A0A077Z1L7_TRITR Loading...

Xpo1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1L7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,105 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
1M46Very low55.1Low187 Ų187123.9 Ų123.992%0.92160%0.603SS**  0-80.20-65.7-147-58.600113.9R3 E4 A5M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.18Å; M1-E4 WeakPolarHBondContact CA-OE2 3.39Å; M1-E4 PolarHBondContact N-OE2 2.83Å; M1-E4 PolarHBondContact O-N 3.21Å; M1-A5 PolarHBondContact O-N 3.2Å
2H45.7Very low56.9Low171 Ų171125.6 Ų125.679%0.79260%0.6SS**Hα-helixtrans-65.7-31.8-174.6-117.8-33.9000114.7Q6H2-Q6 PolarHBondContact O-N 3.15Å
3R41.8Very low58.7Low207 Ų207119.8 Ų119.878%0.78159%0.586SS**Hα-helixtrans-72.9-40.7174.2-104.2-177178.5-178.9-1.4113.3M1 Q6 I7M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.18Å; R3-Q6 PolarHBondContact O-N 2.95Å; R3-I7 WeakPolarHBondContact O-CG1 3.47Å; R3-I7 PolarHBondContact O-N 3.42Å; R3-I7 VanDerWaalsContact O-N 3.16Å
4E47.2Very low60.3Low123 Ų123116.6 Ų116.658%0.57557%0.571SS**Hα-helixtrans-65.3-43.4177.3-74155.3157.300111M1 Q6 I7 E8M1-E4 WeakPolarHBondContact CA-OE2 3.39Å; M1-E4 PolarHBondContact N-OE2 2.83Å; M1-E4 PolarHBondContact O-N 3.21Å; E4-Q6 VanDerWaalsContact C-N 3.28Å; E4-Q6 PolarHBondContact O-N 2.74Å; E4-I7 PolarHBondContact O-N 3.41Å; E4-I7 VanDerWaalsContact O-N 3.13Å; E4-E8 PolarHBondContact O-N 3.04Å
5A53.1Low61.8Low50 Ų50109.3 Ų109.341%0.41354%0.536SS..Hα-helixtrans-63-31.7176.500000113.3M1 H9M1-A5 PolarHBondContact O-N 3.2Å; A5-H9 WeakPolarHBondContact O-CB 3.41Å; A5-H9 PolarHBondContact O-N 3.19Å; A5-H9 VanDerWaalsContact O-N 3.17Å
6Q52.8Low63.4Low140 Ų140107.6 Ų107.665%0.65453%0.527SS*.Hα-helixtrans-71.8-36.8174-87.1-177.6-29.700112.6H2 R3 E4 S10H2-Q6 PolarHBondContact O-N 3.15Å; R3-Q6 PolarHBondContact O-N 2.95Å; E4-Q6 VanDerWaalsContact C-N 3.28Å; E4-Q6 PolarHBondContact O-N 2.74Å; Q6-S10 WeakPolarHBondContact O-CB 3.49Å; Q6-S10 PolarHBondContact O-N 3.04Å; Q6-S10 VanDerWaalsContact O-N 3.11Å
7I56.9Low64.8Low113 Ų113107.5 Ų107.558%0.57953%0.525SS*.Hα-helixtrans-70-43.4178.2-66165000110.3R3 E4 H9 S10 T11R3-I7 WeakPolarHBondContact O-CG1 3.47Å; R3-I7 PolarHBondContact O-N 3.42Å; R3-I7 VanDerWaalsContact O-N 3.16Å; E4-I7 PolarHBondContact O-N 3.41Å; E4-I7 VanDerWaalsContact O-N 3.13Å; I7-H9 PolarHBondContact O-N 3.4Å; I7-S10 PolarHBondContact O-N 3.49Å; I7-T11 PolarHBondContact O-N 3.08Å; I7-T11 PolarHBondContact O-OG1 2.66Å
8E57.3Low66Low141 Ų141101.7 Ų101.766%0.65950%0.497SS*.Hα-helixtrans-60.3-45.2175-76.6-179.8165.900111.8E4 S10 T11 Y12E4-E8 PolarHBondContact O-N 3.04Å; E8-S10 VanDerWaalsContact C-N 3.3Å; E8-S10 PolarHBondContact O-N 3.06Å; E8-T11 PolarHBondContact O-N 2.67Å; E8-Y12 PolarHBondContact O-N 3.35Å; E8-Y12 VanDerWaalsContact O-N 3.09Å
9H61.7Low67.3Low143 Ų14398.3 Ų98.366%0.66248%0.479SS*.Hα-helixtrans-67.8-30-179.6-152.6-47.2000112.9A5 I7 A13A5-H9 WeakPolarHBondContact O-CB 3.41Å; A5-H9 PolarHBondContact O-N 3.19Å; A5-H9 VanDerWaalsContact O-N 3.17Å; I7-H9 PolarHBondContact O-N 3.4Å; H9-A13 PolarHBondContact O-N 3.02Å
10S70.9Confident68.3Low66 Ų6697.1 Ų97.146%0.46248%0.475SS..Hα-helixtrans-70.4-39.9173.1-171.40000111.9Q6 I7 E8 A13 M14Q6-S10 WeakPolarHBondContact O-CB 3.49Å; Q6-S10 PolarHBondContact O-N 3.04Å; Q6-S10 VanDerWaalsContact O-N 3.11Å; I7-S10 PolarHBondContact O-N 3.49Å; E8-S10 VanDerWaalsContact C-N 3.3Å; E8-S10 PolarHBondContact O-N 3.06Å; S10-A13 PolarHBondContact O-N 3.43Å; S10-M14 PolarHBondContact O-N 3.21Å
11T72.9Confident69.3Low22 Ų2292.8 Ų92.814%0.13546%0.455CS..Hα-helixtrans-67.3-42.1-178.7-51.20000111.1I7 E8 A13 M14 A15 D53 I54I7-T11 PolarHBondContact O-N 3.08Å; I7-T11 PolarHBondContact O-OG1 2.66Å; E8-T11 PolarHBondContact O-N 2.67Å; T11-A13 PolarHBondContact O-N 3.18Å; T11-M14 PolarHBondContact O-N 3.05Å; T11-A15 WeakPolarHBondContact O-CB 3.45Å; T11-A15 PolarHBondContact O-N 3.38Å; T11-D53 HydrophobicContact CG2-CB 3.85Å; T11-I54 HydrophobicContact CG2-CG1 4.04Å
