; K15-L57 HydrophobicContact CD-CD2 3.88Å; V53-L57 VanDerWaalsContact O-CB 3.25Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 PolarHBondContact O-N 2.72Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 2.93Å; L57-D59 VanDerWaalsContact C-N 3.33Å; L57-L60 PolarHBondContact O-N 3.34Å; L57-Y61 HydrophobicContact CD1-CD2 3.94Å; L57-Y61 HydrophobicContact CD1-CE2 3.55Å; L57-Y61 HydrophobicContact CD2-CE2 4.45Å; L57-Y61 HydrophobicContact CG-CD2 3.98Å; L57-Y61 HydrophobicContact CG-CE2 3.84Å; L57-Y61 VanDerWaalsContact O-CD2 3.23Å; L57-Y61 WeakPolarHBondContact O-CD2 3.31Å; L57-Y61 PolarHBondContact O-N 2.86Å; L57-Y61 VanDerWaalsContact O-N 3.08Å
58R97.2Very high95.9Very high149 Ų14969.1 Ų69.156%0.56234%0.335SS*.Hα-helixtrans-58.8-47.6174.5179.6-166.165.5-154.9-7110.5S54 G55 N56 L60 Y61 D62S54-R58 WeakPolarHBondContact O-CB 3.38Å; S54-R58 PolarHBondContact O-N 3.4Å; G55-R58 WeakPolarHBondContact O-CB 3.21Å; G55-R58 PolarHBondContact O-N 2.81Å; N56-R58 PolarHBondContact O-N 3.25Å; R58-L60 VanDerWaalsContact C-N 3.28Å; R58-L60 PolarHBondContact O-N 3.22Å; R58-Y61 CarbonylContact O-C 3.39Å; R58-Y61 WeakPolarHBondContact O-CA 3.35Å; R58-Y61 PolarHBondContact O-N 3.44Å; R58-D62 PolarHBondContact O-N 3.27Å
59D95.9Very high95.8Very high70 Ų7072.1 Ų72.137%0.37435%0.345SS..Hα-helixtrans-63.5-34.7-178.1-68.3-0.2000111.8G55 N56 L57 D63G55-D59 VanDerWaalsContact O-CG 3.31Å; G55-D59 PolarHBondContact O-N 3.4Å; N56-D59 PolarHBondContact O-N 3.19Å; L57-D59 VanDerWaalsContact C-N 3.33Å; D59-D63 PolarHBondContact O-N 2.85Å
60L95.1Very high95.5Very high31 Ų3175.4 Ų75.416%0.16236%0.363CS..Hα-helixtrans-67.4-32.6170.8-69.3-175000113.5I4 Q7 Q8 Y11 N56 L57 R58 R68I4-L60 HydrophobicContact CD1-CD2 3.98Å; I4-L60 HydrophobicContact CG1-CD2 4.07Å; Q7-L60 HydrophobicContact CB-CD1 3.96Å; Q8-L60 HydrophobicContact CG-CB 4.06Å; Q8-L60 HydrophobicContact CG-CD1 3.89Å; Q8-L60 PolarHBondContact NE2-O 3.27Å; Y11-L60 HydrophobicContact CD2-CD1 3.74Å; Y11-L60 HydrophobicContact CE2-CD1 3.7Å; N56-L60 WeakPolarHBondContact O-CG 3.24Å; N56-L60 PolarHBondContact O-N 3.09Å; L57-L60 PolarHBondContact O-N 3.34Å; R58-L60 VanDerWaalsContact C-N 3.28Å; R58-L60 PolarHBondContact O-N 3.22Å; L60-R68 WeakPolarHBondContact O-CD 3.28Å
61Y95.8Very high95.2Very high106 Ų10674 Ų7442%0.41636%0.358SS..Hα-helixtrans-77.8-31.9175.7-85.6-69.2000113.2H12 L57 R58 D63H12-Y61 AromaticContact NE2-CE2 3.57Å; H12-Y61 AromaticContact NE2-CZ 3.7Å; H12-Y61 PolarHBondContact NE2-OH 3.47Å; L57-Y61 HydrophobicContact CD1-CD2 3.94Å; L57-Y61 HydrophobicContact CD1-CE2 3.55Å; L57-Y61 HydrophobicContact CD2-CE2 4.45Å; L57-Y61 HydrophobicContact CG-CD2 3.98Å; L57-Y61 HydrophobicContact CG-CE2 3.84Å; L57-Y61 VanDerWaalsContact O-CD2 3.23Å; L57-Y61 WeakPolarHBondContact O-CD2 3.31Å; L57-Y61 PolarHBondContact O-N 2.86Å; L57-Y61 VanDerWaalsContact O-N 3.08Å; R58-Y61 CarbonylContact O-C 3.39Å; R58-Y61 WeakPolarHBondContact O-CA 3.35Å; R58-Y61 PolarHBondContact O-N 3.44Å; Y61-D63 PolarHBondContact O-N 3.19Å
62D95.7Very high95Very high88 Ų8871 Ų7147%0.47134%0.344SS..Hα-helixtrans-61.3-23.9173.4-79.6-2.9000111.8R58 K64R58-D62 PolarHBondContact O-N 3.27Å; D62-K64 VanDerWaalsContact C-N 3.3Å; D62-K64 HydrophobicContact CB-CG 4.26Å; D62-K64 PolarHBondContact O-N 3.38Å; D62-K64 IonicContact OD2-NZ 2.89Å
63D94.8Very high94.7Very high33 Ų3369.7 Ų69.718%0.17634%0.341CS..THydrogen-bonded Turntrans5244.1169.9-168.932.1000113.1D59 Y61 D65 G66 L67 R68 K69D59-D63 PolarHBondContact O-N 2.85Å; Y61-D63 PolarHBondContact O-N 3.19Å; D63-D65 PolarHBondContact O-N 3.3Å; D63-G66 PolarHBondContact O-N 3.46Å; D63-G66 VanDerWaalsContact O-N 3.09Å; D63-G66 WeakPolarHBondContact OD1-CA 3.32Å; D63-G66 PolarHBondContact OD1-N 3.31Å; D63-L67 PolarHBondContact OD1-N 2.76Å; D63-L67 VanDerWaalsContact OD1-N 3.17Å; D63-R68 HydrophobicContact CB-CB 4.07Å; D63-R68 VanDerWaalsContact CG-CB 3.45Å; D63-R68 WeakPolarHBondContact OD1-CA 3.19Å; D63-R68 WeakPolarHBondContact OD1-CB 3.33Å; D63-R68 PolarHBondContact OD1-N 3.13Å; D63-K69 VanDerWaalsContact OD2-CB 3.27Å; D63-K69 WeakPolarHBondContact OD2-CB 3.45Å; D63-K69 PolarHBondContact OD2-N 2.89Å
64K94.1Very high94.3Very high168 Ų16871.1 Ų71.173%0.7335%0.354SS*.THydrogen-bonded Turntrans-63-27.2-174.9-66.8176.2-175.11600113.2D62D62-K64 VanDerWaalsContact C-N 3.3Å; D62-K64 HydrophobicContact CB-CG 4.26Å; D62-K64 PolarHBondContact O-N 3.38Å; D62-K64 IonicContact OD2-NZ 2.89Å
65D93.3Very high93.8Very high100 Ų10072.9 Ų72.954%0.53536%0.36SS..THydrogen-bonded Turntrans-93-9.3177.757.516.1000113.4D63 L67D63-D65 PolarHBondContact O-N 3.3Å; D65-L67 HydrophobicContact CB-CG 4.17Å; D65-L67 VanDerWaalsContact CG-CG 3.49Å; D65-L67 PolarHBondContact O-N 3.1Å; D65-L67 WeakPolarHBondContact OD1-CB 3.19Å; D65-L67 PolarHBondContact OD1-N 2.96Å; D65-L67 VanDerWaalsContact OD2-CD1 3.27Å; D65-L67 WeakPolarHBondContact OD2-CD1 3.44Å
66G93.5Very high93.5Very high22 Ų2276.3 Ų76.323%0.22738%0.382CS..SBendtrans74.72-17800000114.6D63 R68 K69 E70D63-G66 PolarHBondContact O-N 3.46Å; D63-G66 VanDerWaalsContact O-N 3.09Å; D63-G66 WeakPolarHBondContact OD1-CA 3.32Å; D63-G66 PolarHBondContact OD1-N 3.31Å; G66-R68 PolarHBondContact O-N 3.46Å; G66-K69 PolarHBondContact O-N 2.81Å; G66-E70 WeakPolarHBondContact O-CG 3.31Å; G66-E70 PolarHBondContact O-N 2.88Å
67L93Very high92.9Very high86 Ų8674.4 Ų74.445%0.4538%0.375SS..Hα-helixtrans-63.8-32.3-176.8-68.8-178.6000111.8I4 D63 D65 E70 E71I4-L67 HydrophobicContact CD1-CB 4.12Å; D63-L67 PolarHBondContact OD1-N 2.76Å; D63-L67 VanDerWaalsContact OD1-N 3.17Å; D65-L67 HydrophobicContact CB-CG 4.17Å; D65-L67 VanDerWaalsContact CG-CG 3.49Å; D65-L67 PolarHBondContact O-N 3.1Å; D65-L67 WeakPolarHBondContact OD1-CB 3.19Å; D65-L67 PolarHBondContact OD1-N 2.96Å; D65-L67 VanDerWaalsContact OD2-CD1 3.27Å; D65-L67 WeakPolarHBondContact OD2-CD1 3.44Å; L67-E70 PolarHBondContact O-N 3.48Å; L67-E71 WeakPolarHBondContact O-CB 3.46Å; L67-E71 PolarHBondContact O-N 3.15Å
68R93.1Very high92.4Very high60 Ų6080.6 Ų80.623%0.22642%0.416CS..Hα-helixtrans-69-44.4177.3-171.8-177.1171.7-85.1-7.1110.5I4 Q8 L60 D63 G66 E70 E71 L72I4-R68 HydrophobicContact CD1-CB 3.84Å; I4-R68 HydrophobicContact CG1-CB 4.41Å; I4-R68 HydrophobicContact CG2-CB 4.39Å; Q8-R68 VanDerWaalsContact NE2-CD 3.32Å; Q8-R68 VanDerWaalsContact OE1-NE 3.16Å; L60-R68 WeakPolarHBondContact O-CD 3.28Å; D63-R68 HydrophobicContact CB-CB 4.07Å; D63-R68 VanDerWaalsContact CG-CB 3.45Å; D63-R68 WeakPolarHBondContact OD1-CA 3.19Å; D63-R68 WeakPolarHBondContact OD1-CB 3.33Å; D63-R68 PolarHBondContact OD1-N 3.13Å; G66-R68 PolarHBondContact O-N 3.46Å; R68-E70 VanDerWaalsContact C-N 3.34Å; R68-E71 PolarHBondContact O-N 3.36Å; R68-L72 HydrophobicContact CG-CD1 4.37Å; R68-L72 WeakPolarHBondContact O-CB 3.47Å; R68-L72 VanDerWaalsContact O-CG 3.31Å; R68-L72 WeakPolarHBondContact O-CG 3.38Å; R68-L72 PolarHBondContact O-N 2.73Å
69K93.5Very high91.9Very high134 Ų13479.5 Ų79.558%0.58342%0.421SS*.Hα-helixtrans-62.4-41.3174.4-177.2177.2-179.5-178.60111.8D63 G66 L72 N73D63-K69 VanDerWaalsContact OD2-CB 3.27Å; D63-K69 WeakPolarHBondContact OD2-CB 3.45Å; D63-K69 PolarHBondContact OD2-N 2.89Å; G66-K69 PolarHBondContact O-N 2.81Å; K69-L72 PolarHBondContact O-N 2.9Å; K69-N73 WeakPolarHBondContact O-CB 3.49Å; K69-N73 PolarHBondContact O-N 2.7Å; K69-N73 PolarHBondContact O-ND2 3.07Å; K69-N73 VanDerWaalsContact O-ND2 3.13Å
70E92Very high91.6Very high126 Ų12680.3 Ų80.359%0.58942%0.423SS*.Hα-helixtrans-60.5-47.6174.8-74.3-176.2175.300111.9G66 L67 R68 L72 N73 A74G66-E70 WeakPolarHBondContact O-CG 3.31Å; G66-E70 PolarHBondContact O-N 2.88Å; L67-E70 PolarHBondContact O-N 3.48Å; R68-E70 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.2Å; E70-N73 PolarHBondContact O-N 3.09Å; E70-A74 WeakPolarHBondContact O-CB 3.31Å; E70-A74 PolarHBondContact O-N 3.3Å
71E91.4Very high91.4Very high25 Ų2585.4 Ų85.412%0.11744%0.444CS..Hα-helixtrans-60.5-45.3177.5177.868.7177.100111.9T3 I4 L5 L67 R68 N73 A74 I75 R87T3-E71 VanDerWaalsContact CB-OE1 3.31Å; T3-E71 WeakPolarHBondContact CB-OE1 3.44Å; T3-E71 WeakPolarHBondContact CG2-OE1 3.37Å; I4-E71 HydrophobicContact CG2-CB 3.58Å; I4-E71 HydrophobicContact CG2-CG 3.74Å; L5-E71 HydrophobicContact CD1-CG 3.78Å; L5-E71 HydrophobicContact CG-CG 3.79Å; L67-E71 WeakPolarHBondContact O-CB 3.46Å; L67-E71 PolarHBondContact O-N 3.15Å; R68-E71 PolarHBondContact O-N 3.36Å; E71-N73 PolarHBondContact O-N 3Å; E71-A74 WeakPolarHBondContact O-CB 3.18Å; E71-A74 PolarHBondContact O-N 3.46Å; E71-I75 WeakPolarHBondContact O-CG1 3.34Å; E71-I75 PolarHBondContact O-N 2.98Å; E71-I75 VanDerWaalsContact O-N 3.17Å; E71-R87 VanDerWaalsContact CD-NH2 3.3Å; E71-R87 IonicContact OE1-CZ 3.7Å; E71-R87 IonicContact OE1-NH1 3.99Å; E71-R87 PolarHBondContact OE1-NH1 2.92Å; E71-R87 IonicContact OE1-NH2 2.68Å; E71-R87 PolarHBondContact OE1-NH2 2.88Å; E71-R87 IonicContact OE2-CZ 2.67Å; E71-R87 IonicContact OE2-NH1 3.17Å; E71-R87 IonicContact OE2-NH2 2.92Å; E71-R87 PolarHBondContact OE2-NH2 3.46Å
72L91.9Very high91.2Very high54 Ų5483.5 Ų83.528%0.28345%0.45SS..Hα-helixtrans-62-42.6176-74.2173.1000112L5 R68 K69 E70 A74 I75 S76L5-L72 HydrophobicContact CD1-CD2 4.24Å; L5-L72 HydrophobicContact CD2-CD2 4.14Å; R68-L72 HydrophobicContact CG-CD1 4.37Å; R68-L72 WeakPolarHBondContact O-CB 3.47Å; R68-L72 VanDerWaalsContact O-CG 3.31Å; R68-L72 WeakPolarHBondContact O-CG 3.38Å; R68-L72 PolarHBondContact O-N 2.73Å; K69-L72 PolarHBondContact O-N 2.9Å; E70-L72 PolarHBondContact O-N 3.2Å; L72-A74 VanDerWaalsContact C-N 3.3Å; L72-A74 PolarHBondContact O-N 2.96Å; L72-I75 HydrophobicContact CD2-CD1 4.32Å; L72-I75 WeakPolarHBondContact O-CG1 3.17Å; L72-I75 PolarHBondContact O-N 2.73Å; L72-S76 WeakPolarHBondContact O-CB 3.45Å; L72-S76 PolarHBondContact O-N 2.93Å
73N91.4Very high91Very high98 Ų9881.9 Ų81.952%0.52444%0.44SS..Hα-helixtrans-66.4-32.9176.6-71.3-26.3000112.2K69 E70 E71 G77K69-N73 WeakPolarHBondContact O-CB 3.49Å; K69-N73 PolarHBondContact O-N 2.7Å; K69-N73 PolarHBondContact O-ND2 3.07Å; K69-N73 VanDerWaalsContact O-ND2 3.13Å; E70-N73 PolarHBondContact O-N 3.09Å; E71-N73 PolarHBondContact O-N 3Å; N73-G77 WeakPolarHBondContact O-CA 3.2Å; N73-G77 PolarHBondContact O-N 3.43Å
74A88.9Confident90.8Very high35 Ų3586 Ų8629%0.28946%0.456SS..Hα-helixtrans-66.2-40.6177.100000111.6E70 E71 L72 E83E70-A74 WeakPolarHBondContact O-CB 3.31Å; E70-A74 PolarHBondContact O-N 3.3Å; E71-A74 WeakPolarHBondContact O-CB 3.18Å; E71-A74 PolarHBondContact O-N 3.46Å; L72-A74 VanDerWaalsContact C-N 3.3Å; L72-A74 PolarHBondContact O-N 2.96Å; A74-E83 HydrophobicContact CB-CG 4.33Å
75I89Confident90.8Very high62 Ų6285.1 Ų85.132%0.31845%0.449SS..Hα-helixtrans-87-23.6-177.766.2173.4000114.5L5 E71 L72L5-I75 HydrophobicContact CD1-CD1 3.52Å; E71-I75 WeakPolarHBondContact O-CG1 3.34Å; E71-I75 PolarHBondContact O-N 2.98Å; E71-I75 VanDerWaalsContact O-N 3.17Å; L72-I75 HydrophobicContact CD2-CD1 4.32Å; L72-I75 WeakPolarHBondContact O-CG1 3.17Å; L72-I75 PolarHBondContact O-N 2.73Å
76S89.9Confident90.7Very high92 Ų9283.9 Ų83.964%0.64344%0.443SS*.Hα-helixtrans-111.76.1180-58.50000113.5L72L72-S76 WeakPolarHBondContact O-CB 3.45Å; L72-S76 PolarHBondContact O-N 2.93Å
77G85.1Confident90.6Very high16 Ų1684.8 Ų84.817%0.16544%0.439CS..SBendtrans-83.9176.9-178.400000113.9N73 N79 E80N73-G77 WeakPolarHBondContact O-CA 3.2Å; N73-G77 PolarHBondContact O-N 3.43Å; G77-N79 PolarHBondContact O-N 3.29Å; G77-E80 WeakPolarHBondContact O-CB 3.5Å; G77-E80 PolarHBondContact O-N 2.81Å; G77-E80 VanDerWaalsContact O-N 3.11Å
78P86.4Confident90.6Very high137 Ų13783.3 Ų83.389%0.8943%0.431SS*.THydrogen-bonded Turntrans-59.9-22.1-177.5-21.931.9000114.9
79N86Confident90.7Very high127 Ų12786.4 Ų86.468%0.67945%0.447SS*.THydrogen-bonded Turntrans-102.121.6-178.8-76-16.5000113.1G77 F81 A82 E83G77-N79 PolarHBondContact O-N 3.29Å; N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 PolarHBondContact O-N 3.44Å; N79-F81 VanDerWaalsContact O-N 3.12Å; N79-A82 PolarHBondContact O-N 2.97Å; N79-E83 PolarHBondContact O-N 3.01Å; N79-E83 VanDerWaalsContact O-N 3.12Å
80E89.2Confident90.7Very high87 Ų8783.7 Ų83.741%0.40744%0.436SS..Hα-helixtrans-47.1-42.9-176.460.2-178.1-172.500113.9G77 E83 F84G77-E80 WeakPolarHBondContact O-CB 3.5Å; G77-E80 PolarHBondContact O-N 2.81Å; G77-E80 VanDerWaalsContact O-N 3.11Å; E80-E83 PolarHBondContact O-N 3.24Å; E80-F84 VanDerWaalsContact O-CB 3.3Å; E80-F84 WeakPolarHBondContact O-CB 3.21Å; E80-F84 PolarHBondContact O-N 3.34Å
81F91.1Very high90.6Very high137 Ų13781.6 Ų81.660%0.60143%0.428SS*.Hα-helixtrans-68.3-40.4-179.3-68.6-72.4000112.6N79 E83 F84 Y85N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 PolarHBondContact O-N 3.44Å; N79-F81 VanDerWaalsContact O-N 3.12Å; F81-E83 VanDerWaalsContact C-N 3.34Å; F81-F84 PolarHBondContact O-N 3.17Å; F81-Y85 WeakPolarHBondContact O-CD2 3.19Å; F81-Y85 PolarHBondContact O-N 2.61Å
82A92Very high90.7Very high66 Ų6686.9 Ų86.955%0.54545%0.451SS..Hα-helixtrans-65.7-42.3179.100000110.7N79 Y85 N86N79-A82 PolarHBondContact O-N 2.97Å; A82-Y85 PolarHBondContact O-N 2.86Å; A82-N86 WeakPolarHBondContact O-CB 3.34Å; A82-N86 PolarHBondContact O-N 3.47Å
83E90.6Very high90.9Very high55 Ų5587.7 Ų87.726%0.25745%0.453SS..Hα-helixtrans-64.7-45.1175.6-175.657.6-159.600111.5A74 N79 E80 F81 Y85 N86 R87A74-E83 HydrophobicContact CB-CG 4.33Å; N79-E83 PolarHBondContact O-N 3.01Å; N79-E83 VanDerWaalsContact O-N 3.12Å; E80-E83 PolarHBondContact O-N 3.24Å; F81-E83 VanDerWaalsContact C-N 3.34Å; E83-Y85 PolarHBondContact O-N 3.37Å; E83-N86 WeakPolarHBondContact O-CB 3.22Å; E83-N86 PolarHBondContact O-N 3.09Å; E83-R87 WeakPolarHBondContact O-CG 3.04Å; E83-R87 PolarHBondContact O-N 3.2Å; E83-R87 IonicContact OE1-CZ 3.75Å; E83-R87 IonicContact OE1-NE 3.43Å; E83-R87 PolarHBondContact OE1-NE 3.39Å; E83-R87 IonicContact OE1-NH2 3.28Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å
84F91Very high90.8Very high119 Ų11987.2 Ų87.252%0.52245%0.446SS..Hα-helixtrans-54.7-51.1174.6172.5-95.5000112.1E80 F81 N86 R87 L88E80-F84 VanDerWaalsContact O-CB 3.3Å; E80-F84 WeakPolarHBondContact O-CB 3.21Å; E80-F84 PolarHBondContact O-N 3.34Å; F81-F84 PolarHBondContact O-N 3.17Å; F84-N86 VanDerWaalsContact C-N 3.32Å; F84-N86 PolarHBondContact O-N 2.9Å; F84-R87 PolarHBondContact O-N 3.24Å; F84-L88 HydrophobicContact CE1-CD2 4.13Å; F84-L88 HydrophobicContact CZ-CD2 4.41Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 3.07Å
85Y93.8Very high90.9Very high149 Ų14991.1 Ų91.158%0.58446%0.458SS*.Hα-helixtrans-67-33.5-179.8-75.3-61.6000112.6F81 A82 E83 L88 K89F81-Y85 WeakPolarHBondContact O-CD2 3.19Å; F81-Y85 PolarHBondContact O-N 2.61Å; A82-Y85 PolarHBondContact O-N 2.86Å; E83-Y85 PolarHBondContact O-N 3.37Å; Y85-L88 HydrophobicContact CD1-CD2 4.42Å; Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 PolarHBondContact O-N 2.84Å
86N92Very high91.1Very high74 Ų7496.9 Ų96.940%0.39648%0.476SS..Hα-helixtrans-62.9-50.5173.5-174.313000111.1A82 E83 F84 L88 K89 Q90A82-N86 WeakPolarHBondContact O-CB 3.34Å; A82-N86 PolarHBondContact O-N 3.47Å; E83-N86 WeakPolarHBondContact O-CB 3.22Å; E83-N86 PolarHBondContact O-N 3.09Å; F84-N86 VanDerWaalsContact C-N 3.32Å; F84-N86 PolarHBondContact O-N 2.9Å; N86-L88 PolarHBondContact O-N 2.86Å; N86-K89 WeakPolarHBondContact O-CB 3.41Å; N86-K89 PolarHBondContact O-N 3.12Å; N86-Q90 WeakPolarHBondContact O-CG 3.44Å; N86-Q90 PolarHBondContact O-N 2.91Å; N86-Q90 PolarHBondContact OD1-NE2 3.32Å
87R91Very high91.3Very high41 Ų4199.4 Ų99.416%0.15548%0.476CS..Hα-helixtrans-61.7-43.1176.7-67.9-179.3-174.3-151.5-5112.2E71 E83 F84 K89 Q90 I91E71-R87 VanDerWaalsContact CD-NH2 3.3Å; E71-R87 IonicContact OE1-CZ 3.7Å; E71-R87 IonicContact OE1-NH1 3.99Å; E71-R87 PolarHBondContact OE1-NH1 2.92Å; E71-R87 IonicContact OE1-NH2 2.68Å; E71-R87 PolarHBondContact OE1-NH2 2.88Å; E71-R87 IonicContact OE2-CZ 2.67Å; E71-R87 IonicContact OE2-NH1 3.17Å; E71-R87 IonicContact OE2-NH2 2.92Å; E71-R87 PolarHBondContact OE2-NH2 3.46Å; E83-R87 WeakPolarHBondContact O-CG 3.04Å; E83-R87 PolarHBondContact O-N 3.2Å; E83-R87 IonicContact OE1-CZ 3.75Å; E83-R87 IonicContact OE1-NE 3.43Å; E83-R87 PolarHBondContact OE1-NE 3.39Å; E83-R87 IonicContact OE1-NH2 3.28Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; F84-R87 PolarHBondContact O-N 3.24Å; R87-K89 VanDerWaalsContact C-N 3.28Å; R87-K89 PolarHBondContact O-N 3.03Å; R87-Q90 PolarHBondContact O-N 3.45Å; R87-Q90 VanDerWaalsContact O-N 3.16Å; R87-I91 WeakPolarHBondContact O-CG1 3.48Å; R87-I91 PolarHBondContact O-N 3.05Å
88L93.4Very high91.6Very high55 Ų55102.6 Ų102.629%0.28849%0.486SS..Hα-helixtrans-59.9-39.9176-179.462.2000111.7F84 Y85 N86 I91 K92F84-L88 HydrophobicContact CE1-CD2 4.13Å; F84-L88 HydrophobicContact CZ-CD2 4.41Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 3.07Å; Y85-L88 HydrophobicContact CD1-CD2 4.42Å; N86-L88 PolarHBondContact O-N 2.86Å; L88-I91 PolarHBondContact O-N 3.08Å; L88-K92 HydrophobicContact CG-CD 4.44Å; L88-K92 WeakPolarHBondContact O-CG 3.21Å; L88-K92 PolarHBondContact O-N 2.96Å
89K95.3Very high91.8Very high126 Ų126100.8 Ų100.855%0.54847%0.474SS..Hα-helixtrans-62.8-45.5175.3-178-177.3172.8-172.70111.1Y85 N86 R87 K92 E93Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 PolarHBondContact O-N 2.84Å; N86-K89 WeakPolarHBondContact O-CB 3.41Å; N86-K89 PolarHBondContact O-N 3.12Å; R87-K89 VanDerWaalsContact C-N 3.28Å; R87-K89 PolarHBondContact O-N 3.03Å; K89-K92 PolarHBondContact O-N 3.49Å; K89-E93 WeakPolarHBondContact CE-OE1 3.48Å; K89-E93 WeakPolarHBondContact O-CB 3.34Å; K89-E93 WeakPolarHBondContact O-CG 3.42Å; K89-E93 PolarHBondContact O-N 3.42Å
90Q92.4Very high92.1Very high77 Ų77101.8 Ų101.836%0.3648%0.48SS..Hα-helixtrans-62-42.8177.9-66.7175.43500112M1 N86 R87 E93 F94M1-Q90 HydrophobicContact CE-CB 3.58Å; M1-Q90 HydrophobicContact CE-CG 4.24Å; N86-Q90 WeakPolarHBondContact O-CG 3.44Å; N86-Q90 PolarHBondContact O-N 2.91Å; N86-Q90 PolarHBondContact OD1-NE2 3.32Å; R87-Q90 PolarHBondContact O-N 3.45Å; R87-Q90 VanDerWaalsContact O-N 3.16Å; Q90-E93 PolarHBondContact O-N 3.1Å; Q90-F94 WeakPolarHBondContact O-CB 3.27Å; Q90-F94 PolarHBondContact O-N 2.54Å
91I91.2Very high92Very high81 Ų81103.2 Ų103.242%0.41549%0.486SS..Hα-helixtrans-60.2-47.6174.6-67.9166.5000110.7R87 L88 E93 F94 H95R87-I91 WeakPolarHBondContact O-CG1 3.48Å; R87-I91 PolarHBondContact O-N 3.05Å; L88-I91 PolarHBondContact O-N 3.08Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 3.03Å; I91-F94 WeakPolarHBondContact O-CB 3.16Å; I91-F94 PolarHBondContact O-N 2.91Å; I91-H95 PolarHBondContact O-CD2 3.43Å; I91-H95 VanDerWaalsContact O-CD2 3.23Å; I91-H95 PolarHBondContact O-N 3.14Å; I91-H95 VanDerWaalsContact O-N 3.08Å
92K93.8Very high91.7Very high137 Ų137103.5 Ų103.560%0.59649%0.493SS*.Hα-helixtrans-62.1-40.9177.4-74.6179178.6-177.60112.3L88 K89 F94 R96L88-K92 HydrophobicContact CG-CD 4.44Å; L88-K92 WeakPolarHBondContact O-CG 3.21Å; L88-K92 PolarHBondContact O-N 2.96Å; K89-K92 PolarHBondContact O-N 3.49Å; K92-F94 VanDerWaalsContact C-N 3.35Å; K92-R96 WeakPolarHBondContact O-CB 3.24Å; K92-R96 PolarHBondContact O-N 2.95Å
93E94.6Very high91.4Very high70 Ų70105.9 Ų105.933%0.32750%0.504SS..Hα-helixtrans-65.2-38.2176.7-77.9-178.1-172.700112.3K89 Q90 I91 R96 K97K89-E93 WeakPolarHBondContact CE-OE1 3.48Å; K89-E93 WeakPolarHBondContact O-CB 3.34Å; K89-E93 WeakPolarHBondContact O-CG 3.42Å; K89-E93 PolarHBondContact O-N 3.42Å; Q90-E93 PolarHBondContact O-N 3.1Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 3.03Å; E93-R96 PolarHBondContact O-N 3.4Å; E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 3.27Å; E93-K97 VanDerWaalsContact O-N 3.09Å
94F90.9Very high91.2Very high89 Ų89108.1 Ų108.139%0.3952%0.521SS..Hα-helixtrans-60.1-58174.3-179.5-93.7000111.1Q90 I91 K92 R96 K97 H98 E101Q90-F94 WeakPolarHBondContact O-CB 3.27Å; Q90-F94 PolarHBondContact O-N 2.54Å; I91-F94 WeakPolarHBondContact O-CB 3.16Å; I91-F94 PolarHBondContact O-N 2.91Å; K92-F94 VanDerWaalsContact C-N 3.35Å; F94-R96 PolarHBondContact O-N 2.99Å; F94-R96 VanDerWaalsContact O-N 3.16Å; F94-K97 PolarHBondContact O-N 3.28Å; F94-H98 AromaticContact CD2-CD2 3.71Å; F94-H98 AromaticContact CE2-CD2 3.63Å; F94-H98 AromaticContact CE2-NE2 3.97Å; F94-H98 PolarHBondContact O-CD2 2.85Å; F94-H98 VanDerWaalsContact O-CD2 3.26Å; F94-H98 PolarHBondContact O-N 3.05Å; F94-E101 WeakPolarHBondContact CZ-OE2 3.32Å
95H89.9Confident91.2Very high117 Ų117105.7 Ų105.754%0.54252%0.517SS..Hα-helixtrans-61.3-29.9180-72.1-68.9000113.4I91 H98I91-H95 PolarHBondContact O-CD2 3.43Å; I91-H95 VanDerWaalsContact O-CD2 3.23Å; I91-H95 PolarHBondContact O-N 3.14Å; I91-H95 VanDerWaalsContact O-N 3.08Å; H95-H98 CarbonylContact O-C 3.55Å; H95-H98 PolarHBondContact O-N 3.39Å
96R93.8Very high91Very high183 Ų183100.1 Ų100.169%0.69150%0.497SS*.Hα-helixtrans-67.3-38.1173.2-173.5-177.267.2158.7-1.6112.5K92 E93 F94K92-R96 WeakPolarHBondContact O-CB 3.24Å; K92-R96 PolarHBondContact O-N 2.95Å; E93-R96 PolarHBondContact O-N 3.4Å; F94-R96 PolarHBondContact O-N 2.99Å; F94-R96 VanDerWaalsContact O-N 3.16Å
97K94.4Very high91Very high145 Ų14597.6 Ų97.663%0.6349%0.485SS*.Hα-helixtrans-76-26.7177.5-73178.8-177.2178.50112.3E93 F94 P99E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 3.27Å; E93-K97 VanDerWaalsContact O-N 3.09Å; F94-K97 PolarHBondContact O-N 3.28Å; K97-P99 WeakPolarHBondContact O-CD 3.46Å
98H91.7Very high91.1Very high82 Ų8297.7 Ų97.738%0.3849%0.49SS..  trans-12363.1-173.9-58.8-83.4000112.3F94 H95 N100 E101F94-H98 AromaticContact CD2-CD2 3.71Å; F94-H98 AromaticContact CE2-CD2 3.63Å; F94-H98 AromaticContact CE2-NE2 3.97Å; F94-H98 PolarHBondContact O-CD2 2.85Å; F94-H98 VanDerWaalsContact O-CD2 3.26Å; F94-H98 PolarHBondContact O-N 3.05Å; H95-H98 CarbonylContact O-C 3.55Å; H95-H98 PolarHBondContact O-N 3.39Å; H98-N100 VanDerWaalsContact C-N 3.28Å; H98-N100 PolarHBondContact O-N 3.44Å; H98-E101 HydrophobicContact CB-CB 3.92Å; H98-E101 WeakPolarHBondContact CB-OE2 3.25Å; H98-E101 IonicContact CG-OE2 3.3Å; H98-E101 VanDerWaalsContact CG-OE2 3.3Å; H98-E101 IonicContact ND1-OE2 3.54Å; H98-E101 PolarHBondContact O-N 2.9Å
99P90.2Very high91.1Very high99 Ų9998.8 Ų98.864%0.64349%0.494SS*.THydrogen-bonded Turntrans-69.4-23.3-174.228.1-35.9000114.1K97K97-P99 WeakPolarHBondContact O-CD 3.46Å
100N91.3Very high91Very high149 Ų14993.1 Ų93.180%0.79747%0.469SS*.THydrogen-bonded Turntrans-106.28.2-176.5-61.1-22.6000112.7H98 I102H98-N100 VanDerWaalsContact C-N 3.28Å; H98-N100 PolarHBondContact O-N 3.44Å; N100-I102 PolarHBondContact O-N 2.96Å
101E88.1Confident90.9Very high116 Ų11694 Ų9454%0.54247%0.473SS..  trans-75.5116.8178.9-172.7169-176.300109.5F94 H98F94-E101 WeakPolarHBondContact CZ-OE2 3.32Å; H98-E101 HydrophobicContact CB-CB 3.92Å; H98-E101 WeakPolarHBondContact CB-OE2 3.25Å; H98-E101 IonicContact CG-OE2 3.3Å; H98-E101 VanDerWaalsContact CG-OE2 3.3Å; H98-E101 IonicContact ND1-OE2 3.54Å; H98-E101 PolarHBondContact O-N 2.9Å
102I85.1Confident90.9Very high144 Ų14495.6 Ų95.674%0.73848%0.479SS*.  trans-84.1120.2178.7-60.4173.9000107.5N100 V104N100-I102 PolarHBondContact O-N 2.96Å; I102-V104 PolarHBondContact O-N 3.32Å
103C84.1Confident90.7Very high115 Ų11592.2 Ų92.278%0.77747%0.467SS*.  trans-72.4115.4169.3-178.20000108.4P105C103-P105 WeakPolarHBondContact O-CD 3.48Å
104V86.8Confident90.5Very high102 Ų10290.4 Ų90.462%0.61846%0.46SS*.  trans-95.1111.3173.4-177.30000107.6I102 V108I102-V104 PolarHBondContact O-N 3.32Å; V104-V108 HydrophobicContact CG1-CB 3.85Å; V104-V108 HydrophobicContact CG1-CG1 4.11Å; V104-V108 HydrophobicContact CG1-CG2 3.91Å
105P90.6Very high90.3Very high69 Ų6992 Ų9245%0.44847%0.466SS..  trans-64149.7175.6-20.333000110.9C103 S107 V108C103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-S107 PolarHBondContact O-N 3.32Å; P105-S107 VanDerWaalsContact O-N 3.12Å; P105-V108 WeakPolarHBondContact O-CB 3.29Å; P105-V108 WeakPolarHBondContact O-CG2 3.39Å; P105-V108 PolarHBondContact O-N 2.95Å
106M91.5Very high90.2Very high31 Ų3189 Ų8915%0.15346%0.461CS..THydrogen-bonded Turntrans-57.9-28.7176.5-166.5-170.7-56.700112.5R10 E13 E14 V108 E109 F110R10-M106 HydrophobicContact CB-CE 4.43Å; R10-M106 HydrophobicContact CG-CE 3.41Å; R10-M106 VanDerWaalsContact CG-CE 3.41Å; E13-M106 HydrophobicContact CB-CE 4.4Å; E13-M106 HydrophobicContact CG-CE 4.32Å; E13-M106 HydrophobicContact CG-SD 4.23Å; E14-M106 VanDerWaalsContact CA-SD 3.56Å; E14-M106 HydrophobicContact CB-CE 4.19Å; E14-M106 HydrophobicContact CB-SD 3.6Å; E14-M106 HydrophobicContact CG-SD 4.01Å; M106-V108 PolarHBondContact O-N 3.17Å; M106-V108 VanDerWaalsContact O-N 3.12Å; M106-E109 PolarHBondContact O-N 2.88Å; M106-F110 HydrophobicContact CG-CD2 4.29Å; M106-F110 HydrophobicContact CG-CE2 3.78Å; M106-F110 WeakPolarHBondContact O-CD2 3.47Å; M106-F110 HydrophobicContact SD-CE2 3.91Å
107S92Very high89.8Confident21 Ų2182.5 Ų82.515%0.14744%0.437CS..Hα-helixtrans-56.9-27.317762.90000113.7P105 E109 F110 E111P105-S107 PolarHBondContact O-N 3.32Å; P105-S107 VanDerWaalsContact O-N 3.12Å; S107-E109 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact O-N 3.38Å; S107-F110 PolarHBondContact O-N 3.35Å; S107-E111 WeakPolarHBondContact O-CG 3.42Å; S107-E111 PolarHBondContact O-N 3.36Å
108V93.1Very high89.4Confident43 Ų4381.3 Ų81.326%0.26143%0.434SS..Hα-helixtrans-62-42.6179.9177.40000111V104 P105 M106 F110 E111 E112V104-V108 HydrophobicContact CG1-CB 3.85Å; V104-V108 HydrophobicContact CG1-CG1 4.11Å; V104-V108 HydrophobicContact CG1-CG2 3.91Å; P105-V108 WeakPolarHBondContact O-CB 3.29Å; P105-V108 WeakPolarHBondContact O-CG2 3.39Å; P105-V108 PolarHBondContact O-N 2.95Å; M106-V108 PolarHBondContact O-N 3.17Å; M106-V108 VanDerWaalsContact O-N 3.12Å; V108-F110 VanDerWaalsContact C-N 3.33Å; V108-F110 PolarHBondContact O-N 3.13Å; V108-E111 PolarHBondContact O-N 3.37Å; V108-E112 WeakPolarHBondContact O-CG 3.49Å; V108-E112 PolarHBondContact O-N 3.44Å
109E92.5Very high89Confident79 Ų7983.8 Ų83.837%0.36945%0.45SS..Hα-helixtrans-60-44.1177.1-174.5-171.9176.600111.4R49 M106 S107 E112 L113R49-E109 IonicContact CZ-OE1 2.88Å; R49-E109 VanDerWaalsContact CZ-OE1 3.25Å; R49-E109 IonicContact CZ-OE2 3.49Å; R49-E109 IonicContact NH1-OE1 3.43Å; R49-E109 PolarHBondContact NH1-OE1 3.29Å; R49-E109 IonicContact NH1-OE2 2.72Å; R49-E109 IonicContact NH2-OE1 2.77Å; R49-E109 PolarHBondContact NH2-OE1 2.93Å; R49-E109 VanDerWaalsContact NH2-OE1 3.07Å; R49-E109 IonicContact NH2-OE2 2.77Å; R49-E109 PolarHBondContact NH2-OE2 3.15Å; M106-E109 PolarHBondContact O-N 2.88Å; S107-E109 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact O-N 3.38Å; E109-E112 WeakPolarHBondContact O-CB 2.96Å; E109-E112 PolarHBondContact O-N 3.3Å; E109-L113 WeakPolarHBondContact O-CG 3.43Å; E109-L113 PolarHBondContact O-N 3.03Å
110F92.9Very high88.7Confident7 Ų781.3 Ų81.33%0.03143%0.434CS..Hα-helixtrans-70.8-32.6178.8-68.6-80.6000112.8E14 R17 L18 V21 M106 S107 V108 L113 L114E14-F110 HydrophobicContact CG-CZ 4.26Å; R17-F110 HydrophobicContact CB-CD1 3.9Å; R17-F110 HydrophobicContact CB-CD2 3.49Å; R17-F110 VanDerWaalsContact CB-CD2 3.49Å; R17-F110 HydrophobicContact CB-CE1 3.69Å; R17-F110 HydrophobicContact CB-CE2 3.28Å; R17-F110 HydrophobicContact CB-CG 3.8Å; R17-F110 HydrophobicContact CB-CZ 3.39Å; R17-F110 HydrophobicContact CG-CD2 3.88Å; R17-F110 HydrophobicContact CG-CE2 3.82Å; R17-F110 HydrophobicContact CG-CG 4.5Å; R17-F110 HydrophobicContact CG-CZ 4.38Å; L18-F110 HydrophobicContact CB-CE1 4.46Å; L18-F110 HydrophobicContact CD2-CE1 3.71Å; L18-F110 HydrophobicContact CD2-CZ 4.23Å; L18-F110 HydrophobicContact CG-CE1 3.76Å; L18-F110 HydrophobicContact CG-CZ 3.95Å; V21-F110 HydrophobicContact CB-CD1 4.32Å; V21-F110 HydrophobicContact CG2-CB 3.86Å; V21-F110 HydrophobicContact CG2-CD1 3.61Å; V21-F110 HydrophobicContact CG2-CG 4.15Å; M106-F110 HydrophobicContact CG-CD2 4.29Å; M106-F110 HydrophobicContact CG-CE2 3.78Å; M106-F110 WeakPolarHBondContact O-CD2 3.47Å; M106-F110 HydrophobicContact SD-CE2 3.91Å; S107-F110 PolarHBondContact O-N 3.35Å; V108-F110 VanDerWaalsContact C-N 3.33Å; V108-F110 PolarHBondContact O-N 3.13Å; F110-L113 HydrophobicContact CD1-CD1 4.24Å; F110-L114 WeakPolarHBondContact O-CG 3.37Å; F110-L114 PolarHBondContact O-N 3.27Å
111E90.7Very high88.2Confident95 Ų9577.5 Ų77.544%0.44442%0.418SS..Hα-helixtrans-67.2-36.4170.8-73.9172.3-155.900111.8S107 V108 L114 K115S107-E111 WeakPolarHBondContact O-CG 3.42Å; S107-E111 PolarHBondContact O-N 3.36Å; V108-E111 PolarHBondContact O-N 3.37Å; E111-L114 PolarHBondContact O-N 3.1Å; E111-K115 WeakPolarHBondContact O-CG 3.37Å; E111-K115 PolarHBondContact O-N 2.98Å
112E90.9Very high87.7Confident114 Ų11479.8 Ų79.853%0.53343%0.429SS..Hα-helixtrans-65.5-40.5174.7-74.7173.7172.900111.7V108 E109 L114 K115 A116V108-E112 WeakPolarHBondContact O-CG 3.49Å; V108-E112 PolarHBondContact O-N 3.44Å; E109-E112 WeakPolarHBondContact O-CB 2.96Å; E109-E112 PolarHBondContact O-N 3.3Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.43Å; E112-K115 PolarHBondContact O-N 3.2Å; E112-A116 WeakPolarHBondContact O-CB 3.46Å; E112-A116 PolarHBondContact O-N 2.88Å
113L90Very high87.2Confident67 Ų6780.9 Ų80.935%0.35143%0.431SS..Hα-helixtrans-58.2-43.1172.9-69.9174.8000112.1E109 F110 A116 R117E109-L113 WeakPolarHBondContact O-CG 3.43Å; E109-L113 PolarHBondContact O-N 3.03Å; F110-L113 HydrophobicContact CD1-CD1 4.24Å; L113-A116 PolarHBondContact O-N 3.49Å; L113-R117 PolarHBondContact O-N 3.48Å; L113-R117 VanDerWaalsContact O-N 3.16Å
114L89.2Confident86.9Confident32 Ų3276.8 Ų76.817%0.16841%0.406CS..Hα-helixtrans-66.3-40.4177.3-67.8173.6000112.2V21 K24 F110 E111 E112 R117 E118V21-L114 HydrophobicContact CG1-CD2 4.15Å; K24-L114 HydrophobicContact CB-CD2 4.45Å; K24-L114 HydrophobicContact CD-CD1 4.26Å; K24-L114 HydrophobicContact CD-CD2 4.43Å; F110-L114 WeakPolarHBondContact O-CG 3.37Å; F110-L114 PolarHBondContact O-N 3.27Å; E111-L114 PolarHBondContact O-N 3.1Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.43Å; L114-R117 PolarHBondContact O-N 3.48Å; L114-E118 WeakPolarHBondContact O-CG 3.49Å; L114-E118 PolarHBondContact O-N 3.13Å
115K88.1Confident86.6Confident122 Ų12275.6 Ų75.653%0.5339%0.393SS..Hα-helixtrans-66.5-40.6176.4-72.9170.8-173.6164.60112.2E111 E112 R117 E118 N119E111-K115 WeakPolarHBondContact O-CG 3.37Å; E111-K115 PolarHBondContact O-N 2.98Å; E112-K115 PolarHBondContact O-N 3.2Å; K115-R117 VanDerWaalsContact C-N 3.27Å; K115-R117 PolarHBondContact O-N 3.2Å; K115-E118 PolarHBondContact O-N 2.97Å; K115-N119 PolarHBondContact O-N 2.86Å
116A86.9Confident86.1Confident53 Ų5376.4 Ų76.444%0.43839%0.394SS..Hα-helixtrans-64-34178.200000111.8E112 L113 N119 P120E112-A116 WeakPolarHBondContact O-CB 3.46Å; E112-A116 PolarHBondContact O-N 2.88Å; L113-A116 PolarHBondContact O-N 3.49Å; A116-N119 CarbonylContact O-C 3.42Å; A116-N119 VanDerWaalsContact O-C 3.31Å; A116-P120 WeakPolarHBondContact O-CA 3.39Å; A116-P120 VanDerWaalsContact O-N 3.16Å
117R86.4Confident85.9Confident47 Ų4779 Ų7918%0.17741%0.408CS..Hα-helixtrans-66.5-43.1171177.1-154.267.7-174.4-1.3112.5E25 T28 L113 L114 K115E25-R117 WeakPolarHBondContact OE2-CD 3.38Å; E25-R117 IonicContact OE2-NH1 3.06Å; T28-R117 PolarHBondContact OG1-NH1 3.03Å; T28-R117 VanDerWaalsContact OG1-NH1 3.14Å; L113-R117 PolarHBondContact O-N 3.48Å; L113-R117 VanDerWaalsContact O-N 3.16Å; L114-R117 PolarHBondContact O-N 3.48Å; K115-R117 VanDerWaalsContact C-N 3.27Å; K115-R117 PolarHBondContact O-N 3.2Å
118E85Confident85.8Confident121 Ų12178.8 Ų78.857%0.56541%0.406SS*.Hα-helixtrans-71.8-30.2-177.8-73.4171.6-170.700113.2L114 K115L114-E118 WeakPolarHBondContact O-CG 3.49Å; L114-E118 PolarHBondContact O-N 3.13Å; K115-E118 PolarHBondContact O-N 2.97Å
119N84.1Confident85.8Confident133 Ų13385.2 Ų85.271%0.71143%0.433SS*.SBendtrans-131.875.4175.6-63.8-64.4000109.4K115 A116K115-N119 PolarHBondContact O-N 2.86Å; A116-N119 CarbonylContact O-C 3.42Å; A116-N119 VanDerWaalsContact O-C 3.31Å
120P82.7Confident85.9Confident48 Ų4883 Ų8331%0.31242%0.422SS..  trans-68.4137.2-178.729.2-33.2000110A116 A124 Q125A116-P120 WeakPolarHBondContact O-CA 3.39Å; A116-P120 VanDerWaalsContact O-N 3.16Å; P120-A124 HydrophobicContact CB-CB 3.88Å; P120-Q125 HydrophobicContact CB-CG 3.93Å; P120-Q125 HydrophobicContact CG-CG 3.81Å