12Y76.9Confident71.4Confident144 Ų14484 Ų8457%0.56541%0.412SS*.Hα-helixtrans-63.8-40.6175.7-172.1-91.6000112.6E8 A15 Q16E8-Y12 PolarHBondContact O-N 3.35Å; E8-Y12 VanDerWaalsContact O-N 3.09Å; Y12-A15 PolarHBondContact O-N 2.92Å; Y12-Q16 PolarHBondContact O-N 3.21Å
13A80.2Confident73.4Confident51 Ų5180.6 Ų80.642%0.42140%0.396SS..Hα-helixtrans-64.3-4217700000112.1H9 S10 T11 Q16 Q17H9-A13 PolarHBondContact O-N 3.02Å; S10-A13 PolarHBondContact O-N 3.43Å; T11-A13 PolarHBondContact O-N 3.18Å; A13-Q16 PolarHBondContact O-N 3.5Å; A13-Q17 WeakPolarHBondContact O-CG 3.48Å; A13-Q17 PolarHBondContact O-N 3.16Å
14M81.1Confident75.6Confident75 Ų7572.8 Ų72.837%0.36937%0.373SS..Hα-helixtrans-65.6-40.8173.5-86.6173.5138.300112.1S10 T11 Q16 Q17 V18 I54S10-M14 PolarHBondContact O-N 3.21Å; T11-M14 PolarHBondContact O-N 3.05Å; M14-Q16 VanDerWaalsContact C-N 3.28Å; M14-Q16 PolarHBondContact O-N 2.99Å; M14-Q17 WeakPolarHBondContact O-CB 3.37Å; M14-Q17 PolarHBondContact O-N 3.18Å; M14-Q17 VanDerWaalsContact O-N 3.14Å; M14-V18 WeakPolarHBondContact O-CG2 3.43Å; M14-V18 PolarHBondContact O-N 3.24Å; M14-I54 HydrophobicContact CB-CD1 3.88Å; M14-I54 HydrophobicContact CB-CG1 4.46Å
15A83.4Confident77.7Confident7 Ų768.1 Ų68.16%0.05835%0.351CS..Hα-helixtrans-59.7-39176.200000112T11 Y12 V18 F19 I54 E57 L58T11-A15 WeakPolarHBondContact O-CB 3.45Å; T11-A15 PolarHBondContact O-N 3.38Å; Y12-A15 PolarHBondContact O-N 2.92Å; A15-V18 PolarHBondContact O-N 3.31Å; A15-F19 WeakPolarHBondContact O-CB 3.29Å; A15-F19 PolarHBondContact O-N 3.41Å; A15-I54 HydrophobicContact CB-CG2 4.26Å; A15-E57 HydrophobicContact CB-CB 4.1Å; A15-L58 WeakPolarHBondContact O-CD2 3.35Å
16Q86.7Confident79.2Confident81 Ų8170.7 Ų70.738%0.37936%0.355SS..Hα-helixtrans-66-39.6174.7-171.360.852.100112.5Y12 A13 M14 V18 F19 D20Y12-Q16 PolarHBondContact O-N 3.21Å; A13-Q16 PolarHBondContact O-N 3.5Å; M14-Q16 VanDerWaalsContact C-N 3.28Å; M14-Q16 PolarHBondContact O-N 2.99Å; Q16-V18 VanDerWaalsContact C-N 3.31Å; Q16-V18 PolarHBondContact O-N 2.99Å; Q16-F19 WeakPolarHBondContact O-CB 3.31Å; Q16-F19 PolarHBondContact O-N 3.49Å; Q16-D20 PolarHBondContact NE2-OD1 2.9Å; Q16-D20 VanDerWaalsContact NE2-OD1 3.08Å; Q16-D20 PolarHBondContact O-N 2.94Å
17Q87.1Confident80.9Confident107 Ų10767.5 Ų67.550%0.534%0.342SS..Hα-helixtrans-62.7-40175.3-70176.2-11.100111.8A13 M14 D20 A21 L41A13-Q17 WeakPolarHBondContact O-CG 3.48Å; A13-Q17 PolarHBondContact O-N 3.16Å; M14-Q17 WeakPolarHBondContact O-CB 3.37Å; M14-Q17 PolarHBondContact O-N 3.18Å; M14-Q17 VanDerWaalsContact O-N 3.14Å; Q17-D20 PolarHBondContact O-N 3.15Å; Q17-A21 WeakPolarHBondContact O-CB 3.19Å; Q17-A21 PolarHBondContact O-N 3.45Å; Q17-L41 HydrophobicContact CB-CD2 4.08Å
18V86.8Confident82.3Confident2 Ų271.6 Ų71.61%0.01236%0.356CS..Hα-helixtrans-68.3-38.5175.9-179.90000111.3M14 A15 Q16 D20 A21 V22 L42 V45 I54 L58M14-V18 WeakPolarHBondContact O-CG2 3.43Å; M14-V18 PolarHBondContact O-N 3.24Å; A15-V18 PolarHBondContact O-N 3.31Å; Q16-V18 VanDerWaalsContact C-N 3.31Å; Q16-V18 PolarHBondContact O-N 2.99Å; V18-D20 VanDerWaalsContact C-N 3.35Å; V18-D20 PolarHBondContact O-N 3.31Å; V18-A21 PolarHBondContact O-N 3.44Å; V18-V22 HydrophobicContact CG1-CG2 4.24Å; V18-V22 VanDerWaalsContact O-CG2 3.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.49Å; V18-L42 HydrophobicContact CG1-CD2 3.59Å; V18-V45 HydrophobicContact CG2-CB 4.46Å; V18-V45 HydrophobicContact CG2-CG1 4.4Å; V18-V45 HydrophobicContact CG2-CG2 3.72Å; V18-I54 HydrophobicContact CB-CG2 4.4Å; V18-I54 HydrophobicContact CG2-CG2 4.19Å; V18-L58 HydrophobicContact CB-CD1 4.22Å; V18-L58 HydrophobicContact CG1-CD1 3.56Å
19F90.6Very high83.8Confident37 Ų3772.8 Ų72.816%0.16236%0.362CS..Hα-helixtrans-54.9-51.8173.3179.3-78.2000111A15 Q16 A21 V22 Q23 L58 C61 A64 V67A15-F19 WeakPolarHBondContact O-CB 3.29Å; A15-F19 PolarHBondContact O-N 3.41Å; Q16-F19 WeakPolarHBondContact O-CB 3.31Å; Q16-F19 PolarHBondContact O-N 3.49Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 3.11Å; F19-V22 PolarHBondContact O-N 2.95Å; F19-Q23 HydrophobicContact CD1-CG 4.49Å; F19-Q23 HydrophobicContact CE1-CG 4.18Å; F19-Q23 VanDerWaalsContact CZ-NE2 3.34Å; F19-Q23 PolarHBondContact O-N 3.44Å; F19-L58 HydrophobicContact CB-CD2 4.05Å; F19-C61 HydrophobicContact CD2-CB 4.42Å; F19-C61 HydrophobicContact CE2-CB 4.22Å; F19-A64 HydrophobicContact CE2-CB 4.12Å; F19-A64 HydrophobicContact CZ-CB 4.45Å; F19-V67 HydrophobicContact CD2-CB 4.33Å; F19-V67 HydrophobicContact CD2-CG1 3.67Å; F19-V67 HydrophobicContact CD2-CG2 4.06Å; F19-V67 HydrophobicContact CE2-CB 4.41Å; F19-V67 HydrophobicContact CE2-CG1 4.19Å; F19-V67 HydrophobicContact CE2-CG2 4.03Å; F19-V67 HydrophobicContact CG-CG1 4.43Å
20D87.8Confident85Confident75 Ų7566.9 Ų66.940%0.40134%0.336SS..Hα-helixtrans-64.5-41.4-179.3-61.9-18.6000110.8Q16 Q17 V18 V22 Q23 C24Q16-D20 PolarHBondContact NE2-OD1 2.9Å; Q16-D20 VanDerWaalsContact NE2-OD1 3.08Å; Q16-D20 PolarHBondContact O-N 2.94Å; Q17-D20 PolarHBondContact O-N 3.15Å; V18-D20 VanDerWaalsContact C-N 3.35Å; V18-D20 PolarHBondContact O-N 3.31Å; D20-V22 PolarHBondContact O-N 3.08Å; D20-Q23 PolarHBondContact O-N 3.08Å; D20-C24 PolarHBondContact O-N 2.84Å; D20-C24 PolarHBondContact O-SG 3.46Å
21A89.4Confident85.8Confident7 Ų769.3 Ų69.36%0.05834%0.343CS..Hα-helixtrans-60-43.8176.600000112.5Q17 V18 F19 Q23 C24 I25 A38 L41Q17-A21 WeakPolarHBondContact O-CB 3.19Å; Q17-A21 PolarHBondContact O-N 3.45Å; V18-A21 PolarHBondContact O-N 3.44Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 3.11Å; A21-Q23 VanDerWaalsContact C-N 3.29Å; A21-Q23 PolarHBondContact O-N 3.1Å; A21-C24 WeakPolarHBondContact O-CB 3.36Å; A21-C24 PolarHBondContact O-N 3.36Å; A21-I25 VanDerWaalsContact O-CG1 3.28Å; A21-I25 WeakPolarHBondContact O-CG1 3.06Å; A21-I25 PolarHBondContact O-N 3.06Å; A21-A38 HydrophobicContact CB-CB 3.84Å; A21-L41 HydrophobicContact CB-CD2 3.96Å
22V88.9Confident86.5Confident2 Ų271.7 Ų71.71%0.01237%0.365CS..Hα-helixtrans-64.1-36.5177.7173.40000111.4V18 F19 D20 I25 H26 L42 V67 C70V18-V22 HydrophobicContact CG1-CG2 4.24Å; V18-V22 VanDerWaalsContact O-CG2 3.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.49Å; F19-V22 PolarHBondContact O-N 2.95Å; D20-V22 PolarHBondContact O-N 3.08Å; V22-I25 PolarHBondContact O-N 2.97Å; V22-H26 PolarHBondContact O-N 3.37Å; V22-H26 PolarHBondContact O-ND1 3.44Å; V22-L42 HydrophobicContact CG2-CD1 4.36Å; V22-L42 HydrophobicContact CG2-CD2 4.25Å; V22-V67 HydrophobicContact CB-CG2 4.28Å; V22-V67 HydrophobicContact CG1-CG2 3.95Å; V22-C70 HydrophobicContact CG1-CB 4.15Å; V22-C70 HydrophobicContact CG2-CB 3.86Å; V22-C70 WeakPolarHBondContact CG2-SG 3.33Å
23Q88.8Confident87.2Confident100 Ų10069.3 Ų69.347%0.46737%0.367SS..Hα-helixtrans-66.2-45174.2-68.7-169.8-25.600111.5F19 D20 A21 I25 H26 D27 V67F19-Q23 HydrophobicContact CD1-CG 4.49Å; F19-Q23 HydrophobicContact CE1-CG 4.18Å; F19-Q23 VanDerWaalsContact CZ-NE2 3.34Å; F19-Q23 PolarHBondContact O-N 3.44Å; D20-Q23 PolarHBondContact O-N 3.08Å; A21-Q23 VanDerWaalsContact C-N 3.29Å; A21-Q23 PolarHBondContact O-N 3.1Å; Q23-I25 VanDerWaalsContact C-N 3.28Å; Q23-I25 PolarHBondContact O-N 2.96Å; Q23-H26 PolarHBondContact O-N 3.12Å; Q23-D27 WeakPolarHBondContact O-CB 3.39Å; Q23-D27 PolarHBondContact O-N 3.33Å; Q23-V67 HydrophobicContact CG-CG2 4.49Å