121S82Confident85.9Confident68 Ų6885.4 Ų85.448%0.47644%0.438SS..  trans-64.1164163.1590000110.1E123 A124 Q125S121-E123 PolarHBondContact O-N 2.83Å; S121-A124 CarbonylContact O-C 3.31Å; S121-A124 WeakPolarHBondContact O-CA 3.47Å; S121-A124 PolarHBondContact O-N 2.89Å; S121-A124 WeakPolarHBondContact OG-CB 3.37Å; S121-A124 PolarHBondContact OG-N 2.96Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 2.79Å
122E76.3Confident85.8Confident164 Ų16488.6 Ų88.677%0.76646%0.458SS*.Hα-helixtrans-53.5-39.7173.6-68.2178.7176.400111.8A124 Q125 N126E122-A124 PolarHBondContact O-N 2.79Å; E122-Q125 PolarHBondContact O-N 3.09Å; E122-N126 PolarHBondContact O-N 3.15Å
123E75.5Confident85.9Confident168 Ų16887.6 Ų87.679%0.78545%0.453SS*.Hα-helixtrans-63.8-38.9174.6-64.5175.3173.300112.3S121 Q125 N126S121-E123 PolarHBondContact O-N 2.83Å; E123-Q125 VanDerWaalsContact C-N 3.32Å; E123-N126 CarbonylContact O-C 3.58Å; E123-N126 VanDerWaalsContact O-C 3.28Å; E123-N126 PolarHBondContact O-N 3.46Å
124A78.3Confident86.2Confident29 Ų2984.5 Ų84.524%0.2444%0.437CS..Hα-helixtrans-76.1-19.9178.800000113.1P120 S121 E122P120-A124 HydrophobicContact CB-CB 3.88Å; S121-A124 CarbonylContact O-C 3.31Å; S121-A124 WeakPolarHBondContact O-CA 3.47Å; S121-A124 PolarHBondContact O-N 2.89Å; S121-A124 WeakPolarHBondContact OG-CB 3.37Å; S121-A124 PolarHBondContact OG-N 2.96Å; E122-A124 PolarHBondContact O-N 2.79Å
125Q79.2Confident86.3Confident76 Ų7684.2 Ų84.236%0.35544%0.442SS..Hα-helixtrans-72.7-31.8171.2-69.5178.4-1.600111.7N38 P120 S121 E122 E123N38-Q125 PolarHBondContact ND2-O 2.68Å; P120-Q125 HydrophobicContact CB-CG 3.93Å; P120-Q125 HydrophobicContact CG-CG 3.81Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 2.79Å; E122-Q125 PolarHBondContact O-N 3.09Å; E123-Q125 VanDerWaalsContact C-N 3.32Å
126N81.8Confident86.6Confident87 Ų8779.2 Ų79.247%0.46542%0.42SS..THydrogen-bonded Turntrans-109.258.4175.8-65.9-40000110.7E122 E123 V128 Y136E122-N126 PolarHBondContact O-N 3.15Å; E123-N126 CarbonylContact O-C 3.58Å; E123-N126 VanDerWaalsContact O-C 3.28Å; E123-N126 PolarHBondContact O-N 3.46Å; N126-V128 PolarHBondContact O-N 3.28Å; N126-Y136 HydrophobicContact CB-CE2 4.49Å
127L86.5Confident86.9Confident84 Ų8476.7 Ų76.744%0.4440%0.399SS..  trans-61-27.6-177.7-169.164.8000112.4N38 H41 R42 Y136N38-L127 WeakPolarHBondContact OD1-CB 3.47Å; H41-L127 HydrophobicContact CB-CD2 3.57Å; H41-L127 HydrophobicContact CB-CG 4.46Å; R42-L127 HydrophobicContact CG-CD2 4.07Å; L127-Y136 PolarHBondContact N-OH 3.28Å
128V90.4Very high87.4Confident17 Ų1777.7 Ų77.710%0.10340%0.403CS..SBendtrans-125.5140.1178.2-177.40000110.7H41 N126 F130 Y136 R199H41-V128 HydrophobicContact CB-CG2 4.49Å; H41-V128 WeakPolarHBondContact CD2-CG2 3.24Å; H41-V128 WeakPolarHBondContact NE2-CG2 3.37Å; N126-V128 PolarHBondContact O-N 3.28Å; V128-F130 HydrophobicContact CB-CD2 4.37Å; V128-F130 HydrophobicContact CB-CE2 3.92Å; V128-F130 HydrophobicContact CG1-CD2 4.15Å; V128-F130 HydrophobicContact CG1-CE2 3.67Å; V128-F130 HydrophobicContact CG1-CZ 4.22Å; V128-Y136 PolarHBondContact N-OH 2.88Å; V128-Y136 WeakPolarHBondContact O-CE2 3.27Å; V128-Y136 PolarHBondContact O-OH 3.34Å; V128-R199 HydrophobicContact CG1-CB 3.78Å; V128-R199 HydrophobicContact CG1-CG 3.56Å
129E91.9Very high88Confident178 Ų17872.3 Ų72.383%0.83238%0.377SS*.  trans-78.7125177.1-63.3-177.9176.100110.2R199E129-R199 VanDerWaalsContact O-CD 3.26Å; E129-R199 WeakPolarHBondContact O-CD 3.24Å; E129-R199 PolarHBondContact O-NH1 3.31Å
130F94.1Very high88.6Confident32 Ų3266.2 Ų66.214%0.1435%0.345CS..  trans-126.8149.8169.7-73.9-88.3000108.9I37 V128 E134 Y136 Y196 R199 V200I37-F130 HydrophobicContact CD1-CZ 4.23Å; I37-F130 HydrophobicContact CG2-CE2 4.2Å; I37-F130 HydrophobicContact CG2-CZ 4.41Å; V128-F130 HydrophobicContact CB-CD2 4.37Å; V128-F130 HydrophobicContact CB-CE2 3.92Å; V128-F130 HydrophobicContact CG1-CD2 4.15Å; V128-F130 HydrophobicContact CG1-CE2 3.67Å; V128-F130 HydrophobicContact CG1-CZ 4.22Å; F130-E134 WeakPolarHBondContact CA-OE2 3.42Å; F130-E134 HydrophobicContact CB-CB 4.22Å; F130-E134 HydrophobicContact CD1-CB 4.01Å; F130-E134 WeakPolarHBondContact CD1-OE2 3.39Å; F130-Y136 HydrophobicContact CD2-CD1 4.06Å; F130-Y136 AromaticContact CD2-CD2 3.83Å; F130-Y136 HydrophobicContact CD2-CD2 3.83Å; F130-Y136 HydrophobicContact CD2-CE1 4.18Å; F130-Y136 AromaticContact CD2-CE2 3.95Å; F130-Y136 HydrophobicContact CD2-CE2 3.95Å; F130-Y136 AromaticContact CD2-CG 3.88Å; F130-Y136 HydrophobicContact CD2-CG 3.88Å; F130-Y136 HydrophobicContact CE2-CD1 4.01Å; F130-Y136 AromaticContact CE2-CE1 3.97Å; F130-Y136 HydrophobicContact CE2-CE1 3.97Å; F130-Y136 HydrophobicContact CE2-CG 4.3Å; F130-Y196 HydrophobicContact CD1-CE2 4.4Å; F130-Y196 HydrophobicContact CE1-CE2 4.2Å; F130-R199 HydrophobicContact CE1-CB 3.92Å; F130-R199 HydrophobicContact CE2-CB 4.44Å; F130-R199 HydrophobicContact CZ-CB 3.66Å; F130-V200 HydrophobicContact CE1-CG2 3.75Å; F130-V200 HydrophobicContact CZ-CG2 3.87Å
131T93.4Very high89.3Confident59 Ų5966 Ų6636%0.36234%0.341SS..  trans-70.8157.416977.80000109.7E133 E134 D141T131-E133 PolarHBondContact O-N 3.12Å; T131-E134 PolarHBondContact N-OE2 3.05Å; T131-E134 WeakPolarHBondContact O-CB 3.44Å; T131-E134 PolarHBondContact O-N 3.28Å; T131-E134 VanDerWaalsContact OG1-CG 3.3Å; T131-E134 WeakPolarHBondContact OG1-CG 3.34Å; T131-E134 PolarHBondContact OG1-N 2.9Å; T131-D141 PolarHBondContact OG1-OD2 3.1Å
132D89.4Confident90Very high161 Ų16162.8 Ų62.886%0.86132%0.318SS*.G310 helixtrans-59.4-36.2177.9-62.3-29.6000111.3E134 G135D132-E134 VanDerWaalsContact C-N 3.31Å; D132-E134 PolarHBondContact O-N 3.41Å; D132-G135 PolarHBondContact O-N 3.18Å
133E92.1Very high90.8Very high94 Ų9459 Ų5944%0.43930%0.3SS..G310 helixtrans-70.8-23.8177.2-67.5-65.9168.200113.3T131 G135 Y139 D141 K348T131-E133 PolarHBondContact O-N 3.12Å; E133-G135 VanDerWaalsContact C-N 3.28Å; E133-Y139 WeakPolarHBondContact O-CB 3.36Å; E133-D141 HydrophobicContact CB-CB 4.19Å; E133-K348 IonicContact OE1-NZ 3.32Å; E133-K348 IonicContact OE2-NZ 3.34Å; E133-K348 PolarHBondContact OE2-NZ 2.66Å
134E95.8Very high91.7Very high1 Ų156.5 Ų56.51%0.00529%0.293CS..G310 helixtrans-75-18.5175.5-72.6171.7153.100112.7F130 T131 D132 Y136 G137 R138 Y139 D141 Y192 Y196 R199F130-E134 WeakPolarHBondContact CA-OE2 3.42Å; F130-E134 HydrophobicContact CB-CB 4.22Å; F130-E134 HydrophobicContact CD1-CB 4.01Å; F130-E134 WeakPolarHBondContact CD1-OE2 3.39Å; T131-E134 PolarHBondContact N-OE2 3.05Å; T131-E134 WeakPolarHBondContact O-CB 3.44Å; T131-E134 PolarHBondContact O-N 3.28Å; T131-E134 VanDerWaalsContact OG1-CG 3.3Å; T131-E134 WeakPolarHBondContact OG1-CG 3.34Å; T131-E134 PolarHBondContact OG1-N 2.9Å; D132-E134 VanDerWaalsContact C-N 3.31Å; D132-E134 PolarHBondContact O-N 3.41Å; E134-Y136 VanDerWaalsContact C-N 3.31Å; E134-Y136 PolarHBondContact O-N 3.35Å; E134-G137 PolarHBondContact O-N 2.88Å; E134-R138 PolarHBondContact O-N 2.94Å; E134-Y139 VanDerWaalsContact CA-O 3.31Å; E134-Y139 WeakPolarHBondContact CA-O 3.34Å; E134-Y139 PolarHBondContact O-N 3.44Å; E134-D141 HydrophobicContact CG-CB 3.79Å; E134-Y192 WeakPolarHBondContact OE1-CE2 3.43Å; E134-Y192 PolarHBondContact OE1-OH 3.34Å; E134-Y196 HydrophobicContact CB-CE2 4.19Å; E134-Y196 HydrophobicContact CG-CD2 4.31Å; E134-Y196 HydrophobicContact CG-CE2 3.87Å; E134-Y196 WeakPolarHBondContact OE1-CD2 3.45Å; E134-R199 IonicContact OE1-CZ 3.26Å; E134-R199 IonicContact OE1-NH1 2.7Å; E134-R199 IonicContact OE1-NH2 2.91Å; E134-R199 PolarHBondContact OE1-NH2 2.98Å; E134-R199 IonicContact OE2-CZ 2.67Å; E134-R199 IonicContact OE2-NH1 3.79Å; E134-R199 PolarHBondContact OE2-NH1 3.44Å; E134-R199 IonicContact OE2-NH2 2.66Å; E134-R199 PolarHBondContact OE2-NH2 3.31Å
135G92.3Very high92.6Very high27 Ų2755.3 Ų55.328%0.27828%0.282SS..THydrogen-bonded Turntrans55.743.6177.300000113.2D132 E133 G137 R138D132-G135 PolarHBondContact O-N 3.18Å; E133-G135 VanDerWaalsContact C-N 3.28Å; G135-G137 PolarHBondContact O-N 2.99Å; G135-R138 WeakPolarHBondContact O-CB 3.42Å; G135-R138 PolarHBondContact O-N 3.23Å
136Y93.5Very high93.3Very high17 Ų1753.4 Ų53.47%0.06727%0.272CS..THydrogen-bonded Turntrans54.547.7-176.2-145-85.4000113.6R34 I37 N38 N126 L127 V128 F130 E134R34-Y136 HydrophobicContact CB-CD1 3.74Å; R34-Y136 HydrophobicContact CB-CE1 4.09Å; R34-Y136 HydrophobicContact CB-CG 4.27Å; R34-Y136 HydrophobicContact CG-CD1 3.69Å; R34-Y136 HydrophobicContact CG-CD2 4.5Å; R34-Y136 HydrophobicContact CG-CE1 3.6Å; R34-Y136 HydrophobicContact CG-CE2 4.42Å; R34-Y136 HydrophobicContact CG-CG 4.17Å; I37-Y136 HydrophobicContact CB-CE1 4.22Å; I37-Y136 HydrophobicContact CD1-CD1 4.17Å; I37-Y136 WeakPolarHBondContact CD1-O 3.42Å; I37-Y136 HydrophobicContact CG2-CE1 4.02Å; N38-Y136 PolarHBondContact OD1-OH 3.42Å; N126-Y136 HydrophobicContact CB-CE2 4.49Å; L127-Y136 PolarHBondContact N-OH 3.28Å; V128-Y136 PolarHBondContact N-OH 2.88Å; V128-Y136 WeakPolarHBondContact O-CE2 3.27Å; V128-Y136 PolarHBondContact O-OH 3.34Å; F130-Y136 HydrophobicContact CD2-CD1 4.06Å; F130-Y136 AromaticContact CD2-CD2 3.83Å; F130-Y136 HydrophobicContact CD2-CD2 3.83Å; F130-Y136 HydrophobicContact CD2-CE1 4.18Å; F130-Y136 AromaticContact CD2-CE2 3.95Å; F130-Y136 HydrophobicContact CD2-CE2 3.95Å; F130-Y136 AromaticContact CD2-CG 3.88Å; F130-Y136 HydrophobicContact CD2-CG 3.88Å; F130-Y136 HydrophobicContact CE2-CD1 4.01Å; F130-Y136 AromaticContact CE2-CE1 3.97Å; F130-Y136 HydrophobicContact CE2-CE1 3.97Å; F130-Y136 HydrophobicContact CE2-CG 4.3Å; E134-Y136 VanDerWaalsContact C-N 3.31Å; E134-Y136 PolarHBondContact O-N 3.35Å
137G95.2Very high93.9Very high0 Ų052.5 Ų52.50%027%0.267CS..THydrogen-bonded Turntrans88.88.8177.100000115.2E134 G135 Y196 Q337E134-G137 PolarHBondContact O-N 2.88Å; G135-G137 PolarHBondContact O-N 2.99Å; G137-Y196 VanDerWaalsContact CA-OH 3.31Å; G137-Y196 WeakPolarHBondContact CA-OH 3.25Å; G137-Y196 PolarHBondContact O-OH 3.31Å; G137-Q337 WeakPolarHBondContact O-CG 3.49Å
138R95.5Very high94.1Very high68 Ų6851.7 Ų51.726%0.25726%0.26SS..THydrogen-bonded Turntrans-82.1-37.2177.5-169.2174.3-172144.511.6112.5L33 E134 G135 L340 E370L33-R138 HydrophobicContact CD2-CB 3.91Å; L33-R138 HydrophobicContact CD2-CG 4.48Å; E134-R138 PolarHBondContact O-N 2.94Å; G135-R138 WeakPolarHBondContact O-CB 3.42Å; G135-R138 PolarHBondContact O-N 3.23Å; R138-L340 HydrophobicContact CG-CD1 4.34Å; R138-E370 IonicContact CZ-OE1 2.75Å; R138-E370 IonicContact NH1-OE1 2.95Å; R138-E370 PolarHBondContact NH1-OE1 3Å; R138-E370 IonicContact NH2-OE1 3.96Å; R138-E370 PolarHBondContact NH2-OE1 3.01Å
139Y97.3Very high94.2Very high8 Ų852.4 Ų52.43%0.03126%0.261CS..SBendtrans-128.6160.6-175.2-49.3-60.8000111.1E133 E134 Y196 L340 T341 N344E133-Y139 WeakPolarHBondContact O-CB 3.36Å; E134-Y139 VanDerWaalsContact CA-O 3.31Å; E134-Y139 WeakPolarHBondContact CA-O 3.34Å; E134-Y139 PolarHBondContact O-N 3.44Å; Y139-Y196 VanDerWaalsContact O-CE2 3.22Å; Y139-Y196 WeakPolarHBondContact O-CE2 3.49Å; Y139-Y196 VanDerWaalsContact O-CZ 3.28Å; Y139-Y196 PolarHBondContact O-OH 3.09Å; Y139-L340 HydrophobicContact CD1-CB 3.96Å; Y139-L340 HydrophobicContact CE1-CB 3.97Å; Y139-T341 WeakPolarHBondContact CA-OG1 3.37Å; Y139-N344 HydrophobicContact CD1-CB 3.95Å; Y139-N344 HydrophobicContact CE1-CB 3.57Å
140L97.4Very high94.2Very high5 Ų546.8 Ų46.83%0.02624%0.236CC..  trans-98.2128.4172.9-57.3173.6000109.2L142 Y192 Y196 L334 Q337 R338 T341L140-L142 HydrophobicContact CB-CD1 4.26Å; L140-L142 HydrophobicContact CB-CD2 4.42Å; L140-L142 HydrophobicContact CB-CG 3.9Å; L140-L142 HydrophobicContact CD1-CD1 4.24Å; L140-L142 PolarHBondContact O-N 3.4Å; L140-Y192 HydrophobicContact CB-CE1 4.43Å; L140-Y192 HydrophobicContact CD2-CE1 4.39Å; L140-Y196 HydrophobicContact CD2-CD1 3.59Å; L140-Y196 HydrophobicContact CD2-CD2 4.2Å; L140-Y196 HydrophobicContact CD2-CE1 3.41Å; L140-Y196 VanDerWaalsContact CD2-CE1 3.41Å; L140-Y196 HydrophobicContact CD2-CE2 4.03Å; L140-Y196 HydrophobicContact CD2-CG 3.97Å; L140-L334 HydrophobicContact CD2-CD1 4.14Å; L140-Q337 HydrophobicContact CD2-CB 4.12Å; L140-Q337 HydrophobicContact CG-CB 4.02Å; L140-R338 HydrophobicContact CD1-CB 4.23Å; L140-T341 HydrophobicContact CB-CG2 4.39Å; L140-T341 PolarHBondContact N-OG1 3.48Å; L140-T341 VanDerWaalsContact O-CG2 3.22Å; L140-T341 WeakPolarHBondContact O-CG2 3.39Å
141D96.6Very high93.8Very high42 Ų4251.3 Ų51.323%0.22526%0.262CS..  trans-9183.2170.3-172.3-1.4000110.3T131 E133 E134 H143 Y192T131-D141 PolarHBondContact OG1-OD2 3.1Å; E133-D141 HydrophobicContact CB-CB 4.19Å; E134-D141 HydrophobicContact CG-CB 3.79Å; D141-H143 VanDerWaalsContact C-N 3.32Å; D141-H143 PolarHBondContact OD1-N 3.43Å; D141-Y192 PolarHBondContact N-OH 3.24Å
142L96.8Very high93.5Very high1 Ų149.5 Ų49.51%0.00525%0.25CC..  trans-93.116.6-179.9-60.6177.8000113L140 C145 Y146 Y160 Y163 L164 F167 L189 Y192L140-L142 HydrophobicContact CB-CD1 4.26Å; L140-L142 HydrophobicContact CB-CD2 4.42Å; L140-L142 HydrophobicContact CB-CG 3.9Å; L140-L142 HydrophobicContact CD1-CD1 4.24Å; L140-L142 PolarHBondContact O-N 3.4Å; L142-C145 HydrophobicContact CB-CB 4.46Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 3.09Å; L142-Y146 WeakPolarHBondContact O-CB 3.41Å; L142-Y146 PolarHBondContact O-N 3.03Å; L142-Y160 HydrophobicContact CB-CE2 4.39Å; L142-Y160 PolarHBondContact N-OH 3.11Å; L142-Y163 HydrophobicContact CB-CE1 4.11Å; L142-L164 HydrophobicContact CB-CD2 4.15Å; L142-L164 HydrophobicContact CD1-CD2 3.77Å; L142-L164 HydrophobicContact CG-CD2 4.43Å; L142-F167 HydrophobicContact CD1-CD1 4.27Å; L142-F167 HydrophobicContact CD1-CD2 4.29Å; L142-F167 HydrophobicContact CD1-CE1 3.98Å; L142-F167 HydrophobicContact CD1-CE2 3.99Å; L142-F167 HydrophobicContact CD1-CG 4.42Å; L142-F167 HydrophobicContact CD1-CZ 3.83Å; L142-L189 HydrophobicContact CD2-CD1 3.99Å; L142-Y192 HydrophobicContact CD2-CD1 3.53Å; L142-Y192 HydrophobicContact CD2-CE1 3.48Å; L142-Y192 VanDerWaalsContact CD2-CE1 3.48Å; L142-Y192 HydrophobicContact CG-CE1 4.43Å
143H94.4Very high92.4Very high85 Ų8549.9 Ų49.939%0.39424%0.244SC..Hα-helixtrans-64.2-44.9-174.5-168.674.8000112.3D141 C145 Y146 L147D141-H143 VanDerWaalsContact C-N 3.32Å; D141-H143 PolarHBondContact OD1-N 3.43Å; H143-C145 VanDerWaalsContact C-N 3.33Å; H143-C145 PolarHBondContact O-N 2.9Å; H143-Y146 WeakPolarHBondContact O-CB 3.21Å; H143-Y146 PolarHBondContact O-N 3.4Å; H143-Y146 VanDerWaalsContact O-N 3.17Å; H143-L147 WeakPolarHBondContact O-CG 3.44Å; H143-L147 PolarHBondContact O-N 2.96Å
144D94.8Very high90.9Very high116 Ų11648.6 Ų48.662%0.6225%0.249SC*.Hα-helixtrans-65-39.3177.5-77.9-14.6000111.8Y146 L147 K148 M188D144-Y146 VanDerWaalsContact C-N 3.32Å; D144-Y146 PolarHBondContact O-N 3.14Å; D144-L147 PolarHBondContact O-N 3.06Å; D144-K148 PolarHBondContact O-N 2.97Å; D144-M188 WeakPolarHBondContact O-CE 3.43Å
145C95.4Very high89.4Confident4 Ų450.3 Ų50.33%0.02726%0.261CS..Hα-helixtrans-59-44172.1-68.40000111.8L142 H143 K148 Y149 Y163 Y185 M188 L189L142-C145 HydrophobicContact CB-CB 4.46Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 3.09Å; H143-C145 VanDerWaalsContact C-N 3.33Å; H143-C145 PolarHBondContact O-N 2.9Å; C145-K148 PolarHBondContact O-N 3.28Å; C145-Y149 WeakPolarHBondContact O-CB 3.49Å; C145-Y149 PolarHBondContact O-N 2.92Å; C145-Y163 WeakPolarHBondContact CB-OH 3.45Å; C145-Y185 HydrophobicContact CB-CE2 4.35Å; C145-Y185 WeakPolarHBondContact O-CE2 3.44Å; C145-M188 HydrophobicContact CB-CE 4.17Å; C145-L189 HydrophobicContact CB-CD1 4.31Å
146Y94.9Very high88.2Confident36 Ų3657 Ų5714%0.14129%0.285CS..Hα-helixtrans-61.2-47.4174.4163.9-107.2000112.2L142 H143 D144 K148 Y149 I150 L158 Y160 Y163L142-Y146 WeakPolarHBondContact O-CB 3.41Å; L142-Y146 PolarHBondContact O-N 3.03Å; H143-Y146 WeakPolarHBondContact O-CB 3.21Å; H143-Y146 PolarHBondContact O-N 3.4Å; H143-Y146 VanDerWaalsContact O-N 3.17Å; D144-Y146 VanDerWaalsContact C-N 3.32Å; D144-Y146 PolarHBondContact O-N 3.14Å; Y146-K148 PolarHBondContact O-N 3.24Å; Y146-Y149 WeakPolarHBondContact O-CB 3.38Å; Y146-Y149 PolarHBondContact O-N 2.79Å; Y146-I150 HydrophobicContact CD2-CG2 3.86Å; Y146-I150 HydrophobicContact CE1-CD1 4.42Å; Y146-I150 HydrophobicContact CE1-CG2 4.47Å; Y146-I150 HydrophobicContact CE2-CG2 3.4Å; Y146-I150 VanDerWaalsContact CE2-CG2 3.4Å; Y146-I150 PolarHBondContact O-N 3.29Å; Y146-L158 WeakPolarHBondContact CE2-O 3.49Å; Y146-L158 PolarHBondContact OH-O 3.32Å; Y146-Y160 AromaticContact CD1-CD2 3.93Å; Y146-Y160 HydrophobicContact CD1-CD2 3.93Å; Y146-Y160 HydrophobicContact CD2-CD2 4.05Å; Y146-Y160 AromaticContact CG-CD2 3.61Å; Y146-Y160 HydrophobicContact CG-CD2 3.61Å; Y146-Y160 HydrophobicContact CG-CE2 4.32Å; Y146-Y163 HydrophobicContact CD2-CD1 4.08Å; Y146-Y163 HydrophobicContact CD2-CD2 4.22Å; Y146-Y163 AromaticContact CD2-CG 3.7Å; Y146-Y163 HydrophobicContact CD2-CG 3.7Å; Y146-Y163 HydrophobicContact CG-CD1 4.32Å; Y146-Y163 HydrophobicContact CG-CG 4.38Å
147L93.3Very high87.5Confident68 Ų6866.8 Ų66.836%0.35633%0.328SS..Hα-helixtrans-59.5-36.5177.2-69.1-179.7000111.8H143 D144 I150 N151H143-L147 WeakPolarHBondContact O-CG 3.44Å; H143-L147 PolarHBondContact O-N 2.96Å; D144-L147 PolarHBondContact O-N 3.06Å; L147-I150 HydrophobicContact CD2-CD1 4.05Å; L147-I150 WeakPolarHBondContact O-CG1 3.21Å; L147-N151 PolarHBondContact O-ND2 3.11Å
148K92.3Very high87.1Confident67 Ų6768.4 Ų68.429%0.29134%0.336SS..Hα-helixtrans-70.4-40.3174.1-170.869.2176.1-177.20112D144 C145 Y146 N151 Y185 M188D144-K148 PolarHBondContact O-N 2.97Å; C145-K148 PolarHBondContact O-N 3.28Å; Y146-K148 PolarHBondContact O-N 3.24Å; K148-N151 PolarHBondContact O-N 2.95Å; K148-Y185 HydrophobicContact CB-CD2 4.16Å; K148-Y185 HydrophobicContact CG-CD2 4.11Å; K148-M188 HydrophobicContact CB-CE 3.44Å; K148-M188 VanDerWaalsContact CB-CE 3.44Å; K148-M188 HydrophobicContact CB-SD 4.24Å; K148-M188 HydrophobicContact CG-CE 3.94Å; K148-M188 HydrophobicContact CG-SD 4.27Å
149Y92.1Very high86.9Confident32 Ų3268.9 Ų68.913%0.12534%0.344CS..Hα-helixtrans-62.9-46.7-180-175.4-95.1000112.5C145 Y146 N151 L152 L158 Y163 I173 Y185C145-Y149 WeakPolarHBondContact O-CB 3.49Å; C145-Y149 PolarHBondContact O-N 2.92Å; Y146-Y149 WeakPolarHBondContact O-CB 3.38Å; Y146-Y149 PolarHBondContact O-N 2.79Å; Y149-N151 PolarHBondContact O-N 3.15Å; Y149-N151 VanDerWaalsContact O-N 3.16Å; Y149-L152 HydrophobicContact CD2-CD1 3.83Å; Y149-L152 HydrophobicContact CE2-CD1 4.26Å; Y149-L152 HydrophobicContact CG-CD1 4.44Å; Y149-L152 VanDerWaalsContact O-CB 3.25Å; Y149-L152 WeakPolarHBondContact O-CB 3.17Å; Y149-L152 VanDerWaalsContact O-CG 3.32Å; Y149-L152 WeakPolarHBondContact O-CG 3.38Å; Y149-L152 PolarHBondContact O-N 2.91Å; Y149-L158 HydrophobicContact CD1-CD2 4.21Å; Y149-L158 HydrophobicContact CE1-CD2 3.77Å; Y149-Y163 AromaticContact CD1-CD2 3.74Å; Y149-Y163 HydrophobicContact CD1-CD2 3.74Å; Y149-Y163 HydrophobicContact CD1-CE2 4.01Å; Y149-Y163 HydrophobicContact CD2-CD2 4.47Å; Y149-Y163 AromaticContact CD2-CE2 3.98Å; Y149-Y163 HydrophobicContact CD2-CE2 3.98Å; Y149-Y163 HydrophobicContact CE1-CD2 4.29Å; Y149-Y163 AromaticContact CG-CD2 3.84Å; Y149-Y163 HydrophobicContact CG-CD2 3.84Å; Y149-Y163 AromaticContact CG-CE2 3.59Å; Y149-Y163 HydrophobicContact CG-CE2 3.59Å; Y149-I173 HydrophobicContact CE2-CD1 4.35Å; Y149-Y185 HydrophobicContact CD2-CD1 4.34Å; Y149-Y185 AromaticContact CD2-CE1 3.77Å; Y149-Y185 HydrophobicContact CD2-CE1 3.77Å; Y149-Y185 HydrophobicContact CD2-CE2 4.09Å; Y149-Y185 AromaticContact CD2-CZ 3.62Å; Y149-Y185 HydrophobicContact CE2-CE1 4.4Å; Y149-Y185 HydrophobicContact CG-CE2 4.43Å
150I90.8Very high86.7Confident60 Ų6070.4 Ų70.431%0.30835%0.35SS..Hα-helixtrans-64.3-20.7179.463174.7000113.3Y146 L147 L152 S155Y146-I150 HydrophobicContact CD2-CG2 3.86Å; Y146-I150 HydrophobicContact CE1-CD1 4.42Å; Y146-I150 HydrophobicContact CE1-CG2 4.47Å; Y146-I150 HydrophobicContact CE2-CG2 3.4Å; Y146-I150 VanDerWaalsContact CE2-CG2 3.4Å; Y146-I150 PolarHBondContact O-N 3.29Å; L147-I150 HydrophobicContact CD2-CD1 4.05Å; L147-I150 WeakPolarHBondContact O-CG1 3.21Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-S155 PolarHBondContact O-OG 2.94Å
151N86.9Confident86.5Confident126 Ų12671.4 Ų71.467%0.67436%0.355SS*.THydrogen-bonded Turntrans-86.2-5.1176.8-77.4-48.8000113L147 K148 Y149 K153L147-N151 PolarHBondContact O-ND2 3.11Å; K148-N151 PolarHBondContact O-N 2.95Å; Y149-N151 PolarHBondContact O-N 3.15Å; Y149-N151 VanDerWaalsContact O-N 3.16Å; N151-K153 PolarHBondContact O-N 2.86Å
152L86.6Confident86.3Confident21 Ų2172.1 Ų72.111%0.1136%0.361CS..SBendtrans-66.7133.2173-62.9176.1000109.7Y149 I150 A154 S155 E181 Y182 Y185Y149-L152 HydrophobicContact CD2-CD1 3.83Å; Y149-L152 HydrophobicContact CE2-CD1 4.26Å; Y149-L152 HydrophobicContact CG-CD1 4.44Å; Y149-L152 VanDerWaalsContact O-CB 3.25Å; Y149-L152 WeakPolarHBondContact O-CB 3.17Å; Y149-L152 VanDerWaalsContact O-CG 3.32Å; Y149-L152 WeakPolarHBondContact O-CG 3.38Å; Y149-L152 PolarHBondContact O-N 2.91Å; I150-L152 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.43Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.18Å; L152-S155 VanDerWaalsContact O-OG 3.13Å; L152-E181 HydrophobicContact CD2-CB 3.91Å; L152-Y182 HydrophobicContact CD1-CD2 4.04Å; L152-Y185 HydrophobicContact CD1-CD1 4.12Å; L152-Y185 HydrophobicContact CD1-CG 4.17Å
153K65.7Low86.3Confident170 Ų17072.1 Ų72.174%0.73936%0.361SS*.THydrogen-bonded Turntrans-58127.3-178.7-68.2-175.6179.5179.70110.2N151N151-K153 PolarHBondContact O-N 2.86Å
154A61.7Low86.3Confident67 Ų6768.5 Ų68.555%0.55435%0.345SS*.THydrogen-bonded Turntrans77.918.5176.100000117.4L152 R177L152-A154 PolarHBondContact O-N 3.43Å; A154-R177 PolarHBondContact O-NH1 3.27Å; A154-R177 PolarHBondContact O-NH2 3.45Å; A154-R177 VanDerWaalsContact O-NH2 3.15Å
155S63.4Low86.2Confident36 Ų3665.4 Ų65.425%0.25233%0.332SS..  trans-74.1137.8162.3520000110.8I150 L152I150-S155 PolarHBondContact O-OG 2.94Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.18Å; L152-S155 VanDerWaalsContact O-OG 3.13Å
156E68Low86.1Confident168 Ų16867.5 Ų67.579%0.78534%0.343SS*.  trans-64.2161.3167.4-66.6-179.4171.600109.6L158E156-L158 PolarHBondContact O-N 2.91Å
157K78.6Confident86.1Confident222 Ų22265.9 Ų65.997%0.96534%0.336SS*.  trans-63.4103.7171.8-71.8-173.2178-175.10108
158L86.7Confident86.1Confident34 Ų3463.8 Ų63.818%0.17833%0.326CS..  trans-104.5135.3178.7-163.276.5000108Y146 Y149 E156 T162 Y163 I166Y146-L158 WeakPolarHBondContact CE2-O 3.49Å; Y146-L158 PolarHBondContact OH-O 3.32Å; Y149-L158 HydrophobicContact CD1-CD2 4.21Å; Y149-L158 HydrophobicContact CE1-CD2 3.77Å; E156-L158 PolarHBondContact O-N 2.91Å; L158-T162 HydrophobicContact CD1-CG2 3.41Å; L158-T162 VanDerWaalsContact CD1-CG2 3.41Å; L158-T162 HydrophobicContact CG-CG2 4.24Å; L158-Y163 HydrophobicContact CD2-CD2 4.31Å; L158-I166 HydrophobicContact CD1-CD1 3.97Å; L158-I166 HydrophobicContact CD2-CD1 3.7Å; L158-I166 HydrophobicContact CD2-CG1 4.22Å
159D91.3Very high86.1Confident79 Ų7964.1 Ų64.142%0.42233%0.328SS..  trans-83.6167.7169.364.69.3000111I161 T162 Y163D159-I161 PolarHBondContact O-N 3.35Å; D159-I161 WeakPolarHBondContact OD1-CG2 3.26Å; D159-T162 PolarHBondContact O-N 2.99Å; D159-T162 WeakPolarHBondContact OD1-CB 3.37Å; D159-T162 PolarHBondContact OD1-N 3.16Å; D159-T162 PolarHBondContact OD1-OG1 3.44Å; D159-Y163 PolarHBondContact O-N 3.01Å
160Y93.8Very high86.1Confident40 Ų4062.6 Ų62.616%0.15732%0.322CS..Hα-helixtrans-64.9-37.9-174.8-177.2-127.1000112.8L142 Y146 Y163 L164 V345L142-Y160 HydrophobicContact CB-CE2 4.39Å; L142-Y160 PolarHBondContact N-OH 3.11Å; Y146-Y160 AromaticContact CD1-CD2 3.93Å; Y146-Y160 HydrophobicContact CD1-CD2 3.93Å; Y146-Y160 HydrophobicContact CD2-CD2 4.05Å; Y146-Y160 AromaticContact CG-CD2 3.61Å; Y146-Y160 HydrophobicContact CG-CD2 3.61Å; Y146-Y160 HydrophobicContact CG-CE2 4.32Å; Y160-Y163 HydrophobicContact CD2-CD1 4.11Å; Y160-Y163 HydrophobicContact CE2-CD1 4.09Å; Y160-Y163 WeakPolarHBondContact O-CB 3.29Å; Y160-Y163 PolarHBondContact O-N 3.12Å; Y160-L164 HydrophobicContact CD1-CD1 4.18Å; Y160-L164 HydrophobicContact CD2-CG 4.46Å; Y160-L164 HydrophobicContact CE1-CD1 3.79Å; Y160-L164 HydrophobicContact CE1-CG 4.27Å; Y160-L164 HydrophobicContact CE2-CD2 4.02Å; Y160-L164 HydrophobicContact CE2-CG 4.12Å; Y160-L164 WeakPolarHBondContact O-CG 3.44Å; Y160-L164 PolarHBondContact O-N 3.29Å; Y160-V345 HydrophobicContact CD1-CG1 3.98Å; Y160-V345 HydrophobicContact CD1-CG2 4.27Å; Y160-V345 HydrophobicContact CE1-CG1 4.37Å; Y160-V345 HydrophobicContact CE1-CG2 3.82Å
161I93.2Very high86.1Confident25 Ų2564 Ų6413%0.12833%0.326CS..Hα-helixtrans-67.3-39.4179.5-169.7168.7000111.9D159 Y163 L164 S165 V345 Q346D159-I161 PolarHBondContact O-N 3.35Å; D159-I161 WeakPolarHBondContact OD1-CG2 3.26Å; I161-Y163 VanDerWaalsContact C-N 3.32Å; I161-L164 PolarHBondContact O-N 3.3Å; I161-S165 PolarHBondContact O-N 2.9Å; I161-S165 PolarHBondContact O-OG 3.28Å; I161-V345 HydrophobicContact CB-CG1 4.38Å; I161-Q346 HydrophobicContact CD1-CB 3.79Å; I161-Q346 HydrophobicContact CD1-CG 4.02Å
162T92.7Very high86.2Confident58 Ų5863.1 Ų63.136%0.35632%0.321SS..Hα-helixtrans-67.8-36.8174-50.10000110.5L158 D159 S165 I166L158-T162 HydrophobicContact CD1-CG2 3.41Å; L158-T162 VanDerWaalsContact CD1-CG2 3.41Å; L158-T162 HydrophobicContact CG-CG2 4.24Å; D159-T162 PolarHBondContact O-N 2.99Å; D159-T162 WeakPolarHBondContact OD1-CB 3.37Å; D159-T162 PolarHBondContact OD1-N 3.16Å; D159-T162 PolarHBondContact OD1-OG1 3.44Å; T162-S165 WeakPolarHBondContact O-CB 3.35Å; T162-S165 PolarHBondContact O-N 2.7Å; T162-S165 VanDerWaalsContact O-N 3.12Å; T162-I166 WeakPolarHBondContact O-CG1 3.39Å; T162-I166 PolarHBondContact O-N 3.45Å
163Y94.8Very high86.3Confident0 Ų063.1 Ų63.10%032%0.321CS..Hα-helixtrans-57.4-48.4172.1173.1-99.9000112.5L142 C145 Y146 Y149 L158 D159 Y160 I161 S165 I166 F167 Y185L142-Y163 HydrophobicContact CB-CE1 4.11Å; C145-Y163 WeakPolarHBondContact CB-OH 3.45Å; Y146-Y163 HydrophobicContact CD2-CD1 4.08Å; Y146-Y163 HydrophobicContact CD2-CD2 4.22Å; Y146-Y163 AromaticContact CD2-CG 3.7Å; Y146-Y163 HydrophobicContact CD2-CG 3.7Å; Y146-Y163 HydrophobicContact CG-CD1 4.32Å; Y146-Y163 HydrophobicContact CG-CG 4.38Å; Y149-Y163 AromaticContact CD1-CD2 3.74Å; Y149-Y163 HydrophobicContact CD1-CD2 3.74Å; Y149-Y163 HydrophobicContact CD1-CE2 4.01Å; Y149-Y163 HydrophobicContact CD2-CD2 4.47Å; Y149-Y163 AromaticContact CD2-CE2 3.98Å; Y149-Y163 HydrophobicContact CD2-CE2 3.98Å; Y149-Y163 HydrophobicContact CE1-CD2 4.29Å; Y149-Y163 AromaticContact CG-CD2 3.84Å; Y149-Y163 HydrophobicContact CG-CD2 3.84Å; Y149-Y163 AromaticContact CG-CE2 3.59Å; Y149-Y163 HydrophobicContact CG-CE2 3.59Å; L158-Y163 HydrophobicContact CD2-CD2 4.31Å; D159-Y163 PolarHBondContact O-N 3.01Å; Y160-Y163 HydrophobicContact CD2-CD1 4.11Å; Y160-Y163 HydrophobicContact CE2-CD1 4.09Å; Y160-Y163 WeakPolarHBondContact O-CB 3.29Å; Y160-Y163 PolarHBondContact O-N 3.12Å; I161-Y163 VanDerWaalsContact C-N 3.32Å; Y163-S165 PolarHBondContact O-N 2.91Å; Y163-S165 VanDerWaalsContact O-N 3.1Å; Y163-I166 PolarHBondContact O-N 3.02Å; Y163-F167 HydrophobicContact CD1-CB 4.42Å; Y163-F167 HydrophobicContact CD2-CB 4.13Å; Y163-F167 HydrophobicContact CE1-CB 3.95Å; Y163-F167 HydrophobicContact CE1-CG 4.49Å; Y163-F167 HydrophobicContact CE2-CB 3.62Å; Y163-F167 HydrophobicContact CG-CB 4.5Å; Y163-F167 WeakPolarHBondContact O-CB 3.41Å; Y163-F167 PolarHBondContact O-N 2.97Å; Y163-Y185 HydrophobicContact CE2-CE2 4.45Å; Y163-Y185 WeakPolarHBondContact CE2-OH 3.48Å; Y163-Y185 PolarHBondContact OH-OH 3.38Å
164L95.2Very high87.2Confident9 Ų957.8 Ų57.85%0.04730%0.304CS..Hα-helixtrans-58.8-24.2176.7-69.6178.1000113.3L142 Y160 I161 F167 T341 V345L142-L164 HydrophobicContact CB-CD2 4.15Å; L142-L164 HydrophobicContact CD1-CD2 3.77Å; L142-L164 HydrophobicContact CG-CD2 4.43Å; Y160-L164 HydrophobicContact CD1-CD1 4.18Å; Y160-L164 HydrophobicContact CD2-CG 4.46Å; Y160-L164 HydrophobicContact CE1-CD1 3.79Å; Y160-L164 HydrophobicContact CE1-CG 4.27Å; Y160-L164 HydrophobicContact CE2-CD2 4.02Å; Y160-L164 HydrophobicContact CE2-CG 4.12Å; Y160-L164 WeakPolarHBondContact O-CG 3.44Å; Y160-L164 PolarHBondContact O-N 3.29Å; I161-L164 PolarHBondContact O-N 3.3Å; L164-F167 WeakPolarHBondContact O-CD1 3.41Å; L164-F167 WeakPolarHBondContact O-CE1 3.42Å; L164-T341 HydrophobicContact CD1-CG2 4.08Å; L164-T341 HydrophobicContact CD2-CG2 4.28Å; L164-V345 HydrophobicContact CD1-CB 4.07Å; L164-V345 HydrophobicContact CD1-CG1 4.3Å; L164-V345 HydrophobicContact CD1-CG2 3.79Å
165S93.6Very high88.4Confident51 Ų5158.6 Ų58.636%0.35730%0.295SS..Hα-helixtrans-82.7-19.7176.5-62.30000114.4I161 T162 Y163 Q169 H342I161-S165 PolarHBondContact O-N 2.9Å; I161-S165 PolarHBondContact O-OG 3.28Å; T162-S165 WeakPolarHBondContact O-CB 3.35Å; T162-S165 PolarHBondContact O-N 2.7Å; T162-S165 VanDerWaalsContact O-N 3.12Å; Y163-S165 PolarHBondContact O-N 2.91Å; Y163-S165 VanDerWaalsContact O-N 3.1Å; S165-Q169 PolarHBondContact O-NE2 3.5Å; S165-Q169 VanDerWaalsContact O-NE2 3.1Å; S165-H342 PolarHBondContact OG-CD2 2.72Å; S165-H342 PolarHBondContact OG-NE2 3.21Å; S165-H342 VanDerWaalsContact OG-NE2 3.15Å
166I93.2Very high89.3Confident49 Ų4964.5 Ų64.525%0.25132%0.319SS..Hα-helixtrans-129.7-5.4-169.274.5175.4000114.9L158 T162 Y163 D168 Q169L158-I166 HydrophobicContact CD1-CD1 3.97Å; L158-I166 HydrophobicContact CD2-CD1 3.7Å; L158-I166 HydrophobicContact CD2-CG1 4.22Å; T162-I166 WeakPolarHBondContact O-CG1 3.39Å; T162-I166 PolarHBondContact O-N 3.45Å; Y163-I166 PolarHBondContact O-N 3.02Å; I166-D168 PolarHBondContact O-N 2.86Å; I166-D168 VanDerWaalsContact O-N 3.14Å; I166-Q169 WeakPolarHBondContact O-CB 3.41Å; I166-Q169 PolarHBondContact O-N 3.49Å
167F94.1Very high90.2Very high1 Ų161.9 Ų61.90%0.00430%0.302CS..THydrogen-bonded Turntrans-61.1-25.7-174.977.9-83.1000113L142 Y163 L164 L170 L189 V331 R338L142-F167 HydrophobicContact CD1-CD1 4.27Å; L142-F167 HydrophobicContact CD1-CD2 4.29Å; L142-F167 HydrophobicContact CD1-CE1 3.98Å; L142-F167 HydrophobicContact CD1-CE2 3.99Å; L142-F167 HydrophobicContact CD1-CG 4.42Å; L142-F167 HydrophobicContact CD1-CZ 3.83Å; Y163-F167 HydrophobicContact CD1-CB 4.42Å; Y163-F167 HydrophobicContact CD2-CB 4.13Å; Y163-F167 HydrophobicContact CE1-CB 3.95Å; Y163-F167 HydrophobicContact CE1-CG 4.49Å; Y163-F167 HydrophobicContact CE2-CB 3.62Å; Y163-F167 HydrophobicContact CG-CB 4.5Å; Y163-F167 WeakPolarHBondContact O-CB 3.41Å; Y163-F167 PolarHBondContact O-N 2.97Å; L164-F167 WeakPolarHBondContact O-CD1 3.41Å; L164-F167 WeakPolarHBondContact O-CE1 3.42Å; F167-L170 VanDerWaalsContact O-CD2 3.24Å; F167-L170 WeakPolarHBondContact O-CD2 3.44Å; F167-L189 HydrophobicContact CD2-CD1 4.3Å; F167-L189 HydrophobicContact CD2-CD2 4.08Å; F167-V331 HydrophobicContact CE2-CG2 3.68Å; F167-V331 HydrophobicContact CZ-CG1 4.49Å; F167-V331 HydrophobicContact CZ-CG2 4.07Å; F167-R338 HydrophobicContact CE1-CG 3.87Å; F167-R338 HydrophobicContact CZ-CG 4.01Å
168D92.6Very high90.7Very high25 Ų2551.6 Ų51.613%0.13426%0.257CS..THydrogen-bonded Turntrans-91.3-4.9175.764.4-13.1000113.4I166 L170 Y328 V331 R338I166-D168 PolarHBondContact O-N 2.86Å; I166-D168 VanDerWaalsContact O-N 3.14Å; D168-L170 PolarHBondContact O-N 3.42Å; D168-Y328 WeakPolarHBondContact O-CE1 3.22Å; D168-V331 HydrophobicContact CB-CB 4.36Å; D168-V331 HydrophobicContact CB-CG1 3.76Å; D168-V331 HydrophobicContact CB-CG2 4.09Å; D168-R338 IonicContact OD2-CZ 2.9Å; D168-R338 IonicContact OD2-NE 2.73Å; D168-R338 IonicContact OD2-NH1 2.7Å; D168-R338 PolarHBondContact OD2-NH1 3Å
169Q92.5Very high90.8Very high73 Ų7352.5 Ų52.534%0.34126%0.262SS..  trans-8646176.8-59179.713.100111.6S165 I166 F171 D172S165-Q169 PolarHBondContact O-NE2 3.5Å; S165-Q169 VanDerWaalsContact O-NE2 3.1Å; I166-Q169 WeakPolarHBondContact O-CB 3.41Å; I166-Q169 PolarHBondContact O-N 3.49Å; Q169-F171 HydrophobicContact CB-CE1 4.16Å; Q169-F171 HydrophobicContact CB-CE2 4.46Å; Q169-F171 HydrophobicContact CB-CZ 3.95Å; Q169-F171 HydrophobicContact CG-CE1 4.33Å; Q169-F171 HydrophobicContact CG-CZ 4.02Å; Q169-F171 PolarHBondContact O-N 3.16Å; Q169-D172 PolarHBondContact O-N 3.49Å; Q169-D172 VanDerWaalsContact O-N 3.08Å