24C88.2Confident87.6Confident42 Ų4270.5 Ų70.528%0.28437%0.369SS..Hα-helixtrans-59.1-38.1175.1-73.50000112.6D20 A21 H26 D27 T30 A38D20-C24 PolarHBondContact O-N 2.84Å; D20-C24 PolarHBondContact O-SG 3.46Å; A21-C24 WeakPolarHBondContact O-CB 3.36Å; A21-C24 PolarHBondContact O-N 3.36Å; C24-H26 VanDerWaalsContact C-N 3.34Å; C24-H26 PolarHBondContact O-N 3.26Å; C24-D27 PolarHBondContact O-N 3Å; C24-T30 HydrophobicContact CB-CG2 4.11Å; C24-T30 WeakPolarHBondContact O-CB 3.37Å; C24-T30 PolarHBondContact O-OG1 2.95Å; C24-T30 VanDerWaalsContact O-OG1 3.04Å; C24-A38 HydrophobicContact CB-CB 4.39Å
25I90.4Very high88Confident25 Ų2571 Ų7113%0.12837%0.367CS..Hα-helixtrans-63.8-39.9179.6-73.1163.4000112A21 V22 Q23 R35 A38 L42A21-I25 VanDerWaalsContact O-CG1 3.28Å; A21-I25 WeakPolarHBondContact O-CG1 3.06Å; A21-I25 PolarHBondContact O-N 3.06Å; V22-I25 PolarHBondContact O-N 2.97Å; Q23-I25 VanDerWaalsContact C-N 3.28Å; Q23-I25 PolarHBondContact O-N 2.96Å; I25-R35 HydrophobicContact CG1-CG 4.43Å; I25-A38 HydrophobicContact CD1-CB 4.01Å; I25-A38 HydrophobicContact CG1-CB 3.75Å; I25-L42 HydrophobicContact CD1-CD1 3.33Å; I25-L42 HydrophobicContact CD1-CG 4.37Å
26H85Confident88.4Confident104 Ų10476.5 Ų76.548%0.48139%0.391SS..Hα-helixtrans-93-2.9-176.1-62.995.1000113.8V22 Q23 C24 L66V22-H26 PolarHBondContact O-N 3.37Å; V22-H26 PolarHBondContact O-ND1 3.44Å; Q23-H26 PolarHBondContact O-N 3.12Å; C24-H26 VanDerWaalsContact C-N 3.34Å; C24-H26 PolarHBondContact O-N 3.26Å; H26-L66 HydrophobicContact CB-CD1 3.96Å
27D87.2Confident88.5Confident73 Ų7378.6 Ų78.639%0.3940%0.401SS..  trans-84.7118.3174.1-175.61.1000111.1Q23 C24 H29 T30Q23-D27 WeakPolarHBondContact O-CB 3.39Å; Q23-D27 PolarHBondContact O-N 3.33Å; C24-D27 PolarHBondContact O-N 3Å; D27-H29 PolarHBondContact O-N 2.96Å; D27-H29 VanDerWaalsContact O-N 3.12Å; D27-H29 WeakPolarHBondContact OD1-CB 3.42Å; D27-H29 IonicContact OD1-CD2 3.99Å; D27-H29 IonicContact OD1-CG 3.01Å; D27-H29 PolarHBondContact OD1-N 3.09Å; D27-T30 PolarHBondContact O-N 3.04Å; D27-T30 VanDerWaalsContact O-N 3.1Å
28F87.1Confident88.6Confident200 Ų20073.9 Ų73.988%0.87738%0.38SS*.THydrogen-bonded Turntrans-58.1-23.5176.7-107.7-88.2000113.4
29H88.4Confident88.8Confident166 Ų16677.7 Ų77.777%0.76940%0.398SS*.THydrogen-bonded Turntrans-89.3-6.4-179.5-60.9-60.8000114.2D27 D31D27-H29 PolarHBondContact O-N 2.96Å; D27-H29 VanDerWaalsContact O-N 3.12Å; D27-H29 WeakPolarHBondContact OD1-CB 3.42Å; D27-H29 IonicContact OD1-CD2 3.99Å; D27-H29 IonicContact OD1-CG 3.01Å; D27-H29 PolarHBondContact OD1-N 3.09Å; H29-D31 PolarHBondContact O-N 3.23Å
30T88.3Confident88.8Confident19 Ų1980.2 Ų80.212%0.11741%0.41CS..SBendtrans-73.3126.7179.1-65.20000110.9C24 D27 V34 R35C24-T30 HydrophobicContact CB-CG2 4.11Å; C24-T30 WeakPolarHBondContact O-CB 3.37Å; C24-T30 PolarHBondContact O-OG1 2.95Å; C24-T30 VanDerWaalsContact O-OG1 3.04Å; D27-T30 PolarHBondContact O-N 3.04Å; D27-T30 VanDerWaalsContact O-N 3.1Å; T30-V34 HydrophobicContact CG2-CB 3.88Å; T30-V34 HydrophobicContact CG2-CG1 3.85Å; T30-R35 HydrophobicContact CG2-CB 4.14Å; T30-R35 PolarHBondContact O-NH2 2.74Å
31D86.9Confident89Confident117 Ų11778.2 Ų78.263%0.62640%0.399SS*.  trans-60.6144.6177.3-72.5-30.4000112.3H29 P33 V34 R35H29-D31 PolarHBondContact O-N 3.23Å; D31-P33 HydrophobicContact CB-CG 4.41Å; D31-V34 HydrophobicContact CB-CG2 4.44Å; D31-V34 PolarHBondContact O-N 2.85Å; D31-R35 PolarHBondContact O-N 3.01Å
32A88.4Confident89Confident71 Ų7178.7 Ų78.759%0.58740%0.4SS*.Hα-helixtrans-48.4-48.1-178.700000115.3V34 R35 Q36A32-V34 VanDerWaalsContact C-N 3.34Å; A32-V34 PolarHBondContact O-N 3.44Å; A32-R35 PolarHBondContact O-N 3.43Å; A32-Q36 WeakPolarHBondContact O-CB 3.47Å; A32-Q36 PolarHBondContact O-N 2.98Å