170L92.9Very high90.9Very high1 Ų151.6 Ų51.61%0.00527%0.265CS..G310 helixtrans-63.3-16.3-175.7-55173000113.3F167 D168 D172 I173 K178 Y182 L186 E324 I327 Y328F167-L170 VanDerWaalsContact O-CD2 3.24Å; F167-L170 WeakPolarHBondContact O-CD2 3.44Å; D168-L170 PolarHBondContact O-N 3.42Å; L170-D172 VanDerWaalsContact C-N 3.3Å; L170-I173 HydrophobicContact CD2-CD1 4.03Å; L170-I173 PolarHBondContact O-N 3.48Å; L170-K178 PolarHBondContact O-NZ 3.25Å; L170-Y182 HydrophobicContact CD2-CE2 4.49Å; L170-L186 HydrophobicContact CD1-CD2 3.81Å; L170-L186 HydrophobicContact CD2-CD2 3.91Å; L170-L186 HydrophobicContact CG-CD2 4.49Å; L170-E324 HydrophobicContact CB-CG 4.13Å; L170-E324 HydrophobicContact CD1-CB 4.13Å; L170-E324 HydrophobicContact CD1-CG 3.92Å; L170-I327 HydrophobicContact CD1-CB 4.14Å; L170-I327 HydrophobicContact CD1-CD1 3.97Å; L170-I327 HydrophobicContact CD1-CG2 3.92Å; L170-Y328 HydrophobicContact CB-CE1 3.91Å; L170-Y328 WeakPolarHBondContact CB-OH 3.12Å; L170-Y328 HydrophobicContact CD1-CE1 4.07Å; L170-Y328 HydrophobicContact CG-CE1 4.13Å
171F91.2Very high90.8Very high90 Ų9053.5 Ų53.540%0.39528%0.275SS..G310 helixtrans-72.5-21.8177.654.2-99.1000113.1Q169 P227 Y328Q169-F171 HydrophobicContact CB-CE1 4.16Å; Q169-F171 HydrophobicContact CB-CE2 4.46Å; Q169-F171 HydrophobicContact CB-CZ 3.95Å; Q169-F171 HydrophobicContact CG-CE1 4.33Å; Q169-F171 HydrophobicContact CG-CZ 4.02Å; Q169-F171 PolarHBondContact O-N 3.16Å; F171-P227 HydrophobicContact CB-CB 3.76Å; F171-P227 HydrophobicContact CG-CB 4.46Å; F171-Y328 PolarHBondContact N-OH 2.96Å; F171-Y328 VanDerWaalsContact N-OH 3.13Å
172D88.9Confident90.8Very high106 Ų10652.4 Ų52.457%0.56727%0.27SS*.G310 helixtrans-84.4-11.4178.1-74.2-25.3000112.9Q169 L170 P174Q169-D172 PolarHBondContact O-N 3.49Å; Q169-D172 VanDerWaalsContact O-N 3.08Å; L170-D172 VanDerWaalsContact C-N 3.3Å; D172-P174 VanDerWaalsContact O-CD 3.31Å; D172-P174 WeakPolarHBondContact O-CD 3.39Å
173I87.6Confident90.9Very high22 Ų2252.4 Ų52.411%0.11327%0.265CS..SBendtrans-75.6119.3179.4-59.9177.7000109.6Y149 L170 R177 K178 Y182Y149-I173 HydrophobicContact CE2-CD1 4.35Å; L170-I173 HydrophobicContact CD2-CD1 4.03Å; L170-I173 PolarHBondContact O-N 3.48Å; I173-R177 HydrophobicContact CG2-CB 3.98Å; I173-K178 HydrophobicContact CG2-CG 4.23Å; I173-K178 WeakPolarHBondContact O-CE 3.47Å; I173-Y182 HydrophobicContact CD1-CD2 4.48Å; I173-Y182 HydrophobicContact CD1-CE2 3.51Å; I173-Y182 HydrophobicContact CG2-CE2 4.36Å
174P85.9Confident91Very high58 Ų5858 Ų5838%0.37729%0.286SS..  trans-59.4143.5-179.4-24.433.9000113D172 E176 R177D172-P174 VanDerWaalsContact O-CD 3.31Å; D172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-E176 WeakPolarHBondContact CB-OE2 3.48Å; P174-E176 PolarHBondContact O-N 3.36Å; P174-R177 WeakPolarHBondContact O-CB 3.39Å; P174-R177 PolarHBondContact O-N 2.89Å
175K85.4Confident91Very high83 Ų8357.6 Ų57.636%0.36128%0.284SS..G310 helixtrans-53.7-32.5-178.9-176177.9175.3179.90112.7R177 K178 W229 E232K175-R177 PolarHBondContact O-N 3.34Å; K175-K178 PolarHBondContact O-N 3.5Å; K175-W229 HydrophobicContact CD-CZ3 4.36Å; K175-W229 HydrophobicContact CG-CZ3 4.12Å; K175-E232 IonicContact NZ-OE1 3.61Å; K175-E232 PolarHBondContact NZ-OE1 3.37Å
176E83.5Confident91.1Very high160 Ų16055.1 Ų55.175%0.74827%0.267SS*.G310 helixtrans-66.8-24.9178.7-58.671.8-154.500112.9P174P174-E176 WeakPolarHBondContact CB-OE2 3.48Å; P174-E176 PolarHBondContact O-N 3.36Å
177R86.1Confident91.3Very high113 Ų11356.7 Ų56.743%0.42627%0.273SS..G310 helixtrans-87.1-17177.4-62-169.1-176.9-175.7-4.7112.9A154 I173 P174 K175 N179A154-R177 PolarHBondContact O-NH1 3.27Å; A154-R177 PolarHBondContact O-NH2 3.45Å; A154-R177 VanDerWaalsContact O-NH2 3.15Å; I173-R177 HydrophobicContact CG2-CB 3.98Å; P174-R177 WeakPolarHBondContact O-CB 3.39Å; P174-R177 PolarHBondContact O-N 2.89Å; K175-R177 PolarHBondContact O-N 3.34Å; R177-N179 PolarHBondContact O-N 3.3Å; R177-N179 PolarHBondContact O-ND2 3.12Å
178K89.6Confident91.5Very high7 Ų759.5 Ų59.53%0.0329%0.287CS..  trans-75.660.6179.7-57.9-167.4176.8-169.60112.5L170 I173 K175 Y182 W229 I320 E324L170-K178 PolarHBondContact O-NZ 3.25Å; I173-K178 HydrophobicContact CG2-CG 4.23Å; I173-K178 WeakPolarHBondContact O-CE 3.47Å; K175-K178 PolarHBondContact O-N 3.5Å; K178-Y182 HydrophobicContact CB-CD1 3.73Å; K178-Y182 HydrophobicContact CB-CE1 3.97Å; K178-Y182 HydrophobicContact CD-CE1 3.91Å; K178-Y182 HydrophobicContact CG-CD1 3.84Å; K178-Y182 HydrophobicContact CG-CE1 3.61Å; K178-W229 HydrophobicContact CB-CH2 4.47Å; K178-W229 HydrophobicContact CD-CH2 3.89Å; K178-W229 HydrophobicContact CD-CZ2 3.42Å; K178-W229 VanDerWaalsContact CD-CZ2 3.42Å; K178-I320 HydrophobicContact CB-CG2 4.48Å; K178-I320 HydrophobicContact CD-CG2 4.4Å; K178-I320 WeakPolarHBondContact O-CD1 3.35Å; K178-E324 WeakPolarHBondContact CD-OE1 3.47Å; K178-E324 WeakPolarHBondContact CE-OE1 3.33Å; K178-E324 IonicContact NZ-OE1 2.81Å; K178-E324 PolarHBondContact NZ-OE1 3.28Å; K178-E324 IonicContact NZ-OE2 3.55Å; K178-E324 PolarHBondContact NZ-OE2 3.01Å
179N89.8Confident91.8Very high53 Ų5358.3 Ų58.328%0.28328%0.281SS..SBendtrans-93.6-170-178.566.143.3000112.2R177 E181 Y182 K183R177-N179 PolarHBondContact O-N 3.3Å; R177-N179 PolarHBondContact O-ND2 3.12Å; N179-E181 VanDerWaalsContact C-N 3.35Å; N179-E181 PolarHBondContact O-N 3.35Å; N179-E181 WeakPolarHBondContact OD1-CB 3.45Å; N179-E181 PolarHBondContact OD1-N 2.88Å; N179-Y182 WeakPolarHBondContact O-CB 3.31Å; N179-Y182 PolarHBondContact O-N 3.4Å; N179-Y182 PolarHBondContact OD1-N 3.1Å; N179-K183 PolarHBondContact O-N 3.2Å
180A92.3Very high92Very high59 Ų5955.2 Ų55.249%0.48827%0.266SS..Hα-helixtrans-64.3-33.4-179.600000114K183 R184A180-K183 PolarHBondContact O-N 3.16Å; A180-R184 WeakPolarHBondContact O-CG 3.33Å; A180-R184 PolarHBondContact O-N 3.37Å; A180-R184 VanDerWaalsContact O-N 3.12Å
181E92.2Very high92.2Very high80 Ų8061.7 Ų61.737%0.37430%0.297SS..Hα-helixtrans-69.5-38.9175.6-61.9-56.3152.500111.4L152 N179 R184 Y185L152-E181 HydrophobicContact CD2-CB 3.91Å; N179-E181 VanDerWaalsContact C-N 3.35Å; N179-E181 PolarHBondContact O-N 3.35Å; N179-E181 WeakPolarHBondContact OD1-CB 3.45Å; N179-E181 PolarHBondContact OD1-N 2.88Å; E181-R184 PolarHBondContact O-N 3.29Å; E181-R184 IonicContact OE1-CZ 3.66Å; E181-R184 IonicContact OE1-NH1 2.79Å; E181-R184 PolarHBondContact OE1-NH1 3.45Å; E181-R184 IonicContact OE2-NH1 3.32Å; E181-R184 PolarHBondContact OE2-NH1 2.99Å; E181-Y185 PolarHBondContact O-N 2.97Å
182Y93.6Very high92.6Very high3 Ų359.3 Ų59.31%0.01229%0.285CS..Hα-helixtrans-61.6-44.4173176.2-108.3000111.4L152 L170 I173 K178 N179 R184 Y185 L186 I320 E324L152-Y182 HydrophobicContact CD1-CD2 4.04Å; L170-Y182 HydrophobicContact CD2-CE2 4.49Å; I173-Y182 HydrophobicContact CD1-CD2 4.48Å; I173-Y182 HydrophobicContact CD1-CE2 3.51Å; I173-Y182 HydrophobicContact CG2-CE2 4.36Å; K178-Y182 HydrophobicContact CB-CD1 3.73Å; K178-Y182 HydrophobicContact CB-CE1 3.97Å; K178-Y182 HydrophobicContact CD-CE1 3.91Å; K178-Y182 HydrophobicContact CG-CD1 3.84Å; K178-Y182 HydrophobicContact CG-CE1 3.61Å; N179-Y182 WeakPolarHBondContact O-CB 3.31Å; N179-Y182 PolarHBondContact O-N 3.4Å; N179-Y182 PolarHBondContact OD1-N 3.1Å; Y182-R184 VanDerWaalsContact C-N 3.3Å; Y182-R184 PolarHBondContact O-N 3.27Å; Y182-Y185 HydrophobicContact CD2-CD1 4.16Å; Y182-Y185 HydrophobicContact CE2-CD1 4.19Å; Y182-Y185 WeakPolarHBondContact O-CB 3.36Å; Y182-Y185 PolarHBondContact O-N 3Å; Y182-Y185 VanDerWaalsContact O-N 3.11Å; Y182-L186 HydrophobicContact CD1-CD1 4.05Å; Y182-L186 HydrophobicContact CD1-CG 4.29Å; Y182-L186 HydrophobicContact CE1-CD1 3.46Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.46Å; Y182-L186 HydrophobicContact CE1-CD2 4.3Å; Y182-L186 HydrophobicContact CE1-CG 3.92Å; Y182-L186 HydrophobicContact CE2-CD2 3.95Å; Y182-L186 HydrophobicContact CE2-CG 4.19Å; Y182-L186 WeakPolarHBondContact O-CG 3.45Å; Y182-L186 PolarHBondContact O-N 2.94Å; Y182-I320 HydrophobicContact CD1-CG2 4.05Å; Y182-I320 HydrophobicContact CE1-CG2 3.76Å; Y182-E324 WeakPolarHBondContact CE1-OE1 3.22Å; Y182-E324 PolarHBondContact OH-OE1 3.25Å
183K94.7Very high93Very high58 Ų5854.2 Ų54.225%0.25226%0.258SS..Hα-helixtrans-56.1-45174.9-171.2-178.9-179.5-170.50111.8N179 A180 Y185 L186 E187 I320 L323N179-K183 PolarHBondContact O-N 3.2Å; A180-K183 PolarHBondContact O-N 3.16Å; K183-Y185 VanDerWaalsContact C-N 3.33Å; K183-Y185 PolarHBondContact O-N 3.24Å; K183-L186 WeakPolarHBondContact O-CB 3.24Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-E187 WeakPolarHBondContact CE-OE1 3.44Å; K183-E187 IonicContact NZ-OE1 3.97Å; K183-E187 WeakPolarHBondContact O-CG 3.48Å; K183-E187 PolarHBondContact O-N 2.88Å; K183-I320 HydrophobicContact CB-CG1 4.31Å; K183-I320 HydrophobicContact CD-CG1 4.31Å; K183-I320 HydrophobicContact CG-CG1 4.24Å; K183-L323 HydrophobicContact CG-CD1 3.83Å
184R95.4Very high93.4Very high117 Ų11756 Ų5644%0.44227%0.266SS..Hα-helixtrans-64-36.1176.9-69-176.7-164109.6-2.3113.2A180 E181 Y182 M188A180-R184 WeakPolarHBondContact O-CG 3.33Å; A180-R184 PolarHBondContact O-N 3.37Å; A180-R184 VanDerWaalsContact O-N 3.12Å; E181-R184 PolarHBondContact O-N 3.29Å; E181-R184 IonicContact OE1-CZ 3.66Å; E181-R184 IonicContact OE1-NH1 2.79Å; E181-R184 PolarHBondContact OE1-NH1 3.45Å; E181-R184 IonicContact OE2-NH1 3.32Å; E181-R184 PolarHBondContact OE2-NH1 2.99Å; Y182-R184 VanDerWaalsContact C-N 3.3Å; Y182-R184 PolarHBondContact O-N 3.27Å; R184-M188 WeakPolarHBondContact O-CB 3.33Å; R184-M188 PolarHBondContact O-N 3.45Å; R184-M188 VanDerWaalsContact O-N 3.08Å
185Y95.6Very high93.9Very high0 Ų057 Ų570%027%0.268CS..Hα-helixtrans-62.4-45.7172.3160.9-103.5000111.1C145 K148 Y149 L152 Y163 E181 Y182 K183 M188 L189C145-Y185 HydrophobicContact CB-CE2 4.35Å; C145-Y185 WeakPolarHBondContact O-CE2 3.44Å; K148-Y185 HydrophobicContact CB-CD2 4.16Å; K148-Y185 HydrophobicContact CG-CD2 4.11Å; Y149-Y185 HydrophobicContact CD2-CD1 4.34Å; Y149-Y185 AromaticContact CD2-CE1 3.77Å; Y149-Y185 HydrophobicContact CD2-CE1 3.77Å; Y149-Y185 HydrophobicContact CD2-CE2 4.09Å; Y149-Y185 AromaticContact CD2-CZ 3.62Å; Y149-Y185 HydrophobicContact CE2-CE1 4.4Å; Y149-Y185 HydrophobicContact CG-CE2 4.43Å; L152-Y185 HydrophobicContact CD1-CD1 4.12Å; L152-Y185 HydrophobicContact CD1-CG 4.17Å; Y163-Y185 HydrophobicContact CE2-CE2 4.45Å; Y163-Y185 WeakPolarHBondContact CE2-OH 3.48Å; Y163-Y185 PolarHBondContact OH-OH 3.38Å; E181-Y185 PolarHBondContact O-N 2.97Å; Y182-Y185 HydrophobicContact CD2-CD1 4.16Å; Y182-Y185 HydrophobicContact CE2-CD1 4.19Å; Y182-Y185 WeakPolarHBondContact O-CB 3.36Å; Y182-Y185 PolarHBondContact O-N 3Å; Y182-Y185 VanDerWaalsContact O-N 3.11Å; K183-Y185 VanDerWaalsContact C-N 3.33Å; K183-Y185 PolarHBondContact O-N 3.24Å; Y185-M188 PolarHBondContact O-N 2.93Å; Y185-L189 HydrophobicContact CE1-CD2 4.43Å; Y185-L189 WeakPolarHBondContact O-CB 3.33Å; Y185-L189 PolarHBondContact O-N 3.19Å
186L96.9Very high94.5Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-62.7-42.1176.7-64.7-174.2000112.5L170 Y182 K183 M188 L189 L190 I320 L323 E324 I327L170-L186 HydrophobicContact CD1-CD2 3.81Å; L170-L186 HydrophobicContact CD2-CD2 3.91Å; L170-L186 HydrophobicContact CG-CD2 4.49Å; Y182-L186 HydrophobicContact CD1-CD1 4.05Å; Y182-L186 HydrophobicContact CD1-CG 4.29Å; Y182-L186 HydrophobicContact CE1-CD1 3.46Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.46Å; Y182-L186 HydrophobicContact CE1-CD2 4.3Å; Y182-L186 HydrophobicContact CE1-CG 3.92Å; Y182-L186 HydrophobicContact CE2-CD2 3.95Å; Y182-L186 HydrophobicContact CE2-CG 4.19Å; Y182-L186 WeakPolarHBondContact O-CG 3.45Å; Y182-L186 PolarHBondContact O-N 2.94Å; K183-L186 WeakPolarHBondContact O-CB 3.24Å; K183-L186 PolarHBondContact O-N 3.26Å; L186-M188 VanDerWaalsContact C-N 3.33Å; L186-M188 PolarHBondContact O-N 2.82Å; L186-L189 PolarHBondContact O-N 3.34Å; L186-L190 WeakPolarHBondContact O-CB 3.5Å; L186-L190 PolarHBondContact O-N 3.32Å; L186-I320 HydrophobicContact CD1-CG2 3.89Å; L186-L323 HydrophobicContact CB-CB 4.23Å; L186-L323 HydrophobicContact CB-CD1 4.29Å; L186-L323 HydrophobicContact CD1-CB 4.09Å; L186-E324 HydrophobicContact CD1-CG 3.75Å; L186-I327 HydrophobicContact CB-CD1 3.99Å; L186-I327 HydrophobicContact CD2-CD1 3.63Å; L186-I327 HydrophobicContact CG-CD1 4.32Å
187E97.7Very high95.2Very high82 Ų8245.4 Ų45.438%0.38322%0.215SC..Hα-helixtrans-59.2-45.6176.3-72.7166.216500110.8K183 L190 E191 L323K183-E187 WeakPolarHBondContact CE-OE1 3.44Å; K183-E187 IonicContact NZ-OE1 3.97Å; K183-E187 WeakPolarHBondContact O-CG 3.48Å; K183-E187 PolarHBondContact O-N 2.88Å; E187-L190 PolarHBondContact O-N 3.41Å; E187-E191 WeakPolarHBondContact O-CB 3.35Å; E187-E191 PolarHBondContact O-N 2.95Å; E187-L323 HydrophobicContact CG-CD1 3.94Å; E187-L323 HydrophobicContact CG-CD2 4.47Å
188M97.6Very high95.6Very high60 Ų6043.5 Ų43.530%0.29621%0.213SC..Hα-helixtrans-66.8-42.3178.7-168.1-1768400112.9D144 C145 K148 R184 Y185 L186 Y192D144-M188 WeakPolarHBondContact O-CE 3.43Å; C145-M188 HydrophobicContact CB-CE 4.17Å; K148-M188 HydrophobicContact CB-CE 3.44Å; K148-M188 VanDerWaalsContact CB-CE 3.44Å; K148-M188 HydrophobicContact CB-SD 4.24Å; K148-M188 HydrophobicContact CG-CE 3.94Å; K148-M188 HydrophobicContact CG-SD 4.27Å; R184-M188 WeakPolarHBondContact O-CB 3.33Å; R184-M188 PolarHBondContact O-N 3.45Å; R184-M188 VanDerWaalsContact O-N 3.08Å; Y185-M188 PolarHBondContact O-N 2.93Å; L186-M188 VanDerWaalsContact C-N 3.33Å; L186-M188 PolarHBondContact O-N 2.82Å; M188-Y192 PolarHBondContact O-N 3.35Å; M188-Y192 VanDerWaalsContact O-N 3.09Å
189L97.8Very high96Very high0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-64.6-43.6176175.461.3000111L142 C145 F167 Y185 L186 Y192 L193 I327L142-L189 HydrophobicContact CD2-CD1 3.99Å; C145-L189 HydrophobicContact CB-CD1 4.31Å; F167-L189 HydrophobicContact CD2-CD1 4.3Å; F167-L189 HydrophobicContact CD2-CD2 4.08Å; Y185-L189 HydrophobicContact CE1-CD2 4.43Å; Y185-L189 WeakPolarHBondContact O-CB 3.33Å; Y185-L189 PolarHBondContact O-N 3.19Å; L186-L189 PolarHBondContact O-N 3.34Å; L189-Y192 PolarHBondContact O-N 3.17Å; L189-L193 HydrophobicContact CD1-CD1 3.95Å; L189-L193 HydrophobicContact CD1-CG 4.05Å; L189-L193 HydrophobicContact CG-CD1 3.94Å; L189-L193 HydrophobicContact CG-CG 4.43Å; L189-L193 WeakPolarHBondContact O-CB 3.43Å; L189-L193 VanDerWaalsContact O-CG 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 3Å; L189-I327 HydrophobicContact CD2-CD1 4.13Å; L189-I327 HydrophobicContact CD2-CG2 4.02Å; L189-I327 HydrophobicContact CG-CD1 4.43Å
190L97.7Very high96.3Very high8 Ų842.6 Ų42.64%0.04221%0.207CC..Hα-helixtrans-64.6-44.7178.8179.560.8000111.4L186 E187 Y192 L193 Q194 L323 Q326 I327 Y330L186-L190 WeakPolarHBondContact O-CB 3.5Å; L186-L190 PolarHBondContact O-N 3.32Å; E187-L190 PolarHBondContact O-N 3.41Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; L190-Y192 PolarHBondContact O-N 3.44Å; L190-L193 PolarHBondContact O-N 3.47Å; L190-Q194 HydrophobicContact CD1-CG 3.98Å; L190-Q194 HydrophobicContact CG-CG 4.29Å; L190-Q194 WeakPolarHBondContact O-CB 3.24Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.27Å; L190-Q194 PolarHBondContact O-N 3.35Å; L190-L323 HydrophobicContact CD2-CD2 3.66Å; L190-Q326 HydrophobicContact CD1-CB 3.69Å; L190-Q326 HydrophobicContact CD2-CB 3.99Å; L190-I327 HydrophobicContact CB-CD1 4.42Å; L190-I327 HydrophobicContact CB-CG1 4.03Å; L190-I327 HydrophobicContact CD1-CG1 4.17Å; L190-Y330 HydrophobicContact CD1-CD2 3.62Å; L190-Y330 HydrophobicContact CD1-CE2 3.84Å
191E97.8Very high96.5Very high137 Ų13743.3 Ų43.364%0.6420%0.199SC*.Hα-helixtrans-56.8-47.2176.2-178.1174-164.600111.2E187 Q194 D195E187-E191 WeakPolarHBondContact O-CB 3.35Å; E187-E191 PolarHBondContact O-N 2.95Å; E191-Q194 PolarHBondContact O-N 3.11Å; E191-D195 WeakPolarHBondContact O-CB 3.47Å; E191-D195 PolarHBondContact O-N 2.95Å
192Y98Very high96.6Very high39 Ų3940.1 Ų40.115%0.15319%0.185CC..Hα-helixtrans-60.1-49.3175.5176.8-96.9000112.4E134 L140 D141 L142 M188 L189 L190 Q194 D195 Y196E134-Y192 WeakPolarHBondContact OE1-CE2 3.43Å; E134-Y192 PolarHBondContact OE1-OH 3.34Å; L140-Y192 HydrophobicContact CB-CE1 4.43Å; L140-Y192 HydrophobicContact CD2-CE1 4.39Å; D141-Y192 PolarHBondContact N-OH 3.24Å; L142-Y192 HydrophobicContact CD2-CD1 3.53Å; L142-Y192 HydrophobicContact CD2-CE1 3.48Å; L142-Y192 VanDerWaalsContact CD2-CE1 3.48Å; L142-Y192 HydrophobicContact CG-CE1 4.43Å; M188-Y192 PolarHBondContact O-N 3.35Å; M188-Y192 VanDerWaalsContact O-N 3.09Å; L189-Y192 PolarHBondContact O-N 3.17Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; L190-Y192 PolarHBondContact O-N 3.44Å; Y192-Q194 VanDerWaalsContact C-N 3.31Å; Y192-Q194 PolarHBondContact O-N 3.34Å; Y192-D195 PolarHBondContact O-N 3.26Å; Y192-Y196 WeakPolarHBondContact O-CB 3.4Å; Y192-Y196 PolarHBondContact O-N 3.25Å; Y192-Y196 WeakPolarHBondContact OH-CD2 3.44Å
193L97.7Very high96.7Very high0 Ų043.1 Ų43.10%020%0.201CC..Hα-helixtrans-65.1-35.6-178.6-67.8173.1000112.2L189 L190 T197 I327 Y330 V331 L334L189-L193 HydrophobicContact CD1-CD1 3.95Å; L189-L193 HydrophobicContact CD1-CG 4.05Å; L189-L193 HydrophobicContact CG-CD1 3.94Å; L189-L193 HydrophobicContact CG-CG 4.43Å; L189-L193 WeakPolarHBondContact O-CB 3.43Å; L189-L193 VanDerWaalsContact O-CG 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 3Å; L190-L193 PolarHBondContact O-N 3.47Å; L193-T197 VanDerWaalsContact O-CB 3.29Å; L193-T197 WeakPolarHBondContact O-CB 3.33Å; L193-T197 PolarHBondContact O-N 3.07Å; L193-T197 PolarHBondContact O-OG1 3.49Å; L193-I327 HydrophobicContact CD1-CG2 4.04Å; L193-Y330 HydrophobicContact CB-CG 4.41Å; L193-V331 HydrophobicContact CD1-CG2 3.99Å; L193-L334 HydrophobicContact CD2-CD1 3.86Å
194Q96.7Very high96.7Very high58 Ų5842.9 Ų42.927%0.27120%0.201SC..Hα-helixtrans-65.3-55175.9-78.9179.9-37.300111.2L190 E191 Y192 Y196 T197 D198 Y330L190-Q194 HydrophobicContact CD1-CG 3.98Å; L190-Q194 HydrophobicContact CG-CG 4.29Å; L190-Q194 WeakPolarHBondContact O-CB 3.24Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.27Å; L190-Q194 PolarHBondContact O-N 3.35Å; E191-Q194 PolarHBondContact O-N 3.11Å; Y192-Q194 VanDerWaalsContact C-N 3.31Å; Y192-Q194 PolarHBondContact O-N 3.34Å; Q194-Y196 VanDerWaalsContact C-N 3.34Å; Q194-Y196 PolarHBondContact O-N 2.95Å; Q194-T197 PolarHBondContact O-N 3.22Å; Q194-T197 VanDerWaalsContact O-N 3.14Å; Q194-D198 PolarHBondContact O-N 3.4Å; Q194-Y330 HydrophobicContact CG-CD2 4.1Å; Q194-Y330 HydrophobicContact CG-CE1 4.1Å; Q194-Y330 HydrophobicContact CG-CE2 3.45Å; Q194-Y330 VanDerWaalsContact CG-CE2 3.45Å; Q194-Y330 VanDerWaalsContact CG-CZ 3.46Å
195D96.8Very high96.6Very high80 Ų8041 Ų4143%0.42820%0.2SC..Hα-helixtrans-56.7-48.2177.7172.180.7000111.6E191 Y192 T197 D198 R199E191-D195 WeakPolarHBondContact O-CB 3.47Å; E191-D195 PolarHBondContact O-N 2.95Å; Y192-D195 PolarHBondContact O-N 3.26Å; D195-T197 VanDerWaalsContact C-N 3.3Å; D195-T197 PolarHBondContact O-N 2.87Å; D195-D198 PolarHBondContact O-N 3.14Å; D195-R199 WeakPolarHBondContact O-CG 3.43Å; D195-R199 PolarHBondContact O-N 3.07Å; D195-R199 IonicContact OD2-CZ 3.96Å; D195-R199 VanDerWaalsContact OD2-CZ 3.28Å; D195-R199 IonicContact OD2-NE 3.04Å; D195-R199 PolarHBondContact OD2-NE 2.98Å; D195-R199 IonicContact OD2-NH2 3.74Å; D195-R199 PolarHBondContact OD2-NH2 3.01Å
196Y97.7Very high96.4Very high0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-60.2-40.9177.4-173.4-85.8000112.2F130 E134 G137 Y139 L140 Y192 Q194 R199 V200 L334 Q337F130-Y196 HydrophobicContact CD1-CE2 4.4Å; F130-Y196 HydrophobicContact CE1-CE2 4.2Å; E134-Y196 HydrophobicContact CB-CE2 4.19Å; E134-Y196 HydrophobicContact CG-CD2 4.31Å; E134-Y196 HydrophobicContact CG-CE2 3.87Å; E134-Y196 WeakPolarHBondContact OE1-CD2 3.45Å; G137-Y196 VanDerWaalsContact CA-OH 3.31Å; G137-Y196 WeakPolarHBondContact CA-OH 3.25Å; G137-Y196 PolarHBondContact O-OH 3.31Å; Y139-Y196 VanDerWaalsContact O-CE2 3.22Å; Y139-Y196 WeakPolarHBondContact O-CE2 3.49Å; Y139-Y196 VanDerWaalsContact O-CZ 3.28Å; Y139-Y196 PolarHBondContact O-OH 3.09Å; L140-Y196 HydrophobicContact CD2-CD1 3.59Å; L140-Y196 HydrophobicContact CD2-CD2 4.2Å; L140-Y196 HydrophobicContact CD2-CE1 3.41Å; L140-Y196 VanDerWaalsContact CD2-CE1 3.41Å; L140-Y196 HydrophobicContact CD2-CE2 4.03Å; L140-Y196 HydrophobicContact CD2-CG 3.97Å; Y192-Y196 WeakPolarHBondContact O-CB 3.4Å; Y192-Y196 PolarHBondContact O-N 3.25Å; Y192-Y196 WeakPolarHBondContact OH-CD2 3.44Å; Q194-Y196 VanDerWaalsContact C-N 3.34Å; Q194-Y196 PolarHBondContact O-N 2.95Å; Y196-R199 PolarHBondContact O-N 3.22Å; Y196-V200 HydrophobicContact CD1-CG2 3.94Å; Y196-V200 HydrophobicContact CE1-CB 4.29Å; Y196-V200 HydrophobicContact CE1-CG2 3.44Å; Y196-V200 VanDerWaalsContact CE1-CG2 3.44Å; Y196-V200 HydrophobicContact CE2-CG2 4.33Å; Y196-V200 WeakPolarHBondContact O-CG2 3.35Å; Y196-V200 PolarHBondContact O-N 2.86Å; Y196-L334 HydrophobicContact CD1-CD1 3.87Å; Y196-L334 HydrophobicContact CD1-CD2 3.83Å; Y196-L334 HydrophobicContact CE1-CD2 3.95Å; Y196-Q337 HydrophobicContact CE1-CB 4.44Å; Y196-Q337 HydrophobicContact CE1-CG 4.04Å
197T97Very high96.2Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-65-41177.3-58.70000111.2L193 Q194 D195 R199 V200 K201 Y330 I333 L334L193-T197 VanDerWaalsContact O-CB 3.29Å; L193-T197 WeakPolarHBondContact O-CB 3.33Å; L193-T197 PolarHBondContact O-N 3.07Å; L193-T197 PolarHBondContact O-OG1 3.49Å; Q194-T197 PolarHBondContact O-N 3.22Å; Q194-T197 VanDerWaalsContact O-N 3.14Å; D195-T197 VanDerWaalsContact C-N 3.3Å; D195-T197 PolarHBondContact O-N 2.87Å; T197-R199 VanDerWaalsContact C-N 3.27Å; T197-R199 PolarHBondContact O-N 3.44Å; T197-V200 PolarHBondContact O-N 2.82Å; T197-K201 HydrophobicContact CG2-CB 4.48Å; T197-K201 CarbonylContact O-C 3.58Å; T197-K201 WeakPolarHBondContact O-CA 3.39Å; T197-K201 WeakPolarHBondContact O-CB 3.21Å; T197-K201 PolarHBondContact O-N 2.97Å; T197-Y330 HydrophobicContact CG2-CD1 4.2Å; T197-Y330 HydrophobicContact CG2-CE1 4.14Å; T197-Y330 WeakPolarHBondContact OG1-CD1 3.45Å; T197-I333 HydrophobicContact CG2-CG2 4.15Å; T197-L334 WeakPolarHBondContact OG1-CD1 3.46Å
198D95.9Very high96.1Very high72 Ų7252.3 Ų52.339%0.38526%0.257SS..Hα-helixtrans-64.3-34.1176.3-73-18.5000111.8Q194 D195 P202 Q206Q194-D198 PolarHBondContact O-N 3.4Å; D195-D198 PolarHBondContact O-N 3.14Å; D198-P202 WeakPolarHBondContact O-CA 3.47Å; D198-Q206 WeakPolarHBondContact OD1-CG 3.41Å; D198-Q206 PolarHBondContact OD1-NE2 2.89Å
199R96.7Very high95.9Very high31 Ų3150.2 Ų50.212%0.11725%0.247CC..Hα-helixtrans-72.5-40.9175.3-70.8-170-74133.82.5113.2I37 H41 V128 E129 F130 E134 D195 Y196 T197I37-R199 WeakPolarHBondContact CG2-O 3.47Å; H41-R199 PolarHBondContact NE2-O 3.34Å; V128-R199 HydrophobicContact CG1-CB 3.78Å; V128-R199 HydrophobicContact CG1-CG 3.56Å; E129-R199 VanDerWaalsContact O-CD 3.26Å; E129-R199 WeakPolarHBondContact O-CD 3.24Å; E129-R199 PolarHBondContact O-NH1 3.31Å; F130-R199 HydrophobicContact CE1-CB 3.92Å; F130-R199 HydrophobicContact CE2-CB 4.44Å; F130-R199 HydrophobicContact CZ-CB 3.66Å; E134-R199 IonicContact OE1-CZ 3.26Å; E134-R199 IonicContact OE1-NH1 2.7Å; E134-R199 IonicContact OE1-NH2 2.91Å; E134-R199 PolarHBondContact OE1-NH2 2.98Å; E134-R199 IonicContact OE2-CZ 2.67Å; E134-R199 IonicContact OE2-NH1 3.79Å; E134-R199 PolarHBondContact OE2-NH1 3.44Å; E134-R199 IonicContact OE2-NH2 2.66Å; E134-R199 PolarHBondContact OE2-NH2 3.31Å; D195-R199 WeakPolarHBondContact O-CG 3.43Å; D195-R199 PolarHBondContact O-N 3.07Å; D195-R199 IonicContact OD2-CZ 3.96Å; D195-R199 VanDerWaalsContact OD2-CZ 3.28Å; D195-R199 IonicContact OD2-NE 3.04Å; D195-R199 PolarHBondContact OD2-NE 2.98Å; D195-R199 IonicContact OD2-NH2 3.74Å; D195-R199 PolarHBondContact OD2-NH2 3.01Å; Y196-R199 PolarHBondContact O-N 3.22Å; T197-R199 VanDerWaalsContact C-N 3.27Å; T197-R199 PolarHBondContact O-N 3.44Å
200V96.5Very high95.8Very high10 Ų1053.7 Ų53.76%0.06126%0.262CS..Hα-helixtrans-86.7-29.5-178.2177.90000112.9I37 F130 Y196 T197I37-V200 HydrophobicContact CD1-CG1 4.39Å; I37-V200 HydrophobicContact CD1-CG2 4.41Å; F130-V200 HydrophobicContact CE1-CG2 3.75Å; F130-V200 HydrophobicContact CZ-CG2 3.87Å; Y196-V200 HydrophobicContact CD1-CG2 3.94Å; Y196-V200 HydrophobicContact CE1-CB 4.29Å; Y196-V200 HydrophobicContact CE1-CG2 3.44Å; Y196-V200 VanDerWaalsContact CE1-CG2 3.44Å; Y196-V200 HydrophobicContact CE2-CG2 4.33Å; Y196-V200 WeakPolarHBondContact O-CG2 3.35Å; Y196-V200 PolarHBondContact O-N 2.86Å; T197-V200 PolarHBondContact O-N 2.82Å
201K95.9Very high95.8Very high74 Ų7455 Ų5532%0.32228%0.278SS..  trans-132.459.5-174.4-57.7-170.9178.9-1740111.9T197 L203 Q204 I333T197-K201 HydrophobicContact CG2-CB 4.48Å; T197-K201 CarbonylContact O-C 3.58Å; T197-K201 WeakPolarHBondContact O-CA 3.39Å; T197-K201 WeakPolarHBondContact O-CB 3.21Å; T197-K201 PolarHBondContact O-N 2.97Å; K201-L203 PolarHBondContact O-N 3.44Å; K201-L203 VanDerWaalsContact O-N 3.08Å; K201-Q204 HydrophobicContact CB-CB 4.23Å; K201-Q204 VanDerWaalsContact O-CB 3.25Å; K201-Q204 WeakPolarHBondContact O-CB 3.45Å; K201-Q204 PolarHBondContact O-N 2.87Å; K201-I333 HydrophobicContact CD-CG2 3.96Å; K201-I333 PolarHBondContact NZ-O 3.1Å
202P95.9Very high95.7Very high13 Ų1353.4 Ų53.48%0.08427%0.269CS..THydrogen-bonded Turntrans-63.4-20.5-175.328.8-39.1000114.4D40 H41 R44 D198 Q204D40-P202 HydrophobicContact CB-CG 3.69Å; H41-P202 HydrophobicContact CB-CG 4.49Å; H41-P202 VanDerWaalsContact CE1-CB 3.46Å; H41-P202 WeakPolarHBondContact CE1-CB 3.26Å; R44-P202 HydrophobicContact CB-CB 4.18Å; R44-P202 WeakPolarHBondContact CD-O 3.41Å; R44-P202 HydrophobicContact CG-CB 4.35Å; D198-P202 WeakPolarHBondContact O-CA 3.47Å; P202-Q204 VanDerWaalsContact C-N 3.26Å; P202-Q204 PolarHBondContact O-N 3.46Å
203L95.4Very high95.6Very high67 Ų6751.8 Ų51.835%0.35126%0.262SS..THydrogen-bonded Turntrans-80.1-5.7176.5-62.1178.6000113.3D40 T43 R44 K201D40-L203 HydrophobicContact CB-CD1 4.02Å; D40-L203 HydrophobicContact CB-CG 4.11Å; D40-L203 WeakPolarHBondContact OD1-CD1 3.44Å; T43-L203 HydrophobicContact CG2-CD1 4.23Å; T43-L203 HydrophobicContact CG2-CD2 3.9Å; R44-L203 HydrophobicContact CB-CD2 3.99Å; K201-L203 PolarHBondContact O-N 3.44Å; K201-L203 VanDerWaalsContact O-N 3.08Å
204Q94.3Very high95.6Very high52 Ų5256 Ų5624%0.24328%0.282CS..SBendtrans-76.2128.1176.8-174.51659.500111K201 P202 Q206K201-Q204 HydrophobicContact CB-CB 4.23Å; K201-Q204 VanDerWaalsContact O-CB 3.25Å; K201-Q204 WeakPolarHBondContact O-CB 3.45Å; K201-Q204 PolarHBondContact O-N 2.87Å; P202-Q204 VanDerWaalsContact C-N 3.26Å; P202-Q204 PolarHBondContact O-N 3.46Å; Q204-Q206 PolarHBondContact O-N 3.17Å; Q204-Q206 VanDerWaalsContact O-N 3.08Å
205D93.5Very high95.6Very high78 Ų7856.3 Ų56.342%0.41730%0.295SS..  trans-76.499.3175-169.3-25.6000110.5N207 E208 L209D205-N207 VanDerWaalsContact C-N 3.26Å; D205-N207 PolarHBondContact O-N 3.3Å; D205-N207 WeakPolarHBondContact OD1-CA 3.22Å; D205-N207 WeakPolarHBondContact OD1-CB 3.36Å; D205-N207 PolarHBondContact OD1-N 3.32Å; D205-E208 HydrophobicContact CB-CB 3.92Å; D205-E208 PolarHBondContact O-N 3.45Å; D205-E208 PolarHBondContact OD1-N 2.9Å; D205-L209 WeakPolarHBondContact O-CB 3.32Å; D205-L209 PolarHBondContact O-N 3.27Å
206Q90.4Very high95.6Very high35 Ų3555.7 Ų55.716%0.16429%0.289CS..Hα-helixtrans-63.6-29177.8-62.8-60.2-2200113.1D198 Q204 F210 Y330D198-Q206 WeakPolarHBondContact OD1-CG 3.41Å; D198-Q206 PolarHBondContact OD1-NE2 2.89Å; Q204-Q206 PolarHBondContact O-N 3.17Å; Q204-Q206 VanDerWaalsContact O-N 3.08Å; Q206-F210 VanDerWaalsContact O-CB 3.29Å; Q206-F210 WeakPolarHBondContact O-CB 3.28Å; Q206-F210 PolarHBondContact O-N 2.91Å; Q206-Y330 PolarHBondContact OE1-OH 2.9Å
207N93.1Very high95.5Very high138 Ų13855.9 Ų55.974%0.73829%0.29SS*.Hα-helixtrans-72.9-42.2178.9-63.7-60.6000110.7D205 L209 G211D205-N207 VanDerWaalsContact C-N 3.26Å; D205-N207 PolarHBondContact O-N 3.3Å; D205-N207 WeakPolarHBondContact OD1-CA 3.22Å; D205-N207 WeakPolarHBondContact OD1-CB 3.36Å; D205-N207 PolarHBondContact OD1-N 3.32Å; N207-L209 VanDerWaalsContact C-N 3.35Å; N207-G211 PolarHBondContact O-N 3.09Å
208E95.1Very high95.5Very high146 Ų14658.6 Ų58.668%0.68230%0.303SS*.Hα-helixtrans-62.1-45.5173.3-173178-178.700110.6D205 G211 K212D205-E208 HydrophobicContact CB-CB 3.92Å; D205-E208 PolarHBondContact O-N 3.45Å; D205-E208 PolarHBondContact OD1-N 2.9Å; E208-G211 PolarHBondContact O-N 3.08Å; E208-K212 PolarHBondContact O-N 2.76Å
209L94.8Very high95.4Very high16 Ų1662 Ų628%0.08431%0.314CS..Hα-helixtrans-57.6-54176.1179.463000110.9D205 N207 G211 K212 I213 Y330 I333D205-L209 WeakPolarHBondContact O-CB 3.32Å; D205-L209 PolarHBondContact O-N 3.27Å; N207-L209 VanDerWaalsContact C-N 3.35Å; L209-G211 VanDerWaalsContact C-N 3.3Å; L209-G211 PolarHBondContact O-N 2.96Å; L209-K212 WeakPolarHBondContact O-CB 3.38Å; L209-K212 PolarHBondContact O-N 3.42Å; L209-K212 VanDerWaalsContact O-N 3.09Å; L209-I213 HydrophobicContact CD1-CD1 4.08Å; L209-I213 HydrophobicContact CD1-CG1 4.22Å; L209-I213 HydrophobicContact CD2-CD1 4.46Å; L209-I213 HydrophobicContact CG-CD1 3.85Å; L209-I213 HydrophobicContact CG-CG1 4.36Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 3.21Å; L209-Y330 HydrophobicContact CD2-CD1 4.48Å; L209-Y330 HydrophobicContact CD2-CE1 3.81Å; L209-I333 HydrophobicContact CD1-CD1 3.85Å; L209-I333 HydrophobicContact CD2-CD1 3.46Å; L209-I333 VanDerWaalsContact CD2-CD1 3.46Å; L209-I333 HydrophobicContact CG-CD1 4.31Å
210F95.3Very high95.3Very high74 Ų7464.2 Ų64.233%0.32533%0.325SS..Hα-helixtrans-56.9-43.8179.5-177.6-91.5000112.1Q206 K212 I213 Q214 F322Q206-F210 VanDerWaalsContact O-CB 3.29Å; Q206-F210 WeakPolarHBondContact O-CB 3.28Å; Q206-F210 PolarHBondContact O-N 2.91Å; F210-K212 VanDerWaalsContact C-N 3.33Å; F210-K212 PolarHBondContact O-N 3.05Å; F210-I213 PolarHBondContact O-N 3.45Å; F210-Q214 WeakPolarHBondContact O-CB 3.25Å; F210-Q214 PolarHBondContact O-N 3.43Å; F210-F322 AromaticContact CE2-CE1 3.95Å; F210-F322 HydrophobicContact CE2-CE1 3.95Å; F210-F322 AromaticContact CE2-CZ 3.79Å; F210-F322 HydrophobicContact CE2-CZ 3.79Å; F210-F322 AromaticContact CZ-CE1 3.88Å; F210-F322 HydrophobicContact CZ-CE1 3.88Å; F210-F322 AromaticContact CZ-CZ 3.74Å; F210-F322 HydrophobicContact CZ-CZ 3.74Å
211G96.5Very high95.2Very high36 Ų3667 Ų6737%0.37133%0.334SS..Hα-helixtrans-60.2-41.2176.500000112.8N207 E208 L209 A215N207-G211 PolarHBondContact O-N 3.09Å; E208-G211 PolarHBondContact O-N 3.08Å; L209-G211 VanDerWaalsContact C-N 3.3Å; L209-G211 PolarHBondContact O-N 2.96Å; G211-A215 WeakPolarHBondContact O-CB 3.29Å; G211-A215 PolarHBondContact O-N 2.89Å
212K96.7Very high94.9Very high103 Ų10370 Ų7045%0.44835%0.35SS..Hα-helixtrans-63.2-49174.3-177-168.2170.4-148.80111.3E208 L209 F210 Q214 A215 E216 E329E208-K212 PolarHBondContact O-N 2.76Å; L209-K212 WeakPolarHBondContact O-CB 3.38Å; L209-K212 PolarHBondContact O-N 3.42Å; L209-K212 VanDerWaalsContact O-N 3.09Å; F210-K212 VanDerWaalsContact C-N 3.33Å; F210-K212 PolarHBondContact O-N 3.05Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.24Å; K212-A215 PolarHBondContact O-N 3.44Å; K212-E216 WeakPolarHBondContact CE-OE1 3.42Å; K212-E216 WeakPolarHBondContact O-CG 3.2Å; K212-E216 PolarHBondContact O-N 3.29Å; K212-E329 IonicContact NZ-OE2 3.82Å
213I96.2Very high94.7Very high4 Ų474 Ų742%0.02137%0.37CS..Hα-helixtrans-57.6-47179.1-61.5174.6000110.1L209 F210 E216 F217 F322 A325 Q326 E329L209-I213 HydrophobicContact CD1-CD1 4.08Å; L209-I213 HydrophobicContact CD1-CG1 4.22Å; L209-I213 HydrophobicContact CD2-CD1 4.46Å; L209-I213 HydrophobicContact CG-CD1 3.85Å; L209-I213 HydrophobicContact CG-CG1 4.36Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 3.21Å; F210-I213 PolarHBondContact O-N 3.45Å; I213-E216 PolarHBondContact O-N 3.48Å; I213-F217 WeakPolarHBondContact O-CB 3.45Å; I213-F217 PolarHBondContact O-N 3.41Å; I213-F322 HydrophobicContact CG2-CE2 4.3Å; I213-A325 HydrophobicContact CG2-CB 4.45Å; I213-Q326 HydrophobicContact CG2-CG 3.89Å; I213-E329 HydrophobicContact CD1-CB 3.64Å; I213-E329 HydrophobicContact CD1-CG 4.09Å; I213-E329 HydrophobicContact CG1-CB 3.89Å; I213-E329 HydrophobicContact CG1-CG 3.78Å; I213-E329 HydrophobicContact CG2-CG 4.44Å
214Q96.8Very high94.3Very high88 Ų8871.8 Ų71.841%0.41136%0.364SS..Hα-helixtrans-61.1-47.4179.2-172.217615.800112.1F210 K212 E216 F217 E218 F322F210-Q214 WeakPolarHBondContact O-CB 3.25Å; F210-Q214 PolarHBondContact O-N 3.43Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.24Å; Q214-E216 PolarHBondContact O-N 3.05Å; Q214-F217 PolarHBondContact O-N 2.98Å; Q214-E218 WeakPolarHBondContact O-CG 3.09Å; Q214-E218 PolarHBondContact O-N 3.5Å; Q214-F322 HydrophobicContact CB-CE2 4.22Å; Q214-F322 HydrophobicContact CB-CZ 4.24Å; Q214-F322 HydrophobicContact CG-CE2 4.42Å; Q214-F322 HydrophobicContact CG-CZ 4.41Å
215A97.1Very high94.2Very high65 Ų6573.7 Ų73.754%0.53738%0.379SS..Hα-helixtrans-63-42.7179.400000112.3G211 K212 K219G211-A215 WeakPolarHBondContact O-CB 3.29Å; G211-A215 PolarHBondContact O-N 2.89Å; K212-A215 PolarHBondContact O-N 3.44Å; A215-K219 WeakPolarHBondContact O-CB 3.25Å; A215-K219 PolarHBondContact O-N 3.18Å
216E96.4Very high94.2Very high67 Ų6770.5 Ų70.531%0.31336%0.361SS..Hα-helixtrans-67.6-41.2177-74-161.9-162.700112.7K212 I213 Q214 K219 K220K212-E216 WeakPolarHBondContact CE-OE1 3.42Å; K212-E216 WeakPolarHBondContact O-CG 3.2Å; K212-E216 PolarHBondContact O-N 3.29Å; I213-E216 PolarHBondContact O-N 3.48Å; Q214-E216 PolarHBondContact O-N 3.05Å; E216-K219 PolarHBondContact O-N 2.92Å; E216-K220 WeakPolarHBondContact O-CG 3.32Å; E216-K220 PolarHBondContact O-N 3Å; E216-K220 IonicContact OE2-NZ 3.59Å; E216-K220 PolarHBondContact OE2-NZ 3.06Å
217F96.8Very high94.2Very high4 Ų471.6 Ų71.62%0.01837%0.372CS..Hα-helixtrans-61.2-51.8176.6171.7-104.6000111.2I213 Q214 K219 K220 W221 F226 K318 A321 F322 A325I213-F217 WeakPolarHBondContact O-CB 3.45Å; I213-F217 PolarHBondContact O-N 3.41Å; Q214-F217 PolarHBondContact O-N 2.98Å; F217-K219 VanDerWaalsContact C-N 3.27Å; F217-K219 PolarHBondContact O-N 2.91Å; F217-K220 PolarHBondContact O-N 3.46Å; F217-K220 VanDerWaalsContact O-N 3.1Å; F217-W221 HydrophobicContact CE1-CB 4.38Å; F217-W221 HydrophobicContact CE1-CG 4.44Å; F217-W221 HydrophobicContact CE2-CB 4.46Å; F217-W221 HydrophobicContact CE2-CD2 4.47Å; F217-W221 AromaticContact CE2-CE3 3.94Å; F217-W221 HydrophobicContact CE2-CE3 3.94Å; F217-W221 HydrophobicContact CZ-CB 4.26Å; F217-W221 AromaticContact CZ-CD2 3.98Å; F217-W221 HydrophobicContact CZ-CD2 3.98Å; F217-W221 AromaticContact CZ-CE3 3.8Å; F217-W221 HydrophobicContact CZ-CE3 3.8Å; F217-W221 HydrophobicContact CZ-CG 4.19Å; F217-W221 HydrophobicContact CZ-CZ3 4.48Å; F217-W221 WeakPolarHBondContact O-CB 3.35Å; F217-W221 PolarHBondContact O-N 3.12Å; F217-F226 AromaticContact CD2-CD2 3.84Å; F217-F226 HydrophobicContact CD2-CD2 3.84Å; F217-F226 AromaticContact CD2-CE2 3.74Å; F217-F226 HydrophobicContact CD2-CE2 3.74Å; F217-F226 HydrophobicContact CD2-CG 4.37Å; F217-F226 HydrophobicContact CD2-CZ 4.19Å; F217-F226 HydrophobicContact CE2-CD1 4.23Å; F217-F226 HydrophobicContact CE2-CD2 4.1Å; F217-F226 HydrophobicContact CE2-CE1 4.22Å; F217-F226 HydrophobicContact CE2-CE2 4.09Å; F217-F226 HydrophobicContact CE2-CG 4.19Å; F217-F226 HydrophobicContact CE2-CZ 4.16Å; F217-K318 HydrophobicContact CE1-CG 3.98Å; F217-K318 HydrophobicContact CZ-CG 4Å; F217-A321 HydrophobicContact CE2-CB 3.78Å; F217-A321 HydrophobicContact CZ-CB 3.94Å; F217-F322 HydrophobicContact CB-CD2 4.02Å; F217-F322 HydrophobicContact CB-CE2 4.28Å; F217-F322 HydrophobicContact CD1-CB 4.22Å; F217-F322 AromaticContact CD1-CD2 3.43Å; F217-F322 HydrophobicContact CD1-CD2 3.43Å; F217-F322 VanDerWaalsContact CD1-CD2 3.43Å; F217-F322 HydrophobicContact CD1-CE2 4.2Å; F217-F322 HydrophobicContact CD1-CG 4.17Å; F217-F322 HydrophobicContact CD2-CD2 4.28Å; F217-F322 HydrophobicContact CE1-CB 3.78Å; F217-F322 AromaticContact CE1-CD2 3.9Å; F217-F322 HydrophobicContact CE1-CD2 3.9Å; F217-F322 HydrophobicContact CE1-CG 4.18Å; F217-F322 HydrophobicContact CE2-CB 4.31Å; F217-F322 AromaticContact CG-CD2 3.64Å; F217-F322 HydrophobicContact CG-CD2 3.64Å; F217-F322 HydrophobicContact CG-CE2 4.35Å; F217-F322 HydrophobicContact CZ-CB 3.83Å; F217-F322 HydrophobicContact CZ-CD2 4.5Å; F217-A325 HydrophobicContact CB-CB 4.23Å; F217-A325 HydrophobicContact CD2-CB 3.67Å; F217-A325 HydrophobicContact CE2-CB 4.43Å; F217-A325 HydrophobicContact CG-CB 4.23Å
218E95.8Very high93.9Very high58 Ų5866.3 Ų66.327%0.27135%0.35SS..Hα-helixtrans-57.6-43179.7-70.7-66.1171.300111Q214 K220 W221 E222 K318Q214-E218 WeakPolarHBondContact O-CG 3.09Å; Q214-E218 PolarHBondContact O-N 3.5Å; E218-K220 PolarHBondContact O-N 2.72Å; E218-W221 PolarHBondContact O-N 3.27Å; E218-E222 WeakPolarHBondContact O-CB 3.35Å; E218-E222 WeakPolarHBondContact O-CG 3.41Å; E218-E222 PolarHBondContact O-N 3.26Å; E218-K318 VanDerWaalsContact OE1-CE 3.28Å; E218-K318 WeakPolarHBondContact OE1-CE 3.26Å; E218-K318 IonicContact OE1-NZ 4Å; E218-K318 PolarHBondContact OE1-NZ 3.42Å; E218-K318 WeakPolarHBondContact OE2-CE 3.29Å; E218-K318 IonicContact OE2-NZ 3.81Å; E218-K318 PolarHBondContact OE2-NZ 3.4Å
219K95Very high93.6Very high143 Ų14360.3 Ų60.362%0.62232%0.321SS*.Hα-helixtrans-60.5-46.1174.9-176.1-178178.3-176.20112.6A215 E216 F217 N223A215-K219 WeakPolarHBondContact O-CB 3.25Å; A215-K219 PolarHBondContact O-N 3.18Å; E216-K219 PolarHBondContact O-N 2.92Å; F217-K219 VanDerWaalsContact C-N 3.27Å; F217-K219 PolarHBondContact O-N 2.91Å; K219-N223 WeakPolarHBondContact O-CB 3.41Å; K219-N223 VanDerWaalsContact O-CG 3.3Å; K219-N223 PolarHBondContact O-N 3.35Å; K219-N223 PolarHBondContact O-ND2 3.38Å
220K94.2Very high92.6Very high78 Ų7864.9 Ų64.934%0.33935%0.352SS..Hα-helixtrans-68.3-36.3178.3-72.1169.4-175.8160.80111.2E216 F217 E218 G224 T225 F226E216-K220 WeakPolarHBondContact O-CG 3.32Å; E216-K220 PolarHBondContact O-N 3Å; E216-K220 IonicContact OE2-NZ 3.59Å; E216-K220 PolarHBondContact OE2-NZ 3.06Å; F217-K220 PolarHBondContact O-N 3.46Å; F217-K220 VanDerWaalsContact O-N 3.1Å; E218-K220 PolarHBondContact O-N 2.72Å; K220-G224 PolarHBondContact O-N 3.41Å; K220-T225 PolarHBondContact O-N 3.17Å; K220-T225 PolarHBondContact O-OG1 3.42Å; K220-F226 HydrophobicContact CB-CB 4.24Å; K220-F226 HydrophobicContact CB-CD2 4.2Å; K220-F226 HydrophobicContact CD-CD2 4.46Å; K220-F226 PolarHBondContact O-N 3.2Å
221W93.5Very high91.3Very high67 Ų6767.4 Ų67.425%0.25436%0.363SS..Hα-helixtrans-68.9-49.4-179.2-173-100.7000112.2F217 E218 N223 G224 F226 W229 K318 A321F217-W221 HydrophobicContact CE1-CB 4.38Å; F217-W221 HydrophobicContact CE1-CG 4.44Å; F217-W221 HydrophobicContact CE2-CB 4.46Å; F217-W221 HydrophobicContact CE2-CD2 4.47Å; F217-W221 AromaticContact CE2-CE3 3.94Å; F217-W221 HydrophobicContact CE2-CE3 3.94Å; F217-W221 HydrophobicContact CZ-CB 4.26Å; F217-W221 AromaticContact CZ-CD2 3.98Å; F217-W221 HydrophobicContact CZ-CD2 3.98Å; F217-W221 AromaticContact CZ-CE3 3.8Å; F217-W221 HydrophobicContact CZ-CE3 3.8Å; F217-W221 HydrophobicContact CZ-CG 4.19Å; F217-W221 HydrophobicContact CZ-CZ3 4.48Å; F217-W221 WeakPolarHBondContact O-CB 3.35Å; F217-W221 PolarHBondContact O-N 3.12Å; E218-W221 PolarHBondContact O-N 3.27Å; W221-N223 VanDerWaalsContact C-N 3.31Å; W221-N223 PolarHBondContact O-N 2.92Å; W221-G224 PolarHBondContact O-N 3.02Å; W221-F226 HydrophobicContact CE3-CB 4.3Å; W221-F226 HydrophobicContact CE3-CD1 4.42Å; W221-W229 HydrophobicContact CZ3-CB 3.95Å; W221-W229 HydrophobicContact CZ3-CD2 4.33Å; W221-W229 HydrophobicContact CZ3-CG 4Å; W221-K318 HydrophobicContact CD2-CG 4.23Å; W221-K318 HydrophobicContact CH2-CB 4.23Å; W221-K318 HydrophobicContact CZ2-CB 3.65Å; W221-K318 HydrophobicContact CZ2-CG 3.95Å; W221-A321 HydrophobicContact CE3-CB 3.98Å; W221-A321 HydrophobicContact CH2-CB 4.06Å; W221-A321 HydrophobicContact CZ3-CB 3.37Å
222E90.6Very high89.6Confident139 Ų13972.9 Ų72.965%0.6538%0.378SS*.Hα-helixtrans-60.5-41.1176.6-72.117917000111.8E218 G224 K231E218-E222 WeakPolarHBondContact O-CB 3.35Å; E218-E222 WeakPolarHBondContact O-CG 3.41Å; E218-E222 PolarHBondContact O-N 3.26Å; E222-G224 PolarHBondContact O-N 2.94Å; E222-K231 PolarHBondContact O-NZ 3.09Å
223N90.3Very high87.4Confident95 Ų9574.4 Ų74.451%0.50840%0.396SS..Hα-helixtrans-71.7-17.6175.7-69.8-40.1000112.8K219 W221 T225 K231K219-N223 WeakPolarHBondContact O-CB 3.41Å; K219-N223 VanDerWaalsContact O-CG 3.3Å; K219-N223 PolarHBondContact O-N 3.35Å; K219-N223 PolarHBondContact O-ND2 3.38Å; W221-N223 VanDerWaalsContact C-N 3.31Å; W221-N223 PolarHBondContact O-N 2.92Å; N223-T225 VanDerWaalsContact C-N 3.29Å; N223-T225 HydrophobicContact CB-CG2 4.05Å; N223-K231 PolarHBondContact O-NZ 3.18Å
224G88.5Confident84.8Confident22 Ų2279.8 Ų79.823%0.22743%0.434CS..THydrogen-bonded Turntrans70.127.9-177.100000113.2K220 W221 E222 K231K220-G224 PolarHBondContact O-N 3.41Å; W221-G224 PolarHBondContact O-N 3.02Å; E222-G224 PolarHBondContact O-N 2.94Å; G224-K231 VanDerWaalsContact CA-CE 3.47Å
225T92.1Very high82.1Confident92 Ų9279.7 Ų79.756%0.56444%0.443SS*.  trans-10711-179.260.50000111.6K220 N223K220-T225 PolarHBondContact O-N 3.17Å; K220-T225 PolarHBondContact O-OG1 3.42Å; N223-T225 VanDerWaalsContact C-N 3.29Å; N223-T225 HydrophobicContact CB-CG2 4.05Å
226F92Very high79.5Confident10 Ų1081.4 Ų81.44%0.04446%0.458CS..  trans-73.2125.5177.7-170.8-103.7000110.2F217 K220 W221 W229 A321 E324 A325 Y328F217-F226 AromaticContact CD2-CD2 3.84Å; F217-F226 HydrophobicContact CD2-CD2 3.84Å; F217-F226 AromaticContact CD2-CE2 3.74Å; F217-F226 HydrophobicContact CD2-CE2 3.74Å; F217-F226 HydrophobicContact CD2-CG 4.37Å; F217-F226 HydrophobicContact CD2-CZ 4.19Å; F217-F226 HydrophobicContact CE2-CD1 4.23Å; F217-F226 HydrophobicContact CE2-CD2 4.1Å; F217-F226 HydrophobicContact CE2-CE1 4.22Å; F217-F226 HydrophobicContact CE2-CE2 4.09Å; F217-F226 HydrophobicContact CE2-CG 4.19Å; F217-F226 HydrophobicContact CE2-CZ 4.16Å; K220-F226 HydrophobicContact CB-CB 4.24Å; K220-F226 HydrophobicContact CB-CD2 4.2Å; K220-F226 HydrophobicContact CD-CD2 4.46Å; K220-F226 PolarHBondContact O-N 3.2Å; W221-F226 HydrophobicContact CE3-CB 4.3Å; W221-F226 HydrophobicContact CE3-CD1 4.42Å; F226-W229 HydrophobicContact CD1-CB 4.27Å; F226-W229 AromaticContact CD1-CD1 3.44Å; F226-W229 VanDerWaalsContact CD1-CD1 3.44Å; F226-W229 HydrophobicContact CD1-CG 4.12Å; F226-W229 AromaticContact CE1-CD1 3.59Å; F226-W229 PolarHBondContact O-N 3.13Å; F226-A321 HydrophobicContact CD1-CB 3.93Å; F226-A321 HydrophobicContact CE1-CB 3.71Å; F226-A321 WeakPolarHBondContact CE1-O 3.44Å; F226-A321 WeakPolarHBondContact CZ-O 3.49Å; F226-E324 HydrophobicContact CE1-CB 4.43Å; F226-E324 HydrophobicContact CZ-CB 4.29Å; F226-A325 HydrophobicContact CE2-CB 3.64Å; F226-A325 HydrophobicContact CZ-CB 3.73Å; F226-Y328 HydrophobicContact CZ-CD2 4.42Å; F226-Y328 AromaticContact CZ-CE2 4Å; F226-Y328 HydrophobicContact CZ-CE2 4Å
227P90.7Very high77Confident59 Ų5985.5 Ų85.538%0.38348%0.481SS..THydrogen-bonded Turntrans-55.3142.7-177.1-26.735.4000113F171 W229F171-P227 HydrophobicContact CB-CB 3.76Å; F171-P227 HydrophobicContact CG-CB 4.46Å; P227-W229 PolarHBondContact O-N 3.35Å
228G87.4Confident74.8Confident27 Ų2790.6 Ų90.628%0.27851%0.513SS..THydrogen-bonded Turntrans74.3-2179.400000115.9
229W89Confident72.7Confident19 Ų1995.6 Ų95.67%0.07254%0.536CS..  trans-131.869.4-177.4-65.491.2000112.6K175 K178 W221 F226 P227 N317 I320 A321 E324K175-W229 HydrophobicContact CD-CZ3 4.36Å; K175-W229 HydrophobicContact CG-CZ3 4.12Å; K178-W229 HydrophobicContact CB-CH2 4.47Å; K178-W229 HydrophobicContact CD-CH2 3.89Å; K178-W229 HydrophobicContact CD-CZ2 3.42Å; K178-W229 VanDerWaalsContact CD-CZ2 3.42Å; W221-W229 HydrophobicContact CZ3-CB 3.95Å; W221-W229 HydrophobicContact CZ3-CD2 4.33Å; W221-W229 HydrophobicContact CZ3-CG 4Å; F226-W229 HydrophobicContact CD1-CB 4.27Å; F226-W229 AromaticContact CD1-CD1 3.44Å; F226-W229 VanDerWaalsContact CD1-CD1 3.44Å; F226-W229 HydrophobicContact CD1-CG 4.12Å; F226-W229 AromaticContact CE1-CD1 3.59Å; F226-W229 PolarHBondContact O-N 3.13Å; P227-W229 PolarHBondContact O-N 3.35Å; W229-N317 HydrophobicContact CE3-CB 4.11Å; W229-N317 HydrophobicContact CH2-CB 3.79Å; W229-N317 HydrophobicContact CZ3-CB 3.4Å; W229-N317 VanDerWaalsContact CZ3-CB 3.4Å; W229-N317 VanDerWaalsContact CZ3-CG 3.44Å; W229-I320 HydrophobicContact CH2-CB 4.39Å; W229-I320 HydrophobicContact CH2-CG2 4.43Å; W229-I320 HydrophobicContact CZ2-CB 3.98Å; W229-I320 HydrophobicContact CZ2-CG2 3.77Å; W229-A321 HydrophobicContact CD2-CB 4.16Å; W229-A321 HydrophobicContact CG-CB 4.12Å; W229-A321 HydrophobicContact CZ2-CB 4.31Å; W229-E324 PolarHBondContact NE1-OE2 2.76Å
230P73.4Confident70.7Confident112 Ų11293.3 Ų93.373%0.72754%0.544SS*.  trans-64.6143-178.427.5-34.3000112E232P230-E232 PolarHBondContact O-N 3.34Å
231K69.1Low69.1Low128 Ų12890.7 Ų90.756%0.55754%0.538SS*.  trans-59.1123.4170.8-89.8176.4173.3165.50109.5E222 N223 G224 T233E222-K231 PolarHBondContact O-NZ 3.09Å; N223-K231 PolarHBondContact O-NZ 3.18Å; G224-K231 VanDerWaalsContact CA-CE 3.47Å; K231-T233 PolarHBondContact O-N 2.85Å
232E60.5Low68.2Low150 Ų15089.3 Ų89.370%0.70154%0.542SS*.  trans-61.8101.1172.3-72.9-179.4-172.700109K175 P230 S234K175-E232 IonicContact NZ-OE1 3.61Å; K175-E232 PolarHBondContact NZ-OE1 3.37Å; P230-E232 PolarHBondContact O-N 3.34Å; E232-S234 PolarHBondContact O-N 2.84Å
233T49Very low67.7Low135 Ų13589.3 Ų89.383%0.82854%0.541SS*.  trans-63.299.9165.845.20000107.4K231 S235K231-T233 PolarHBondContact O-N 2.85Å; T233-S235 PolarHBondContact O-N 3.4Å
234S43.1Very low67.3Low117 Ų11785.9 Ų85.982%0.81852%0.523SS*.  trans-55.1109.7174.2-75.70000108.9E232 A236E232-S234 PolarHBondContact O-N 2.84Å; S234-A236 PolarHBondContact O-N 3.26Å; S234-A236 VanDerWaalsContact O-N 3.12Å
235S40.4Very low67.1Low86 Ų8689.6 Ų89.660%0.60154%0.537SS*.  trans-56.8116.9177.3-179.30000109.4T233 L237T233-S235 PolarHBondContact O-N 3.4Å; S235-L237 PolarHBondContact O-N 2.87Å
236A42.2Very low66.8Low102 Ų10286 Ų8684%0.84351%0.514SS*.THydrogen-bonded Turntrans-63.53.3-178.500000114.5S234S234-A236 PolarHBondContact O-N 3.26Å; S234-A236 VanDerWaalsContact O-N 3.12Å
237L44.2Very low66.3Low152 Ų15289.2 Ų89.280%0.79654%0.538SS*.THydrogen-bonded Turntrans-94.9-9-164.6-142.773.4000115.6S235S235-L237 PolarHBondContact O-N 2.87Å
238T50Low65.9Low111 Ų11190.1 Ų90.168%0.68155%0.551SS**SBendtrans-93.4-2-169.949.40000115.8
239H50.8Low65.8Low164 Ų16490.5 Ų90.576%0.75955%0.545SS*.  trans-125.27.4-171.3-70.7-64.6000116.7G241H239-G241 PolarHBondContact O-N 3.46Å
240A53.5Low65.6Low95 Ų9593.9 Ų93.979%0.78557%0.571SS**  trans-80.375.6-174.900000113.5
241G60.8Low66.3Low22 Ų2290 Ų9023%0.22755%0.547CS..PPolyproline II helixtrans-73.9146.7157.600000110.7H239 S265H239-G241 PolarHBondContact O-N 3.46Å; G241-S265 VanDerWaalsContact CA-O 3.26Å; G241-S265 WeakPolarHBondContact CA-O 3.22Å
242A75.5Confident67.3Low39 Ų3987 Ų8732%0.32253%0.532SS..PPolyproline II helixtrans-96.9124.7175.400000110.5L244 S265 A266A242-L244 PolarHBondContact O-N 3.46Å; A242-S265 PolarHBondContact N-O 3.08Å; A242-S265 PolarHBondContact N-OG 3.4Å; A242-A266 WeakPolarHBondContact O-CA 3.5Å
243H78.7Confident68.7Low139 Ų13984.4 Ų84.464%0.64452%0.52SS*.PPolyproline II helixtrans-60136.1176.2-168.1-83.5000110.8
244L82.2Confident70.6Confident23 Ų2381.7 Ų81.712%0.1250%0.498CS..  trans-116.2121.7175.7-178.172.9000108.2A242 L246 L255 L258 A266 L285A242-L244 PolarHBondContact O-N 3.46Å; L244-L246 HydrophobicContact CD2-CD2 3.96Å; L244-L246 HydrophobicContact CG-CD2 4.27Å; L244-L246 PolarHBondContact O-N 2.98Å; L244-L255 HydrophobicContact CD2-CD2 3.77Å; L244-L258 HydrophobicContact CD1-CD1 4.13Å; L244-L258 HydrophobicContact CD2-CD1 3.59Å; L244-L258 HydrophobicContact CG-CD1 4.5Å; L244-A266 HydrophobicContact CB-CB 3.68Å; L244-A266 HydrophobicContact CD2-CB 4.31Å; L244-L285 HydrophobicContact CD2-CD2 3.78Å
245D84.5Confident72.6Confident99 Ų9976.1 Ų76.153%0.52946%0.459SS..  trans-72.1117.8172.5-178.113.7000109.9S247 F249D245-S247 VanDerWaalsContact OD1-CB 3.23Å; D245-S247 WeakPolarHBondContact OD1-CB 3.37Å; D245-S247 PolarHBondContact OD1-N 3.31Å; D245-S247 PolarHBondContact OD1-OG 2.8Å; D245-S247 VanDerWaalsContact OD1-OG 3.12Å; D245-S247 PolarHBondContact OD2-OG 3.26Å; D245-F249 WeakPolarHBondContact O-CE2 3.44Å
246L85Confident74.9Confident16 Ų1672.9 Ų72.98%0.08444%0.437CS..  trans-86.1-9.3-178.8-55.7178.5000112.4L244 A248 F249 L255 L285 K289L244-L246 HydrophobicContact CD2-CD2 3.96Å; L244-L246 HydrophobicContact CG-CD2 4.27Å; L244-L246 PolarHBondContact O-N 2.98Å; L246-A248 PolarHBondContact O-N 2.87Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-L255 HydrophobicContact CD2-CD1 3.96Å; L246-L255 HydrophobicContact CD2-CD2 3.87Å; L246-L285 HydrophobicContact CD1-CG 4.35Å; L246-L285 WeakPolarHBondContact CD1-O 3.43Å; L246-L285 HydrophobicContact CD2-CD1 4.5Å; L246-L285 HydrophobicContact CD2-CD2 4.03Å; L246-L285 HydrophobicContact CD2-CG 3.85Å; L246-K289 HydrophobicContact CB-CB 4.06Å; L246-K289 HydrophobicContact CB-CD 4.17Å; L246-K289 HydrophobicContact CB-CG 3.89Å; L246-K289 HydrophobicContact CD1-CB 4.03Å; L246-K289 WeakPolarHBondContact O-CD 3.31Å; L246-K289 WeakPolarHBondContact O-CE 3.49Å; L246-K289 PolarHBondContact O-NZ 3.3Å
247S82.7Confident77Confident78 Ų7872.7 Ų72.755%0.54543%0.43SS..THydrogen-bonded Turntrans-55.4-39.4-176.674.70000112.4D245 F249 K289D245-S247 VanDerWaalsContact OD1-CB 3.23Å; D245-S247 WeakPolarHBondContact OD1-CB 3.37Å; D245-S247 PolarHBondContact OD1-N 3.31Å; D245-S247 PolarHBondContact OD1-OG 2.8Å; D245-S247 VanDerWaalsContact OD1-OG 3.12Å; D245-S247 PolarHBondContact OD2-OG 3.26Å; S247-F249 VanDerWaalsContact C-N 3.32Å; S247-F249 PolarHBondContact O-N 2.9Å; S247-K289 PolarHBondContact O-NZ 2.6Å
248A81.2Confident79Confident78 Ų7868.4 Ų68.465%0.64541%0.407SS*.THydrogen-bonded Turntrans-72.8-13.8-176.600000115.4L246L246-A248 PolarHBondContact O-N 2.87Å
249F86.5Confident80.7Confident36 Ų3664.3 Ų64.316%0.15839%0.387CS..  trans-102.8122.5-173.1-61.3-86.9000111.5D245 L246 S247 E254 L255 L258 K289D245-F249 WeakPolarHBondContact O-CE2 3.44Å; L246-F249 PolarHBondContact O-N 2.95Å; S247-F249 VanDerWaalsContact C-N 3.32Å; S247-F249 PolarHBondContact O-N 2.9Å; F249-E254 VanDerWaalsContact CA-OE2 3.28Å; F249-E254 WeakPolarHBondContact CA-OE2 3.37Å; F249-E254 HydrophobicContact CD1-CB 3.89Å; F249-L255 HydrophobicContact CB-CD2 4.04Å; F249-L255 HydrophobicContact CB-CG 3.98Å; F249-L255 HydrophobicContact CD1-CD2 3.74Å; F249-L255 HydrophobicContact CD1-CG 4.13Å; F249-L255 HydrophobicContact CD2-CD2 3.51Å; F249-L255 HydrophobicContact CD2-CG 4.39Å; F249-L255 HydrophobicContact CE1-CD2 4.06Å; F249-L255 HydrophobicContact CE2-CD2 3.85Å; F249-L255 HydrophobicContact CG-CD2 3.46Å; F249-L255 VanDerWaalsContact CG-CD2 3.46Å; F249-L255 HydrophobicContact CG-CG 3.9Å; F249-L255 HydrophobicContact CZ-CD2 4.12Å; F249-L258 HydrophobicContact CE1-CD1 3.92Å; F249-L258 HydrophobicContact CE1-CD2 4.12Å; F249-L258 HydrophobicContact CE1-CG 4.1Å; F249-L258 HydrophobicContact CE2-CD1 4.37Å; F249-L258 HydrophobicContact CZ-CD1 3.66Å; F249-L258 HydrophobicContact CZ-CD2 4.07Å; F249-L258 HydrophobicContact CZ-CG 4.21Å; F249-K289 PolarHBondContact O-NZ 2.65Å
250S84.8Confident82.3Confident89 Ų8960 Ų6062%0.62237%0.369SS*.SBendtrans-83.8-20.8-176.877.70000113.5E254S250-E254 PolarHBondContact N-OE2 2.95Å; S250-E254 VanDerWaalsContact OG-CD 3.29Å; S250-E254 PolarHBondContact OG-OE1 2.76Å
251S88.4Confident83.8Confident32 Ų3261.6 Ų61.622%0.22436%0.364CS..SBendtrans-148.5166.5179.888.90000112.3E253 E254S251-E253 VanDerWaalsContact C-N 3.27Å; S251-E253 WeakPolarHBondContact CB-OE2 3.11Å; S251-E253 PolarHBondContact O-N 3.36Å; S251-E253 PolarHBondContact OG-N 2.98Å; S251-E253 PolarHBondContact OG-OE2 2.71Å; S251-E254 PolarHBondContact O-N 3.33Å; S251-E254 PolarHBondContact OG-N 3.31Å
252W89.5Confident85Confident64 Ų6465.7 Ų65.724%0.24237%0.373CS..Hα-helixtrans-71.4-25.4176.967.4-89000111.7E254 L255 A256 E279 A282 Q283 F286W252-E254 VanDerWaalsContact C-N 3.31Å; W252-E254 PolarHBondContact O-N 3.06Å; W252-L255 WeakPolarHBondContact O-CB 3.31Å; W252-L255 PolarHBondContact O-N 3.42Å; W252-A256 HydrophobicContact CE3-CB 4.48Å; W252-A256 WeakPolarHBondContact O-CB 3.34Å; W252-A256 PolarHBondContact O-N 3.47Å; W252-E279 HydrophobicContact CH2-CB 4.32Å; W252-E279 HydrophobicContact CH2-CG 4.28Å; W252-E279 HydrophobicContact CZ3-CB 3.8Å; W252-E279 HydrophobicContact CZ3-CG 3.88Å; W252-A282 HydrophobicContact CE3-CB 4.25Å; W252-Q283 HydrophobicContact CB-CG 4.16Å; W252-Q283 HydrophobicContact CD2-CG 3.64Å; W252-Q283 HydrophobicContact CE3-CG 3.97Å; W252-Q283 HydrophobicContact CG-CG 3.71Å; W252-F286 HydrophobicContact CB-CB 3.83Å; W252-F286 HydrophobicContact CB-CD1 4.3Å; W252-F286 HydrophobicContact CB-CG 3.99Å
253E89.8Confident85.5Confident96 Ų9663.9 Ų63.945%0.44936%0.358SS..Hα-helixtrans-62.7-36.8173.8-60.584.3168.400111.4S251 A256 S257S251-E253 VanDerWaalsContact C-N 3.27Å; S251-E253 WeakPolarHBondContact CB-OE2 3.11Å; S251-E253 PolarHBondContact O-N 3.36Å; S251-E253 PolarHBondContact OG-N 2.98Å; S251-E253 PolarHBondContact OG-OE2 2.71Å; E253-A256 WeakPolarHBondContact O-CB 3.32Å; E253-A256 PolarHBondContact O-N 3.14Å; E253-S257 PolarHBondContact O-N 2.84Å
254E87.9Confident85.9Confident78 Ų7861.8 Ų61.836%0.36435%0.347SS..Hα-helixtrans-67-39.1172.5-66.8-180-178.700111.7F249 S250 S251 W252 A256 S257F249-E254 VanDerWaalsContact CA-OE2 3.28Å; F249-E254 WeakPolarHBondContact CA-OE2 3.37Å; F249-E254 HydrophobicContact CD1-CB 3.89Å; S250-E254 PolarHBondContact N-OE2 2.95Å; S250-E254 VanDerWaalsContact OG-CD 3.29Å; S250-E254 PolarHBondContact OG-OE1 2.76Å; S251-E254 PolarHBondContact O-N 3.33Å; S251-E254 PolarHBondContact OG-N 3.31Å; W252-E254 VanDerWaalsContact C-N 3.31Å; W252-E254 PolarHBondContact O-N 3.06Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 3.37Å; E254-S257 WeakPolarHBondContact O-CB 3.38Å; E254-S257 PolarHBondContact O-N 2.87Å; E254-S257 PolarHBondContact O-OG 3.37Å
255L87.1Confident86.1Confident0 Ų062.3 Ų62.30%035%0.353CS..Hα-helixtrans-66.1-36.1174.5-76.8178000112.6L244 L246 F249 W252 S257 L258 L263 A282 F286L244-L255 HydrophobicContact CD2-CD2 3.77Å; L246-L255 HydrophobicContact CD2-CD1 3.96Å; L246-L255 HydrophobicContact CD2-CD2 3.87Å; F249-L255 HydrophobicContact CB-CD2 4.04Å; F249-L255 HydrophobicContact CB-CG 3.98Å; F249-L255 HydrophobicContact CD1-CD2 3.74Å; F249-L255 HydrophobicContact CD1-CG 4.13Å; F249-L255 HydrophobicContact CD2-CD2 3.51Å; F249-L255 HydrophobicContact CD2-CG 4.39Å; F249-L255 HydrophobicContact CE1-CD2 4.06Å; F249-L255 HydrophobicContact CE2-CD2 3.85Å; F249-L255 HydrophobicContact CG-CD2 3.46Å; F249-L255 VanDerWaalsContact CG-CD2 3.46Å; F249-L255 HydrophobicContact CG-CG 3.9Å; F249-L255 HydrophobicContact CZ-CD2 4.12Å; W252-L255 WeakPolarHBondContact O-CB 3.31Å; W252-L255 PolarHBondContact O-N 3.42Å; L255-S257 PolarHBondContact O-N 2.89Å; L255-L258 HydrophobicContact CD2-CD1 3.86Å; L255-L258 WeakPolarHBondContact O-CB 3.42Å; L255-L258 PolarHBondContact O-N 3.41Å; L255-L258 VanDerWaalsContact O-N 3.1Å; L255-L263 HydrophobicContact CB-CD2 4.25Å; L255-A282 HydrophobicContact CB-CB 4.23Å; L255-F286 HydrophobicContact CD1-CB 3.77Å; L255-F286 HydrophobicContact CD1-CD2 3.65Å; L255-F286 HydrophobicContact CD1-CG 4.2Å; L255-F286 HydrophobicContact CG-CD2 4.41Å
256A88.3Confident86.2Confident17 Ų1757.7 Ų57.714%0.1433%0.328CS..Hα-helixtrans-57.8-34.8175.700000111.5W252 E253 E254 L258 G259 L278 A282W252-A256 HydrophobicContact CE3-CB 4.48Å; W252-A256 WeakPolarHBondContact O-CB 3.34Å; W252-A256 PolarHBondContact O-N 3.47Å; E253-A256 WeakPolarHBondContact O-CB 3.32Å; E253-A256 PolarHBondContact O-N 3.14Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 3.37Å; A256-L258 PolarHBondContact O-N 3.41Å; A256-L258 VanDerWaalsContact O-N 3.16Å; A256-G259 PolarHBondContact O-N 2.86Å; A256-G259 VanDerWaalsContact O-N 3.15Å; A256-L278 HydrophobicContact CB-CD2 3.4Å; A256-L278 VanDerWaalsContact CB-CD2 3.4Å; A256-L278 WeakPolarHBondContact O-CD2 3.45Å; A256-A282 HydrophobicContact CB-CB 3.99Å
257S86.3Confident86.3Confident98 Ų9856.9 Ų56.969%0.68532%0.324SS*.THydrogen-bonded Turntrans-63.3-18.9177.579.60000114.6E253 E254 L255 G259E253-S257 PolarHBondContact O-N 2.84Å; E254-S257 WeakPolarHBondContact O-CB 3.38Å; E254-S257 PolarHBondContact O-N 2.87Å; E254-S257 PolarHBondContact O-OG 3.37Å; L255-S257 PolarHBondContact O-N 2.89Å; S257-G259 PolarHBondContact O-N 2.99Å
258L85.9Confident86.4Confident63 Ų6357.6 Ų57.633%0.3332%0.321SS..THydrogen-bonded Turntrans-72.3-13176.6-61.6175.9000113.7L244 F249 L255 A256 R262L244-L258 HydrophobicContact CD1-CD1 4.13Å; L244-L258 HydrophobicContact CD2-CD1 3.59Å; L244-L258 HydrophobicContact CG-CD1 4.5Å; F249-L258 HydrophobicContact CE1-CD1 3.92Å; F249-L258 HydrophobicContact CE1-CD2 4.12Å; F249-L258 HydrophobicContact CE1-CG 4.1Å; F249-L258 HydrophobicContact CE2-CD1 4.37Å; F249-L258 HydrophobicContact CZ-CD1 3.66Å; F249-L258 HydrophobicContact CZ-CD2 4.07Å; F249-L258 HydrophobicContact CZ-CG 4.21Å; L255-L258 HydrophobicContact CD2-CD1 3.86Å; L255-L258 WeakPolarHBondContact O-CB 3.42Å; L255-L258 PolarHBondContact O-N 3.41Å; L255-L258 VanDerWaalsContact O-N 3.1Å; A256-L258 PolarHBondContact O-N 3.41Å; A256-L258 VanDerWaalsContact O-N 3.16Å; L258-R262 HydrophobicContact CB-CB 4.09Å; L258-R262 HydrophobicContact CB-CG 4.15Å; L258-R262 HydrophobicContact CD1-CG 4.28Å
259G84.8Confident86.6Confident24 Ų2455.8 Ų55.825%0.24731%0.306CS..  trans83.2166.9179.500000114.6A256 S257 D261 R262 L263A256-G259 PolarHBondContact O-N 2.86Å; A256-G259 VanDerWaalsContact O-N 3.15Å; S257-G259 PolarHBondContact O-N 2.99Å; G259-D261 PolarHBondContact O-N 3.27Å; G259-R262 PolarHBondContact O-N 3.37Å; G259-L263 WeakPolarHBondContact O-CG 3.4Å; G259-L263 PolarHBondContact O-N 2.76Å
260L85.6Confident86.3Confident74 Ų7455.7 Ų55.739%0.38731%0.307SS..Hα-helixtrans-68-34.9-167-164141.5000113.3K264 L278L260-K264 WeakPolarHBondContact O-CB 3.48Å; L260-K264 PolarHBondContact O-N 3.28Å; L260-L278 HydrophobicContact CB-CD1 4.3Å; L260-L278 HydrophobicContact CD1-CB 4.44Å
261D84.2Confident86.2Confident128 Ų12853.2 Ų53.268%0.68430%0.296SS*.Hα-helixtrans-70.7-42.1-179.3-68-52.5000112.4G259 K264 S265G259-D261 PolarHBondContact O-N 3.27Å; D261-K264 PolarHBondContact O-N 3.14Å; D261-S265 WeakPolarHBondContact O-CB 3.37Å; D261-S265 PolarHBondContact O-N 2.78Å
262R86.1Confident86Confident109 Ų10951.8 Ų51.841%0.41129%0.286SS..Hα-helixtrans-66.1-42.9179.1-169.964.6179.8177.75.8111.1L258 G259 S265 A266L258-R262 HydrophobicContact CB-CB 4.09Å; L258-R262 HydrophobicContact CB-CG 4.15Å; L258-R262 HydrophobicContact CD1-CG 4.28Å; G259-R262 PolarHBondContact O-N 3.37Å; R262-S265 PolarHBondContact O-N 3.46Å; R262-A266 WeakPolarHBondContact O-CB 3.31Å; R262-A266 PolarHBondContact O-N 3.2Å
263L86.7Confident85.7Confident0 Ų053.3 Ų53.30%029%0.294CS..Hα-helixtrans-63-41.5174.9-66.9174.6000111.9L255 G259 A266 L267 L278 R281 A282 L285L255-L263 HydrophobicContact CB-CD2 4.25Å; G259-L263 WeakPolarHBondContact O-CG 3.4Å; G259-L263 PolarHBondContact O-N 2.76Å; L263-A266 PolarHBondContact O-N 3.23Å; L263-L267 WeakPolarHBondContact O-CB 3.37Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.49Å; L263-L267 PolarHBondContact O-N 3.32Å; L263-L278 HydrophobicContact CD1-CG 4.25Å; L263-R281 HydrophobicContact CB-CB 4.22Å; L263-R281 HydrophobicContact CD1-CB 4.22Å; L263-A282 HydrophobicContact CD1-CB 3.87Å; L263-A282 HydrophobicContact CD2-CB 4.4Å; L263-L285 HydrophobicContact CD2-CD2 3.61Å
264K86.3Confident85.4Confident96 Ų9650 Ų5042%0.41728%0.281SS..Hα-helixtrans-60.7-47.1175.2-175.2-177.8175.3-173.10111.3L260 D261 A266 L267 L268 C274L260-K264 WeakPolarHBondContact O-CB 3.48Å; L260-K264 PolarHBondContact O-N 3.28Å; D261-K264 PolarHBondContact O-N 3.14Å; K264-A266 PolarHBondContact O-N 2.93Å; K264-L267 PolarHBondContact O-N 3.03Å; K264-L268 HydrophobicContact CG-CD1 4.18Å; K264-L268 WeakPolarHBondContact O-CB 3.38Å; K264-L268 VanDerWaalsContact O-CG 3.29Å; K264-L268 WeakPolarHBondContact O-CG 3.32Å; K264-L268 PolarHBondContact O-N 2.96Å; K264-C274 HydrophobicContact CG-CB 4.26Å
265S86.1Confident85.2Confident34 Ų3448.4 Ų48.424%0.23829%0.285CS..Hα-helixtrans-61.7-42.8179.5-169.30000112G241 A242 D261 R262 L268 A269G241-S265 VanDerWaalsContact CA-O 3.26Å; G241-S265 WeakPolarHBondContact CA-O 3.22Å; A242-S265 PolarHBondContact N-O 3.08Å; A242-S265 PolarHBondContact N-OG 3.4Å; D261-S265 WeakPolarHBondContact O-CB 3.37Å; D261-S265 PolarHBondContact O-N 2.78Å; R262-S265 PolarHBondContact O-N 3.46Å; S265-L268 PolarHBondContact O-N 3.46Å; S265-A269 PolarHBondContact O-N 3.04Å
266A86.3Confident85Confident1 Ų150.1 Ų50.11%0.00830%0.303CS..Hα-helixtrans-68.1-40.2177.500000113.1A242 L244 R262 L263 K264 A269 L270 L285A242-A266 WeakPolarHBondContact O-CA 3.5Å; L244-A266 HydrophobicContact CB-CB 3.68Å; L244-A266 HydrophobicContact CD2-CB 4.31Å; R262-A266 WeakPolarHBondContact O-CB 3.31Å; R262-A266 PolarHBondContact O-N 3.2Å; L263-A266 PolarHBondContact O-N 3.23Å; K264-A266 PolarHBondContact O-N 2.93Å; A266-A269 WeakPolarHBondContact O-CB 3.3Å; A266-A269 PolarHBondContact O-N 2.7Å; A266-L270 PolarHBondContact O-N 2.61Å; A266-L285 HydrophobicContact CB-CD1 3.95Å; A266-L285 HydrophobicContact CB-CD2 3.61Å; A266-L285 HydrophobicContact CB-CG 4.46Å
267L88.1Confident85Confident0 Ų052.8 Ų52.80%032%0.318CS..Hα-helixtrans-65.1-40.7174.4-73.5169.5000111.8L263 K264 A269 L270 G271 L272 R281 R284 L285L263-L267 WeakPolarHBondContact O-CB 3.37Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.49Å; L263-L267 PolarHBondContact O-N 3.32Å; K264-L267 PolarHBondContact O-N 3.03Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-L270 CarbonylContact O-C 3.59Å; L267-L270 PolarHBondContact O-N 2.63Å; L267-G271 PolarHBondContact O-N 3.23Å; L267-L272 HydrophobicContact CB-CB 4.37Å; L267-L272 HydrophobicContact CD2-CB 3.8Å; L267-L272 HydrophobicContact CD2-CD1 3.83Å; L267-L272 HydrophobicContact CD2-CG 4.48Å; L267-L272 PolarHBondContact O-N 2.97Å; L267-R281 HydrophobicContact CD1-CB 3.82Å; L267-R281 HydrophobicContact CD1-CG 3.96Å; L267-R284 HydrophobicContact CD2-CB 4.33Å; L267-R284 HydrophobicContact CD2-CG 4.04Å; L267-L285 HydrophobicContact CD2-CB 4.01Å; L267-L285 HydrophobicContact CD2-CD1 4.1Å; L267-L285 HydrophobicContact CG-CB 4.39Å; L267-L285 HydrophobicContact CG-CD1 4.39Å
268L85Confident85.1Confident93 Ų9351 Ų5149%0.48730%0.3SS..Hα-helixtrans-62.3-40.1173.9-74.9173.7000111.6K264 S265 L270 G271 C274K264-L268 HydrophobicContact CG-CD1 4.18Å; K264-L268 WeakPolarHBondContact O-CB 3.38Å; K264-L268 VanDerWaalsContact O-CG 3.29Å; K264-L268 WeakPolarHBondContact O-CG 3.32Å; K264-L268 PolarHBondContact O-N 2.96Å; S265-L268 PolarHBondContact O-N 3.46Å; L268-L270 PolarHBondContact O-N 3.14Å; L268-G271 PolarHBondContact O-N 3.26Å; L268-G271 VanDerWaalsContact O-N 3.07Å; L268-C274 VanDerWaalsContact CG-SG 3.58Å
269A84Confident85.3Confident40 Ų4053.4 Ų53.433%0.33131%0.31SS..Hα-helixtrans-60.3-29.9177.400000112.5S265 A266 L267S265-A269 PolarHBondContact O-N 3.04Å; A266-A269 WeakPolarHBondContact O-CB 3.3Å; A266-A269 PolarHBondContact O-N 2.7Å; L267-A269 VanDerWaalsContact C-N 3.33Å
270L82.1Confident85.6Confident33 Ų3356.7 Ų56.717%0.17332%0.319CS..THydrogen-bonded Turntrans-95.61.7178.2-63.9175.2000113.6A266 L267 L268 L272 L285 L293A266-L270 PolarHBondContact O-N 2.61Å; L267-L270 CarbonylContact O-C 3.59Å; L267-L270 PolarHBondContact O-N 2.63Å; L268-L270 PolarHBondContact O-N 3.14Å; L270-L272 HydrophobicContact CB-CD1 3.64Å; L270-L272 HydrophobicContact CB-CG 3.9Å; L270-L272 HydrophobicContact CD1-CD1 3.85Å; L270-L272 HydrophobicContact CG-CD1 4.42Å; L270-L272 PolarHBondContact O-N 3.49Å; L270-L285 HydrophobicContact CD1-CD1 3.78Å; L270-L293 HydrophobicContact CB-CD2 4.37Å; L270-L293 HydrophobicContact CD2-CD1 4.47Å; L270-L293 HydrophobicContact CD2-CD2 4.31Å