33P90.1Very high89.1Confident94 Ų9483.3 Ų83.361%0.6142%0.422SS*.Hα-helixtrans-65.1-35.1179.123.8-34.6000113.3D31 Q36 H37D31-P33 HydrophobicContact CB-CG 4.41Å; P33-Q36 PolarHBondContact O-N 3.27Å; P33-H37 PolarHBondContact O-N 3.2Å
34V88.2Confident89.2Confident76 Ų7684.9 Ų84.946%0.46143%0.429SS..Hα-helixtrans-70.4-41.3177.8-179.20000110T30 D31 A32 Q36 H37 A38T30-V34 HydrophobicContact CG2-CB 3.88Å; T30-V34 HydrophobicContact CG2-CG1 3.85Å; D31-V34 HydrophobicContact CB-CG2 4.44Å; D31-V34 PolarHBondContact O-N 2.85Å; A32-V34 VanDerWaalsContact C-N 3.34Å; A32-V34 PolarHBondContact O-N 3.44Å; V34-Q36 VanDerWaalsContact C-N 3.34Å; V34-Q36 PolarHBondContact O-N 3.49Å; V34-H37 PolarHBondContact O-N 2.65Å; V34-A38 PolarHBondContact O-N 3.48Å
35R91.2Very high89.3Confident86 Ų8683 Ų8333%0.32542%0.417SS..Hα-helixtrans-61.9-42.3174.7-165.6179.4-56.8156.65.1111.8I25 T30 D31 A32 A38 H39I25-R35 HydrophobicContact CG1-CG 4.43Å; T30-R35 HydrophobicContact CG2-CB 4.14Å; T30-R35 PolarHBondContact O-NH2 2.74Å; D31-R35 PolarHBondContact O-N 3.01Å; A32-R35 PolarHBondContact O-N 3.43Å; R35-A38 WeakPolarHBondContact O-CB 3.39Å; R35-A38 PolarHBondContact O-N 3.28Å; R35-H39 PolarHBondContact O-CD2 3.44Å; R35-H39 PolarHBondContact O-N 3.47Å
36Q89.9Confident89.3Confident122 Ų12284.1 Ų84.157%0.5742%0.421SS*.Hα-helixtrans-63.5-43.8177.3-176.3158.4-2.400111.6A32 P33 V34 A38 H39 E40A32-Q36 WeakPolarHBondContact O-CB 3.47Å; A32-Q36 PolarHBondContact O-N 2.98Å; P33-Q36 PolarHBondContact O-N 3.27Å; V34-Q36 VanDerWaalsContact C-N 3.34Å; V34-Q36 PolarHBondContact O-N 3.49Å; Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 3.17Å; Q36-H39 WeakPolarHBondContact O-CB 3.43Å; Q36-H39 PolarHBondContact O-N 3.27Å; Q36-H39 VanDerWaalsContact O-N 3.13Å; Q36-E40 WeakPolarHBondContact O-CG 3.33Å; Q36-E40 PolarHBondContact O-N 3.16Å
37H89.9Confident89.3Confident125 Ų12585.4 Ų85.458%0.57943%0.427SS*.Hα-helixtrans-62.6-38.4175.2-170.355000112.7P33 V34 H39 E40 L41P33-H37 PolarHBondContact O-N 3.2Å; V34-H37 PolarHBondContact O-N 2.65Å; H37-H39 VanDerWaalsContact C-N 3.32Å; H37-H39 PolarHBondContact O-N 2.96Å; H37-E40 IonicContact ND1-OE2 3.39Å; H37-E40 PolarHBondContact O-N 2.82Å; H37-L41 PolarHBondContact O-N 2.81Å
38A89.2Confident89.4Confident8 Ų883.3 Ų83.37%0.06642%0.418CS..Hα-helixtrans-63.3-36.6173.900000112.5A21 C24 I25 V34 R35 Q36 L42A21-A38 HydrophobicContact CB-CB 3.84Å; C24-A38 HydrophobicContact CB-CB 4.39Å; I25-A38 HydrophobicContact CD1-CB 4.01Å; I25-A38 HydrophobicContact CG1-CB 3.75Å; V34-A38 PolarHBondContact O-N 3.48Å; R35-A38 WeakPolarHBondContact O-CB 3.39Å; R35-A38 PolarHBondContact O-N 3.28Å; Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 3.17Å; A38-L42 PolarHBondContact O-N 3.47Å
39H91Very high89.2Confident83 Ų8381.5 Ų81.538%0.38442%0.417SS..Hα-helixtrans-67.9-43.2172.3-78.4-65.7000112.5R35 Q36 H37 L41 L42 E43R35-H39 PolarHBondContact O-CD2 3.44Å; R35-H39 PolarHBondContact O-N 3.47Å; Q36-H39 WeakPolarHBondContact O-CB 3.43Å; Q36-H39 PolarHBondContact O-N 3.27Å; Q36-H39 VanDerWaalsContact O-N 3.13Å; H37-H39 VanDerWaalsContact C-N 3.32Å; H37-H39 PolarHBondContact O-N 2.96Å; H39-L41 VanDerWaalsContact C-N 3.3Å; H39-L41 PolarHBondContact O-N 2.99Å; H39-L42 WeakPolarHBondContact O-CB 3.17Å; H39-L42 PolarHBondContact O-N 3.08Å; H39-L42 VanDerWaalsContact O-N 3.11Å; H39-E43 PolarHBondContact O-N 2.81Å; H39-E43 VanDerWaalsContact O-N 3.08Å
40E91.2Very high89.1Confident89 Ų8974.7 Ų74.742%0.41639%0.39SS..Hα-helixtrans-57.1-45176.1-72.4167.4-178.900111Q36 H37 L42 E43 E44Q36-E40 WeakPolarHBondContact O-CG 3.33Å; Q36-E40 PolarHBondContact O-N 3.16Å; H37-E40 IonicContact ND1-OE2 3.39Å; H37-E40 PolarHBondContact O-N 2.82Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.06Å; E40-E43 PolarHBondContact O-N 2.76Å; E40-E43 VanDerWaalsContact O-N 3.15Å; E40-E44 WeakPolarHBondContact O-CG 3.32Å; E40-E44 PolarHBondContact O-N 3.15Å