271G81Confident85.8Confident38 Ų3854.8 Ų54.839%0.39231%0.307SS..THydrogen-bonded Turntrans69.615.5-176.700000114.9L267 L268 A302L267-G271 PolarHBondContact O-N 3.23Å; L268-G271 PolarHBondContact O-N 3.26Å; L268-G271 VanDerWaalsContact O-N 3.07Å; G271-A302 PolarHBondContact O-N 3.35Å; G271-A302 VanDerWaalsContact O-N 3.16Å
272L84Confident86Confident2 Ų248.7 Ų48.71%0.0127%0.274CS..BIsolated β-bridgetrans-85.5155.3-176-64164.7000111.6L267 L270 C274 T288 L296 L300 F301L267-L272 HydrophobicContact CB-CB 4.37Å; L267-L272 HydrophobicContact CD2-CB 3.8Å; L267-L272 HydrophobicContact CD2-CD1 3.83Å; L267-L272 HydrophobicContact CD2-CG 4.48Å; L267-L272 PolarHBondContact O-N 2.97Å; L270-L272 HydrophobicContact CB-CD1 3.64Å; L270-L272 HydrophobicContact CB-CG 3.9Å; L270-L272 HydrophobicContact CD1-CD1 3.85Å; L270-L272 HydrophobicContact CG-CD1 4.42Å; L270-L272 PolarHBondContact O-N 3.49Å; L272-C274 PolarHBondContact O-N 2.89Å; L272-C274 PolarHBondContact O-SG 2.87Å; L272-T288 HydrophobicContact CD1-CG2 3.7Å; L272-L296 HydrophobicContact CD2-CD1 4.36Å; L272-L300 WeakPolarHBondContact CA-O 3.46Å; L272-L300 HydrophobicContact CD2-CB 3.75Å; L272-F301 HydrophobicContact CD2-CD1 4.31Å; L272-F301 HydrophobicContact CD2-CE1 4.23Å; L272-F301 HydrophobicContact CD2-CZ 4.4Å
273K84.9Confident86.3Confident95 Ų9548 Ų4841%0.41328%0.275SS..  trans-57.4133.9173.1-72.9172.8178.3170.60110.2R284 S299 L300 F301K273-R284 VanDerWaalsContact O-CD 3.29Å; K273-R284 WeakPolarHBondContact O-CD 3.29Å; K273-R284 PolarHBondContact O-NH1 3.08Å; K273-S299 WeakPolarHBondContact CE-O 3.41Å; K273-S299 PolarHBondContact NZ-O 3.15Å; K273-L300 WeakPolarHBondContact CG-O 3.48Å; K273-L300 PolarHBondContact N-O 3.4Å; K273-F301 WeakPolarHBondContact CE-O 3.47Å
274C83.3Confident86.4Confident27 Ų2750.1 Ų50.118%0.18228%0.283CS..  trans-103.96.4-178.6-64.60000113.9K264 L268 L272 R281K264-C274 HydrophobicContact CG-CB 4.26Å; L268-C274 VanDerWaalsContact CG-SG 3.58Å; L272-C274 PolarHBondContact O-N 2.89Å; L272-C274 PolarHBondContact O-SG 2.87Å; C274-R281 PolarHBondContact O-NE 2.88Å; C274-R281 PolarHBondContact O-NH2 3.23Å; C274-R281 VanDerWaalsContact O-NH2 3.15Å
275G82Confident86.6Confident44 Ų4445.7 Ų45.745%0.45426%0.264SS..  trans-76.9164.2179.200000113.2R284G275-R284 PolarHBondContact O-NH1 3.5Å; G275-R284 PolarHBondContact O-NH2 3.2Å
276G84.6Confident86.8Confident37 Ų3746.7 Ų46.738%0.38126%0.264SS..SBendtrans105.2176.8174.700000115.6E280 R281G276-E280 VanDerWaalsContact C-OE2 3.32Å; G276-E280 WeakPolarHBondContact CA-OE2 3.43Å; G276-R281 PolarHBondContact O-NE 2.97Å
277T88.4Confident86.9Confident73 Ų7348.8 Ų48.845%0.44828%0.279SS..  trans-63.9164.5174.870.90000110.8E279 E280 R281T277-E279 PolarHBondContact O-N 3.2Å; T277-E280 PolarHBondContact N-OE2 3.37Å; T277-E280 PolarHBondContact O-N 3.19Å; T277-E280 WeakPolarHBondContact OG1-CG 3.4Å; T277-E280 PolarHBondContact OG1-N 3.47Å; T277-E280 VanDerWaalsContact OG1-N 3.15Å; T277-R281 WeakPolarHBondContact O-CG 3.39Å; T277-R281 PolarHBondContact O-N 3.43Å
278L88Confident86.9Confident60 Ų6049.4 Ų49.431%0.31428%0.282SS..Hα-helixtrans-57-39.3175.6-178.7153.2000111.1A256 L260 L263 R281 A282A256-L278 HydrophobicContact CB-CD2 3.4Å; A256-L278 VanDerWaalsContact CB-CD2 3.4Å; A256-L278 WeakPolarHBondContact O-CD2 3.45Å; L260-L278 HydrophobicContact CB-CD1 4.3Å; L260-L278 HydrophobicContact CD1-CB 4.44Å; L263-L278 HydrophobicContact CD1-CG 4.25Å; L278-R281 PolarHBondContact O-N 3.33Å; L278-A282 WeakPolarHBondContact O-CB 3.38Å; L278-A282 PolarHBondContact O-N 3.39Å
279E89.5Confident86.9Confident114 Ų11448.4 Ų48.453%0.53327%0.274SS..Hα-helixtrans-62.8-47.9175.2-56177.5173.300111.7W252 T277 R281 A282 Q283W252-E279 HydrophobicContact CH2-CB 4.32Å; W252-E279 HydrophobicContact CH2-CG 4.28Å; W252-E279 HydrophobicContact CZ3-CB 3.8Å; W252-E279 HydrophobicContact CZ3-CG 3.88Å; T277-E279 PolarHBondContact O-N 3.2Å; E279-R281 VanDerWaalsContact C-N 3.31Å; E279-R281 PolarHBondContact O-N 3.03Å; E279-A282 PolarHBondContact O-N 3.21Å; E279-Q283 WeakPolarHBondContact O-CB 3.5Å; E279-Q283 WeakPolarHBondContact O-CG 3.47Å; E279-Q283 PolarHBondContact O-N 3.45Å
280E90.6Very high86.7Confident93 Ų9350.6 Ų50.644%0.43530%0.301SS..Hα-helixtrans-62.5-37.4178.6-72.4173.1159.700112.2G276 T277 R284G276-E280 VanDerWaalsContact C-OE2 3.32Å; G276-E280 WeakPolarHBondContact CA-OE2 3.43Å; T277-E280 PolarHBondContact N-OE2 3.37Å; T277-E280 PolarHBondContact O-N 3.19Å; T277-E280 WeakPolarHBondContact OG1-CG 3.4Å; T277-E280 PolarHBondContact OG1-N 3.47Å; T277-E280 VanDerWaalsContact OG1-N 3.15Å; E280-R284 WeakPolarHBondContact O-CB 3.27Å; E280-R284 PolarHBondContact O-N 3.28Å
281R89.9Confident86.8Confident34 Ų3454.9 Ų54.913%0.12832%0.318CS..Hα-helixtrans-69-42.2175.3-68.2-179.3-163.5-159.60.2111.6L263 L267 C274 G276 T277 L278 E279 R284 L285L263-R281 HydrophobicContact CB-CB 4.22Å; L263-R281 HydrophobicContact CD1-CB 4.22Å; L267-R281 HydrophobicContact CD1-CB 3.82Å; L267-R281 HydrophobicContact CD1-CG 3.96Å; C274-R281 PolarHBondContact O-NE 2.88Å; C274-R281 PolarHBondContact O-NH2 3.23Å; C274-R281 VanDerWaalsContact O-NH2 3.15Å; G276-R281 PolarHBondContact O-NE 2.97Å; T277-R281 WeakPolarHBondContact O-CG 3.39Å; T277-R281 PolarHBondContact O-N 3.43Å; L278-R281 PolarHBondContact O-N 3.33Å; E279-R281 VanDerWaalsContact C-N 3.31Å; E279-R281 PolarHBondContact O-N 3.03Å; R281-R284 PolarHBondContact O-N 2.67Å; R281-L285 WeakPolarHBondContact O-CB 3.4Å; R281-L285 PolarHBondContact O-N 2.97Å
282A89.7Confident86.6Confident0 Ų056.4 Ų56.40%032%0.323CS..Hα-helixtrans-64.3-45.5177.400000111.1W252 L255 A256 L263 L278 E279 L285 F286W252-A282 HydrophobicContact CE3-CB 4.25Å; L255-A282 HydrophobicContact CB-CB 4.23Å; A256-A282 HydrophobicContact CB-CB 3.99Å; L263-A282 HydrophobicContact CD1-CB 3.87Å; L263-A282 HydrophobicContact CD2-CB 4.4Å; L278-A282 WeakPolarHBondContact O-CB 3.38Å; L278-A282 PolarHBondContact O-N 3.39Å; E279-A282 PolarHBondContact O-N 3.21Å; A282-L285 PolarHBondContact O-N 3.08Å; A282-F286 VanDerWaalsContact O-CB 3.24Å; A282-F286 WeakPolarHBondContact O-CB 3.42Å; A282-F286 PolarHBondContact O-N 2.91Å
283Q90.7Very high86.2Confident93 Ų9360.5 Ų60.544%0.43534%0.344SS..Hα-helixtrans-62.4-43.3174.6-72.4176.61.900111.9W252 E279 F286 S287W252-Q283 HydrophobicContact CB-CG 4.16Å; W252-Q283 HydrophobicContact CD2-CG 3.64Å; W252-Q283 HydrophobicContact CE3-CG 3.97Å; W252-Q283 HydrophobicContact CG-CG 3.71Å; E279-Q283 WeakPolarHBondContact O-CB 3.5Å; E279-Q283 WeakPolarHBondContact O-CG 3.47Å; E279-Q283 PolarHBondContact O-N 3.45Å; Q283-F286 PolarHBondContact O-N 3.42Å; Q283-S287 VanDerWaalsContact O-CB 3.32Å; Q283-S287 WeakPolarHBondContact O-CB 3.5Å; Q283-S287 PolarHBondContact O-N 3.27Å
284R90.1Very high85.8Confident46 Ų4665 Ų6517%0.17437%0.367CS..Hα-helixtrans-61.3-46.5176.8-171.6-178-54.1121.111.8111.6L267 K273 G275 E280 R281 S287 L300L267-R284 HydrophobicContact CD2-CB 4.33Å; L267-R284 HydrophobicContact CD2-CG 4.04Å; K273-R284 VanDerWaalsContact O-CD 3.29Å; K273-R284 WeakPolarHBondContact O-CD 3.29Å; K273-R284 PolarHBondContact O-NH1 3.08Å; G275-R284 PolarHBondContact O-NH1 3.5Å; G275-R284 PolarHBondContact O-NH2 3.2Å; E280-R284 WeakPolarHBondContact O-CB 3.27Å; E280-R284 PolarHBondContact O-N 3.28Å; R281-R284 PolarHBondContact O-N 2.67Å; R284-S287 PolarHBondContact O-N 3.32Å; R284-S287 PolarHBondContact O-OG 2.88Å; R284-L300 HydrophobicContact CG-CD2 4.42Å
285L90.4Very high85.5Confident2 Ų267 Ų671%0.0138%0.381CS..Hα-helixtrans-67.7-41.4177.4-171.965.9000111.3L244 L246 L263 A266 L267 L270 R281 A282 S287 T288L244-L285 HydrophobicContact CD2-CD2 3.78Å; L246-L285 HydrophobicContact CD1-CG 4.35Å; L246-L285 WeakPolarHBondContact CD1-O 3.43Å; L246-L285 HydrophobicContact CD2-CD1 4.5Å; L246-L285 HydrophobicContact CD2-CD2 4.03Å; L246-L285 HydrophobicContact CD2-CG 3.85Å; L263-L285 HydrophobicContact CD2-CD2 3.61Å; A266-L285 HydrophobicContact CB-CD1 3.95Å; A266-L285 HydrophobicContact CB-CD2 3.61Å; A266-L285 HydrophobicContact CB-CG 4.46Å; L267-L285 HydrophobicContact CD2-CB 4.01Å; L267-L285 HydrophobicContact CD2-CD1 4.1Å; L267-L285 HydrophobicContact CG-CB 4.39Å; L267-L285 HydrophobicContact CG-CD1 4.39Å; L270-L285 HydrophobicContact CD1-CD1 3.78Å; R281-L285 WeakPolarHBondContact O-CB 3.4Å; R281-L285 PolarHBondContact O-N 2.97Å; A282-L285 PolarHBondContact O-N 3.08Å; L285-S287 VanDerWaalsContact C-N 3.27Å; L285-S287 PolarHBondContact O-N 2.77Å; L285-T288 PolarHBondContact O-N 2.85Å; L285-T288 PolarHBondContact O-OG1 3.39Å
286F90.3Very high85.3Confident56 Ų5665.6 Ų65.625%0.24636%0.363CS..Hα-helixtrans-63.6-34176-163.5-105.8000112W252 L255 A282 Q283 T288 K289W252-F286 HydrophobicContact CB-CB 3.83Å; W252-F286 HydrophobicContact CB-CD1 4.3Å; W252-F286 HydrophobicContact CB-CG 3.99Å; L255-F286 HydrophobicContact CD1-CB 3.77Å; L255-F286 HydrophobicContact CD1-CD2 3.65Å; L255-F286 HydrophobicContact CD1-CG 4.2Å; L255-F286 HydrophobicContact CG-CD2 4.41Å; A282-F286 VanDerWaalsContact O-CB 3.24Å; A282-F286 WeakPolarHBondContact O-CB 3.42Å; A282-F286 PolarHBondContact O-N 2.91Å; Q283-F286 PolarHBondContact O-N 3.42Å; F286-T288 PolarHBondContact O-N 3.43Å; F286-T288 VanDerWaalsContact O-N 3.11Å; F286-K289 HydrophobicContact CD2-CD 4.43Å; F286-K289 HydrophobicContact CE2-CD 3.91Å; F286-K289 HydrophobicContact CZ-CD 4.31Å; F286-K289 WeakPolarHBondContact O-CB 3.35Å; F286-K289 PolarHBondContact O-N 2.72Å
287S88Confident84.9Confident44 Ų4468.6 Ų68.631%0.30837%0.37SS..THydrogen-bonded Turntrans-63-17.6179.381.30000114.1Q283 R284 L285 K291Q283-S287 VanDerWaalsContact O-CB 3.32Å; Q283-S287 WeakPolarHBondContact O-CB 3.5Å; Q283-S287 PolarHBondContact O-N 3.27Å; R284-S287 PolarHBondContact O-N 3.32Å; R284-S287 PolarHBondContact O-OG 2.88Å; L285-S287 VanDerWaalsContact C-N 3.27Å; L285-S287 PolarHBondContact O-N 2.77Å; S287-K291 WeakPolarHBondContact O-CD 3.41Å; S287-K291 PolarHBondContact O-NZ 3.18Å
288T87.5Confident84.4Confident13 Ų1370.9 Ų70.98%0.0838%0.384CS..THydrogen-bonded Turntrans-91.4-7.7175.172.20000113.3L272 L285 F286 G290 K291 L296L272-T288 HydrophobicContact CD1-CG2 3.7Å; L285-T288 PolarHBondContact O-N 2.85Å; L285-T288 PolarHBondContact O-OG1 3.39Å; F286-T288 PolarHBondContact O-N 3.43Å; F286-T288 VanDerWaalsContact O-N 3.11Å; T288-G290 PolarHBondContact O-N 3.43Å; T288-G290 VanDerWaalsContact O-N 3.17Å; T288-K291 PolarHBondContact O-N 3.05Å; T288-K291 VanDerWaalsContact O-N 3.1Å; T288-L296 HydrophobicContact CG2-CD1 3.54Å; T288-L296 HydrophobicContact CG2-CD2 3.85Å; T288-L296 HydrophobicContact CG2-CG 4.37Å
289K86.4Confident84Confident72 Ų7271 Ų7131%0.31339%0.39SS..THydrogen-bonded Turntrans-58.8119.9176.1-173.7176.4-179.9169.40110.1L246 S247 F249 F286 K291L246-K289 HydrophobicContact CB-CB 4.06Å; L246-K289 HydrophobicContact CB-CD 4.17Å; L246-K289 HydrophobicContact CB-CG 3.89Å; L246-K289 HydrophobicContact CD1-CB 4.03Å; L246-K289 WeakPolarHBondContact O-CD 3.31Å; L246-K289 WeakPolarHBondContact O-CE 3.49Å; L246-K289 PolarHBondContact O-NZ 3.3Å; S247-K289 PolarHBondContact O-NZ 2.6Å; F249-K289 PolarHBondContact O-NZ 2.65Å; F286-K289 HydrophobicContact CD2-CD 4.43Å; F286-K289 HydrophobicContact CE2-CD 3.91Å; F286-K289 HydrophobicContact CZ-CD 4.31Å; F286-K289 WeakPolarHBondContact O-CB 3.35Å; F286-K289 PolarHBondContact O-N 2.72Å; K289-K291 VanDerWaalsContact C-N 3.3Å; K289-K291 PolarHBondContact O-N 3.29Å
290G79.4Confident83.3Confident87 Ų8767.5 Ų67.590%0.89738%0.375SS*.THydrogen-bonded Turntrans76.57178.700000115.5T288T288-G290 PolarHBondContact O-N 3.43Å; T288-G290 VanDerWaalsContact O-N 3.17Å
291K84.3Confident82.9Confident122 Ų12265.8 Ų65.853%0.5337%0.366SS..  trans-109.1142.6176-67.1-174.4-171.3164.90111S287 T288 K289 L296S287-K291 WeakPolarHBondContact O-CD 3.41Å; S287-K291 PolarHBondContact O-NZ 3.18Å; T288-K291 PolarHBondContact O-N 3.05Å; T288-K291 VanDerWaalsContact O-N 3.1Å; K289-K291 VanDerWaalsContact C-N 3.3Å; K289-K291 PolarHBondContact O-N 3.29Å; K291-L296 HydrophobicContact CB-CD2 4.09Å; K291-L296 HydrophobicContact CD-CD2 3.98Å
292S77Confident81.9Confident70 Ų7067.2 Ų67.249%0.4939%0.386SS..  trans-73.1149169.463.70000110.2E294 S295S292-E294 PolarHBondContact O-N 2.97Å; S292-E294 VanDerWaalsContact O-N 3.12Å; S292-S295 PolarHBondContact N-OG 2.77Å; S292-S295 PolarHBondContact O-N 3.18Å; S292-S295 PolarHBondContact O-OG 3.02Å; S292-S295 PolarHBondContact OG-OG 2.84Å
293L74.6Confident80.6Confident88 Ų8876.3 Ų76.346%0.46143%0.425SS..G310 helixtrans-54.3-31.5178.3-84.1151.8000112.8L270 S295 L296 F301L270-L293 HydrophobicContact CB-CD2 4.37Å; L270-L293 HydrophobicContact CD2-CD1 4.47Å; L270-L293 HydrophobicContact CD2-CD2 4.31Å; L293-S295 VanDerWaalsContact C-N 3.34Å; L293-L296 HydrophobicContact CD2-CD1 4.32Å; L293-L296 PolarHBondContact O-N 2.84Å; L293-F301 HydrophobicContact CD2-CE1 3.83Å; L293-F301 HydrophobicContact CD2-CZ 3.91Å
294E76.1Confident78.9Confident189 Ų18977.8 Ų77.888%0.88344%0.436SS*.G310 helixtrans-72.7-23.6178.5-63.1171.9177.700113.6S292 L296S292-E294 PolarHBondContact O-N 2.97Å; S292-E294 VanDerWaalsContact O-N 3.12Å; E294-L296 VanDerWaalsContact C-N 3.33Å
295S77.5Confident77.1Confident69 Ų6981.3 Ų81.348%0.48347%0.465SS..G310 helixtrans-87.3-4.3178.4700000113.6S292 L293S292-S295 PolarHBondContact N-OG 2.77Å; S292-S295 PolarHBondContact O-N 3.18Å; S292-S295 PolarHBondContact O-OG 3.02Å; S292-S295 PolarHBondContact OG-OG 2.84Å; L293-S295 VanDerWaalsContact C-N 3.34Å
296L77.4Confident75.3Confident15 Ų1588.5 Ų88.58%0.07950%0.496CS..SBendtrans-82.4142.8178.6-62.5176.5000110.4L272 T288 K291 L293 E294 T298 L300 F301L272-L296 HydrophobicContact CD2-CD1 4.36Å; T288-L296 HydrophobicContact CG2-CD1 3.54Å; T288-L296 HydrophobicContact CG2-CD2 3.85Å; T288-L296 HydrophobicContact CG2-CG 4.37Å; K291-L296 HydrophobicContact CB-CD2 4.09Å; K291-L296 HydrophobicContact CD-CD2 3.98Å; L293-L296 HydrophobicContact CD2-CD1 4.32Å; L293-L296 PolarHBondContact O-N 2.84Å; E294-L296 VanDerWaalsContact C-N 3.33Å; L296-T298 PolarHBondContact O-N 2.83Å; L296-L300 HydrophobicContact CB-CD1 4.46Å; L296-F301 HydrophobicContact CB-CE2 3.99Å; L296-F301 HydrophobicContact CB-CZ 4.29Å; L296-F301 HydrophobicContact CD1-CZ 4.33Å
297D77.5Confident73.5Confident100 Ų10090.5 Ų90.554%0.53552%0.517SS..  trans-58.6126.3174.5177.25.5000110.4S299 L300D297-S299 PolarHBondContact O-N 2.88Å; D297-S299 WeakPolarHBondContact OD1-CB 3.15Å; D297-S299 PolarHBondContact OD1-N 3.47Å; D297-S299 PolarHBondContact OD1-OG 3.48Å; D297-S299 WeakPolarHBondContact OD2-CB 3.43Å; D297-S299 PolarHBondContact OD2-OG 3.04Å; D297-L300 HydrophobicContact CB-CD1 4.39Å; D297-L300 HydrophobicContact CB-CG 4.35Å; D297-L300 WeakPolarHBondContact O-CB 3.33Å; D297-L300 PolarHBondContact O-N 3.33Å
298T78.4Confident71.8Confident121 Ų12197 Ų9774%0.74254%0.54SS*.G310 helixtrans-51.1-25.5175.6-43.60000112.3L296 L300 F301L296-T298 PolarHBondContact O-N 2.83Å; T298-L300 PolarHBondContact O-N 3.09Å; T298-F301 PolarHBondContact O-N 2.62Å
299S77.9Confident70.5Confident62 Ų6298.2 Ų98.243%0.43456%0.555SS.*G310 helixtrans-64.4-21.6175.687.30000114.1K273 D297K273-S299 WeakPolarHBondContact CE-O 3.41Å; K273-S299 PolarHBondContact NZ-O 3.15Å; D297-S299 PolarHBondContact O-N 2.88Å; D297-S299 WeakPolarHBondContact OD1-CB 3.15Å; D297-S299 PolarHBondContact OD1-N 3.47Å; D297-S299 PolarHBondContact OD1-OG 3.48Å; D297-S299 WeakPolarHBondContact OD2-CB 3.43Å; D297-S299 PolarHBondContact OD2-OG 3.04Å
300L76.3Confident69.5Low41 Ų4198.6 Ų98.622%0.21556%0.563CS.*G310 helixtrans-80-20.6-179.6-62.9173.7000113.2L272 K273 R284 L296 D297 T298L272-L300 WeakPolarHBondContact CA-O 3.46Å; L272-L300 HydrophobicContact CD2-CB 3.75Å; K273-L300 WeakPolarHBondContact CG-O 3.48Å; K273-L300 PolarHBondContact N-O 3.4Å; R284-L300 HydrophobicContact CG-CD2 4.42Å; L296-L300 HydrophobicContact CB-CD1 4.46Å; D297-L300 HydrophobicContact CB-CD1 4.39Å; D297-L300 HydrophobicContact CB-CG 4.35Å; D297-L300 WeakPolarHBondContact O-CB 3.33Å; D297-L300 PolarHBondContact O-N 3.33Å; T298-L300 PolarHBondContact O-N 3.09Å
301F80.7Confident69.2Low57 Ų57100.9 Ų100.925%0.2555%0.548CS..BIsolated β-bridgetrans-80.8147.2179.9-66.9-87.1000112.1L272 K273 L293 L296 T298 K303L272-F301 HydrophobicContact CD2-CD1 4.31Å; L272-F301 HydrophobicContact CD2-CE1 4.23Å; L272-F301 HydrophobicContact CD2-CZ 4.4Å; K273-F301 WeakPolarHBondContact CE-O 3.47Å; L293-F301 HydrophobicContact CD2-CE1 3.83Å; L293-F301 HydrophobicContact CD2-CZ 3.91Å; L296-F301 HydrophobicContact CB-CE2 3.99Å; L296-F301 HydrophobicContact CB-CZ 4.29Å; L296-F301 HydrophobicContact CD1-CZ 4.33Å; T298-F301 PolarHBondContact O-N 2.62Å; F301-K303 PolarHBondContact O-N 3.18Å
302A70.6Confident68.8Low65 Ų65104.4 Ų104.454%0.53756%0.558SS.*PPolyproline II helixtrans-70.9117.2175.100000110G271 N304G271-A302 PolarHBondContact O-N 3.35Å; G271-A302 VanDerWaalsContact O-N 3.16Å; A302-N304 PolarHBondContact O-N 2.86Å
303K60.5Low69Low191 Ų191104.5 Ų104.583%0.8355%0.553SS**PPolyproline II helixtrans-65.8125.5169.5-69.9-175.7176.7-178.90108.4F301 P305F301-K303 PolarHBondContact O-N 3.18Å; K303-P305 WeakPolarHBondContact O-CD 3.39Å
304N55.7Low69.4Low123 Ų123103.8 Ų103.866%0.65855%0.553SS**  trans-91.3103.3176.5-1563.1000109.6A302 K306A302-N304 PolarHBondContact O-N 2.86Å; N304-K306 PolarHBondContact O-N 3.31Å; N304-K306 VanDerWaalsContact O-N 3.09Å
305P51.9Low70Confident121 Ų12199.3 Ų99.379%0.78653%0.532SS*.THydrogen-bonded Turntrans-69.5-4.2-174.226.8-34.3000114.5K303K303-P305 WeakPolarHBondContact O-CD 3.39Å
306K52.2Low70.6Confident153 Ų153101.6 Ų101.667%0.66553%0.53SS*.THydrogen-bonded Turntrans-81.7-15-171.3-68.3-168.8175.5-174.80116.2N304 K308 G309 T310N304-K306 PolarHBondContact O-N 3.31Å; N304-K306 VanDerWaalsContact O-N 3.09Å; K306-K308 PolarHBondContact O-N 2.85Å; K306-G309 PolarHBondContact O-N 3.02Å; K306-T310 PolarHBondContact O-N 3.06Å; K306-T310 PolarHBondContact O-OG1 2.98Å
307S53.6Low71.2Confident97 Ų97101.9 Ų101.968%0.67853%0.532SS*.Hα-helixtrans-70.3-29.3-165.386.90000116.2
308K52.6Low72Confident181 Ų181100.1 Ų100.179%0.78752%0.519SS*.Hα-helixtrans-79.8-32.8178.5-84.5-170.1178-178.20114K306K306-K308 PolarHBondContact O-N 2.85Å
309G59.7Low72.8Confident39 Ų3998.2 Ų98.240%0.40251%0.505SS..Hα-helixtrans-69.8-46.1178.900000111.5K306 K311 R312 D313K306-G309 PolarHBondContact O-N 3.02Å; G309-K311 VanDerWaalsContact C-N 3.3Å; G309-K311 PolarHBondContact O-N 2.86Å; G309-R312 PolarHBondContact O-N 3.44Å; G309-D313 PolarHBondContact O-N 2.95Å; G309-D313 VanDerWaalsContact O-N 3.09Å
310T66.3Low73.6Confident79 Ų7995.3 Ų95.349%0.48548%0.484SS..Hα-helixtrans-58.2-39-178.6-51.60000112.7K306 D313 T314K306-T310 PolarHBondContact O-N 3.06Å; K306-T310 PolarHBondContact O-OG1 2.98Å; T310-D313 PolarHBondContact O-N 2.67Å; T310-T314 HydrophobicContact CG2-CG2 4.46Å; T310-T314 WeakPolarHBondContact O-CG2 3.41Å; T310-T314 PolarHBondContact O-N 3.24Å; T310-T314 PolarHBondContact O-OG1 3.37Å; T310-T314 VanDerWaalsContact O-OG1 3.09Å
311K72.1Confident74.5Confident135 Ų13593.4 Ų93.459%0.58747%0.474SS*.Hα-helixtrans-64.8-43.7179.8-164.8-176.8-177.9-160.80112.8G309 D313 T314 E315G309-K311 VanDerWaalsContact C-N 3.3Å; G309-K311 PolarHBondContact O-N 2.86Å; K311-D313 VanDerWaalsContact C-N 3.35Å; K311-T314 WeakPolarHBondContact CA-OG1 3.5Å; K311-T314 PolarHBondContact O-N 2.92Å; K311-T314 PolarHBondContact O-OG1 3.19Å; K311-E315 WeakPolarHBondContact CE-OE1 3.37Å; K311-E315 IonicContact NZ-OE1 3.39Å; K311-E315 WeakPolarHBondContact O-CG 3.44Å; K311-E315 PolarHBondContact O-N 3.48Å
312R76.9Confident75.3Confident197 Ų19792.6 Ų92.674%0.74347%0.47SS*.Hα-helixtrans-66.6-38.8177.6-73.8-176.1175.8-177.9-3111.8G309 T314 E315 R316G309-R312 PolarHBondContact O-N 3.44Å; R312-T314 VanDerWaalsContact C-N 3.35Å; R312-E315 PolarHBondContact O-N 3.19Å; R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 PolarHBondContact O-N 3.35Å
313D79.8Confident76.5Confident71 Ų7190.5 Ų90.538%0.3845%0.45SS..Hα-helixtrans-65.4-39.5175.8-74-41.3000111.6G309 T310 K311 R316 N317G309-D313 PolarHBondContact O-N 2.95Å; G309-D313 VanDerWaalsContact O-N 3.09Å; T310-D313 PolarHBondContact O-N 2.67Å; K311-D313 VanDerWaalsContact C-N 3.35Å; D313-R316 IonicContact OD1-CZ 2.87Å; D313-R316 IonicContact OD1-NE 2.77Å; D313-R316 IonicContact OD1-NH2 3.24Å; D313-R316 PolarHBondContact OD1-NH2 3.46Å; D313-N317 VanDerWaalsContact O-CB 3.31Å; D313-N317 WeakPolarHBondContact O-CB 3.34Å; D313-N317 PolarHBondContact O-N 3.48Å; D313-N317 PolarHBondContact O-ND2 2.94Å; D313-N317 PolarHBondContact O-OD1 2.78Å
314T84.1Confident78.3Confident74 Ų7481.4 Ų81.445%0.45441%0.411SS..Hα-helixtrans-66.9-40.6176.149.60000113T310 K311 R312 N317 K318T310-T314 HydrophobicContact CG2-CG2 4.46Å; T310-T314 WeakPolarHBondContact O-CG2 3.41Å; T310-T314 PolarHBondContact O-N 3.24Å; T310-T314 PolarHBondContact O-OG1 3.37Å; T310-T314 VanDerWaalsContact O-OG1 3.09Å; K311-T314 WeakPolarHBondContact CA-OG1 3.5Å; K311-T314 PolarHBondContact O-N 2.92Å; K311-T314 PolarHBondContact O-OG1 3.19Å; R312-T314 VanDerWaalsContact C-N 3.35Å; T314-N317 PolarHBondContact O-N 3.45Å; T314-K318 WeakPolarHBondContact O-CB 3.35Å; T314-K318 PolarHBondContact O-N 3.37Å
315E87.7Confident80.3Confident95 Ų9575.9 Ų75.944%0.44438%0.382SS..Hα-helixtrans-64.5-49176.1-74.5168.7-176.600110.4K311 R312 N317 K318 D319K311-E315 WeakPolarHBondContact CE-OE1 3.37Å; K311-E315 IonicContact NZ-OE1 3.39Å; K311-E315 WeakPolarHBondContact O-CG 3.44Å; K311-E315 PolarHBondContact O-N 3.48Å; R312-E315 PolarHBondContact O-N 3.19Å; E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.49Å; E315-K318 WeakPolarHBondContact O-CB 3.39Å; E315-K318 PolarHBondContact O-N 2.89Å; E315-K318 VanDerWaalsContact O-N 3.09Å; E315-D319 PolarHBondContact O-N 2.98Å
316R90Very high82.4Confident117 Ų11770.8 Ų70.844%0.44235%0.348SS..Hα-helixtrans-57-42.8175.7-179.8-176.363.2175.3-6.9112.7R312 D313 K318 D319 I320R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 PolarHBondContact O-N 3.35Å; D313-R316 IonicContact OD1-CZ 2.87Å; D313-R316 IonicContact OD1-NE 2.77Å; D313-R316 IonicContact OD1-NH2 3.24Å; D313-R316 PolarHBondContact OD1-NH2 3.46Å; R316-K318 VanDerWaalsContact C-N 3.34Å; R316-D319 PolarHBondContact O-N 3.16Å; R316-I320 HydrophobicContact CG-CD1 4.23Å; R316-I320 WeakPolarHBondContact O-CG1 3.43Å; R316-I320 PolarHBondContact O-N 3.25Å; R316-I320 VanDerWaalsContact O-N 3.1Å
317N91.5Very high84.6Confident21 Ų2163.5 Ų63.511%0.11232%0.316CS..Hα-helixtrans-64.9-40.2178.4-70.9-11.4000111.3W229 D313 T314 E315 D319 I320 A321W229-N317 HydrophobicContact CE3-CB 4.11Å; W229-N317 HydrophobicContact CH2-CB 3.79Å; W229-N317 HydrophobicContact CZ3-CB 3.4Å; W229-N317 VanDerWaalsContact CZ3-CB 3.4Å; W229-N317 VanDerWaalsContact CZ3-CG 3.44Å; D313-N317 VanDerWaalsContact O-CB 3.31Å; D313-N317 WeakPolarHBondContact O-CB 3.34Å; D313-N317 PolarHBondContact O-N 3.48Å; D313-N317 PolarHBondContact O-ND2 2.94Å; D313-N317 PolarHBondContact O-OD1 2.78Å; T314-N317 PolarHBondContact O-N 3.45Å; E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.49Å; N317-D319 VanDerWaalsContact C-N 3.35Å; N317-I320 PolarHBondContact O-N 2.71Å; N317-A321 VanDerWaalsContact O-CB 3.31Å; N317-A321 WeakPolarHBondContact O-CB 3.4Å; N317-A321 PolarHBondContact O-N 3.34Å
318K93.1Very high86.7Confident62 Ų6261.1 Ų61.127%0.2729%0.292SS..Hα-helixtrans-62.9-42.4175.3-170.1178.2-178.7-176.90111.2F217 E218 W221 T314 E315 R316 A321 F322F217-K318 HydrophobicContact CE1-CG 3.98Å; F217-K318 HydrophobicContact CZ-CG 4Å; E218-K318 VanDerWaalsContact OE1-CE 3.28Å; E218-K318 WeakPolarHBondContact OE1-CE 3.26Å; E218-K318 IonicContact OE1-NZ 4Å; E218-K318 PolarHBondContact OE1-NZ 3.42Å; E218-K318 WeakPolarHBondContact OE2-CE 3.29Å; E218-K318 IonicContact OE2-NZ 3.81Å; E218-K318 PolarHBondContact OE2-NZ 3.4Å; W221-K318 HydrophobicContact CD2-CG 4.23Å; W221-K318 HydrophobicContact CH2-CB 4.23Å; W221-K318 HydrophobicContact CZ2-CB 3.65Å; W221-K318 HydrophobicContact CZ2-CG 3.95Å; T314-K318 WeakPolarHBondContact O-CB 3.35Å; T314-K318 PolarHBondContact O-N 3.37Å; E315-K318 WeakPolarHBondContact O-CB 3.39Å; E315-K318 PolarHBondContact O-N 2.89Å; E315-K318 VanDerWaalsContact O-N 3.09Å; R316-K318 VanDerWaalsContact C-N 3.34Å; K318-A321 PolarHBondContact O-N 3.36Å; K318-F322 WeakPolarHBondContact O-CB 3.36Å; K318-F322 PolarHBondContact O-N 3.27Å
319D94.6Very high88.8Confident82 Ų8254.4 Ų54.444%0.43926%0.264SS..Hα-helixtrans-61.1-45.5177.4-64.7-12.5000112E315 R316 N317 F322 L323E315-D319 PolarHBondContact O-N 2.98Å; R316-D319 PolarHBondContact O-N 3.16Å; N317-D319 VanDerWaalsContact C-N 3.35Å; D319-F322 PolarHBondContact O-N 3.17Å; D319-L323 PolarHBondContact O-N 3.36Å; D319-L323 VanDerWaalsContact O-N 3.11Å
320I95.2Very high90.6Very high1 Ų152.9 Ų52.91%0.00525%0.246CC..Hα-helixtrans-64.4-45.6177.5-64.8170.8000110.3K178 Y182 K183 L186 W229 R316 N317 F322 L323 E324K178-I320 HydrophobicContact CB-CG2 4.48Å; K178-I320 HydrophobicContact CD-CG2 4.4Å; K178-I320 WeakPolarHBondContact O-CD1 3.35Å; Y182-I320 HydrophobicContact CD1-CG2 4.05Å; Y182-I320 HydrophobicContact CE1-CG2 3.76Å; K183-I320 HydrophobicContact CB-CG1 4.31Å; K183-I320 HydrophobicContact CD-CG1 4.31Å; K183-I320 HydrophobicContact CG-CG1 4.24Å; L186-I320 HydrophobicContact CD1-CG2 3.89Å; W229-I320 HydrophobicContact CH2-CB 4.39Å; W229-I320 HydrophobicContact CH2-CG2 4.43Å; W229-I320 HydrophobicContact CZ2-CB 3.98Å; W229-I320 HydrophobicContact CZ2-CG2 3.77Å; R316-I320 HydrophobicContact CG-CD1 4.23Å; R316-I320 WeakPolarHBondContact O-CG1 3.43Å; R316-I320 PolarHBondContact O-N 3.25Å; R316-I320 VanDerWaalsContact O-N 3.1Å; N317-I320 PolarHBondContact O-N 2.71Å; I320-F322 PolarHBondContact O-N 2.95Å; I320-L323 WeakPolarHBondContact O-CB 3.48Å; I320-L323 PolarHBondContact O-N 3.1Å; I320-L323 VanDerWaalsContact O-N 3.15Å; I320-E324 WeakPolarHBondContact O-CG 3.35Å; I320-E324 PolarHBondContact O-N 3.23Å
321A95.7Very high92Very high0 Ų049.4 Ų49.40%023%0.225CC..Hα-helixtrans-60-35.7177.200000112.3F217 W221 F226 W229 N317 K318 E324 A325F217-A321 HydrophobicContact CE2-CB 3.78Å; F217-A321 HydrophobicContact CZ-CB 3.94Å; W221-A321 HydrophobicContact CE3-CB 3.98Å; W221-A321 HydrophobicContact CH2-CB 4.06Å; W221-A321 HydrophobicContact CZ3-CB 3.37Å; F226-A321 HydrophobicContact CD1-CB 3.93Å; F226-A321 HydrophobicContact CE1-CB 3.71Å; F226-A321 WeakPolarHBondContact CE1-O 3.44Å; F226-A321 WeakPolarHBondContact CZ-O 3.49Å; W229-A321 HydrophobicContact CD2-CB 4.16Å; W229-A321 HydrophobicContact CG-CB 4.12Å; W229-A321 HydrophobicContact CZ2-CB 4.31Å; N317-A321 VanDerWaalsContact O-CB 3.31Å; N317-A321 WeakPolarHBondContact O-CB 3.4Å; N317-A321 PolarHBondContact O-N 3.34Å; K318-A321 PolarHBondContact O-N 3.36Å; A321-E324 PolarHBondContact O-N 3.16Å; A321-A325 PolarHBondContact O-N 3.46Å
322F97Very high93.1Very high40 Ų4050 Ų5018%0.17523%0.23CC..Hα-helixtrans-71-33.6176.8-174.1-122.7000112.8F210 I213 Q214 F217 K318 D319 I320 A325 Q326F210-F322 AromaticContact CE2-CE1 3.95Å; F210-F322 HydrophobicContact CE2-CE1 3.95Å; F210-F322 AromaticContact CE2-CZ 3.79Å; F210-F322 HydrophobicContact CE2-CZ 3.79Å; F210-F322 AromaticContact CZ-CE1 3.88Å; F210-F322 HydrophobicContact CZ-CE1 3.88Å; F210-F322 AromaticContact CZ-CZ 3.74Å; F210-F322 HydrophobicContact CZ-CZ 3.74Å; I213-F322 HydrophobicContact CG2-CE2 4.3Å; Q214-F322 HydrophobicContact CB-CE2 4.22Å; Q214-F322 HydrophobicContact CB-CZ 4.24Å; Q214-F322 HydrophobicContact CG-CE2 4.42Å; Q214-F322 HydrophobicContact CG-CZ 4.41Å; F217-F322 HydrophobicContact CB-CD2 4.02Å; F217-F322 HydrophobicContact CB-CE2 4.28Å; F217-F322 HydrophobicContact CD1-CB 4.22Å; F217-F322 AromaticContact CD1-CD2 3.43Å; F217-F322 HydrophobicContact CD1-CD2 3.43Å; F217-F322 VanDerWaalsContact CD1-CD2 3.43Å; F217-F322 HydrophobicContact CD1-CE2 4.2Å; F217-F322 HydrophobicContact CD1-CG 4.17Å; F217-F322 HydrophobicContact CD2-CD2 4.28Å; F217-F322 HydrophobicContact CE1-CB 3.78Å; F217-F322 AromaticContact CE1-CD2 3.9Å; F217-F322 HydrophobicContact CE1-CD2 3.9Å; F217-F322 HydrophobicContact CE1-CG 4.18Å; F217-F322 HydrophobicContact CE2-CB 4.31Å; F217-F322 AromaticContact CG-CD2 3.64Å; F217-F322 HydrophobicContact CG-CD2 3.64Å; F217-F322 HydrophobicContact CG-CE2 4.35Å; F217-F322 HydrophobicContact CZ-CB 3.83Å; F217-F322 HydrophobicContact CZ-CD2 4.5Å; K318-F322 WeakPolarHBondContact O-CB 3.36Å; K318-F322 PolarHBondContact O-N 3.27Å; D319-F322 PolarHBondContact O-N 3.17Å; I320-F322 PolarHBondContact O-N 2.95Å; F322-A325 PolarHBondContact O-N 2.82Å; F322-Q326 HydrophobicContact CE2-CG 4.44Å; F322-Q326 HydrophobicContact CZ-CG 4.31Å; F322-Q326 WeakPolarHBondContact O-CG 3.19Å; F322-Q326 PolarHBondContact O-N 3.23Å; F322-Q326 VanDerWaalsContact O-N 3.14Å; F322-Q326 PolarHBondContact O-NE2 2.92Å; F322-Q326 VanDerWaalsContact O-NE2 3.15Å
323L97.3Very high94.1Very high22 Ų2242.2 Ų42.212%0.11520%0.203CC..Hα-helixtrans-63.7-44.8169.9-68.8170.7000111.2K183 L186 E187 L190 D319 I320 A325 Q326 I327K183-L323 HydrophobicContact CG-CD1 3.83Å; L186-L323 HydrophobicContact CB-CB 4.23Å; L186-L323 HydrophobicContact CB-CD1 4.29Å; L186-L323 HydrophobicContact CD1-CB 4.09Å; E187-L323 HydrophobicContact CG-CD1 3.94Å; E187-L323 HydrophobicContact CG-CD2 4.47Å; L190-L323 HydrophobicContact CD2-CD2 3.66Å; D319-L323 PolarHBondContact O-N 3.36Å; D319-L323 VanDerWaalsContact O-N 3.11Å; I320-L323 WeakPolarHBondContact O-CB 3.48Å; I320-L323 PolarHBondContact O-N 3.1Å; I320-L323 VanDerWaalsContact O-N 3.15Å; L323-A325 VanDerWaalsContact C-N 3.29Å; L323-A325 PolarHBondContact O-N 3.49Å; L323-Q326 PolarHBondContact O-N 3.37Å; L323-I327 WeakPolarHBondContact O-CG1 3.42Å; L323-I327 PolarHBondContact O-N 3.15Å
324E97.2Very high94.9Very high0 Ų038.9 Ų38.90%019%0.185CC..Hα-helixtrans-58.9-42.1175.4-66.3170.6-168.200111.4L170 K178 Y182 L186 F226 W229 I320 A321 Q326 I327 Y328L170-E324 HydrophobicContact CB-CG 4.13Å; L170-E324 HydrophobicContact CD1-CB 4.13Å; L170-E324 HydrophobicContact CD1-CG 3.92Å; K178-E324 WeakPolarHBondContact CD-OE1 3.47Å; K178-E324 WeakPolarHBondContact CE-OE1 3.33Å; K178-E324 IonicContact NZ-OE1 2.81Å; K178-E324 PolarHBondContact NZ-OE1 3.28Å; K178-E324 IonicContact NZ-OE2 3.55Å; K178-E324 PolarHBondContact NZ-OE2 3.01Å; Y182-E324 WeakPolarHBondContact CE1-OE1 3.22Å; Y182-E324 PolarHBondContact OH-OE1 3.25Å; L186-E324 HydrophobicContact CD1-CG 3.75Å; F226-E324 HydrophobicContact CE1-CB 4.43Å; F226-E324 HydrophobicContact CZ-CB 4.29Å; W229-E324 PolarHBondContact NE1-OE2 2.76Å; I320-E324 WeakPolarHBondContact O-CG 3.35Å; I320-E324 PolarHBondContact O-N 3.23Å; A321-E324 PolarHBondContact O-N 3.16Å; E324-Q326 VanDerWaalsContact C-N 3.34Å; E324-Q326 PolarHBondContact O-N 2.95Å; E324-I327 PolarHBondContact O-N 3.42Å; E324-Y328 HydrophobicContact CB-CE2 4.26Å; E324-Y328 VanDerWaalsContact O-CD2 3.27Å; E324-Y328 WeakPolarHBondContact O-CD2 3.47Å; E324-Y328 PolarHBondContact O-N 2.9Å
325A97.1Very high95.5Very high7 Ų736.4 Ų36.46%0.05817%0.174CC..Hα-helixtrans-60.4-42.3177.700000112.6I213 F217 F226 A321 F322 L323 E329I213-A325 HydrophobicContact CG2-CB 4.45Å; F217-A325 HydrophobicContact CB-CB 4.23Å; F217-A325 HydrophobicContact CD2-CB 3.67Å; F217-A325 HydrophobicContact CE2-CB 4.43Å; F217-A325 HydrophobicContact CG-CB 4.23Å; F226-A325 HydrophobicContact CE2-CB 3.64Å; F226-A325 HydrophobicContact CZ-CB 3.73Å; A321-A325 PolarHBondContact O-N 3.46Å; F322-A325 PolarHBondContact O-N 2.82Å; L323-A325 VanDerWaalsContact C-N 3.29Å; L323-A325 PolarHBondContact O-N 3.49Å; A325-E329 WeakPolarHBondContact O-CG 3.42Å; A325-E329 PolarHBondContact O-N 2.68Å
326Q97.8Very high95.9Very high13 Ų1338.3 Ų38.36%0.06118%0.183CC..Hα-helixtrans-65.2-44.8176.2-71169.991.200111.3L190 I213 F322 L323 E324 Y328 E329 Y330L190-Q326 HydrophobicContact CD1-CB 3.69Å; L190-Q326 HydrophobicContact CD2-CB 3.99Å; I213-Q326 HydrophobicContact CG2-CG 3.89Å; F322-Q326 HydrophobicContact CE2-CG 4.44Å; F322-Q326 HydrophobicContact CZ-CG 4.31Å; F322-Q326 WeakPolarHBondContact O-CG 3.19Å; F322-Q326 PolarHBondContact O-N 3.23Å; F322-Q326 VanDerWaalsContact O-N 3.14Å; F322-Q326 PolarHBondContact O-NE2 2.92Å; F322-Q326 VanDerWaalsContact O-NE2 3.15Å; L323-Q326 PolarHBondContact O-N 3.37Å; E324-Q326 VanDerWaalsContact C-N 3.34Å; E324-Q326 PolarHBondContact O-N 2.95Å; Q326-Y328 VanDerWaalsContact C-N 3.33Å; Q326-Y328 PolarHBondContact O-N 2.77Å; Q326-E329 PolarHBondContact O-N 3.17Å; Q326-Y330 VanDerWaalsContact O-CD2 3.25Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.49Å; Q326-Y330 PolarHBondContact O-N 3.49Å; Q326-Y330 VanDerWaalsContact O-N 3.07Å
327I97.8Very high96.2Very high0 Ų033.3 Ų33.30%016%0.164CC..Hα-helixtrans-59.4-43.9178.4-69162000111.2L170 L186 L189 L190 L193 L323 E324 E329 Y330 V331L170-I327 HydrophobicContact CD1-CB 4.14Å; L170-I327 HydrophobicContact CD1-CD1 3.97Å; L170-I327 HydrophobicContact CD1-CG2 3.92Å; L186-I327 HydrophobicContact CB-CD1 3.99Å; L186-I327 HydrophobicContact CD2-CD1 3.63Å; L186-I327 HydrophobicContact CG-CD1 4.32Å; L189-I327 HydrophobicContact CD2-CD1 4.13Å; L189-I327 HydrophobicContact CD2-CG2 4.02Å; L189-I327 HydrophobicContact CG-CD1 4.43Å; L190-I327 HydrophobicContact CB-CD1 4.42Å; L190-I327 HydrophobicContact CB-CG1 4.03Å; L190-I327 HydrophobicContact CD1-CG1 4.17Å; L193-I327 HydrophobicContact CD1-CG2 4.04Å; L323-I327 WeakPolarHBondContact O-CG1 3.42Å; L323-I327 PolarHBondContact O-N 3.15Å; E324-I327 PolarHBondContact O-N 3.42Å; I327-E329 VanDerWaalsContact C-N 3.25Å; I327-E329 PolarHBondContact O-N 2.87Å; I327-Y330 PolarHBondContact O-N 3.5Å; I327-V331 HydrophobicContact CG2-CG2 4.02Å; I327-V331 WeakPolarHBondContact O-CB 3.18Å; I327-V331 VanDerWaalsContact O-CG2 3.24Å; I327-V331 WeakPolarHBondContact O-CG2 2.86Å; I327-V331 PolarHBondContact O-N 2.92Å
328Y97.3Very high96.4Very high47 Ų4736.3 Ų36.318%0.18417%0.174CC..Hα-helixtrans-57.2-39.6178.1-62.6-32.1000112.8D168 L170 F171 F226 E324 Q326 E332D168-Y328 WeakPolarHBondContact O-CE1 3.22Å; L170-Y328 HydrophobicContact CB-CE1 3.91Å; L170-Y328 WeakPolarHBondContact CB-OH 3.12Å; L170-Y328 HydrophobicContact CD1-CE1 4.07Å; L170-Y328 HydrophobicContact CG-CE1 4.13Å; F171-Y328 PolarHBondContact N-OH 2.96Å; F171-Y328 VanDerWaalsContact N-OH 3.13Å; F226-Y328 HydrophobicContact CZ-CD2 4.42Å; F226-Y328 AromaticContact CZ-CE2 4Å; F226-Y328 HydrophobicContact CZ-CE2 4Å; E324-Y328 HydrophobicContact CB-CE2 4.26Å; E324-Y328 VanDerWaalsContact O-CD2 3.27Å; E324-Y328 WeakPolarHBondContact O-CD2 3.47Å; E324-Y328 PolarHBondContact O-N 2.9Å; Q326-Y328 VanDerWaalsContact C-N 3.33Å; Q326-Y328 PolarHBondContact O-N 2.77Å; Y328-E332 WeakPolarHBondContact O-CB 3.3Å; Y328-E332 PolarHBondContact O-N 3.05Å
329E96.6Very high96.5Very high40 Ų4038.3 Ų38.319%0.18718%0.184CC..Hα-helixtrans-74.7-40.9-177.8-67.4-85.4151.800111.4K212 I213 A325 Q326 I327 E332 I333K212-E329 IonicContact NZ-OE2 3.82Å; I213-E329 HydrophobicContact CD1-CB 3.64Å; I213-E329 HydrophobicContact CD1-CG 4.09Å; I213-E329 HydrophobicContact CG1-CB 3.89Å; I213-E329 HydrophobicContact CG1-CG 3.78Å; I213-E329 HydrophobicContact CG2-CG 4.44Å; A325-E329 WeakPolarHBondContact O-CG 3.42Å; A325-E329 PolarHBondContact O-N 2.68Å; Q326-E329 PolarHBondContact O-N 3.17Å; I327-E329 VanDerWaalsContact C-N 3.25Å; I327-E329 PolarHBondContact O-N 2.87Å; E329-E332 PolarHBondContact O-N 3.23Å; E329-I333 WeakPolarHBondContact O-CD1 2.95Å; E329-I333 VanDerWaalsContact O-CG1 3.31Å; E329-I333 WeakPolarHBondContact O-CG1 3.41Å; E329-I333 PolarHBondContact O-N 3.05Å
330Y97Very high96.6Very high7 Ų736.4 Ų36.43%0.02717%0.174CC..Hα-helixtrans-65.3-39.2173.3-77.6-69.3000112.5L190 L193 Q194 T197 Q206 L209 Q326 I327 E332 I333 L334L190-Y330 HydrophobicContact CD1-CD2 3.62Å; L190-Y330 HydrophobicContact CD1-CE2 3.84Å; L193-Y330 HydrophobicContact CB-CG 4.41Å; Q194-Y330 HydrophobicContact CG-CD2 4.1Å; Q194-Y330 HydrophobicContact CG-CE1 4.1Å; Q194-Y330 HydrophobicContact CG-CE2 3.45Å; Q194-Y330 VanDerWaalsContact CG-CE2 3.45Å; Q194-Y330 VanDerWaalsContact CG-CZ 3.46Å; T197-Y330 HydrophobicContact CG2-CD1 4.2Å; T197-Y330 HydrophobicContact CG2-CE1 4.14Å; T197-Y330 WeakPolarHBondContact OG1-CD1 3.45Å; Q206-Y330 PolarHBondContact OE1-OH 2.9Å; L209-Y330 HydrophobicContact CD2-CD1 4.48Å; L209-Y330 HydrophobicContact CD2-CE1 3.81Å; Q326-Y330 VanDerWaalsContact O-CD2 3.25Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.49Å; Q326-Y330 PolarHBondContact O-N 3.49Å; Q326-Y330 VanDerWaalsContact O-N 3.07Å; I327-Y330 PolarHBondContact O-N 3.5Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; Y330-E332 PolarHBondContact O-N 2.96Å; Y330-I333 HydrophobicContact CD1-CD1 4.49Å; Y330-I333 PolarHBondContact O-N 2.92Å; Y330-L334 WeakPolarHBondContact O-CB 3.19Å; Y330-L334 WeakPolarHBondContact O-CG 3.36Å; Y330-L334 PolarHBondContact O-N 3.03Å
331V96.4Very high96.7Very high6 Ų636.6 Ų36.64%0.03618%0.175CC..Hα-helixtrans-63.1-38.4175.4169.30000111.5F167 D168 L193 I327 L334 G335 R338F167-V331 HydrophobicContact CE2-CG2 3.68Å; F167-V331 HydrophobicContact CZ-CG1 4.49Å; F167-V331 HydrophobicContact CZ-CG2 4.07Å; D168-V331 HydrophobicContact CB-CB 4.36Å; D168-V331 HydrophobicContact CB-CG1 3.76Å; D168-V331 HydrophobicContact CB-CG2 4.09Å; L193-V331 HydrophobicContact CD1-CG2 3.99Å; I327-V331 HydrophobicContact CG2-CG2 4.02Å; I327-V331 WeakPolarHBondContact O-CB 3.18Å; I327-V331 VanDerWaalsContact O-CG2 3.24Å; I327-V331 WeakPolarHBondContact O-CG2 2.86Å; I327-V331 PolarHBondContact O-N 2.92Å; V331-L334 CarbonylContact O-C 3.59Å; V331-L334 PolarHBondContact O-N 3.3Å; V331-G335 WeakPolarHBondContact O-CA 3.34Å; V331-G335 PolarHBondContact O-N 2.75Å; V331-R338 VanDerWaalsContact CG1-NH1 3.34Å
332E96Very high96.6Very high149 Ų14938.6 Ų38.670%0.69618%0.184SC*.Hα-helixtrans-64.7-44.1174.6-17368-170.200111.3Y328 E329 Y330 L334 G335Y328-E332 WeakPolarHBondContact O-CB 3.3Å; Y328-E332 PolarHBondContact O-N 3.05Å; E329-E332 PolarHBondContact O-N 3.23Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; Y330-E332 PolarHBondContact O-N 2.96Å; E332-L334 VanDerWaalsContact C-N 3.26Å; E332-L334 PolarHBondContact O-N 3.44Å; E332-G335 PolarHBondContact O-N 3.18Å
333I96.3Very high96.5Very high33 Ų3340.9 Ų40.917%0.16920%0.196CC..Hα-helixtrans-61.4-35.2177.1-70.1160.7000112.1T197 K201 L209 E329 Y330T197-I333 HydrophobicContact CG2-CG2 4.15Å; K201-I333 HydrophobicContact CD-CG2 3.96Å; K201-I333 PolarHBondContact NZ-O 3.1Å; L209-I333 HydrophobicContact CD1-CD1 3.85Å; L209-I333 HydrophobicContact CD2-CD1 3.46Å; L209-I333 VanDerWaalsContact CD2-CD1 3.46Å; L209-I333 HydrophobicContact CG-CD1 4.31Å; E329-I333 WeakPolarHBondContact O-CD1 2.95Å; E329-I333 VanDerWaalsContact O-CG1 3.31Å; E329-I333 WeakPolarHBondContact O-CG1 3.41Å; E329-I333 PolarHBondContact O-N 3.05Å; Y330-I333 HydrophobicContact CD1-CD1 4.49Å; Y330-I333 PolarHBondContact O-N 2.92Å
334L96.9Very high96.2Very high1 Ų140 Ų401%0.00519%0.191CC..THydrogen-bonded Turntrans-99.321-178.5-60.9176.3000112.7L140 L193 Y196 T197 Y330 V331 E332 E336 Q337 R338L140-L334 HydrophobicContact CD2-CD1 4.14Å; L193-L334 HydrophobicContact CD2-CD1 3.86Å; Y196-L334 HydrophobicContact CD1-CD1 3.87Å; Y196-L334 HydrophobicContact CD1-CD2 3.83Å; Y196-L334 HydrophobicContact CE1-CD2 3.95Å; T197-L334 WeakPolarHBondContact OG1-CD1 3.46Å; Y330-L334 WeakPolarHBondContact O-CB 3.19Å; Y330-L334 WeakPolarHBondContact O-CG 3.36Å; Y330-L334 PolarHBondContact O-N 3.03Å; V331-L334 CarbonylContact O-C 3.59Å; V331-L334 PolarHBondContact O-N 3.3Å; E332-L334 VanDerWaalsContact C-N 3.26Å; E332-L334 PolarHBondContact O-N 3.44Å; L334-E336 VanDerWaalsContact C-N 3.26Å; L334-E336 PolarHBondContact O-N 3.48Å; L334-Q337 PolarHBondContact O-N 2.96Å; L334-R338 WeakPolarHBondContact O-CB 3.06Å; L334-R338 PolarHBondContact O-N 2.88Å
335G96.5Very high96Very high22 Ų2241 Ų4123%0.22720%0.197CC..Hα-helixtrans-59.6-33.3-17400000114.2V331 E332 H339V331-G335 WeakPolarHBondContact O-CA 3.34Å; V331-G335 PolarHBondContact O-N 2.75Å; E332-G335 PolarHBondContact O-N 3.18Å; G335-H339 WeakPolarHBondContact O-CB 3.33Å; G335-H339 PolarHBondContact O-N 3.24Å; G335-H339 VanDerWaalsContact O-N 3.09Å
336E95.7Very high95.7Very high134 Ų13445.7 Ų45.763%0.62622%0.218SC*.Hα-helixtrans-67.2-52.9175.2-179.2173-164.100111.2L334 R338 H339 L340L334-E336 VanDerWaalsContact C-N 3.26Å; L334-E336 PolarHBondContact O-N 3.48Å; E336-R338 VanDerWaalsContact C-N 3.28Å; E336-R338 PolarHBondContact O-N 3.01Å; E336-H339 PolarHBondContact O-N 3.34Å; E336-H339 VanDerWaalsContact O-N 3.09Å; E336-L340 HydrophobicContact CG-CD1 3.96Å; E336-L340 HydrophobicContact CG-CG 4.44Å; E336-L340 WeakPolarHBondContact O-CG 3.42Å; E336-L340 PolarHBondContact O-N 3.23Å
337Q97Very high95.2Very high12 Ų1249.6 Ų49.66%0.05623%0.232CC..Hα-helixtrans-59.3-40.6177.2-69.874.314.400111G137 L140 Y196 L334 H339 L340 T341G137-Q337 WeakPolarHBondContact O-CG 3.49Å; L140-Q337 HydrophobicContact CD2-CB 4.12Å; L140-Q337 HydrophobicContact CG-CB 4.02Å; Y196-Q337 HydrophobicContact CE1-CB 4.44Å; Y196-Q337 HydrophobicContact CE1-CG 4.04Å; L334-Q337 PolarHBondContact O-N 2.96Å; Q337-H339 PolarHBondContact O-N 3.1Å; Q337-L340 PolarHBondContact O-N 3.4Å; Q337-T341 VanDerWaalsContact O-CB 3.28Å; Q337-T341 WeakPolarHBondContact O-CB 3.47Å; Q337-T341 PolarHBondContact O-N 3Å; Q337-T341 PolarHBondContact O-OG1 2.89Å
338R95.9Very high94.7Very high84 Ų8450.4 Ų50.432%0.31724%0.235SC..Hα-helixtrans-56.6-49173.9-172.2-170.877.2-157.5-9.2111.3L140 F167 D168 V331 L334 E336 T341 H342L140-R338 HydrophobicContact CD1-CB 4.23Å; F167-R338 HydrophobicContact CE1-CG 3.87Å; F167-R338 HydrophobicContact CZ-CG 4.01Å; D168-R338 IonicContact OD2-CZ 2.9Å; D168-R338 IonicContact OD2-NE 2.73Å; D168-R338 IonicContact OD2-NH1 2.7Å; D168-R338 PolarHBondContact OD2-NH1 3Å; V331-R338 VanDerWaalsContact CG1-NH1 3.34Å; L334-R338 WeakPolarHBondContact O-CB 3.06Å; L334-R338 PolarHBondContact O-N 2.88Å; E336-R338 VanDerWaalsContact C-N 3.28Å; E336-R338 PolarHBondContact O-N 3.01Å; R338-T341 PolarHBondContact O-N 2.78Å; R338-H342 PolarHBondContact O-N 3.43Å; R338-H342 VanDerWaalsContact O-N 3.14Å
339H95.9Very high94Very high104 Ų10453 Ų5348%0.48125%0.249SC..Hα-helixtrans-65.1-48.6-179.4-17950.3000111.8G335 E336 Q337 T341 H342 E343G335-H339 WeakPolarHBondContact O-CB 3.33Å; G335-H339 PolarHBondContact O-N 3.24Å; G335-H339 VanDerWaalsContact O-N 3.09Å; E336-H339 PolarHBondContact O-N 3.34Å; E336-H339 VanDerWaalsContact O-N 3.09Å; Q337-H339 PolarHBondContact O-N 3.1Å; H339-T341 VanDerWaalsContact C-N 3.29Å; H339-T341 PolarHBondContact O-N 3.28Å; H339-H342 PolarHBondContact O-N 2.79Å; H339-E343 IonicContact CE1-OE1 3.15Å; H339-E343 PolarHBondContact CE1-OE1 2.98Å; H339-E343 IonicContact NE2-OE1 3.54Å; H339-E343 PolarHBondContact NE2-OE1 3.07Å; H339-E343 PolarHBondContact O-N 2.79Å
340L96.1Very high93.2Very high43 Ų4355.4 Ų55.423%0.22528%0.275CS..Hα-helixtrans-60-38.8178-70.2175.8000112.1R138 Y139 E336 Q337 E343 N344R138-L340 HydrophobicContact CG-CD1 4.34Å; Y139-L340 HydrophobicContact CD1-CB 3.96Å; Y139-L340 HydrophobicContact CE1-CB 3.97Å; E336-L340 HydrophobicContact CG-CD1 3.96Å; E336-L340 HydrophobicContact CG-CG 4.44Å; E336-L340 WeakPolarHBondContact O-CG 3.42Å; E336-L340 PolarHBondContact O-N 3.23Å; Q337-L340 PolarHBondContact O-N 3.4Å; L340-E343 PolarHBondContact O-N 3.46Å; L340-N344 WeakPolarHBondContact O-CB 3.32Å; L340-N344 PolarHBondContact O-N 2.8Å
341T96.3Very high92.2Very high4 Ų458.5 Ų58.53%0.02529%0.287CS..Hα-helixtrans-62.4-46.4176.1-56.10000111.2Y139 L140 L164 Q337 R338 H339 N344 V345Y139-T341 WeakPolarHBondContact CA-OG1 3.37Å; L140-T341 HydrophobicContact CB-CG2 4.39Å; L140-T341 PolarHBondContact N-OG1 3.48Å; L140-T341 VanDerWaalsContact O-CG2 3.22Å; L140-T341 WeakPolarHBondContact O-CG2 3.39Å; L164-T341 HydrophobicContact CD1-CG2 4.08Å; L164-T341 HydrophobicContact CD2-CG2 4.28Å; Q337-T341 VanDerWaalsContact O-CB 3.28Å; Q337-T341 WeakPolarHBondContact O-CB 3.47Å; Q337-T341 PolarHBondContact O-N 3Å; Q337-T341 PolarHBondContact O-OG1 2.89Å; R338-T341 PolarHBondContact O-N 2.78Å; H339-T341 VanDerWaalsContact C-N 3.29Å; H339-T341 PolarHBondContact O-N 3.28Å; T341-N344 PolarHBondContact O-N 2.71Å; T341-V345 WeakPolarHBondContact O-CG2 3.24Å; T341-V345 PolarHBondContact O-N 3.35Å
342H95Very high91Very high43 Ų4362 Ų6220%0.19931%0.309CS..Hα-helixtrans-60.9-47.2177.5-176.7-72.6000111.3S165 R338 H339 V345 Q346S165-H342 PolarHBondContact OG-CD2 2.72Å; S165-H342 PolarHBondContact OG-NE2 3.21Å; S165-H342 VanDerWaalsContact OG-NE2 3.15Å; R338-H342 PolarHBondContact O-N 3.43Å; R338-H342 VanDerWaalsContact O-N 3.14Å; H339-H342 PolarHBondContact O-N 2.79Å; H342-V345 PolarHBondContact O-N 2.83Å; H342-Q346 WeakPolarHBondContact O-CB 3.36Å; H342-Q346 PolarHBondContact O-N 3.27Å
343E93.5Very high89.9Confident88 Ų8857.4 Ų57.441%0.41130%0.301SS..Hα-helixtrans-62.6-43177.3-69.2-164.4151.500112.3H339 L340 Q346 R347H339-E343 IonicContact CE1-OE1 3.15Å; H339-E343 PolarHBondContact CE1-OE1 2.98Å; H339-E343 IonicContact NE2-OE1 3.54Å; H339-E343 PolarHBondContact NE2-OE1 3.07Å; H339-E343 PolarHBondContact O-N 2.79Å; L340-E343 PolarHBondContact O-N 3.46Å; E343-Q346 PolarHBondContact O-N 3.07Å; E343-R347 VanDerWaalsContact O-CB 3.26Å; E343-R347 WeakPolarHBondContact O-CB 3.32Å; E343-R347 PolarHBondContact O-N 3.37Å
344N92.5Very high88.5Confident4 Ų463.1 Ų63.12%0.02133%0.327CS..Hα-helixtrans-59.8-48.3177.2-176.141.1000111.3Y139 L340 T341 Q346 R347 K348 Q363Y139-N344 HydrophobicContact CD1-CB 3.95Å; Y139-N344 HydrophobicContact CE1-CB 3.57Å; L340-N344 WeakPolarHBondContact O-CB 3.32Å; L340-N344 PolarHBondContact O-N 2.8Å; T341-N344 PolarHBondContact O-N 2.71Å; N344-Q346 PolarHBondContact O-N 3.03Å; N344-R347 WeakPolarHBondContact O-CB 3.31Å; N344-R347 PolarHBondContact O-N 2.95Å; N344-K348 WeakPolarHBondContact O-CB 3.17Å; N344-K348 WeakPolarHBondContact O-CG 3.35Å; N344-K348 PolarHBondContact O-N 2.89Å; N344-Q363 PolarHBondContact OD1-NE2 3.42Å
345V91.9Very high87.3Confident20 Ų2067.2 Ų67.212%0.12135%0.346CS..Hα-helixtrans-63.8-42.1178.1172.20000111.3Y160 I161 L164 T341 H342 R347 K348 Q349Y160-V345 HydrophobicContact CD1-CG1 3.98Å; Y160-V345 HydrophobicContact CD1-CG2 4.27Å; Y160-V345 HydrophobicContact CE1-CG1 4.37Å; Y160-V345 HydrophobicContact CE1-CG2 3.82Å; I161-V345 HydrophobicContact CB-CG1 4.38Å; L164-V345 HydrophobicContact CD1-CB 4.07Å; L164-V345 HydrophobicContact CD1-CG1 4.3Å; L164-V345 HydrophobicContact CD1-CG2 3.79Å; T341-V345 WeakPolarHBondContact O-CG2 3.24Å; T341-V345 PolarHBondContact O-N 3.35Å; H342-V345 PolarHBondContact O-N 2.83Å; V345-R347 VanDerWaalsContact C-N 3.33Å; V345-R347 PolarHBondContact O-N 3.39Å; V345-K348 PolarHBondContact O-N 3.44Å; V345-Q349 WeakPolarHBondContact O-CG 3.34Å; V345-Q349 PolarHBondContact O-N 2.89Å
346Q91.1Very high85.8Confident106 Ų10670.7 Ų70.750%0.49535%0.352SS..Hα-helixtrans-61.9-41.4176.1-171.81752.300111.9I161 H342 E343 N344 Q349 A350I161-Q346 HydrophobicContact CD1-CB 3.79Å; I161-Q346 HydrophobicContact CD1-CG 4.02Å; H342-Q346 WeakPolarHBondContact O-CB 3.36Å; H342-Q346 PolarHBondContact O-N 3.27Å; E343-Q346 PolarHBondContact O-N 3.07Å; N344-Q346 PolarHBondContact O-N 3.03Å; Q346-Q349 PolarHBondContact O-N 2.94Å; Q346-A350 PolarHBondContact O-N 2.71Å
347R88Confident84.4Confident94 Ų9470.6 Ų70.636%0.35535%0.352SS..Hα-helixtrans-65.2-47.7176.5-157-157.6-48.9170.16.7111.4E343 N344 V345 Q349 A350 R351 E359E343-R347 VanDerWaalsContact O-CB 3.26Å; E343-R347 WeakPolarHBondContact O-CB 3.32Å; E343-R347 PolarHBondContact O-N 3.37Å; N344-R347 WeakPolarHBondContact O-CB 3.31Å; N344-R347 PolarHBondContact O-N 2.95Å; V345-R347 VanDerWaalsContact C-N 3.33Å; V345-R347 PolarHBondContact O-N 3.39Å; R347-Q349 PolarHBondContact O-N 3.43Å; R347-A350 PolarHBondContact O-N 2.87Å; R347-A350 VanDerWaalsContact O-N 3.11Å; R347-R351 PolarHBondContact O-N 2.77Å; R347-E359 WeakPolarHBondContact CD-OE1 3.35Å; R347-E359 IonicContact CZ-OE1 2.68Å; R347-E359 IonicContact NH1-OE1 3.87Å; R347-E359 PolarHBondContact NH1-OE1 3.41Å
348K86Confident83Confident18 Ų1875.8 Ų75.88%0.07838%0.376CS..Hα-helixtrans-59.6-29.1174.5-74.5-172.8180-171.10112.5E133 N344 V345 R356E133-K348 IonicContact OE1-NZ 3.32Å; E133-K348 IonicContact OE2-NZ 3.34Å; E133-K348 PolarHBondContact OE2-NZ 2.66Å; N344-K348 WeakPolarHBondContact O-CB 3.17Å; N344-K348 WeakPolarHBondContact O-CG 3.35Å; N344-K348 PolarHBondContact O-N 2.89Å; V345-K348 PolarHBondContact O-N 3.44Å; K348-R356 PolarHBondContact O-NH1 3.48Å; K348-R356 PolarHBondContact O-NH2 2.77Å
349Q83.2Confident81.6Confident102 Ų10272.4 Ų72.448%0.47736%0.364SS..Hα-helixtrans-77.8-27.7175.8-76.4-178.94.900114V345 Q346 R347 R351V345-Q349 WeakPolarHBondContact O-CG 3.34Å; V345-Q349 PolarHBondContact O-N 2.89Å; Q346-Q349 PolarHBondContact O-N 2.94Å; R347-Q349 PolarHBondContact O-N 3.43Å; Q349-R351 VanDerWaalsContact C-N 3.33Å
350A79.7Confident80.1Confident89 Ų8971.6 Ų71.674%0.73636%0.361SS*.Hα-helixtrans-81.2-14.6-179.800000113.6Q346 R347Q346-A350 PolarHBondContact O-N 2.71Å; R347-A350 PolarHBondContact O-N 2.87Å; R347-A350 VanDerWaalsContact O-N 3.11Å
351R76.1Confident78.5Confident73 Ų7376.5 Ų76.528%0.27538%0.382SS..SBendtrans-84.1151-175.1-81-174.9154.498.1-1.9114.2R347 Q349 E355 E359R347-R351 PolarHBondContact O-N 2.77Å; Q349-R351 VanDerWaalsContact C-N 3.33Å; R351-E355 HydrophobicContact CB-CB 4.02Å; R351-E355 WeakPolarHBondContact CD-O 3.35Å; R351-E355 HydrophobicContact CG-CB 3.96Å; R351-E355 PolarHBondContact NE-O 2.85Å; R351-E359 IonicContact CZ-OE1 3.82Å; R351-E359 IonicContact CZ-OE2 3.75Å; R351-E359 IonicContact NE-OE1 2.75Å; R351-E359 IonicContact NE-OE2 2.7Å; R351-E359 PolarHBondContact NE-OE2 2.95Å; R351-E359 IonicContact NH1-OE1 2.75Å; R351-E359 PolarHBondContact NH1-OE1 3.33Å; R351-E359 IonicContact NH1-OE2 2.9Å; R351-E359 PolarHBondContact NH1-OE2 3.44Å; R351-E359 IonicContact NH2-OE1 3.25Å; R351-E359 PolarHBondContact NH2-OE1 3.24Å; R351-E359 IonicContact NH2-OE2 3.91Å
352T71.5Confident76.8Confident80 Ų8081.3 Ų81.349%0.49140%0.404SS..  trans-74166.1165.961.70000110.9E354 E355 R356T352-E354 PolarHBondContact O-N 2.83Å; T352-E355 PolarHBondContact N-OE2 3.02Å; T352-E355 PolarHBondContact O-N 3.4Å; T352-E355 VanDerWaalsContact OG1-CG 3.32Å; T352-E355 WeakPolarHBondContact OG1-CG 3.32Å; T352-E355 PolarHBondContact OG1-OE2 2.89Å; T352-R356 PolarHBondContact O-N 3.09Å
353G72.9Confident75Confident52 Ų5280.9 Ų80.954%0.53640%0.403SS..Hα-helixtrans-58.8-43.6-177.200000113.6R356 E357G353-R356 WeakPolarHBondContact O-CB 3.33Å; G353-R356 PolarHBondContact O-N 3.29Å; G353-E357 PolarHBondContact O-N 2.92Å
354E66.1Low73.3Confident153 Ų15382.4 Ų82.472%0.71541%0.412SS*.Hα-helixtrans-64.5-43.6178.9-66.4174.4171.200111.6T352 R356 E357 E358T352-E354 PolarHBondContact O-N 2.83Å; E354-R356 PolarHBondContact O-N 3.36Å; E354-E357 PolarHBondContact O-N 3.07Å; E354-E358 PolarHBondContact O-N 3.37Å; E354-E358 VanDerWaalsContact O-N 3.16Å
355E72.5Confident71.4Confident87 Ų8784.9 Ų84.941%0.40743%0.43SS..Hα-helixtrans-65.7-20.1177-68.8168.7154.500113.2R351 T352 E359R351-E355 HydrophobicContact CB-CB 4.02Å; R351-E355 WeakPolarHBondContact CD-O 3.35Å; R351-E355 HydrophobicContact CG-CB 3.96Å; R351-E355 PolarHBondContact NE-O 2.85Å; T352-E355 PolarHBondContact N-OE2 3.02Å; T352-E355 PolarHBondContact O-N 3.4Å; T352-E355 VanDerWaalsContact OG1-CG 3.32Å; T352-E355 WeakPolarHBondContact OG1-CG 3.32Å; T352-E355 PolarHBondContact OG1-OE2 2.89Å; E355-E359 PolarHBondContact O-N 2.87Å
356R64.9Low69.3Low94 Ų9487.6 Ų87.636%0.35544%0.441SS..Hα-helixtrans-78.1-43.3176.8-167.7-168.6-13690.53.9110.8K348 T352 G353 E354 E359 E360K348-R356 PolarHBondContact O-NH1 3.48Å; K348-R356 PolarHBondContact O-NH2 2.77Å; T352-R356 PolarHBondContact O-N 3.09Å; G353-R356 WeakPolarHBondContact O-CB 3.33Å; G353-R356 PolarHBondContact O-N 3.29Å; E354-R356 PolarHBondContact O-N 3.36Å; R356-E359 PolarHBondContact O-N 2.94Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.25Å; R356-E360 VanDerWaalsContact O-N 3.1Å
357E66.4Low67.4Low132 Ų13283.9 Ų83.962%0.61743%0.427SS*.Hα-helixtrans-65.3-44.5178.3-68.1176.2-174.700110.9G353 E354 E359 E360 E361G353-E357 PolarHBondContact O-N 2.92Å; E354-E357 PolarHBondContact O-N 3.07Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.45Å; E357-E360 PolarHBondContact O-N 2.89Å; E357-E361 PolarHBondContact O-N 3.17Å; E357-E361 VanDerWaalsContact O-N 3.16Å
358E67.5Low65.6Low121 Ų12185.5 Ų85.557%0.56544%0.439SS*.Hα-helixtrans-59.5-38.4175.7-70.9179.3173.600112.1E354 E361 E362E354-E358 PolarHBondContact O-N 3.37Å; E354-E358 VanDerWaalsContact O-N 3.16Å; E358-E361 PolarHBondContact O-N 2.76Å; E358-E362 WeakPolarHBondContact O-CB 3.23Å; E358-E362 WeakPolarHBondContact O-CG 3.33Å; E358-E362 PolarHBondContact O-N 2.88Å
359E67.4Low63.7Low13 Ų1388.2 Ų88.26%0.06146%0.46CS..Hα-helixtrans-73.2-32.5178.7-118.6-161.4177.900113.7R347 R351 E355 R356 E357 E361 E362 Q363R347-E359 WeakPolarHBondContact CD-OE1 3.35Å; R347-E359 IonicContact CZ-OE1 2.68Å; R347-E359 IonicContact NH1-OE1 3.87Å; R347-E359 PolarHBondContact NH1-OE1 3.41Å; R351-E359 IonicContact CZ-OE1 3.82Å; R351-E359 IonicContact CZ-OE2 3.75Å; R351-E359 IonicContact NE-OE1 2.75Å; R351-E359 IonicContact NE-OE2 2.7Å; R351-E359 PolarHBondContact NE-OE2 2.95Å; R351-E359 IonicContact NH1-OE1 2.75Å; R351-E359 PolarHBondContact NH1-OE1 3.33Å; R351-E359 IonicContact NH1-OE2 2.9Å; R351-E359 PolarHBondContact NH1-OE2 3.44Å; R351-E359 IonicContact NH2-OE1 3.25Å; R351-E359 PolarHBondContact NH2-OE1 3.24Å; R351-E359 IonicContact NH2-OE2 3.91Å; E355-E359 PolarHBondContact O-N 2.87Å; R356-E359 PolarHBondContact O-N 2.94Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.45Å; E359-E361 VanDerWaalsContact C-N 3.28Å; E359-E362 PolarHBondContact O-N 2.94Å; E359-Q363 VanDerWaalsContact O-CB 3.29Å; E359-Q363 WeakPolarHBondContact O-CB 3.23Å; E359-Q363 VanDerWaalsContact O-CG 3.27Å; E359-Q363 WeakPolarHBondContact O-CG 3.23Å; E359-Q363 PolarHBondContact O-N 3.42Å
360E64.4Low62.2Low87 Ų8787.7 Ų87.741%0.40746%0.458SS..Hα-helixtrans-64.8-38.5174.2-74.9170.1-166.700110R356 E357 I364R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.25Å; R356-E360 VanDerWaalsContact O-N 3.1Å; E357-E360 PolarHBondContact O-N 2.89Å; E360-I364 WeakPolarHBondContact O-CD1 3.5Å; E360-I364 WeakPolarHBondContact O-CG1 3.24Å; E360-I364 PolarHBondContact O-N 2.92Å
361E61.4Low60.7Low146 Ų14686.8 Ų86.868%0.68244%0.44SS*.Hα-helixtrans-67.8-43.3171.6-67.2-175175.700112.3E357 E358 E359 I364 S365E357-E361 PolarHBondContact O-N 3.17Å; E357-E361 VanDerWaalsContact O-N 3.16Å; E358-E361 PolarHBondContact O-N 2.76Å; E359-E361 VanDerWaalsContact C-N 3.28Å; E361-I364 PolarHBondContact O-N 3.35Å; E361-S365 PolarHBondContact O-N 3.07Å
362E60.2Low59.3Low105 Ų10591.3 Ų91.349%0.49147%0.465SS..Hα-helixtrans-66.3-40177.7-77-178.7170.200112.1E358 E359 I364 S365 E366E358-E362 WeakPolarHBondContact O-CB 3.23Å; E358-E362 WeakPolarHBondContact O-CG 3.33Å; E358-E362 PolarHBondContact O-N 2.88Å; E359-E362 PolarHBondContact O-N 2.94Å; E362-I364 VanDerWaalsContact C-N 3.29Å; E362-I364 PolarHBondContact O-N 2.94Å; E362-S365 CarbonylContact O-C 3.24Å; E362-S365 WeakPolarHBondContact O-CA 3.44Å; E362-S365 PolarHBondContact O-N 3.32Å; E362-S365 PolarHBondContact O-OG 2.99Å; E362-E366 PolarHBondContact O-N 3.34Å
363Q58.8Low58.2Low35 Ų3596.3 Ų96.316%0.16448%0.482CS..Hα-helixtrans-61.5-36.6179.1-82.1-177.2600112.3N344 E359 S365 S367N344-Q363 PolarHBondContact OD1-NE2 3.42Å; E359-Q363 VanDerWaalsContact O-CB 3.29Å; E359-Q363 WeakPolarHBondContact O-CB 3.23Å; E359-Q363 VanDerWaalsContact O-CG 3.27Å; E359-Q363 WeakPolarHBondContact O-CG 3.23Å; E359-Q363 PolarHBondContact O-N 3.42Å; Q363-S365 VanDerWaalsContact C-N 3.29Å; Q363-S365 PolarHBondContact O-N 3.19Å; Q363-S367 PolarHBondContact O-N 3.35Å
364I56.8Low57Low119 Ų119100.9 Ų100.961%0.6150%0.495SS*.Hα-helixtrans-61-42.9172.1-64.3164.4000109.5E360 E361 E362 S367E360-I364 WeakPolarHBondContact O-CD1 3.5Å; E360-I364 WeakPolarHBondContact O-CG1 3.24Å; E360-I364 PolarHBondContact O-N 2.92Å; E361-I364 PolarHBondContact O-N 3.35Å; E362-I364 VanDerWaalsContact C-N 3.29Å; E362-I364 PolarHBondContact O-N 2.94Å; I364-S367 PolarHBondContact O-OG 3.24Å
365S52Low56.3Low56 Ų56101.2 Ų101.239%0.39250%0.496SS..Hα-helixtrans-77.5-33.6-179.783.30000115E361 E362 Q363 S367 E368 S369E361-S365 PolarHBondContact O-N 3.07Å; E362-S365 CarbonylContact O-C 3.24Å; E362-S365 WeakPolarHBondContact O-CA 3.44Å; E362-S365 PolarHBondContact O-N 3.32Å; E362-S365 PolarHBondContact O-OG 2.99Å; Q363-S365 VanDerWaalsContact C-N 3.29Å; Q363-S365 PolarHBondContact O-N 3.19Å; S365-S367 VanDerWaalsContact C-N 3.29Å; S365-S367 PolarHBondContact O-N 2.87Å; S365-E368 WeakPolarHBondContact O-CA 3.49Å; S365-E368 WeakPolarHBondContact O-CB 3.25Å; S365-E368 PolarHBondContact O-N 3.02Å; S365-S369 PolarHBondContact O-N 3.35Å; S365-S369 PolarHBondContact O-OG 2.9Å
366E49.3Very low55.4Low77 Ų77105.5 Ų105.536%0.3652%0.52SS..Hα-helixtrans-68-34.4178-80.2-168.415900109.8E362 E368 S369E362-E366 PolarHBondContact O-N 3.34Å; E366-E368 PolarHBondContact O-N 3.08Å; E366-S369 PolarHBondContact O-N 3.42Å; E366-S369 VanDerWaalsContact O-N 3.1Å
367S50.8Low54.9Low29 Ų29104.1 Ų104.120%0.20352%0.519CS..THydrogen-bonded Turntrans-57.2-18.3171.6810000113.4R34 Q363 I364 S365R34-S367 PolarHBondContact NH2-OG 3.49Å; Q363-S367 PolarHBondContact O-N 3.35Å; I364-S367 PolarHBondContact O-OG 3.24Å; S365-S367 VanDerWaalsContact C-N 3.29Å; S365-S367 PolarHBondContact O-N 2.87Å
368E50.9Low54.9Low127 Ų127107.4 Ų107.459%0.59353%0.527SS*.THydrogen-bonded Turntrans-106.4-8.9179.7-57.9-170.116100114.6R34 S365 E366R34-E368 IonicContact NH1-OE1 3.95Å; S365-E368 WeakPolarHBondContact O-CA 3.49Å; S365-E368 WeakPolarHBondContact O-CB 3.25Å; S365-E368 PolarHBondContact O-N 3.02Å; E366-E368 PolarHBondContact O-N 3.08Å
369S45.7Very low55.3Low76 Ų76103.3 Ų103.353%0.53151%0.509SS..THydrogen-bonded Turntrans-143.825.2-162.861.60000118.6S365 E366 D371S365-S369 PolarHBondContact O-N 3.35Å; S365-S369 PolarHBondContact O-OG 2.9Å; E366-S369 PolarHBondContact O-N 3.42Å; E366-S369 VanDerWaalsContact O-N 3.1Å; S369-D371 PolarHBondContact O-N 3.27Å
370E51.2Low55.5Low91 Ų91107.3 Ų107.343%0.42554%0.537SS..  trans-673.9-177.9-77-173.6156.500117.6R138R138-E370 IonicContact CZ-OE1 2.75Å; R138-E370 IonicContact NH1-OE1 2.95Å; R138-E370 PolarHBondContact NH1-OE1 3Å; R138-E370 IonicContact NH2-OE1 3.96Å; R138-E370 PolarHBondContact NH2-OE1 3.01Å
371D47.4Very low55.7Low69 Ų69110 Ų11037%0.36955%0.547SS..  trans-122.728.1-154.5-133.821.8000117.9K29 S31 S369K29-D371 IonicContact NZ-OD2 2.61Å; K29-D371 PolarHBondContact NZ-OD2 3.34Å; S31-D371 WeakPolarHBondContact CA-OD2 3.43Å; S31-D371 WeakPolarHBondContact CB-OD2 3.44Å; S369-D371 PolarHBondContact O-N 3.27Å
372E47Very low56.2Low169 Ų169108.8 Ų108.879%0.7955%0.545SS*.SBendtrans-97.4-8.5173.7-77.5-162.4170.700116.2
373E49.1Very low57.1Low184 Ų184104.7 Ų104.786%0.8653%0.527SS*.SBendtrans-100.8-1.6-167.6-71.2-160.4153.700117.7
374N46.9Very low57.9Low149 Ų149105.1 Ų105.180%0.79753%0.532SS*.  trans-120.611.9-170.3-73.9-46.5000117.9
375E51.6Low59Low159 Ų159103.7 Ų103.774%0.74353%0.525SS*.SBendtrans-89.6120.3164-73.7-165.5166.900111I377E375-I377 VanDerWaalsContact C-N 3.29Å; E375-I377 PolarHBondContact O-N 3.44Å
376I53.9Low60.1Low177 Ų177102.1 Ų102.191%0.90852%0.518SS*.  trans-67.987177-56.5172.1000109.3Y378I376-Y378 PolarHBondContact O-N 2.92Å
377I54.6Low61.4Low66 Ų66110.2 Ų110.234%0.33855%0.545SS..  trans-68.6125175.8-65.4142.9000109.3E375 N379 L385 G389 P391E375-I377 VanDerWaalsContact C-N 3.29Å; E375-I377 PolarHBondContact O-N 3.44Å; I377-N379 PolarHBondContact O-N 2.98Å; I377-L385 HydrophobicContact CD1-CD1 4.04Å; I377-L385 HydrophobicContact CG2-CD2 4.45Å; I377-G389 WeakPolarHBondContact CD1-O 3.49Å; I377-P391 HydrophobicContact CG2-CG 4.19Å
378Y66.9Low62.8Low201 Ų201112.6 Ų112.679%0.78856%0.556SS**  trans-62.896.8178.6-178.3-103.2000111.4I376 P380I376-Y378 PolarHBondContact O-N 2.92Å; Y378-P380 HydrophobicContact CD1-CG 4.2Å; Y378-P380 HydrophobicContact CE1-CB 4.44Å; Y378-P380 HydrophobicContact CE1-CG 3.68Å; Y378-P380 WeakPolarHBondContact O-CD 3.13Å
379N75.2Confident63.8Low35 Ų35107.6 Ų107.619%0.18754%0.538CS..  trans-123.170.5-176.2-172.76.7000112.2I377 K381 N382 L383 P391I377-N379 PolarHBondContact O-N 2.98Å; N379-K381 PolarHBondContact O-N 3.45Å; N379-N382 PolarHBondContact O-N 3.5Å; N379-N382 PolarHBondContact OD1-N 3.22Å; N379-L383 PolarHBondContact ND2-N 3.24Å; N379-L383 PolarHBondContact ND2-O 3.09Å; N379-L383 PolarHBondContact OD1-N 3.06Å; N379-P391 HydrophobicContact CB-CG 3.81Å
380P70.9Confident65.4Low97 Ų97110.3 Ų110.363%0.6354%0.541SS*.THydrogen-bonded Turntrans-65.5-15-171.526-35.9000114.7Y378Y378-P380 HydrophobicContact CD1-CG 4.2Å; Y378-P380 HydrophobicContact CE1-CB 4.44Å; Y378-P380 HydrophobicContact CE1-CG 3.68Å; Y378-P380 WeakPolarHBondContact O-CD 3.13Å
381K69.7Low66.8Low142 Ų142108 Ų10862%0.61753%0.533SS*.THydrogen-bonded Turntrans-103.24.4175.4-71.7-174.9178.8177.80113.3N379 L383N379-K381 PolarHBondContact O-N 3.45Å; K381-L383 HydrophobicContact CB-CD1 3.98Å; K381-L383 HydrophobicContact CB-CD2 4.46Å; K381-L383 HydrophobicContact CB-CG 3.8Å; K381-L383 HydrophobicContact CD-CD1 4.44Å; K381-L383 PolarHBondContact O-N 3.26Å
382N70.4Confident68.5Low122 Ų122105.7 Ų105.765%0.65252%0.521SS*.  trans47.143.2-177.5-150.38.9000112.6N379N379-N382 PolarHBondContact O-N 3.5Å; N379-N382 PolarHBondContact OD1-N 3.22Å
383L80.5Confident70.2Confident19 Ų19101 Ų10110%0.09951%0.505CS..PPolyproline II helixtrans-76.6147.2179.5-65.6167.7000109.7N379 K381 P391 Y394 Y397N379-L383 PolarHBondContact ND2-N 3.24Å; N379-L383 PolarHBondContact ND2-O 3.09Å; N379-L383 PolarHBondContact OD1-N 3.06Å; K381-L383 HydrophobicContact CB-CD1 3.98Å; K381-L383 HydrophobicContact CB-CD2 4.46Å; K381-L383 HydrophobicContact CB-CG 3.8Å; K381-L383 HydrophobicContact CD-CD1 4.44Å; K381-L383 PolarHBondContact O-N 3.26Å; L383-P391 HydrophobicContact CB-CB 4.2Å; L383-Y394 HydrophobicContact CD1-CD2 4.43Å; L383-Y394 HydrophobicContact CD2-CD2 3.92Å; L383-Y397 HydrophobicContact CD2-CD1 3.8Å; L383-Y397 HydrophobicContact CD2-CD2 4.14Å; L383-Y397 HydrophobicContact CD2-CE1 4.26Å; L383-Y397 HydrophobicContact CD2-CG 3.74Å
384P74Confident71.8Confident43 Ų4397.5 Ų97.528%0.27949%0.485SS..PPolyproline II helixtrans-53.8143.2173.6-24.334.6000111.3I392 Y397 L402P384-I392 HydrophobicContact CB-CD1 4.04Å; P384-I392 HydrophobicContact CB-CG1 4.45Å; P384-I392 HydrophobicContact CG-CD1 4.15Å; P384-I392 WeakPolarHBondContact O-CG1 3.47Å; P384-I392 WeakPolarHBondContact O-CG2 3.45Å; P384-I392 PolarHBondContact O-N 3.13Å; P384-Y397 HydrophobicContact CG-CD2 3.99Å; P384-Y397 HydrophobicContact CG-CE2 4.11Å; P384-L402 HydrophobicContact CG-CD1 4.23Å
385L80Confident73.8Confident89 Ų8998.1 Ų98.147%0.46648%0.476SS..BIsolated β-bridgetrans-79.4142.5175.5-57.1178.9000109.6I377 K390 P391I377-L385 HydrophobicContact CD1-CD1 4.04Å; I377-L385 HydrophobicContact CG2-CD2 4.45Å; L385-K390 CarbonylContact C-O 3.57Å; L385-K390 WeakPolarHBondContact CA-O 3.36Å; L385-P391 HydrophobicContact CD2-CB 4.38Å; L385-P391 HydrophobicContact CD2-CG 3.93Å
386G76.3Confident75.3Confident23 Ų2392.9 Ų92.924%0.23745%0.453CS..  trans-77.8-178.517200000111.6D388 G389 K390G386-D388 PolarHBondContact O-N 3.46Å; G386-D388 VanDerWaalsContact O-N 3.15Å; G386-G389 PolarHBondContact O-N 3.38Å; G386-G389 VanDerWaalsContact O-N 3.13Å; G386-K390 PolarHBondContact N-O 3.42Å
387W77Confident76.7Confident247 Ų24786.2 Ų86.294%0.93642%0.416SS*.THydrogen-bonded Turntrans-65.4-9.2173.264.1-87.8000113.4
388D78.6Confident78.2Confident80 Ų8088.2 Ų88.243%0.42842%0.422SS..THydrogen-bonded Turntrans-98.79.6176.467.2-22.8000112.8G386 K390G386-D388 PolarHBondContact O-N 3.46Å; G386-D388 VanDerWaalsContact O-N 3.15Å; D388-K390 PolarHBondContact O-N 3.16Å; D388-K390 VanDerWaalsContact O-N 3.11Å; D388-K390 PolarHBondContact OD1-N 3.36Å; D388-K390 VanDerWaalsContact OD1-N 3.12Å
389G73.2Confident79.1Confident22 Ų2284.3 Ų84.323%0.22742%0.415CS..SBendtrans68.71.3-17500000114.4I377 G386I377-G389 WeakPolarHBondContact CD1-O 3.49Å; G386-G389 PolarHBondContact O-N 3.38Å; G386-G389 VanDerWaalsContact O-N 3.13Å