41L90.9Very high89.3Confident33 Ų3373.8 Ų73.817%0.17338%0.384CS..Hα-helixtrans-58.7-40.3175.9-177.268000112.3Q17 A21 H37 H39 E44 V45Q17-L41 HydrophobicContact CB-CD2 4.08Å; A21-L41 HydrophobicContact CB-CD2 3.96Å; H37-L41 PolarHBondContact O-N 2.81Å; H39-L41 VanDerWaalsContact C-N 3.3Å; H39-L41 PolarHBondContact O-N 2.99Å; L41-E44 PolarHBondContact O-N 3.46Å; L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 2.8Å
42L90.6Very high89.5Confident17 Ų1768.5 Ų68.59%0.08936%0.356CS..Hα-helixtrans-65.3-39.3176.7-82173000112.5V18 V22 I25 A38 H39 E40 V45 K46V18-L42 HydrophobicContact CG1-CD2 3.59Å; V22-L42 HydrophobicContact CG2-CD1 4.36Å; V22-L42 HydrophobicContact CG2-CD2 4.25Å; I25-L42 HydrophobicContact CD1-CD1 3.33Å; I25-L42 HydrophobicContact CD1-CG 4.37Å; A38-L42 PolarHBondContact O-N 3.47Å; H39-L42 WeakPolarHBondContact O-CB 3.17Å; H39-L42 PolarHBondContact O-N 3.08Å; H39-L42 VanDerWaalsContact O-N 3.11Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.06Å; L42-V45 PolarHBondContact O-N 3.49Å; L42-K46 WeakPolarHBondContact O-CG 3.42Å; L42-K46 PolarHBondContact O-N 3.36Å; L42-K46 VanDerWaalsContact O-N 3.08Å
43E90.1Very high89.6Confident99 Ų9967.4 Ų67.446%0.46334%0.341SS..Hα-helixtrans-68.3-38.9175.9-63.6-51.4132.500111.7H39 E40 V45 K46 E47H39-E43 PolarHBondContact O-N 2.81Å; H39-E43 VanDerWaalsContact O-N 3.08Å; E40-E43 PolarHBondContact O-N 2.76Å; E40-E43 VanDerWaalsContact O-N 3.15Å; E43-V45 VanDerWaalsContact C-N 3.33Å; E43-V45 PolarHBondContact O-N 3.21Å; E43-K46 PolarHBondContact O-N 2.93Å; E43-K46 IonicContact OE1-NZ 3.32Å; E43-K46 PolarHBondContact OE1-NZ 2.86Å; E43-K46 WeakPolarHBondContact OE2-CD 3.47Å; E43-K46 IonicContact OE2-NZ 3.04Å; E43-K46 PolarHBondContact OE2-NZ 3.19Å; E43-E47 PolarHBondContact O-N 3.46Å
44E90.2Very high89.6Confident133 Ų13363 Ų6362%0.62131%0.311SS*.Hα-helixtrans-60.7-42.4173.4-72.7-179.1179.600111.9E40 L41 E47 S48E40-E44 WeakPolarHBondContact O-CG 3.32Å; E40-E44 PolarHBondContact O-N 3.15Å; L41-E44 PolarHBondContact O-N 3.46Å; E44-E47 PolarHBondContact O-N 3.31Å; E44-S48 PolarHBondContact O-N 2.94Å
45V90.7Very high89.8Confident4 Ų459.3 Ų59.32%0.02429%0.29CS..Hα-helixtrans-67.1-37179.1168.20000111.7V18 L41 L42 E43 E47 S48 C51 I54 L74V18-V45 HydrophobicContact CG2-CB 4.46Å; V18-V45 HydrophobicContact CG2-CG1 4.4Å; V18-V45 HydrophobicContact CG2-CG2 3.72Å; L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 2.8Å; L42-V45 PolarHBondContact O-N 3.49Å; E43-V45 VanDerWaalsContact C-N 3.33Å; E43-V45 PolarHBondContact O-N 3.21Å; V45-E47 VanDerWaalsContact C-N 3.28Å; V45-E47 PolarHBondContact O-N 3.45Å; V45-S48 WeakPolarHBondContact O-CB 3.41Å; V45-S48 PolarHBondContact O-N 3.39Å; V45-S48 VanDerWaalsContact O-N 3.14Å; V45-S48 PolarHBondContact O-OG 3.26Å; V45-C51 WeakPolarHBondContact O-CB 3.33Å; V45-I54 HydrophobicContact CG1-CB 4.47Å; V45-I54 HydrophobicContact CG1-CD1 3.84Å; V45-I54 HydrophobicContact CG1-CG2 4.22Å; V45-I54 HydrophobicContact CG2-CD1 4.4Å; V45-L74 HydrophobicContact CG1-CD1 4.1Å; V45-L74 HydrophobicContact CG1-CD2 4.44Å
46K89.9Confident89.9Confident47 Ų4755.5 Ų55.520%0.20428%0.275CS..Hα-helixtrans-58.1-40175.4-77.9172.9-173.6170.20112.3L42 E43 S48 L74 Q82L42-K46 WeakPolarHBondContact O-CG 3.42Å; L42-K46 PolarHBondContact O-N 3.36Å; L42-K46 VanDerWaalsContact O-N 3.08Å; E43-K46 PolarHBondContact O-N 2.93Å; E43-K46 IonicContact OE1-NZ 3.32Å; E43-K46 PolarHBondContact OE1-NZ 2.86Å; E43-K46 WeakPolarHBondContact OE2-CD 3.47Å; E43-K46 IonicContact OE2-NZ 3.04Å; E43-K46 PolarHBondContact OE2-NZ 3.19Å; K46-S48 VanDerWaalsContact C-N 3.32Å; K46-L74 HydrophobicContact CG-CD2 3.56Å; K46-Q82 PolarHBondContact O-NE2 3.16Å