390K79.8Confident79.4Confident133 Ų13387 Ų8758%0.57843%0.426SS*.SBendtrans-98.8150.8-177.9-64.2174.3-173.41640111.2L385 G386 D388 I392L385-K390 CarbonylContact C-O 3.57Å; L385-K390 WeakPolarHBondContact CA-O 3.36Å; G386-K390 PolarHBondContact N-O 3.42Å; D388-K390 PolarHBondContact O-N 3.16Å; D388-K390 VanDerWaalsContact O-N 3.11Å; D388-K390 PolarHBondContact OD1-N 3.36Å; D388-K390 VanDerWaalsContact OD1-N 3.12Å; K390-I392 PolarHBondContact O-N 3.11Å
391P80.7Confident80.1Confident42 Ų4282.7 Ų82.727%0.27340%0.4SS..BIsolated β-bridgetrans-58.3125.9177.1-23.533.9000111.6I377 N379 L383 L385I377-P391 HydrophobicContact CG2-CG 4.19Å; N379-P391 HydrophobicContact CB-CG 3.81Å; L383-P391 HydrophobicContact CB-CB 4.2Å; L385-P391 HydrophobicContact CD2-CB 4.38Å; L385-P391 HydrophobicContact CD2-CG 3.93Å
392I81.8Confident80.8Confident21 Ų2178 Ų7811%0.10838%0.381CS..PPolyproline II helixtrans-58.9146.7-179.165.4179000111.1P384 K390 Y394 Y397 L402P384-I392 HydrophobicContact CB-CD1 4.04Å; P384-I392 HydrophobicContact CB-CG1 4.45Å; P384-I392 HydrophobicContact CG-CD1 4.15Å; P384-I392 WeakPolarHBondContact O-CG1 3.47Å; P384-I392 WeakPolarHBondContact O-CG2 3.45Å; P384-I392 PolarHBondContact O-N 3.13Å; K390-I392 PolarHBondContact O-N 3.11Å; I392-Y394 PolarHBondContact O-N 3.34Å; I392-Y397 HydrophobicContact CD1-CD2 4.4Å; I392-L402 HydrophobicContact CD1-CD1 3.73Å
393P83.8Confident81.4Confident69 Ų6975.8 Ų75.845%0.44837%0.369SS..PPolyproline II helixtrans-53.8136.5174.7-27.334.9000112.4W395 L396 Y397P393-W395 HydrophobicContact CB-CG 4.48Å; P393-W395 PolarHBondContact O-N 3.49Å; P393-W395 VanDerWaalsContact O-N 3.09Å; P393-L396 HydrophobicContact CB-CB 4.41Å; P393-L396 WeakPolarHBondContact O-CA 3.33Å; P393-L396 WeakPolarHBondContact O-CB 3.25Å; P393-L396 PolarHBondContact O-N 2.95Å; P393-Y397 PolarHBondContact O-N 2.78Å; P393-Y397 VanDerWaalsContact O-N 3.13Å
394Y82.9Confident81.8Confident111 Ų11178.4 Ų78.444%0.43538%0.382SS..Hα-helixtrans-57.3-30.2-175.1-176.4-109000114.3L383 I392 Y397 K398L383-Y394 HydrophobicContact CD1-CD2 4.43Å; L383-Y394 HydrophobicContact CD2-CD2 3.92Å; I392-Y394 PolarHBondContact O-N 3.34Å; Y394-Y397 HydrophobicContact CD2-CD1 4.29Å; Y394-Y397 HydrophobicContact CE2-CD1 4.23Å; Y394-Y397 WeakPolarHBondContact O-CB 3.1Å; Y394-K398 HydrophobicContact CE1-CD 4.01Å; Y394-K398 VanDerWaalsContact CE1-CE 3.45Å; Y394-K398 HydrophobicContact CE1-CG 4.49Å; Y394-K398 VanDerWaalsContact CZ-CE 3.46Å; Y394-K398 PolarHBondContact O-N 2.88Å; Y394-K398 VanDerWaalsContact O-N 3.16Å; Y394-K398 WeakPolarHBondContact OH-CE 3.46Å; Y394-K398 PolarHBondContact OH-NZ 3.12Å
395W87.1Confident82.6Confident163 Ų16380.8 Ų80.862%0.61739%0.393SS*.Hα-helixtrans-71.3-33.6174.969.4-91.1000112P393 K398 L399P393-W395 HydrophobicContact CB-CG 4.48Å; P393-W395 PolarHBondContact O-N 3.49Å; P393-W395 VanDerWaalsContact O-N 3.09Å; W395-K398 PolarHBondContact O-N 3.24Å; W395-L399 HydrophobicContact CE3-CB 4.49Å; W395-L399 HydrophobicContact CE3-CD2 4.13Å; W395-L399 HydrophobicContact CZ3-CD2 3.7Å; W395-L399 WeakPolarHBondContact O-CB 3.39Å; W395-L399 PolarHBondContact O-N 3.11Å
396L84.5Confident83.2Confident48 Ų4880.1 Ų80.125%0.25139%0.385SS..Hα-helixtrans-66.1-43174.6-13698.5000110.2P393 K398 L399 H400P393-L396 HydrophobicContact CB-CB 4.41Å; P393-L396 WeakPolarHBondContact O-CA 3.33Å; P393-L396 WeakPolarHBondContact O-CB 3.25Å; P393-L396 PolarHBondContact O-N 2.95Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.8Å; L396-L399 PolarHBondContact O-N 3.13Å; L396-H400 PolarHBondContact O-CD2 3.24Å; L396-H400 PolarHBondContact O-N 3.15Å
397Y82.5Confident84.1Confident37 Ų3783.5 Ų83.515%0.14540%0.398CS..Hα-helixtrans-55.6-45.7173.7176.4-108.2000112L383 P384 I392 P393 Y394 L402 N403L383-Y397 HydrophobicContact CD2-CD1 3.8Å; L383-Y397 HydrophobicContact CD2-CD2 4.14Å; L383-Y397 HydrophobicContact CD2-CE1 4.26Å; L383-Y397 HydrophobicContact CD2-CG 3.74Å; P384-Y397 HydrophobicContact CG-CD2 3.99Å; P384-Y397 HydrophobicContact CG-CE2 4.11Å; I392-Y397 HydrophobicContact CD1-CD2 4.4Å; P393-Y397 PolarHBondContact O-N 2.78Å; P393-Y397 VanDerWaalsContact O-N 3.13Å; Y394-Y397 HydrophobicContact CD2-CD1 4.29Å; Y394-Y397 HydrophobicContact CE2-CD1 4.23Å; Y394-Y397 WeakPolarHBondContact O-CB 3.1Å; Y397-L402 HydrophobicContact CD2-CB 3.36Å; Y397-L402 HydrophobicContact CD2-CD1 4.19Å; Y397-L402 HydrophobicContact CD2-CG 4.41Å; Y397-L402 VanDerWaalsContact CE2-C 3.4Å; Y397-L402 HydrophobicContact CE2-CB 3.42Å; Y397-L402 VanDerWaalsContact CE2-CB 3.42Å; Y397-L402 WeakPolarHBondContact CE2-O 3.48Å; Y397-L402 HydrophobicContact CG-CB 4.27Å; Y397-L402 VanDerWaalsContact CZ-O 3.32Å; Y397-L402 WeakPolarHBondContact O-CB 3.43Å; Y397-L402 PolarHBondContact O-N 2.98Å; Y397-L402 PolarHBondContact OH-O 3.32Å; Y397-L402 VanDerWaalsContact OH-O 3.05Å; Y397-N403 HydrophobicContact CD1-CB 4.14Å; Y397-N403 HydrophobicContact CE1-CB 3.5Å; Y397-N403 VanDerWaalsContact CE1-CB 3.5Å; Y397-N403 WeakPolarHBondContact OH-CA 3.46Å
398K85.6Confident85Confident108 Ų10871.8 Ų71.847%0.4735%0.353SS..Hα-helixtrans-71-40.8174.4-77-169.4172.81800113.5Y394 W395 L396 H400 G401Y394-K398 HydrophobicContact CE1-CD 4.01Å; Y394-K398 VanDerWaalsContact CE1-CE 3.45Å; Y394-K398 HydrophobicContact CE1-CG 4.49Å; Y394-K398 VanDerWaalsContact CZ-CE 3.46Å; Y394-K398 PolarHBondContact O-N 2.88Å; Y394-K398 VanDerWaalsContact O-N 3.16Å; Y394-K398 WeakPolarHBondContact OH-CE 3.46Å; Y394-K398 PolarHBondContact OH-NZ 3.12Å; W395-K398 PolarHBondContact O-N 3.24Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.8Å; K398-H400 PolarHBondContact O-N 3.39Å; K398-G401 PolarHBondContact O-N 3.14Å; K398-G401 VanDerWaalsContact O-N 3.11Å
399L85.8Confident85.8Confident120 Ų12071.6 Ų71.663%0.62835%0.35SS*.Hα-helixtrans-63.1-42.8-177.4179.465.3000111.6W395 L396 G401W395-L399 HydrophobicContact CE3-CB 4.49Å; W395-L399 HydrophobicContact CE3-CD2 4.13Å; W395-L399 HydrophobicContact CZ3-CD2 3.7Å; W395-L399 WeakPolarHBondContact O-CB 3.39Å; W395-L399 PolarHBondContact O-N 3.11Å; L396-L399 PolarHBondContact O-N 3.13Å; L399-G401 PolarHBondContact O-N 3.37Å
400H83.2Confident86.9Confident90 Ų9071.1 Ų71.142%0.41734%0.342SS..THydrogen-bonded Turntrans-79.82.3176.9-70.1-60.1000113.7L396 K398 L402L396-H400 PolarHBondContact O-CD2 3.24Å; L396-H400 PolarHBondContact O-N 3.15Å; K398-H400 PolarHBondContact O-N 3.39Å; H400-L402 HydrophobicContact CB-CD1 4.25Å; H400-L402 HydrophobicContact CB-CG 4.08Å; H400-L402 PolarHBondContact O-N 2.94Å
401G84.5Confident87.6Confident8 Ų865.2 Ų65.28%0.08232%0.317CS..THydrogen-bonded Turntrans67.818.1179.200000113.9K398 L399 N403 I404 G418K398-G401 PolarHBondContact O-N 3.14Å; K398-G401 VanDerWaalsContact O-N 3.11Å; L399-G401 PolarHBondContact O-N 3.37Å; G401-N403 PolarHBondContact O-N 3.27Å; G401-N403 VanDerWaalsContact O-N 3.1Å; G401-I404 WeakPolarHBondContact O-CB 3.25Å; G401-I404 PolarHBondContact O-N 3.48Å; G401-G418 WeakPolarHBondContact O-CA 3.26Å
402L84.7Confident88.1Confident44 Ų4466.5 Ų66.523%0.2334%0.338CS..THydrogen-bonded Turntrans-67.1-9.5179.9-64.7170.5000112.6P384 I392 Y397 H400 I404P384-L402 HydrophobicContact CG-CD1 4.23Å; I392-L402 HydrophobicContact CD1-CD1 3.73Å; Y397-L402 HydrophobicContact CD2-CB 3.36Å; Y397-L402 HydrophobicContact CD2-CD1 4.19Å; Y397-L402 HydrophobicContact CD2-CG 4.41Å; Y397-L402 VanDerWaalsContact CE2-C 3.4Å; Y397-L402 HydrophobicContact CE2-CB 3.42Å; Y397-L402 VanDerWaalsContact CE2-CB 3.42Å; Y397-L402 WeakPolarHBondContact CE2-O 3.48Å; Y397-L402 HydrophobicContact CG-CB 4.27Å; Y397-L402 VanDerWaalsContact CZ-O 3.32Å; Y397-L402 WeakPolarHBondContact O-CB 3.43Å; Y397-L402 PolarHBondContact O-N 2.98Å; Y397-L402 PolarHBondContact OH-O 3.32Å; Y397-L402 VanDerWaalsContact OH-O 3.05Å; H400-L402 HydrophobicContact CB-CD1 4.25Å; H400-L402 HydrophobicContact CB-CG 4.08Å; H400-L402 PolarHBondContact O-N 2.94Å; L402-I404 VanDerWaalsContact C-N 3.32Å
403N82.2Confident88.6Confident75 Ų7570.8 Ų70.840%0.40136%0.361SS..THydrogen-bonded Turntrans-82.4-4.8169.770.1-65.8000114.2Y397 G401Y397-N403 HydrophobicContact CD1-CB 4.14Å; Y397-N403 HydrophobicContact CE1-CB 3.5Å; Y397-N403 VanDerWaalsContact CE1-CB 3.5Å; Y397-N403 WeakPolarHBondContact OH-CA 3.46Å; G401-N403 PolarHBondContact O-N 3.27Å; G401-N403 VanDerWaalsContact O-N 3.1Å
404I88.9Confident89Confident73 Ų7372.7 Ų72.737%0.37436%0.36SS..  trans-103127.3178.8-54.1175.2000107.9G401 L402 Y406 G418G401-I404 WeakPolarHBondContact O-CB 3.25Å; G401-I404 PolarHBondContact O-N 3.48Å; L402-I404 VanDerWaalsContact C-N 3.32Å; I404-Y406 HydrophobicContact CB-CE2 4.19Å; I404-Y406 HydrophobicContact CG2-CD2 4.34Å; I404-Y406 HydrophobicContact CG2-CE1 4.44Å; I404-Y406 HydrophobicContact CG2-CE2 3.67Å; I404-G418 PolarHBondContact O-N 2.94Å
405N91Very high89.5Confident94 Ų9470.2 Ų70.250%0.50336%0.357SS..EExtended strand (participates in β ladder)trans-103.2132.7-179.5-68.8-19.7000109.6T415N405-T415 HydrophobicContact CB-CG2 3.61Å
406Y93.5Very high89.7Confident74 Ų7463 Ų6329%0.2933%0.329SS..EExtended strand (participates in β ladder)trans-118.6130.9174.3-62.1-89.8000109.2I404 T415 Y416 P419 F422I404-Y406 HydrophobicContact CB-CE2 4.19Å; I404-Y406 HydrophobicContact CG2-CD2 4.34Å; I404-Y406 HydrophobicContact CG2-CE1 4.44Å; I404-Y406 HydrophobicContact CG2-CE2 3.67Å; Y406-T415 CarbonylContact O-C 3.53Å; Y406-T415 WeakPolarHBondContact O-CA 3.44Å; Y406-Y416 PolarHBondContact N-O 3.47Å; Y406-Y416 PolarHBondContact O-N 3.28Å; Y406-P419 HydrophobicContact CE2-CB 4.46Å; Y406-P419 HydrophobicContact CE2-CG 4.18Å; Y406-F422 VanDerWaalsContact CB-CG 3.46Å; Y406-F422 AromaticContact CD1-CD1 3.94Å; Y406-F422 HydrophobicContact CD1-CD1 3.94Å; Y406-F422 HydrophobicContact CD1-CD2 4.49Å; Y406-F422 HydrophobicContact CD1-CE1 4.14Å; Y406-F422 HydrophobicContact CD1-CG 4.1Å; Y406-F422 HydrophobicContact CD1-CZ 4.47Å; Y406-F422 HydrophobicContact CD2-CB 3.78Å; Y406-F422 HydrophobicContact CD2-CD1 4.47Å; Y406-F422 HydrophobicContact CD2-CG 4.05Å; Y406-F422 HydrophobicContact CE1-CD1 4.48Å; Y406-F422 HydrophobicContact CG-CB 3.88Å; Y406-F422 AromaticContact CG-CD1 3.93Å; Y406-F422 HydrophobicContact CG-CD1 3.93Å; Y406-F422 AromaticContact CG-CD2 3.92Å; Y406-F422 HydrophobicContact CG-CD2 3.92Å; Y406-F422 HydrophobicContact CG-CE1 4.46Å; Y406-F422 HydrophobicContact CG-CE2 4.43Å; Y406-F422 AromaticContact CG-CG 3.62Å; Y406-F422 HydrophobicContact CG-CG 3.62Å
407N94.6Very high89.9Confident95 Ų9566.9 Ų66.951%0.50834%0.341SS..EExtended strand (participates in β ladder)trans-104142.6179.5-63.1-19000110.1T415N407-T415 WeakPolarHBondContact OD1-CB 3.31Å; N407-T415 WeakPolarHBondContact OD1-CG2 3.23Å; N407-T415 PolarHBondContact OD1-OG1 2.88Å
408C95.9Very high90.2Very high0 Ų065.2 Ų65.20%033%0.334CS..EExtended strand (participates in β ladder)trans-124116.1174.2-174.50000110.2C411 N413 Y414 Y416 H425 T450C408-C411 HydrophobicContact CB-CB 4Å; C408-C411 PolarHBondContact O-N 3.34Å; C408-C411 VanDerWaalsContact SG-SG 3.67Å; C408-N413 VanDerWaalsContact O-CA 3.24Å; C408-N413 WeakPolarHBondContact O-CA 3.39Å; C408-N413 PolarHBondContact O-N 3.35Å; C408-Y414 PolarHBondContact N-O 3.09Å; C408-Y414 VanDerWaalsContact N-O 3.14Å; C408-Y414 PolarHBondContact O-N 3.02Å; C408-Y416 HydrophobicContact CB-CD2 4.47Å; C408-Y416 HydrophobicContact CB-CE2 4.08Å; C408-H425 PolarHBondContact SG-NE2 2.75Å; C408-T450 HydrophobicContact CB-CG2 4.31Å
409E96.1Very high90.4Very high77 Ų7762.5 Ų62.536%0.3633%0.328SS..THydrogen-bonded Turntrans-66.6-40.8-178.1-164.9-170.2-18000110.9C411 G412 N413 T450 Q451 I452E409-C411 PolarHBondContact O-N 3.36Å; E409-G412 PolarHBondContact O-N 3.11Å; E409-N413 WeakPolarHBondContact CA-OD1 3.42Å; E409-T450 VanDerWaalsContact CB-O 3.24Å; E409-T450 WeakPolarHBondContact CB-O 3.17Å; E409-T450 PolarHBondContact N-O 3.33Å; E409-Q451 VanDerWaalsContact OE2-CA 3.26Å; E409-Q451 WeakPolarHBondContact OE2-CA 3.45Å; E409-I452 HydrophobicContact CB-CG1 4.32Å; E409-I452 HydrophobicContact CG-CD1 3.87Å; E409-I452 HydrophobicContact CG-CG1 3.94Å; E409-I452 PolarHBondContact OE2-N 3.49Å
410I94.8Very high90.6Very high12 Ų1264.8 Ų64.86%0.06233%0.333CS..THydrogen-bonded Turntrans-58.8-29.6176.2-63163.6000111.9G412 M435 L438 V449 T450 I452 A455I410-G412 VanDerWaalsContact C-N 3.28Å; I410-G412 PolarHBondContact O-N 3.44Å; I410-M435 HydrophobicContact CD1-SD 3.99Å; I410-M435 HydrophobicContact CG2-CG 4.12Å; I410-M435 HydrophobicContact CG2-SD 4.09Å; I410-L438 HydrophobicContact CG1-CD1 4.36Å; I410-V449 HydrophobicContact CD1-CG1 4.38Å; I410-V449 WeakPolarHBondContact CD1-O 3.49Å; I410-T450 PolarHBondContact N-O 2.9Å; I410-I452 HydrophobicContact CG1-CG1 4.02Å; I410-A455 HydrophobicContact CD1-CB 4.08Å
411C94.7Very high90.9Very high9 Ų962 Ų626%0.06133%0.325CS..THydrogen-bonded Turntrans-87.416.9176.8-66.20000113.9C408 E409 Y414 Y416 R430C408-C411 HydrophobicContact CB-CB 4Å; C408-C411 PolarHBondContact O-N 3.34Å; C408-C411 VanDerWaalsContact SG-SG 3.67Å; E409-C411 PolarHBondContact O-N 3.36Å; C411-Y414 WeakPolarHBondContact O-CB 3.31Å; C411-Y416 HydrophobicContact CB-CE2 4.34Å; C411-Y416 PolarHBondContact SG-OH 2.91Å; C411-Y416 VanDerWaalsContact SG-OH 3.4Å; C411-R430 HydrophobicContact CB-CG 4Å
412G92.1Very high91.3Very high68 Ų6863 Ų6370%0.70133%0.327SS*.THydrogen-bonded Turntrans75.436.8-175.900000113.2E409 I410 Y414E409-G412 PolarHBondContact O-N 3.11Å; I410-G412 VanDerWaalsContact C-N 3.28Å; I410-G412 PolarHBondContact O-N 3.44Å; G412-Y414 PolarHBondContact O-N 2.89Å
413N92.3Very high91.7Very high111 Ų11166.1 Ų66.159%0.59434%0.341SS*.SBendtrans58.129.1-173.7-73.7-38.8000114.2C408 E409C408-N413 VanDerWaalsContact O-CA 3.24Å; C408-N413 WeakPolarHBondContact O-CA 3.39Å; C408-N413 PolarHBondContact O-N 3.35Å; E409-N413 WeakPolarHBondContact CA-OD1 3.42Å
414Y92.1Very high92.2Very high110 Ų11070.7 Ų70.743%0.43135%0.353SS..EExtended strand (participates in β ladder)trans-65.4138.2175.6-170.8-95.3000111.4C408 C411 G412 Y416C408-Y414 PolarHBondContact N-O 3.09Å; C408-Y414 VanDerWaalsContact N-O 3.14Å; C408-Y414 PolarHBondContact O-N 3.02Å; C411-Y414 WeakPolarHBondContact O-CB 3.31Å; G412-Y414 PolarHBondContact O-N 2.89Å; Y414-Y416 HydrophobicContact CD1-CD1 4.1Å; Y414-Y416 AromaticContact CD1-CD2 3.91Å; Y414-Y416 HydrophobicContact CD1-CD2 3.91Å; Y414-Y416 AromaticContact CD1-CE1 3.79Å; Y414-Y416 HydrophobicContact CD1-CE1 3.79Å; Y414-Y416 AromaticContact CD1-CE2 3.6Å; Y414-Y416 HydrophobicContact CD1-CE2 3.6Å; Y414-Y416 HydrophobicContact CD1-CG 4.15Å; Y414-Y416 AromaticContact CD1-CZ 3.53Å; Y414-Y416 AromaticContact CE1-CD1 3.98Å; Y414-Y416 HydrophobicContact CE1-CD1 3.98Å; Y414-Y416 AromaticContact CE1-CE1 3.82Å; Y414-Y416 HydrophobicContact CE1-CE1 3.82Å; Y414-Y416 HydrophobicContact CE1-CE2 4.42Å; Y414-Y416 HydrophobicContact CE1-CG 4.35Å; Y414-Y416 HydrophobicContact CG-CE2 4.48Å
415T92.8Very high92.4Very high59 Ų5967.2 Ų67.236%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-98.3118-179.7-58.90000111.1N405 Y406 N407N405-T415 HydrophobicContact CB-CG2 3.61Å; Y406-T415 CarbonylContact O-C 3.53Å; Y406-T415 WeakPolarHBondContact O-CA 3.44Å; N407-T415 WeakPolarHBondContact OD1-CB 3.31Å; N407-T415 WeakPolarHBondContact OD1-CG2 3.23Å; N407-T415 PolarHBondContact OD1-OG1 2.88Å
416Y91.7Very high92.6Very high12 Ų1263.6 Ų63.65%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-94.3134.2173-64.6-87.6000110.6Y406 C408 C411 Y414 F422 H425Y406-Y416 PolarHBondContact N-O 3.47Å; Y406-Y416 PolarHBondContact O-N 3.28Å; C408-Y416 HydrophobicContact CB-CD2 4.47Å; C408-Y416 HydrophobicContact CB-CE2 4.08Å; C411-Y416 HydrophobicContact CB-CE2 4.34Å; C411-Y416 PolarHBondContact SG-OH 2.91Å; C411-Y416 VanDerWaalsContact SG-OH 3.4Å; Y414-Y416 HydrophobicContact CD1-CD1 4.1Å; Y414-Y416 AromaticContact CD1-CD2 3.91Å; Y414-Y416 HydrophobicContact CD1-CD2 3.91Å; Y414-Y416 AromaticContact CD1-CE1 3.79Å; Y414-Y416 HydrophobicContact CD1-CE1 3.79Å; Y414-Y416 AromaticContact CD1-CE2 3.6Å; Y414-Y416 HydrophobicContact CD1-CE2 3.6Å; Y414-Y416 HydrophobicContact CD1-CG 4.15Å; Y414-Y416 AromaticContact CD1-CZ 3.53Å; Y414-Y416 AromaticContact CE1-CD1 3.98Å; Y414-Y416 HydrophobicContact CE1-CD1 3.98Å; Y414-Y416 AromaticContact CE1-CE1 3.82Å; Y414-Y416 HydrophobicContact CE1-CE1 3.82Å; Y414-Y416 HydrophobicContact CE1-CE2 4.42Å; Y414-Y416 HydrophobicContact CE1-CG 4.35Å; Y414-Y416 HydrophobicContact CG-CE2 4.48Å; Y416-F422 HydrophobicContact CD2-CD2 4.3Å; Y416-H425 HydrophobicContact CD1-CB 3.84Å; Y416-H425 HydrophobicContact CD2-CB 4.38Å; Y416-H425 HydrophobicContact CE1-CB 3.3Å; Y416-H425 HydrophobicContact CE2-CB 3.91Å; Y416-H425 AromaticContact CE2-CD2 3.49Å; Y416-H425 VanDerWaalsContact CE2-CD2 3.49Å; Y416-H425 WeakPolarHBondContact CE2-CD2 3.35Å; Y416-H425 AromaticContact CE2-CG 3.66Å; Y416-H425 HydrophobicContact CG-CB 4.35Å; Y416-H425 AromaticContact CZ-CD2 3.65Å; Y416-H425 AromaticContact CZ-CG 3.62Å
417R88.7Confident92.5Very high129 Ų12964.2 Ų64.249%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-94.7114.6178.5-66.7-173.6-179.6178.91.7110.7A421R417-A421 WeakPolarHBondContact O-CB 3.27Å
418G89.3Confident92.4Very high1 Ų162.3 Ų62.31%0.0132%0.323CS..SBendtrans83.9158.317500000115.8G401 I404 K420 A421 F422G401-G418 WeakPolarHBondContact O-CA 3.26Å; I404-G418 PolarHBondContact O-N 2.94Å; G418-K420 VanDerWaalsContact C-N 3.34Å; G418-K420 PolarHBondContact O-N 3.34Å; G418-A421 PolarHBondContact O-N 3.29Å; G418-F422 PolarHBondContact O-N 2.95Å; G418-F422 VanDerWaalsContact O-N 3.15Å
419P90.5Very high92.3Very high52 Ų5270.4 Ų70.434%0.33835%0.353SS..Hα-helixtrans-65.1-33.9-170.5-21.832.8000113.8Y406 F422 Q423Y406-P419 HydrophobicContact CE2-CB 4.46Å; Y406-P419 HydrophobicContact CE2-CG 4.18Å; P419-F422 PolarHBondContact O-N 2.92Å; P419-Q423 WeakPolarHBondContact O-CB 3.17Å; P419-Q423 WeakPolarHBondContact O-CG 3.17Å; P419-Q423 PolarHBondContact O-N 2.98Å
420K88.6Confident92.1Very high167 Ų16772 Ų7273%0.72636%0.356SS*.Hα-helixtrans-66.9-48.2-179.3-74.4-170.3176.1-174.20112.1G418 F422 Q423 R424G418-K420 VanDerWaalsContact C-N 3.34Å; G418-K420 PolarHBondContact O-N 3.34Å; K420-F422 VanDerWaalsContact C-N 3.3Å; K420-F422 PolarHBondContact O-N 3.11Å; K420-Q423 PolarHBondContact O-N 3.34Å; K420-R424 PolarHBondContact O-N 3.34Å
421A89.2Confident92.1Very high32 Ų3271.4 Ų71.426%0.26435%0.353SS..Hα-helixtrans-61.6-43176.200000110.6R417 G418 Q423 R424 H425R417-A421 WeakPolarHBondContact O-CB 3.27Å; G418-A421 PolarHBondContact O-N 3.29Å; A421-Q423 VanDerWaalsContact C-N 3.32Å; A421-Q423 PolarHBondContact O-N 2.95Å; A421-R424 PolarHBondContact O-N 3.48Å; A421-H425 PolarHBondContact O-N 3.21Å
422F93.7Very high92Very high29 Ų2972 Ų7213%0.12736%0.359CS..Hα-helixtrans-68.1-24175.7-176.3-103.5000114Y406 Y416 G418 P419 K420 H425 F426 T450Y406-F422 VanDerWaalsContact CB-CG 3.46Å; Y406-F422 AromaticContact CD1-CD1 3.94Å; Y406-F422 HydrophobicContact CD1-CD1 3.94Å; Y406-F422 HydrophobicContact CD1-CD2 4.49Å; Y406-F422 HydrophobicContact CD1-CE1 4.14Å; Y406-F422 HydrophobicContact CD1-CG 4.1Å; Y406-F422 HydrophobicContact CD1-CZ 4.47Å; Y406-F422 HydrophobicContact CD2-CB 3.78Å; Y406-F422 HydrophobicContact CD2-CD1 4.47Å; Y406-F422 HydrophobicContact CD2-CG 4.05Å; Y406-F422 HydrophobicContact CE1-CD1 4.48Å; Y406-F422 HydrophobicContact CG-CB 3.88Å; Y406-F422 AromaticContact CG-CD1 3.93Å; Y406-F422 HydrophobicContact CG-CD1 3.93Å; Y406-F422 AromaticContact CG-CD2 3.92Å; Y406-F422 HydrophobicContact CG-CD2 3.92Å; Y406-F422 HydrophobicContact CG-CE1 4.46Å; Y406-F422 HydrophobicContact CG-CE2 4.43Å; Y406-F422 AromaticContact CG-CG 3.62Å; Y406-F422 HydrophobicContact CG-CG 3.62Å; Y416-F422 HydrophobicContact CD2-CD2 4.3Å; G418-F422 PolarHBondContact O-N 2.95Å; G418-F422 VanDerWaalsContact O-N 3.15Å; P419-F422 PolarHBondContact O-N 2.92Å; K420-F422 VanDerWaalsContact C-N 3.3Å; K420-F422 PolarHBondContact O-N 3.11Å; F422-H425 AromaticContact CD2-CE1 3.51Å; F422-H425 AromaticContact CD2-ND1 3.68Å; F422-H425 AromaticContact CE2-CE1 3.4Å; F422-H425 VanDerWaalsContact CE2-CE1 3.4Å; F422-H425 WeakPolarHBondContact CE2-CE1 3.49Å; F422-H425 PolarHBondContact O-CE1 2.92Å; F422-H425 VanDerWaalsContact O-CE1 3.28Å; F422-H425 PolarHBondContact O-ND1 3.38Å; F422-F426 HydrophobicContact CE1-CE2 4.25Å; F422-F426 HydrophobicContact CE1-CZ 4.27Å; F422-F426 HydrophobicContact CZ-CE2 4.42Å; F422-F426 HydrophobicContact CZ-CZ 4.05Å; F422-F426 WeakPolarHBondContact O-CE2 3.45Å; F422-T450 HydrophobicContact CE2-CG2 3.78Å; F422-T450 HydrophobicContact CZ-CG2 3.5Å
423Q92.8Very high92.1Very high109 Ų10972.6 Ų72.651%0.50934%0.343SS..Hα-helixtrans-79.6-38.4171.8-80.5-67.2-34.500111.7P419 K420 A421 H425 N448P419-Q423 WeakPolarHBondContact O-CB 3.17Å; P419-Q423 WeakPolarHBondContact O-CG 3.17Å; P419-Q423 PolarHBondContact O-N 2.98Å; K420-Q423 PolarHBondContact O-N 3.34Å; A421-Q423 VanDerWaalsContact C-N 3.32Å; A421-Q423 PolarHBondContact O-N 2.95Å; Q423-H425 VanDerWaalsContact C-N 3.33Å; Q423-H425 PolarHBondContact O-N 3.49Å; Q423-N448 PolarHBondContact NE2-OD1 3.23Å; Q423-N448 VanDerWaalsContact NE2-OD1 3.09Å
424R92Very high92.2Very high172 Ų17267.8 Ų67.865%0.64932%0.32SS*.Hα-helixtrans-67.7-32.7179.8-164.8174.766.3179.61.1112.6K420 A421 F426 A427 E428K420-R424 PolarHBondContact O-N 3.34Å; A421-R424 PolarHBondContact O-N 3.48Å; R424-F426 PolarHBondContact O-N 2.75Å; R424-A427 PolarHBondContact O-N 2.66Å; R424-E428 HydrophobicContact CG-CG 4.4Å; R424-E428 IonicContact CZ-OE1 3.61Å; R424-E428 IonicContact NE-OE1 3.53Å; R424-E428 PolarHBondContact NE-OE1 3.47Å; R424-E428 IonicContact NH2-OE1 3.93Å; R424-E428 PolarHBondContact NH2-OE1 2.93Å
425H94.8Very high92.4Very high0 Ų062.6 Ų62.60%030%0.3CS..G310 helixtrans-59.3-25.6-172.893.1-78000115.3C408 Y416 A421 F422 Q423 A427 E428 H431C408-H425 PolarHBondContact SG-NE2 2.75Å; Y416-H425 HydrophobicContact CD1-CB 3.84Å; Y416-H425 HydrophobicContact CD2-CB 4.38Å; Y416-H425 HydrophobicContact CE1-CB 3.3Å; Y416-H425 HydrophobicContact CE2-CB 3.91Å; Y416-H425 AromaticContact CE2-CD2 3.49Å; Y416-H425 VanDerWaalsContact CE2-CD2 3.49Å; Y416-H425 WeakPolarHBondContact CE2-CD2 3.35Å; Y416-H425 AromaticContact CE2-CG 3.66Å; Y416-H425 HydrophobicContact CG-CB 4.35Å; Y416-H425 AromaticContact CZ-CD2 3.65Å; Y416-H425 AromaticContact CZ-CG 3.62Å; A421-H425 PolarHBondContact O-N 3.21Å; F422-H425 AromaticContact CD2-CE1 3.51Å; F422-H425 AromaticContact CD2-ND1 3.68Å; F422-H425 AromaticContact CE2-CE1 3.4Å; F422-H425 VanDerWaalsContact CE2-CE1 3.4Å; F422-H425 WeakPolarHBondContact CE2-CE1 3.49Å; F422-H425 PolarHBondContact O-CE1 2.92Å; F422-H425 VanDerWaalsContact O-CE1 3.28Å; F422-H425 PolarHBondContact O-ND1 3.38Å; Q423-H425 VanDerWaalsContact C-N 3.33Å; Q423-H425 PolarHBondContact O-N 3.49Å; H425-A427 PolarHBondContact O-N 3.47Å; H425-E428 PolarHBondContact O-N 3.44Å; H425-H431 AromaticContact CD2-ND1 3.68Å; H425-H431 AromaticContact NE2-ND1 3.52Å; H425-H431 WeakPolarHBondContact O-CB 3.43Å
426F94.6Very high92.4Very high18 Ų1867.8 Ų67.88%0.07931%0.313CS..G310 helixtrans-61.9-26.1177.3-67.7-69.1000112.9F422 R424 H431 N442 N448 V449 T450F422-F426 HydrophobicContact CE1-CE2 4.25Å; F422-F426 HydrophobicContact CE1-CZ 4.27Å; F422-F426 HydrophobicContact CZ-CE2 4.42Å; F422-F426 HydrophobicContact CZ-CZ 4.05Å; F422-F426 WeakPolarHBondContact O-CE2 3.45Å; R424-F426 PolarHBondContact O-N 2.75Å; F426-H431 AromaticContact CD1-CE1 3.66Å; F426-H431 AromaticContact CD1-NE2 3.65Å; F426-H431 AromaticContact CE1-CE1 3.86Å; F426-N442 PolarHBondContact O-ND2 2.86Å; F426-N448 HydrophobicContact CZ-CB 4.5Å; F426-V449 WeakPolarHBondContact CE1-O 3.36Å; F426-T450 HydrophobicContact CE1-CG2 4.37Å; F426-T450 HydrophobicContact CZ-CG2 4.18Å
427A91.8Very high92.5Very high87 Ų8771.6 Ų71.672%0.71934%0.34SS*.G310 helixtrans-96.9-9.4174.700000113.2R424 H425R424-A427 PolarHBondContact O-N 2.66Å; H425-A427 PolarHBondContact O-N 3.47Å
428E92Very high92.7Very high54 Ų5468.3 Ų68.325%0.25233%0.332SS..SBendtrans-77.4153.4-178.7-68.8174.8-179.800111.5R424 H425 R430 H431 A432R424-E428 HydrophobicContact CG-CG 4.4Å; R424-E428 IonicContact CZ-OE1 3.61Å; R424-E428 IonicContact NE-OE1 3.53Å; R424-E428 PolarHBondContact NE-OE1 3.47Å; R424-E428 IonicContact NH2-OE1 3.93Å; R424-E428 PolarHBondContact NH2-OE1 2.93Å; H425-E428 PolarHBondContact O-N 3.44Å; E428-R430 VanDerWaalsContact C-N 3.25Å; E428-R430 PolarHBondContact O-N 3.13Å; E428-R430 VanDerWaalsContact O-N 3.14Å; E428-H431 PolarHBondContact O-N 3.05Å; E428-A432 PolarHBondContact O-N 2.85Å; E428-A432 VanDerWaalsContact O-N 3.12Å
429W93.3Very high92.9Very high170 Ų17070.6 Ų70.664%0.64436%0.356SS*.Hα-helixtrans-51.8-40.2-176.7167.691.2000113.5H431 A432 H433W429-H431 PolarHBondContact O-N 3.21Å; W429-A432 PolarHBondContact O-N 3.32Å; W429-H433 HydrophobicContact CZ2-CB 4.32Å; W429-H433 VanDerWaalsContact O-CB 3.24Å; W429-H433 WeakPolarHBondContact O-CB 3.27Å; W429-H433 PolarHBondContact O-N 3.17Å
430R92.6Very high93Very high110 Ų11068.3 Ų68.342%0.41534%0.341SS..Hα-helixtrans-61-43.3-176.4-171.7-178.6-63.6-87.4-2.4112C411 E428 G434C411-R430 HydrophobicContact CB-CG 4Å; E428-R430 VanDerWaalsContact C-N 3.25Å; E428-R430 PolarHBondContact O-N 3.13Å; E428-R430 VanDerWaalsContact O-N 3.14Å; R430-G434 PolarHBondContact O-N 3.36Å
431H94.8Very high93.1Very high0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-72.7-42.8177.6-167.288.7000110.9H425 F426 E428 W429 H433 G434 M435 V449H425-H431 AromaticContact CD2-ND1 3.68Å; H425-H431 AromaticContact NE2-ND1 3.52Å; H425-H431 WeakPolarHBondContact O-CB 3.43Å; F426-H431 AromaticContact CD1-CE1 3.66Å; F426-H431 AromaticContact CD1-NE2 3.65Å; F426-H431 AromaticContact CE1-CE1 3.86Å; E428-H431 PolarHBondContact O-N 3.05Å; W429-H431 PolarHBondContact O-N 3.21Å; H431-H433 VanDerWaalsContact C-N 3.28Å; H431-H433 PolarHBondContact O-N 2.95Å; H431-G434 PolarHBondContact O-N 2.87Å; H431-M435 WeakPolarHBondContact O-CG 3.41Å; H431-M435 PolarHBondContact O-N 3.4Å; H431-V449 PolarHBondContact CE1-O 3.5Å
432A93.4Very high93.2Very high22 Ų2264.9 Ų64.918%0.18233%0.33CS..Hα-helixtrans-59.4-39.1176.300000112.4E428 W429 R436 N442E428-A432 PolarHBondContact O-N 2.85Å; E428-A432 VanDerWaalsContact O-N 3.12Å; W429-A432 PolarHBondContact O-N 3.32Å; A432-R436 WeakPolarHBondContact O-CB 3.19Å; A432-R436 PolarHBondContact O-N 2.67Å; A432-N442 HydrophobicContact CB-CB 4.37Å
433H93.5Very high93.1Very high80 Ų8066.2 Ų66.237%0.3734%0.34SS..Hα-helixtrans-67.7-45.4175.3-173.575.8000111.4W429 H431 M435 R436 C437W429-H433 HydrophobicContact CZ2-CB 4.32Å; W429-H433 VanDerWaalsContact O-CB 3.24Å; W429-H433 WeakPolarHBondContact O-CB 3.27Å; W429-H433 PolarHBondContact O-N 3.17Å; H431-H433 VanDerWaalsContact C-N 3.28Å; H431-H433 PolarHBondContact O-N 2.95Å; H433-M435 VanDerWaalsContact C-N 3.32Å; H433-M435 PolarHBondContact O-N 3.31Å; H433-R436 WeakPolarHBondContact O-CB 3.43Å; H433-R436 PolarHBondContact O-N 2.91Å; H433-R436 VanDerWaalsContact O-N 3.1Å; H433-C437 PolarHBondContact O-N 3Å; H433-C437 PolarHBondContact O-SG 3.02Å; H433-C437 VanDerWaalsContact O-SG 3.35Å
434G94.7Very high93.1Very high11 Ų1165.5 Ų65.511%0.11335%0.353CS..Hα-helixtrans-56-45.8173.800000112.5R430 H431 R436 C437 L438R430-G434 PolarHBondContact O-N 3.36Å; H431-G434 PolarHBondContact O-N 2.87Å; G434-R436 VanDerWaalsContact C-N 3.35Å; G434-R436 PolarHBondContact O-N 2.96Å; G434-C437 PolarHBondContact O-N 3.18Å; G434-L438 WeakPolarHBondContact O-CG 3.21Å; G434-L438 PolarHBondContact O-N 3.37Å; G434-L438 VanDerWaalsContact O-N 3.16Å
435M95.4Very high93Very high1 Ų162.8 Ų62.81%0.00535%0.347CS..Hα-helixtrans-61.3-41.4174.8-69.5-63.4-76.400112.3I410 H431 H433 L438 G439 I440 N442 F446 A455I410-M435 HydrophobicContact CD1-SD 3.99Å; I410-M435 HydrophobicContact CG2-CG 4.12Å; I410-M435 HydrophobicContact CG2-SD 4.09Å; H431-M435 WeakPolarHBondContact O-CG 3.41Å; H431-M435 PolarHBondContact O-N 3.4Å; H433-M435 VanDerWaalsContact C-N 3.32Å; H433-M435 PolarHBondContact O-N 3.31Å; M435-L438 PolarHBondContact O-N 3.24Å; M435-G439 PolarHBondContact O-N 3.27Å; M435-I440 CarbonylContact C-O 3.28Å; M435-I440 VanDerWaalsContact C-O 3.24Å; M435-I440 HydrophobicContact CE-CB 3.8Å; M435-I440 HydrophobicContact CE-CG2 3.41Å; M435-I440 VanDerWaalsContact CE-CG2 3.41Å; M435-I440 PolarHBondContact O-N 3.09Å; M435-N442 HydrophobicContact CB-CB 4.24Å; M435-N442 HydrophobicContact CG-CB 4.47Å; M435-F446 HydrophobicContact CE-CB 3.69Å; M435-F446 HydrophobicContact CE-CD1 3.59Å; M435-F446 HydrophobicContact CE-CD2 3.78Å; M435-F446 HydrophobicContact CE-CE1 4.15Å; M435-F446 HydrophobicContact CE-CE2 4.32Å; M435-F446 HydrophobicContact CE-CG 3.39Å; M435-F446 HydrophobicContact CE-CZ 4.48Å; M435-A455 HydrophobicContact SD-CB 4.42Å
436R93.4Very high93Very high167 Ų16762.8 Ų62.863%0.6335%0.347SS*.Hα-helixtrans-63.8-41.3176.6-168.5-177.1-63.2144.91.4112.1A432 H433 G434 L438 G439A432-R436 WeakPolarHBondContact O-CB 3.19Å; A432-R436 PolarHBondContact O-N 2.67Å; H433-R436 WeakPolarHBondContact O-CB 3.43Å; H433-R436 PolarHBondContact O-N 2.91Å; H433-R436 VanDerWaalsContact O-N 3.1Å; G434-R436 VanDerWaalsContact C-N 3.35Å; G434-R436 PolarHBondContact O-N 2.96Å; R436-L438 PolarHBondContact O-N 2.9Å; R436-G439 PolarHBondContact O-N 3.42Å
437C93.3Very high92.8Very high92 Ų9264.3 Ų64.362%0.62236%0.363SS*.Hα-helixtrans-62.5-31.3174.9-69.20000112.7H433 G434 G439H433-C437 PolarHBondContact O-N 3Å; H433-C437 PolarHBondContact O-SG 3.02Å; H433-C437 VanDerWaalsContact O-SG 3.35Å; G434-C437 PolarHBondContact O-N 3.18Å; C437-G439 VanDerWaalsContact C-N 3.27Å; C437-G439 PolarHBondContact O-N 3.18Å
438L93.1Very high92.8Very high60 Ų6065 Ų6531%0.31436%0.355SS..THydrogen-bonded Turntrans-79.6-4.6173.6-63.2173000113.4I410 G434 M435 R436 I440 I452I410-L438 HydrophobicContact CG1-CD1 4.36Å; G434-L438 WeakPolarHBondContact O-CG 3.21Å; G434-L438 PolarHBondContact O-N 3.37Å; G434-L438 VanDerWaalsContact O-N 3.16Å; M435-L438 PolarHBondContact O-N 3.24Å; R436-L438 PolarHBondContact O-N 2.9Å; L438-I440 VanDerWaalsContact C-N 3.32Å; L438-I440 HydrophobicContact CB-CD1 4.03Å; L438-I440 HydrophobicContact CB-CG1 4Å; L438-I440 HydrophobicContact CD1-CD1 4.5Å; L438-I452 HydrophobicContact CD1-CG1 4.35Å; L438-I452 HydrophobicContact CD1-CG2 4.03Å; L438-I452 HydrophobicContact CD2-CG2 3.71Å
439G92.6Very high92.9Very high50 Ų5063.5 Ų63.552%0.51535%0.349SS..THydrogen-bonded Turntrans70.227.7-175.100000113.6M435 R436 C437 W459M435-G439 PolarHBondContact O-N 3.27Å; R436-G439 PolarHBondContact O-N 3.42Å; C437-G439 VanDerWaalsContact C-N 3.27Å; C437-G439 PolarHBondContact O-N 3.18Å; G439-W459 PolarHBondContact O-NE1 3.16Å
440I93.6Very high92.9Very high4 Ų456.9 Ų56.92%0.02133%0.328CS..  trans-115.2124.7-179.4-50.7178.1000109M435 L438 N442 F446 A455 V456 W459M435-I440 CarbonylContact C-O 3.28Å; M435-I440 VanDerWaalsContact C-O 3.24Å; M435-I440 HydrophobicContact CE-CB 3.8Å; M435-I440 HydrophobicContact CE-CG2 3.41Å; M435-I440 VanDerWaalsContact CE-CG2 3.41Å; M435-I440 PolarHBondContact O-N 3.09Å; L438-I440 VanDerWaalsContact C-N 3.32Å; L438-I440 HydrophobicContact CB-CD1 4.03Å; L438-I440 HydrophobicContact CB-CG1 4Å; L438-I440 HydrophobicContact CD1-CD1 4.5Å; I440-N442 PolarHBondContact O-N 3.47Å; I440-F446 HydrophobicContact CG2-CD1 4.32Å; I440-F446 HydrophobicContact CG2-CD2 4.18Å; I440-F446 HydrophobicContact CG2-CE1 3.68Å; I440-F446 HydrophobicContact CG2-CE2 3.51Å; I440-F446 HydrophobicContact CG2-CZ 3.23Å; I440-A455 HydrophobicContact CD1-CB 3.93Å; I440-V456 HydrophobicContact CD1-CG2 4.3Å; I440-W459 HydrophobicContact CB-CG 4.41Å; I440-W459 HydrophobicContact CD1-CB 3.98Å; I440-W459 HydrophobicContact CD1-CG 4.36Å; I440-W459 HydrophobicContact CG1-CB 4.09Å; I440-W459 HydrophobicContact CG1-CG 3.92Å; I440-W459 HydrophobicContact CG2-CB 4.06Å; I440-W459 HydrophobicContact CG2-CD2 3.96Å; I440-W459 HydrophobicContact CG2-CE3 4.21Å; I440-W459 HydrophobicContact CG2-CG 3.93Å
441P91.8Very high93.1Very high64 Ų6456.3 Ų56.342%0.41633%0.33SS..  trans-64.5128.6174-20.632.8000111.6T443 W459P441-T443 HydrophobicContact CB-CG2 4.17Å; P441-T443 PolarHBondContact O-N 3.44Å; P441-W459 HydrophobicContact CG-CH2 3.63Å; P441-W459 HydrophobicContact CG-CZ2 3.96Å; P441-W459 HydrophobicContact CG-CZ3 4.26Å
442N91.1Very high93.1Very high63 Ų6359 Ų5934%0.33734%0.343SS..  trans-70.8100.2175-17012.3000109.8F426 A432 M435 I440F426-N442 PolarHBondContact O-ND2 2.86Å; A432-N442 HydrophobicContact CB-CB 4.37Å; M435-N442 HydrophobicContact CB-CB 4.24Å; M435-N442 HydrophobicContact CG-CB 4.47Å; I440-N442 PolarHBondContact O-N 3.47Å
443T91.6Very high93.2Very high57 Ų5764.8 Ų64.835%0.3537%0.366SS..  trans-130.9162.8-177.755.80000109.5P441 H445 F446P441-T443 HydrophobicContact CB-CG2 4.17Å; P441-T443 PolarHBondContact O-N 3.44Å; T443-H445 PolarHBondContact O-N 3.24Å; T443-F446 PolarHBondContact O-N 3.41Å; T443-F446 WeakPolarHBondContact OG1-CD2 3.49Å
444A91.3Very high93.3Very high94 Ų9464.7 Ų64.778%0.77737%0.369SS*.G310 helixtrans-55.2-22.6-178.200000114.3F446 A447A444-F446 PolarHBondContact O-N 2.75Å; A444-A447 WeakPolarHBondContact O-CB 3.46Å; A444-A447 PolarHBondContact O-N 3.05Å
445H91.1Very high93.3Very high114 Ų11464.2 Ų64.253%0.52836%0.363SS..G310 helixtrans-59.6-26.6174.1-60.2-62.5000113.7T443 L458 L462T443-H445 PolarHBondContact O-N 3.24Å; H445-L458 WeakPolarHBondContact O-CD2 3.25Å; H445-L462 HydrophobicContact CB-CD1 3.94Å
446F93.3Very high93.2Very high1 Ų167.6 Ų67.60%0.00438%0.384CS..G310 helixtrans-97.66.9-178.2-62.1-82.4000113.1M435 I440 T443 A444 N448 V449 L458 W459 L462M435-F446 HydrophobicContact CE-CB 3.69Å; M435-F446 HydrophobicContact CE-CD1 3.59Å; M435-F446 HydrophobicContact CE-CD2 3.78Å; M435-F446 HydrophobicContact CE-CE1 4.15Å; M435-F446 HydrophobicContact CE-CE2 4.32Å; M435-F446 HydrophobicContact CE-CG 3.39Å; M435-F446 HydrophobicContact CE-CZ 4.48Å; I440-F446 HydrophobicContact CG2-CD1 4.32Å; I440-F446 HydrophobicContact CG2-CD2 4.18Å; I440-F446 HydrophobicContact CG2-CE1 3.68Å; I440-F446 HydrophobicContact CG2-CE2 3.51Å; I440-F446 HydrophobicContact CG2-CZ 3.23Å; T443-F446 PolarHBondContact O-N 3.41Å; T443-F446 WeakPolarHBondContact OG1-CD2 3.49Å; A444-F446 PolarHBondContact O-N 2.75Å; F446-N448 PolarHBondContact O-N 3.42Å; F446-V449 WeakPolarHBondContact O-CB 3.35Å; F446-V449 PolarHBondContact O-N 3.31Å; F446-V449 VanDerWaalsContact O-N 3.08Å; F446-L458 HydrophobicContact CD1-CD2 3.79Å; F446-L458 HydrophobicContact CD1-CG 4.41Å; F446-L458 HydrophobicContact CE1-CB 4.04Å; F446-L458 HydrophobicContact CE1-CD2 3.83Å; F446-L458 HydrophobicContact CE1-CG 3.94Å; F446-W459 HydrophobicContact CE1-CB 4.28Å; F446-W459 HydrophobicContact CE2-CE3 4.26Å; F446-W459 HydrophobicContact CZ-CB 4Å; F446-W459 HydrophobicContact CZ-CD2 4.44Å; F446-W459 AromaticContact CZ-CE3 3.89Å; F446-W459 HydrophobicContact CZ-CE3 3.89Å; F446-L462 HydrophobicContact CE2-CD1 4.12Å; F446-L462 HydrophobicContact CZ-CD1 3.89Å
447A90.8Very high93.3Very high49 Ų4962.4 Ų62.441%0.40537%0.373SS..THydrogen-bonded Turntrans-60.3134.3173.400000110.5A444 V449A444-A447 WeakPolarHBondContact O-CB 3.46Å; A444-A447 PolarHBondContact O-N 3.05Å; A447-V449 VanDerWaalsContact C-N 3.28Å; A447-V449 PolarHBondContact O-N 2.83Å
448N92.1Very high93.3Very high103 Ų10360.6 Ų60.655%0.55136%0.357SS*.THydrogen-bonded Turntrans71.36.8-173.4-50.7-62.7000116.2Q423 F426 F446Q423-N448 PolarHBondContact NE2-OD1 3.23Å; Q423-N448 VanDerWaalsContact NE2-OD1 3.09Å; F426-N448 HydrophobicContact CZ-CB 4.5Å; F446-N448 PolarHBondContact O-N 3.42Å
449V93.7Very high93.4Very high21 Ų2160.1 Ų60.113%0.12735%0.351CS..  trans-89.7114.9173-176.30000109.4I410 F426 H431 F446 A447 D454 A455 L458I410-V449 HydrophobicContact CD1-CG1 4.38Å; I410-V449 WeakPolarHBondContact CD1-O 3.49Å; F426-V449 WeakPolarHBondContact CE1-O 3.36Å; H431-V449 PolarHBondContact CE1-O 3.5Å; F446-V449 WeakPolarHBondContact O-CB 3.35Å; F446-V449 PolarHBondContact O-N 3.31Å; F446-V449 VanDerWaalsContact O-N 3.08Å; A447-V449 VanDerWaalsContact C-N 3.28Å; A447-V449 PolarHBondContact O-N 2.83Å; V449-D454 HydrophobicContact CG1-CB 3.89Å; V449-A455 HydrophobicContact CG1-CB 3.84Å; V449-L458 HydrophobicContact CG2-CD2 4.19Å
450T94Very high93.4Very high32 Ų3260.1 Ų60.120%0.19635%0.346CS..  trans-110.6-24.6179.752.80000114.4C408 E409 I410 F422 F426C408-T450 HydrophobicContact CB-CG2 4.31Å; E409-T450 VanDerWaalsContact CB-O 3.24Å; E409-T450 WeakPolarHBondContact CB-O 3.17Å; E409-T450 PolarHBondContact N-O 3.33Å; I410-T450 PolarHBondContact N-O 2.9Å; F422-T450 HydrophobicContact CE2-CG2 3.78Å; F422-T450 HydrophobicContact CZ-CG2 3.5Å; F426-T450 HydrophobicContact CE1-CG2 4.37Å; F426-T450 HydrophobicContact CZ-CG2 4.18Å
451Q95.9Very high93.4Very high98 Ų9866.5 Ų66.546%0.45837%0.374SS..  trans-87.6141.1-179.4-65.3-1767100110.8E409 D454 A455E409-Q451 VanDerWaalsContact OE2-CA 3.26Å; E409-Q451 WeakPolarHBondContact OE2-CA 3.45Å; Q451-D454 HydrophobicContact CB-CB 4.2Å; Q451-D454 PolarHBondContact NE2-OD2 3.38Å; Q451-D454 PolarHBondContact O-N 2.95Å; Q451-A455 PolarHBondContact O-N 3.07Å
452I94.7Very high93.4Very high55 Ų5564.4 Ų64.428%0.28236%0.359SS..Hα-helixtrans-67.3-40.9-178.9-65.6174.3000110.5E409 I410 L438 D454 A455 V456E409-I452 HydrophobicContact CB-CG1 4.32Å; E409-I452 HydrophobicContact CG-CD1 3.87Å; E409-I452 HydrophobicContact CG-CG1 3.94Å; E409-I452 PolarHBondContact OE2-N 3.49Å; I410-I452 HydrophobicContact CG1-CG1 4.02Å; L438-I452 HydrophobicContact CD1-CG1 4.35Å; L438-I452 HydrophobicContact CD1-CG2 4.03Å; L438-I452 HydrophobicContact CD2-CG2 3.71Å; I452-D454 PolarHBondContact O-N 3.13Å; I452-A455 PolarHBondContact O-N 3.05Å; I452-V456 HydrophobicContact CG2-CG2 4.39Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 3.44Å
453E95.8Very high93.3Very high144 Ų14466.9 Ų66.967%0.67337%0.367SS*.Hα-helixtrans-61.5-42.1179.5-174.2174.4-173.300112.4V456 S457E453-V456 PolarHBondContact O-N 3.29Å; E453-S457 VanDerWaalsContact O-CB 3.29Å; E453-S457 WeakPolarHBondContact O-CB 3.46Å; E453-S457 PolarHBondContact O-N 3.46Å; E453-S457 PolarHBondContact O-OG 3.49Å
454D95.5Very high93.2Very high79 Ų7970.3 Ų70.342%0.42238%0.382SS..Hα-helixtrans-64.5-43.1177.3-72.5-25.1000111.2V449 Q451 I452 S457 L458V449-D454 HydrophobicContact CG1-CB 3.89Å; Q451-D454 HydrophobicContact CB-CB 4.2Å; Q451-D454 PolarHBondContact NE2-OD2 3.38Å; Q451-D454 PolarHBondContact O-N 2.95Å; I452-D454 PolarHBondContact O-N 3.13Å; D454-S457 PolarHBondContact O-N 3.23Å; D454-L458 VanDerWaalsContact O-CB 3.27Å; D454-L458 WeakPolarHBondContact O-CB 3.49Å; D454-L458 PolarHBondContact O-N 2.89Å
455A95Very high93.1Very high0 Ų071.2 Ų71.20%037%0.371CS..Hα-helixtrans-62.8-46.6178.400000111.7I410 M435 I440 V449 Q451 I452 L458 W459I410-A455 HydrophobicContact CD1-CB 4.08Å; M435-A455 HydrophobicContact SD-CB 4.42Å; I440-A455 HydrophobicContact CD1-CB 3.93Å; V449-A455 HydrophobicContact CG1-CB 3.84Å; Q451-A455 PolarHBondContact O-N 3.07Å; I452-A455 PolarHBondContact O-N 3.05Å; A455-L458 PolarHBondContact O-N 3.25Å; A455-W459 WeakPolarHBondContact O-CB 3.37Å; A455-W459 PolarHBondContact O-N 2.88Å
456V94.6Very high92.9Very high73 Ų7372 Ų7244%0.44237%0.372SS..Hα-helixtrans-63.8-43.5178.3174.30000111I440 I452 E453 W459 A460I440-V456 HydrophobicContact CD1-CG2 4.3Å; I452-V456 HydrophobicContact CG2-CG2 4.39Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 3.44Å; E453-V456 PolarHBondContact O-N 3.29Å; V456-W459 PolarHBondContact O-N 3.35Å; V456-A460 PolarHBondContact O-N 2.91Å
457S94.7Very high92.4Very high57 Ų5774.5 Ų74.540%0.39939%0.393SS..Hα-helixtrans-64.1-42.6178.6-64.50000112.4E453 D454 A460 K461E453-S457 VanDerWaalsContact O-CB 3.29Å; E453-S457 WeakPolarHBondContact O-CB 3.46Å; E453-S457 PolarHBondContact O-N 3.46Å; E453-S457 PolarHBondContact O-OG 3.49Å; D454-S457 PolarHBondContact O-N 3.23Å; S457-A460 PolarHBondContact O-N 2.88Å; S457-K461 WeakPolarHBondContact O-CG 3.42Å; S457-K461 PolarHBondContact O-N 2.91Å; S457-K461 VanDerWaalsContact O-N 3.16Å
458L93.8Very high92Very high55 Ų5576.8 Ų76.829%0.28841%0.406SS..Hα-helixtrans-66.2-41.3176.4-17959.8000111.3H445 F446 V449 D454 A455 A460 K461 L462H445-L458 WeakPolarHBondContact O-CD2 3.25Å; F446-L458 HydrophobicContact CD1-CD2 3.79Å; F446-L458 HydrophobicContact CD1-CG 4.41Å; F446-L458 HydrophobicContact CE1-CB 4.04Å; F446-L458 HydrophobicContact CE1-CD2 3.83Å; F446-L458 HydrophobicContact CE1-CG 3.94Å; V449-L458 HydrophobicContact CG2-CD2 4.19Å; D454-L458 VanDerWaalsContact O-CB 3.27Å; D454-L458 WeakPolarHBondContact O-CB 3.49Å; D454-L458 PolarHBondContact O-N 2.89Å; A455-L458 PolarHBondContact O-N 3.25Å; L458-A460 PolarHBondContact O-N 3.45Å; L458-K461 PolarHBondContact O-N 3.46Å; L458-L462 HydrophobicContact CD1-CD1 4.46Å; L458-L462 HydrophobicContact CD1-CG 4.44Å; L458-L462 HydrophobicContact CG-CD1 4.15Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 3.39Å
459W94.4Very high91.5Very high49 Ų4979.4 Ų79.419%0.18642%0.415CS..Hα-helixtrans-64.1-39.9177.3-176.4-134.4000112.7G439 I440 P441 F446 A455 V456 K461 L462 K463G439-W459 PolarHBondContact O-NE1 3.16Å; I440-W459 HydrophobicContact CB-CG 4.41Å; I440-W459 HydrophobicContact CD1-CB 3.98Å; I440-W459 HydrophobicContact CD1-CG 4.36Å; I440-W459 HydrophobicContact CG1-CB 4.09Å; I440-W459 HydrophobicContact CG1-CG 3.92Å; I440-W459 HydrophobicContact CG2-CB 4.06Å; I440-W459 HydrophobicContact CG2-CD2 3.96Å; I440-W459 HydrophobicContact CG2-CE3 4.21Å; I440-W459 HydrophobicContact CG2-CG 3.93Å; P441-W459 HydrophobicContact CG-CH2 3.63Å; P441-W459 HydrophobicContact CG-CZ2 3.96Å; P441-W459 HydrophobicContact CG-CZ3 4.26Å; F446-W459 HydrophobicContact CE1-CB 4.28Å; F446-W459 HydrophobicContact CE2-CE3 4.26Å; F446-W459 HydrophobicContact CZ-CB 4Å; F446-W459 HydrophobicContact CZ-CD2 4.44Å; F446-W459 AromaticContact CZ-CE3 3.89Å; F446-W459 HydrophobicContact CZ-CE3 3.89Å; A455-W459 WeakPolarHBondContact O-CB 3.37Å; A455-W459 PolarHBondContact O-N 2.88Å; V456-W459 PolarHBondContact O-N 3.35Å; W459-K461 VanDerWaalsContact C-N 3.35Å; W459-K461 PolarHBondContact O-N 3.26Å; W459-L462 HydrophobicContact CE3-CB 4.27Å; W459-L462 HydrophobicContact CE3-CD1 4.48Å; W459-L462 PolarHBondContact O-N 3.48Å; W459-K463 HydrophobicContact CD2-CD 4.41Å; W459-K463 HydrophobicContact CD2-CG 4.24Å; W459-K463 HydrophobicContact CZ2-CD 4.34Å; W459-K463 HydrophobicContact CZ2-CG 4.21Å; W459-K463 VanDerWaalsContact NE1-CE 3.26Å; W459-K463 WeakPolarHBondContact O-CB 3.34Å; W459-K463 PolarHBondContact O-N 3.17Å
460A93.5Very high90.8Very high50 Ų5087.6 Ų87.641%0.41344%0.444SS..Hα-helixtrans-60.2-44.5173.800000111.6V456 S457 L458 K463 L464V456-A460 PolarHBondContact O-N 2.91Å; S457-A460 PolarHBondContact O-N 2.88Å; L458-A460 PolarHBondContact O-N 3.45Å; A460-K463 PolarHBondContact O-N 3.26Å; A460-L464 WeakPolarHBondContact O-CG 3.17Å; A460-L464 PolarHBondContact O-N 3.12Å; A460-L464 VanDerWaalsContact O-N 3.12Å
461K93.3Very high90.1Very high138 Ų13892.5 Ų92.560%0.646%0.459SS*.Hα-helixtrans-62.4-45.7175.5-71.7175.7-176.4173.50112.3S457 L458 W459 K463 L464 Q465S457-K461 WeakPolarHBondContact O-CG 3.42Å; S457-K461 PolarHBondContact O-N 2.91Å; S457-K461 VanDerWaalsContact O-N 3.16Å; L458-K461 PolarHBondContact O-N 3.46Å; W459-K461 VanDerWaalsContact C-N 3.35Å; W459-K461 PolarHBondContact O-N 3.26Å; K461-K463 PolarHBondContact O-N 3.12Å; K461-L464 PolarHBondContact O-N 3.19Å; K461-Q465 PolarHBondContact O-N 2.94Å
462L90.9Very high89.1Confident20 Ų2092.6 Ų92.611%0.10546%0.46CS..Hα-helixtrans-64.7-38.7178.8-75.5171.4000112.4H445 F446 L458 W459 Q465 K466H445-L462 HydrophobicContact CB-CD1 3.94Å; F446-L462 HydrophobicContact CE2-CD1 4.12Å; F446-L462 HydrophobicContact CZ-CD1 3.89Å; L458-L462 HydrophobicContact CD1-CD1 4.46Å; L458-L462 HydrophobicContact CD1-CG 4.44Å; L458-L462 HydrophobicContact CG-CD1 4.15Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 3.39Å; W459-L462 HydrophobicContact CE3-CB 4.27Å; W459-L462 HydrophobicContact CE3-CD1 4.48Å; W459-L462 PolarHBondContact O-N 3.48Å; L462-Q465 PolarHBondContact O-N 3.12Å; L462-K466 WeakPolarHBondContact O-CB 3.47Å; L462-K466 PolarHBondContact O-N 2.9Å
463K90.2Very high88.3Confident116 Ų11692.3 Ų92.350%0.50446%0.461SS..Hα-helixtrans-61.6-43.1174-85.6179.8164.8169.30111.7W459 A460 K461 A467W459-K463 HydrophobicContact CD2-CD 4.41Å; W459-K463 HydrophobicContact CD2-CG 4.24Å; W459-K463 HydrophobicContact CZ2-CD 4.34Å; W459-K463 HydrophobicContact CZ2-CG 4.21Å; W459-K463 VanDerWaalsContact NE1-CE 3.26Å; W459-K463 WeakPolarHBondContact O-CB 3.34Å; W459-K463 PolarHBondContact O-N 3.17Å; A460-K463 PolarHBondContact O-N 3.26Å; K461-K463 PolarHBondContact O-N 3.12Å; K463-A467 VanDerWaalsContact O-CB 3.22Å; K463-A467 WeakPolarHBondContact O-CB 3.43Å; K463-A467 PolarHBondContact O-N 3.05Å
464L89.9Confident87.2Confident128 Ų12890 Ų9067%0.6745%0.453SS*.Hα-helixtrans-64.3-45.7177.3-72.1170.3000111.7A460 K461 A467 S468A460-L464 WeakPolarHBondContact O-CG 3.17Å; A460-L464 PolarHBondContact O-N 3.12Å; A460-L464 VanDerWaalsContact O-N 3.12Å; K461-L464 PolarHBondContact O-N 3.19Å; L464-A467 PolarHBondContact O-N 2.72Å; L464-S468 PolarHBondContact O-N 2.89Å; L464-S468 PolarHBondContact O-OG 3.12Å
465Q89.2Confident86.3Confident114 Ų11489.9 Ų89.953%0.53346%0.456SS..Hα-helixtrans-61.5-47.7177.1-75.5-179.1-29.700112.1K461 L462 A467 S468 E469K461-Q465 PolarHBondContact O-N 2.94Å; L462-Q465 PolarHBondContact O-N 3.12Å; Q465-A467 VanDerWaalsContact C-N 3.31Å; Q465-A467 PolarHBondContact O-N 3.11Å; Q465-S468 WeakPolarHBondContact CA-OG 3.47Å; Q465-S468 PolarHBondContact O-N 3.05Å; Q465-S468 PolarHBondContact O-OG 2.74Å; Q465-E469 WeakPolarHBondContact O-CG 3.35Å; Q465-E469 PolarHBondContact O-N 3.23Å; Q465-E469 VanDerWaalsContact O-N 3.13Å
466K84.9Confident85.5Confident129 Ų12994.7 Ų94.756%0.56148%0.478SS*.Hα-helixtrans-64.6-34176.8-76.1-170176-174.30113L462 S468 E469 R470L462-K466 WeakPolarHBondContact O-CB 3.47Å; L462-K466 PolarHBondContact O-N 2.9Å; K466-S468 VanDerWaalsContact C-N 3.34Å; K466-E469 PolarHBondContact O-N 3.27Å; K466-R470 WeakPolarHBondContact O-CB 3.33Å; K466-R470 PolarHBondContact O-N 2.77Å; K466-R470 VanDerWaalsContact O-N 3.17Å
467A83.1Confident84.9Confident54 Ų5494.1 Ų94.145%0.44647%0.471SS..Hα-helixtrans-68.7-33.517600000112.2K463 L464 Q465K463-A467 VanDerWaalsContact O-CB 3.22Å; K463-A467 WeakPolarHBondContact O-CB 3.43Å; K463-A467 PolarHBondContact O-N 3.05Å; L464-A467 PolarHBondContact O-N 2.72Å; Q465-A467 VanDerWaalsContact C-N 3.31Å; Q465-A467 PolarHBondContact O-N 3.11Å
468S82.4Confident84.4Confident97 Ų9798.8 Ų98.868%0.67849%0.486SS*.Hα-helixtrans-74.5-24.4174.454.70000114.1L464 Q465 K466L464-S468 PolarHBondContact O-N 2.89Å; L464-S468 PolarHBondContact O-OG 3.12Å; Q465-S468 WeakPolarHBondContact CA-OG 3.47Å; Q465-S468 PolarHBondContact O-N 3.05Å; Q465-S468 PolarHBondContact O-OG 2.74Å; K466-S468 VanDerWaalsContact C-N 3.34Å
469E81.9Confident84Confident158 Ų158100 Ų10074%0.73849%0.488SS*.Hα-helixtrans-88.4-16.4177.8-70.4173.7179.400113.3Q465 K466 W471Q465-E469 WeakPolarHBondContact O-CG 3.35Å; Q465-E469 PolarHBondContact O-N 3.23Å; Q465-E469 VanDerWaalsContact O-N 3.13Å; K466-E469 PolarHBondContact O-N 3.27Å; E469-W471 PolarHBondContact O-N 2.67Å
470R79Confident83.6Confident193 Ų193104 Ų10473%0.72851%0.509SS*.SBendtrans-81.1110.9-177-174.7178.8-177.6-1791110.3K466 Q472K466-R470 WeakPolarHBondContact O-CB 3.33Å; K466-R470 PolarHBondContact O-N 2.77Å; K466-R470 VanDerWaalsContact O-N 3.17Å; R470-Q472 WeakPolarHBondContact O-CG 3.45Å; R470-Q472 PolarHBondContact O-N 3.29Å
471W79.1Confident83.1Confident135 Ų135102.9 Ų102.951%0.51150%0.495SS..  trans-50.7123.1170.7-17479.1000110.9E469 P473 E477E469-W471 PolarHBondContact O-N 2.67Å; W471-P473 HydrophobicContact CE3-CB 4.16Å; W471-P473 HydrophobicContact CE3-CG 3.79Å; W471-P473 HydrophobicContact CH2-CB 3.6Å; W471-P473 HydrophobicContact CH2-CG 4.11Å; W471-P473 HydrophobicContact CZ2-CB 4.47Å; W471-P473 HydrophobicContact CZ3-CB 3.42Å; W471-P473 VanDerWaalsContact CZ3-CB 3.42Å; W471-P473 HydrophobicContact CZ3-CG 3.38Å; W471-P473 WeakPolarHBondContact O-CD 3.42Å; W471-E477 HydrophobicContact CH2-CB 3.81Å; W471-E477 HydrophobicContact CH2-CG 4.02Å; W471-E477 HydrophobicContact CZ2-CB 3.74Å; W471-E477 HydrophobicContact CZ2-CG 4.17Å
472Q75.5Confident82.6Confident101 Ų101101 Ų10147%0.47250%0.5SS..  trans-105.6103.1179.3-64.1-172.220.900110.5R470 D474 T475 E476R470-Q472 WeakPolarHBondContact O-CG 3.45Å; R470-Q472 PolarHBondContact O-N 3.29Å; Q472-D474 PolarHBondContact O-N 2.87Å; Q472-D474 VanDerWaalsContact O-N 3.13Å; Q472-T475 VanDerWaalsContact CB-OG1 3.29Å; Q472-T475 WeakPolarHBondContact CB-OG1 3.44Å; Q472-T475 PolarHBondContact O-N 3.47Å; Q472-T475 PolarHBondContact O-OG1 3.12Å; Q472-E476 PolarHBondContact N-OE1 2.92Å; Q472-E476 WeakPolarHBondContact O-CB 3.31Å; Q472-E476 PolarHBondContact O-N 3.01Å
473P77.4Confident82.1Confident48 Ų48104.6 Ų104.631%0.31253%0.526SS..Hα-helixtrans-53.9-38.1-176.2-9.56.4000113.6W471 T475 E477W471-P473 HydrophobicContact CE3-CB 4.16Å; W471-P473 HydrophobicContact CE3-CG 3.79Å; W471-P473 HydrophobicContact CH2-CB 3.6Å; W471-P473 HydrophobicContact CH2-CG 4.11Å; W471-P473 HydrophobicContact CZ2-CB 4.47Å; W471-P473 HydrophobicContact CZ3-CB 3.42Å; W471-P473 VanDerWaalsContact CZ3-CB 3.42Å; W471-P473 HydrophobicContact CZ3-CG 3.38Å; W471-P473 WeakPolarHBondContact O-CD 3.42Å; P473-T475 PolarHBondContact O-N 3.43Å; P473-E477 HydrophobicContact CB-CB 4.4Å; P473-E477 WeakPolarHBondContact O-CA 3.34Å; P473-E477 WeakPolarHBondContact O-CB 3.45Å; P473-E477 PolarHBondContact O-N 3.12Å
474D73.3Confident81.8Confident95 Ų95100.9 Ų100.951%0.50852%0.521SS..Hα-helixtrans-63.7-27.9-177.4-65.6-19.9000113.4Q472 K490Q472-D474 PolarHBondContact O-N 2.87Å; Q472-D474 VanDerWaalsContact O-N 3.13Å; D474-K490 HydrophobicContact CB-CB 4.38Å; D474-K490 WeakPolarHBondContact O-CB 3.45Å; D474-K490 PolarHBondContact O-N 2.92Å
475T77.4Confident81.5Confident78 Ų7899.2 Ų99.248%0.47951%0.513SS..Hα-helixtrans-107.5-30.7-176.58.80000113.6Q472 P473 N488Q472-T475 VanDerWaalsContact CB-OG1 3.29Å; Q472-T475 WeakPolarHBondContact CB-OG1 3.44Å; Q472-T475 PolarHBondContact O-N 3.47Å; Q472-T475 PolarHBondContact O-OG1 3.12Å; P473-T475 PolarHBondContact O-N 3.43Å; T475-N488 WeakPolarHBondContact O-CB 3.43Å
476E77.4Confident81.3Confident101 Ų10197.9 Ų97.947%0.47251%0.512SS..Hα-helixtrans-109.9-13.3-171.8-63.2176.9-124.300113.4Q472Q472-E476 PolarHBondContact N-OE1 2.92Å; Q472-E476 WeakPolarHBondContact O-CB 3.31Å; Q472-E476 PolarHBondContact O-N 3.01Å
477E81.7Confident81.4Confident61 Ų6193.2 Ų93.229%0.28549%0.494SS..  trans-83.5118.7172.8-161172.2-150.500109.7W471 P473 Y479 N488 K489W471-E477 HydrophobicContact CH2-CB 3.81Å; W471-E477 HydrophobicContact CH2-CG 4.02Å; W471-E477 HydrophobicContact CZ2-CB 3.74Å; W471-E477 HydrophobicContact CZ2-CG 4.17Å; P473-E477 HydrophobicContact CB-CB 4.4Å; P473-E477 WeakPolarHBondContact O-CA 3.34Å; P473-E477 WeakPolarHBondContact O-CB 3.45Å; P473-E477 PolarHBondContact O-N 3.12Å; E477-Y479 HydrophobicContact CB-CE2 4.46Å; E477-Y479 HydrophobicContact CG-CD2 4.39Å; E477-Y479 HydrophobicContact CG-CE2 3.83Å; E477-N488 CarbonylContact O-C 3.45Å; E477-N488 WeakPolarHBondContact O-CA 3.36Å; E477-K489 HydrophobicContact CB-CB 4.31Å; E477-K489 PolarHBondContact O-N 3.29Å; E477-K489 WeakPolarHBondContact OE2-CD 3.35Å; E477-K489 IonicContact OE2-NZ 2.73Å; E477-K489 PolarHBondContact OE2-NZ 3.48Å
478E85.3Confident81.7Confident154 Ų15493 Ų9372%0.7249%0.486SS*.EExtended strand (participates in β ladder)trans-92.3129.8-177.2-71.6-176.8172.500111.1V486E478-V486 HydrophobicContact CB-CG1 3.63Å; E478-V486 HydrophobicContact CG-CG1 3.83Å
479Y84.3Confident81.8Confident82 Ų8290.4 Ų90.432%0.32246%0.462SS..EExtended strand (participates in β ladder)trans-119.5141.6175.2-81.2-109000109.7E477 V486 V487 K489 Y492E477-Y479 HydrophobicContact CB-CE2 4.46Å; E477-Y479 HydrophobicContact CG-CD2 4.39Å; E477-Y479 HydrophobicContact CG-CE2 3.83Å; Y479-V486 WeakPolarHBondContact O-CA 3.34Å; Y479-V487 PolarHBondContact N-O 2.99Å; Y479-V487 PolarHBondContact O-N 3.44Å; Y479-K489 HydrophobicContact CD2-CB 3.84Å; Y479-K489 HydrophobicContact CD2-CG 4.17Å; Y479-K489 HydrophobicContact CE2-CB 3.74Å; Y479-K489 HydrophobicContact CE2-CD 4.17Å; Y479-K489 HydrophobicContact CE2-CG 3.67Å; Y479-Y492 AromaticContact CD1-CD1 3.96Å; Y479-Y492 HydrophobicContact CD1-CD1 3.96Å; Y479-Y492 HydrophobicContact CD1-CE1 4.09Å; Y479-Y492 HydrophobicContact CD1-CG 4.21Å; Y479-Y492 HydrophobicContact CG-CD1 4.28Å; Y479-Y492 HydrophobicContact CG-CD2 4.43Å; Y479-Y492 HydrophobicContact CG-CG 4.11Å
480E85.5Confident82Confident133 Ų13389 Ų8962%0.62145%0.454SS*.EExtended strand (participates in β ladder)trans-99.5130.9177.3-164.9177.3174.700110.2G484 N485 Y492E480-G484 WeakPolarHBondContact OE1-CA 3.43Å; E480-N485 WeakPolarHBondContact CA-O 3.03Å; E480-Y492 WeakPolarHBondContact O-CE2 3.4Å
481D83.1Confident82.3Confident26 Ų2682.5 Ų82.514%0.13944%0.436CS..  trans-79.2174.417472.217.8000113.3S483 G484 N485 L501D481-S483 PolarHBondContact O-N 2.99Å; D481-S483 VanDerWaalsContact O-N 3.12Å; D481-S483 VanDerWaalsContact OD1-CA 3.22Å; D481-S483 WeakPolarHBondContact OD1-CA 3.4Å; D481-S483 WeakPolarHBondContact OD1-CB 3.3Å; D481-S483 PolarHBondContact OD1-N 3.02Å; D481-G484 PolarHBondContact O-N 3.21Å; D481-G484 VanDerWaalsContact O-N 3.09Å; D481-G484 PolarHBondContact OD1-N 3.33Å; D481-N485 PolarHBondContact N-O 2.88Å; D481-N485 PolarHBondContact OD1-N 3.42Å; D481-N485 PolarHBondContact OD1-ND2 3.46Å; D481-N485 WeakPolarHBondContact OD2-CB 3.47Å; D481-N485 PolarHBondContact OD2-ND2 3.36Å; D481-L501 HydrophobicContact CB-CD2 3.52Å
482S82.4Confident82.7Confident98 Ų9878.7 Ų78.769%0.68542%0.422SS*.THydrogen-bonded Turntrans-63.4-12.7177.154.60000113.9L501S482-L501 PolarHBondContact OG-OXT 3.48Å; S482-L501 VanDerWaalsContact OG-OXT 3.07Å
483S82Confident83.3Confident96 Ų9677.7 Ų77.767%0.67142%0.417SS*.THydrogen-bonded Turntrans-102.91.4177.6-59.30000113.3D481D481-S483 PolarHBondContact O-N 2.99Å; D481-S483 VanDerWaalsContact O-N 3.12Å; D481-S483 VanDerWaalsContact OD1-CA 3.22Å; D481-S483 WeakPolarHBondContact OD1-CA 3.4Å; D481-S483 WeakPolarHBondContact OD1-CB 3.3Å; D481-S483 PolarHBondContact OD1-N 3.02Å
484G82.3Confident83.8Confident38 Ų3878.5 Ų78.539%0.39242%0.419SS..SBendtrans81.913.1-179.400000115.3E480 D481E480-G484 WeakPolarHBondContact OE1-CA 3.43Å; D481-G484 PolarHBondContact O-N 3.21Å; D481-G484 VanDerWaalsContact O-N 3.09Å; D481-G484 PolarHBondContact OD1-N 3.33Å
485N84.2Confident84.6Confident92 Ų9276.1 Ų76.149%0.49241%0.406SS..  trans-84.8134.9175-49.9-64.1000110.5E480 D481E480-N485 WeakPolarHBondContact CA-O 3.03Å; D481-N485 PolarHBondContact N-O 2.88Å; D481-N485 PolarHBondContact OD1-N 3.42Å; D481-N485 PolarHBondContact OD1-ND2 3.46Å; D481-N485 WeakPolarHBondContact OD2-CB 3.47Å; D481-N485 PolarHBondContact OD2-ND2 3.36Å
486V85.9Confident85Confident86 Ų8679.1 Ų79.152%0.52141%0.412SS..EExtended strand (participates in β ladder)trans-90.4122.4176.6-176.70000109.7E478 Y479E478-V486 HydrophobicContact CB-CG1 3.63Å; E478-V486 HydrophobicContact CG-CG1 3.83Å; Y479-V486 WeakPolarHBondContact O-CA 3.34Å
487V86.8Confident85.6Confident31 Ų3183.4 Ų83.419%0.18842%0.424CS..EExtended strand (participates in β ladder)trans-130.6151.9177-69.80000109.7Y479 T491 Y492Y479-V487 PolarHBondContact N-O 2.99Å; Y479-V487 PolarHBondContact O-N 3.44Å; V487-T491 HydrophobicContact CB-CG2 4.24Å; V487-T491 HydrophobicContact CG1-CG2 4.31Å; V487-Y492 HydrophobicContact CG2-CD2 3.92Å; V487-Y492 HydrophobicContact CG2-CG 4.38Å
488N88.6Confident86Confident50 Ų5086.9 Ų86.927%0.26744%0.44SS..EExtended strand (participates in β ladder)trans-65.9154.4172.765.332.9000110.8T475 E477 K490 T491 Y492T475-N488 WeakPolarHBondContact O-CB 3.43Å; E477-N488 CarbonylContact O-C 3.45Å; E477-N488 WeakPolarHBondContact O-CA 3.36Å; N488-K490 VanDerWaalsContact C-N 3.26Å; N488-K490 PolarHBondContact O-N 3.16Å; N488-T491 PolarHBondContact O-N 3.08Å; N488-T491 WeakPolarHBondContact OD1-CB 3.18Å; N488-T491 PolarHBondContact OD1-N 3.26Å; N488-T491 PolarHBondContact OD1-OG1 2.97Å; N488-Y492 PolarHBondContact O-N 3.04Å
489K85.2Confident86Confident43 Ų4382.6 Ų82.619%0.18744%0.437CS..Hα-helixtrans-48.8-44.7-178-177.4-173.7-156.9152.30113.6E477 Y479 T491 Y492 E493E477-K489 HydrophobicContact CB-CB 4.31Å; E477-K489 PolarHBondContact O-N 3.29Å; E477-K489 WeakPolarHBondContact OE2-CD 3.35Å; E477-K489 IonicContact OE2-NZ 2.73Å; E477-K489 PolarHBondContact OE2-NZ 3.48Å; Y479-K489 HydrophobicContact CD2-CB 3.84Å; Y479-K489 HydrophobicContact CD2-CG 4.17Å; Y479-K489 HydrophobicContact CE2-CB 3.74Å; Y479-K489 HydrophobicContact CE2-CD 4.17Å; Y479-K489 HydrophobicContact CE2-CG 3.67Å; K489-T491 PolarHBondContact O-N 3.44Å; K489-Y492 WeakPolarHBondContact O-CB 3.13Å; K489-Y492 PolarHBondContact O-N 3.32Å; K489-E493 PolarHBondContact O-N 2.92Å
490K85.6Confident85.8Confident127 Ų12784 Ų8455%0.55245%0.45SS*.Hα-helixtrans-60.2-46.6179.7-176.7178.1178.9-179.50111.7D474 N488 Y492 E493 D494D474-K490 HydrophobicContact CB-CB 4.38Å; D474-K490 WeakPolarHBondContact O-CB 3.45Å; D474-K490 PolarHBondContact O-N 2.92Å; N488-K490 VanDerWaalsContact C-N 3.26Å; N488-K490 PolarHBondContact O-N 3.16Å; K490-Y492 VanDerWaalsContact C-N 3.34Å; K490-E493 PolarHBondContact O-N 3.37Å; K490-D494 WeakPolarHBondContact O-CB 3.41Å; K490-D494 PolarHBondContact O-N 3.23Å
491T86.3Confident85.3Confident58 Ų5881.3 Ų81.336%0.35644%0.439SS..Hα-helixtrans-65.6-40.8178.1-53.30000110.4V487 N488 K489 D494 L495V487-T491 HydrophobicContact CB-CG2 4.24Å; V487-T491 HydrophobicContact CG1-CG2 4.31Å; N488-T491 PolarHBondContact O-N 3.08Å; N488-T491 WeakPolarHBondContact OD1-CB 3.18Å; N488-T491 PolarHBondContact OD1-N 3.26Å; N488-T491 PolarHBondContact OD1-OG1 2.97Å; K489-T491 PolarHBondContact O-N 3.44Å; T491-D494 PolarHBondContact O-N 3Å; T491-L495 HydrophobicContact CG2-CD1 3.89Å; T491-L495 HydrophobicContact CG2-CG 4.24Å; T491-L495 WeakPolarHBondContact O-CB 3.37Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.19Å
492Y87.6Confident85.5Confident55 Ų5584.1 Ų84.122%0.21645%0.454CS..Hα-helixtrans-59.7-48.1175.1-171.9-91000111.9Y479 E480 V487 N488 K489 K490 L495 K496 L501Y479-Y492 AromaticContact CD1-CD1 3.96Å; Y479-Y492 HydrophobicContact CD1-CD1 3.96Å; Y479-Y492 HydrophobicContact CD1-CE1 4.09Å; Y479-Y492 HydrophobicContact CD1-CG 4.21Å; Y479-Y492 HydrophobicContact CG-CD1 4.28Å; Y479-Y492 HydrophobicContact CG-CD2 4.43Å; Y479-Y492 HydrophobicContact CG-CG 4.11Å; E480-Y492 WeakPolarHBondContact O-CE2 3.4Å; V487-Y492 HydrophobicContact CG2-CD2 3.92Å; V487-Y492 HydrophobicContact CG2-CG 4.38Å; N488-Y492 PolarHBondContact O-N 3.04Å; K489-Y492 WeakPolarHBondContact O-CB 3.13Å; K489-Y492 PolarHBondContact O-N 3.32Å; K490-Y492 VanDerWaalsContact C-N 3.34Å; Y492-L495 PolarHBondContact O-N 3.48Å; Y492-K496 HydrophobicContact CE1-CD 4.36Å; Y492-K496 VanDerWaalsContact O-CB 3.24Å; Y492-K496 WeakPolarHBondContact O-CB 3.34Å; Y492-K496 PolarHBondContact O-N 3.49Å; Y492-L501 HydrophobicContact CD1-CD1 4.2Å; Y492-L501 HydrophobicContact CD2-CD1 3.62Å; Y492-L501 HydrophobicContact CE1-CD1 4.21Å; Y492-L501 HydrophobicContact CE2-CD1 3.65Å; Y492-L501 HydrophobicContact CG-CD1 3.9Å; Y492-L501 WeakPolarHBondContact O-CD1 3.38Å
493E87Confident85.6Confident79 Ų7983.3 Ų83.337%0.36944%0.442SS..Hα-helixtrans-65-39.3177.8-74.3-166.6-174.900112.7K489 K490 K496 R497K489-E493 PolarHBondContact O-N 2.92Å; K490-E493 PolarHBondContact O-N 3.37Å; E493-K496 WeakPolarHBondContact O-CB 3.08Å; E493-K496 PolarHBondContact O-N 3.16Å; E493-R497 WeakPolarHBondContact O-CB 3.43Å; E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.49Å; E493-R497 PolarHBondContact O-N 2.95Å; E493-R497 IonicContact OE2-NH2 2.77Å
494D88.6Confident85.8Confident65 Ų6582.6 Ų82.635%0.34843%0.429SS..Hα-helixtrans-66.1-44.7176.6-81-16.2000111.3K490 T491 K496 R497 Q498K490-D494 WeakPolarHBondContact O-CB 3.41Å; K490-D494 PolarHBondContact O-N 3.23Å; T491-D494 PolarHBondContact O-N 3Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 3.05Å; D494-R497 PolarHBondContact O-N 3.26Å; D494-Q498 WeakPolarHBondContact O-CB 3.39Å; D494-Q498 VanDerWaalsContact O-CG 3.28Å; D494-Q498 WeakPolarHBondContact O-CG 3.33Å; D494-Q498 PolarHBondContact O-N 2.95Å
495L88.4Confident86Confident45 Ų4585.2 Ų85.224%0.23643%0.431CS..Hα-helixtrans-63.2-39.6174.6-69.2169.5000111.1T491 Y492 Q498 G499 L500 L501T491-L495 HydrophobicContact CG2-CD1 3.89Å; T491-L495 HydrophobicContact CG2-CG 4.24Å; T491-L495 WeakPolarHBondContact O-CB 3.37Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.19Å; Y492-L495 PolarHBondContact O-N 3.48Å; L495-Q498 PolarHBondContact O-N 3.44Å; L495-G499 PolarHBondContact O-N 3.31Å; L495-G499 VanDerWaalsContact O-N 3.11Å; L495-L500 HydrophobicContact CB-CB 4.46Å; L495-L500 HydrophobicContact CD2-CB 4.07Å; L495-L500 HydrophobicContact CD2-CD1 3.92Å; L495-L500 PolarHBondContact O-N 3.09Å; L495-L501 HydrophobicContact CB-CD1 3.72Å; L495-L501 HydrophobicContact CB-CD2 4.07Å; L495-L501 HydrophobicContact CB-CG 3.59Å; L495-L501 HydrophobicContact CD1-CD2 4.17Å
496K87.3Confident86.1Confident142 Ų14284.8 Ų84.862%0.61743%0.428SS*.Hα-helixtrans-62.1-43.4174.4-170.6175.5-179176.20111.7Y492 E493 D494 Q498 G499 L501Y492-K496 HydrophobicContact CE1-CD 4.36Å; Y492-K496 VanDerWaalsContact O-CB 3.24Å; Y492-K496 WeakPolarHBondContact O-CB 3.34Å; Y492-K496 PolarHBondContact O-N 3.49Å; E493-K496 WeakPolarHBondContact O-CB 3.08Å; E493-K496 PolarHBondContact O-N 3.16Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 3.05Å; K496-Q498 VanDerWaalsContact C-N 3.33Å; K496-G499 PolarHBondContact O-N 2.88Å; K496-L501 HydrophobicContact CB-CD1 4.02Å
497R89.8Confident86.2Confident191 Ų19184.7 Ų84.772%0.72142%0.421SS*.Hα-helixtrans-67.4-32.4177.1-75.7175.2-170.11798.8112.6E493 D494 G499E493-R497 WeakPolarHBondContact O-CB 3.43Å; E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.49Å; E493-R497 PolarHBondContact O-N 2.95Å; E493-R497 IonicContact OE2-NH2 2.77Å; D494-R497 PolarHBondContact O-N 3.26Å; R497-G499 VanDerWaalsContact C-N 3.26Å
498Q90.1Very high86.1Confident134 Ų13488.6 Ų88.663%0.62644%0.438SS*.Hα-helixtrans-78.9-8.2175.3-68.5174.830.100113.2D494 L495 K496 L500D494-Q498 WeakPolarHBondContact O-CB 3.39Å; D494-Q498 VanDerWaalsContact O-CG 3.28Å; D494-Q498 WeakPolarHBondContact O-CG 3.33Å; D494-Q498 PolarHBondContact O-N 2.95Å; L495-Q498 PolarHBondContact O-N 3.44Å; K496-Q498 VanDerWaalsContact C-N 3.33Å; Q498-L500 HydrophobicContact CB-CD1 3.87Å; Q498-L500 HydrophobicContact CB-CG 3.98Å
499G84.9Confident85.9Confident64 Ų6491.5 Ų91.566%0.6645%0.451SS*.THydrogen-bonded Turntrans72.328.2-177.600000113.5L495 K496 R497L495-G499 PolarHBondContact O-N 3.31Å; L495-G499 VanDerWaalsContact O-N 3.11Å; K496-G499 PolarHBondContact O-N 2.88Å; R497-G499 VanDerWaalsContact C-N 3.26Å
500L80.6Confident86Confident112 Ų11295.6 Ų95.659%0.58647%0.473SS*.  trans-99.17-177.9-65.3172.6000113.5L495 Q498L495-L500 HydrophobicContact CB-CB 4.46Å; L495-L500 HydrophobicContact CD2-CB 4.07Å; L495-L500 HydrophobicContact CD2-CD1 3.92Å; L495-L500 PolarHBondContact O-N 3.09Å; Q498-L500 HydrophobicContact CB-CD1 3.87Å; Q498-L500 HydrophobicContact CB-CG 3.98Å
501L75.5Confident86Confident75 Ų7592.7 Ų92.739%0.39347%0.466SS..  trans-1200-178.9-68.3179.4000113.7D481 S482 Y492 L495 K496D481-L501 HydrophobicContact CB-CD2 3.52Å; S482-L501 PolarHBondContact OG-OXT 3.48Å; S482-L501 VanDerWaalsContact OG-OXT 3.07Å; Y492-L501 HydrophobicContact CD1-CD1 4.2Å; Y492-L501 HydrophobicContact CD2-CD1 3.62Å; Y492-L501 HydrophobicContact CE1-CD1 4.21Å; Y492-L501 HydrophobicContact CE2-CD1 3.65Å; Y492-L501 HydrophobicContact CG-CD1 3.9Å; Y492-L501 WeakPolarHBondContact O-CD1 3.38Å; L495-L501 HydrophobicContact CB-CD1 3.72Å; L495-L501 HydrophobicContact CB-CD2 4.07Å; L495-L501 HydrophobicContact CB-CG 3.59Å; L495-L501 HydrophobicContact CD1-CD2 4.17Å; K496-L501 HydrophobicContact CB-CD1 4.02Å

Retrieved 501 of 501 residues in 125.8 ms (Link to these results)

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