47E86.8Confident89.9Confident131 Ų13152.8 Ų52.861%0.61226%0.263SS*.Hα-helixtrans-82.1-9.4179.6-65.8-59.5148.600113.7E43 E44 V45E43-E47 PolarHBondContact O-N 3.46Å; E44-E47 PolarHBondContact O-N 3.31Å; V45-E47 VanDerWaalsContact C-N 3.28Å; V45-E47 PolarHBondContact O-N 3.45Å
48S87.9Confident89.9Confident30 Ų3046.9 Ų46.921%0.2124%0.235CC..SBendtrans-80.2151.1-178.680.40000113.6E44 V45 K46 A50 C51E44-S48 PolarHBondContact O-N 2.94Å; V45-S48 WeakPolarHBondContact O-CB 3.41Å; V45-S48 PolarHBondContact O-N 3.39Å; V45-S48 VanDerWaalsContact O-N 3.14Å; V45-S48 PolarHBondContact O-OG 3.26Å; K46-S48 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.9Å; S48-A50 VanDerWaalsContact O-N 3.17Å; S48-A50 PolarHBondContact OG-N 2.88Å; S48-C51 VanDerWaalsContact O-CB 3.3Å; S48-C51 WeakPolarHBondContact O-CB 3.31Å; S48-C51 PolarHBondContact O-N 2.93Å; S48-C51 PolarHBondContact OG-N 3.37Å
49D83.8Confident89.8Confident161 Ų16147.3 Ų47.386%0.86124%0.236SC*.THydrogen-bonded Turntrans-64.1-17.7172.9-68.9-30.5000112.9
50A86.8Confident89.6Confident23 Ų2349.4 Ų49.419%0.1925%0.246CC..THydrogen-bonded Turntrans-87.3-2.1179.400000113.5S48 L52 D53 I54S48-A50 PolarHBondContact O-N 2.9Å; S48-A50 VanDerWaalsContact O-N 3.17Å; S48-A50 PolarHBondContact OG-N 2.88Å; A50-L52 VanDerWaalsContact C-N 3.31Å; A50-L52 PolarHBondContact O-N 2.93Å; A50-D53 PolarHBondContact O-N 3.49Å; A50-D53 VanDerWaalsContact O-N 3.13Å; A50-I54 HydrophobicContact CB-CD1 3.83Å; A50-I54 HydrophobicContact CB-CG1 4.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.48Å; A50-I54 PolarHBondContact O-N 3.39Å
51C90.7Very high89Confident0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-49.9-47.4-175-176.10000113.1V45 S48 G55V45-C51 WeakPolarHBondContact O-CB 3.33Å; S48-C51 VanDerWaalsContact O-CB 3.3Å; S48-C51 WeakPolarHBondContact O-CB 3.31Å; S48-C51 PolarHBondContact O-N 2.93Å; S48-C51 PolarHBondContact OG-N 3.37Å; C51-G55 PolarHBondContact O-N 3.28Å
52L91.3Very high88.1Confident7 Ų750.6 Ų50.64%0.03727%0.267CS..Hα-helixtrans-64.5-47.7179.9-78.5167.2000112.4A50 G55 F56 V75 A78 L86 V94A50-L52 VanDerWaalsContact C-N 3.31Å; A50-L52 PolarHBondContact O-N 2.93Å; L52-G55 PolarHBondContact O-N 3.16Å; L52-F56 HydrophobicContact CD2-CE2 4.41Å; L52-F56 WeakPolarHBondContact O-CD2 3.43Å; L52-F56 PolarHBondContact O-N 2.84Å; L52-V75 HydrophobicContact CD2-CG1 4.32Å; L52-A78 HydrophobicContact CD1-CB 4.36Å; L52-A78 HydrophobicContact CD2-CB 3.58Å; L52-A78 HydrophobicContact CG-CB 3.62Å; L52-L86 HydrophobicContact CD1-CD1 3.79Å; L52-L86 HydrophobicContact CD1-CD2 3.85Å; L52-L86 HydrophobicContact CD1-CG 4.49Å; L52-V94 HydrophobicContact CD1-CG2 3.75Å; L52-V94 HydrophobicContact CD2-CG1 4.26Å; L52-V94 HydrophobicContact CD2-CG2 3.99Å; L52-V94 HydrophobicContact CG-CG2 4.43Å
53D90.2Very high87.2Confident48 Ų4853.2 Ų53.226%0.25730%0.298SS..Hα-helixtrans-69.3-39.7-175.4-65.2-41.3000110.6T11 A50 E57 K90 R97T11-D53 HydrophobicContact CG2-CB 3.85Å; A50-D53 PolarHBondContact O-N 3.49Å; A50-D53 VanDerWaalsContact O-N 3.13Å; D53-E57 WeakPolarHBondContact O-CG 3.41Å; D53-E57 PolarHBondContact O-N 3.49Å; D53-K90 IonicContact OD1-NZ 3.08Å; D53-K90 PolarHBondContact OD1-NZ 2.91Å; D53-K90 IonicContact OD2-NZ 4Å; D53-R97 IonicContact OD1-NH1 3.84Å; D53-R97 PolarHBondContact OD1-NH1 2.94Å
54I91.5Very high86.8Confident0 Ų049.6 Ų49.60%029%0.285CS..Hα-helixtrans-61.3-48.5171-66.6166.7000110.7T11 M14 A15 V18 V45 A50 F56 E57 L58 L74T11-I54 HydrophobicContact CG2-CG1 4.04Å; M14-I54 HydrophobicContact CB-CD1 3.88Å; M14-I54 HydrophobicContact CB-CG1 4.46Å; A15-I54 HydrophobicContact CB-CG2 4.26Å; V18-I54 HydrophobicContact CB-CG2 4.4Å; V18-I54 HydrophobicContact CG2-CG2 4.19Å; V45-I54 HydrophobicContact CG1-CB 4.47Å; V45-I54 HydrophobicContact CG1-CD1 3.84Å; V45-I54 HydrophobicContact CG1-CG2 4.22Å; V45-I54 HydrophobicContact CG2-CD1 4.4Å; A50-I54 HydrophobicContact CB-CD1 3.83Å; A50-I54 HydrophobicContact CB-CG1 4.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.48Å; A50-I54 PolarHBondContact O-N 3.39Å; I54-F56 VanDerWaalsContact C-N 3.32Å; I54-F56 PolarHBondContact O-N 3.14Å; I54-E57 PolarHBondContact O-N 2.91Å; I54-E57 VanDerWaalsContact O-N 3.12Å; I54-L58 HydrophobicContact CG2-CD1 4.04Å; I54-L58 HydrophobicContact CG2-CG 4.31Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.37Å; I54-L74 HydrophobicContact CG2-CD1 4.28Å
55G92.4Very high86.4Confident0 Ų044.6 Ų44.60%026%0.263CS..Hα-helixtrans-58.6-42-178.700000113C51 L52 L59 G71C51-G55 PolarHBondContact O-N 3.28Å; L52-G55 PolarHBondContact O-N 3.16Å; G55-L59 PolarHBondContact O-N 3.1Å; G55-L59 VanDerWaalsContact O-N 3.15Å; G55-G71 WeakPolarHBondContact O-CA 3.43Å
56F91.9Very high86.2Confident5 Ų548 Ų482%0.02228%0.281CS..Hα-helixtrans-73.4-29.2175.7-77.9-63.7000114L52 I54 L59 Q60 V75 V94 R97L52-F56 HydrophobicContact CD2-CE2 4.41Å; L52-F56 WeakPolarHBondContact O-CD2 3.43Å; L52-F56 PolarHBondContact O-N 2.84Å; I54-F56 VanDerWaalsContact C-N 3.32Å; I54-F56 PolarHBondContact O-N 3.14Å; F56-L59 HydrophobicContact CD1-CD2 4.32Å; F56-L59 PolarHBondContact O-N 3.43Å; F56-Q60 WeakPolarHBondContact O-CG 3.23Å; F56-Q60 PolarHBondContact O-N 2.92Å; F56-V75 HydrophobicContact CD1-CG2 4.29Å; F56-V75 HydrophobicContact CD2-CG2 4.22Å; F56-V75 HydrophobicContact CE1-CG1 4.41Å; F56-V75 HydrophobicContact CE1-CG2 4.33Å; F56-V75 HydrophobicContact CE2-CG1 4.38Å; F56-V75 HydrophobicContact CE2-CG2 4.26Å; F56-V75 HydrophobicContact CG-CG2 4.22Å; F56-V75 HydrophobicContact CZ-CG1 4Å; F56-V75 HydrophobicContact CZ-CG2 4.31Å; F56-V94 HydrophobicContact CE2-CG1 4.22Å; F56-V94 HydrophobicContact CE2-CG2 4.38Å; F56-V94 HydrophobicContact CZ-CG1 4.12Å; F56-R97 HydrophobicContact CD1-CB 4.1Å; F56-R97 HydrophobicContact CE1-CB 3.56Å; F56-R97 HydrophobicContact CE2-CB 4.02Å; F56-R97 VanDerWaalsContact CG-CZ 3.49Å; F56-R97 HydrophobicContact CZ-CB 3.52Å
57E90.3Very high86.1Confident66 Ų6645.9 Ų45.931%0.30827%0.272SS..Hα-helixtrans-66.3-45171.5-78.4-55.715400111.3A15 D53 I54 L59 Q60A15-E57 HydrophobicContact CB-CB 4.1Å; D53-E57 WeakPolarHBondContact O-CG 3.41Å; D53-E57 PolarHBondContact O-N 3.49Å; I54-E57 PolarHBondContact O-N 2.91Å; I54-E57 VanDerWaalsContact O-N 3.12Å; E57-L59 PolarHBondContact O-N 3.22Å; E57-Q60 WeakPolarHBondContact O-CB 3.33Å; E57-Q60 PolarHBondContact O-N 3.16Å
58L90Very high86.3Confident1 Ų140.6 Ų40.61%0.00525%0.247CC..Hα-helixtrans-60.7-32.9175.8-64.9176.4000112.5A15 V18 F19 I54 Q60 C61 V67 L74A15-L58 WeakPolarHBondContact O-CD2 3.35Å; V18-L58 HydrophobicContact CB-CD1 4.22Å; V18-L58 HydrophobicContact CG1-CD1 3.56Å; F19-L58 HydrophobicContact CB-CD2 4.05Å; I54-L58 HydrophobicContact CG2-CD1 4.04Å; I54-L58 HydrophobicContact CG2-CG 4.31Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.37Å; L58-Q60 PolarHBondContact O-N 3.26Å; L58-C61 WeakPolarHBondContact O-CB 3.43Å; L58-C61 PolarHBondContact O-N 3.24Å; L58-V67 HydrophobicContact CB-CG1 4.06Å; L58-V67 HydrophobicContact CD2-CG1 3.72Å; L58-V67 HydrophobicContact CG-CG1 4.35Å; L58-L74 HydrophobicContact CD1-CD1 4.02Å
59L88Confident86.2Confident16 Ų1641.6 Ų41.68%0.08425%0.248CC..Hα-helixtrans-64.9-28.7175.4-174.458000112.6G55 F56 E57 C61 Q68 L72 I116 L120G55-L59 PolarHBondContact O-N 3.1Å; G55-L59 VanDerWaalsContact O-N 3.15Å; F56-L59 HydrophobicContact CD1-CD2 4.32Å; F56-L59 PolarHBondContact O-N 3.43Å; E57-L59 PolarHBondContact O-N 3.22Å; L59-C61 VanDerWaalsContact C-N 3.32Å; L59-Q68 HydrophobicContact CD1-CB 4.25Å; L59-Q68 PolarHBondContact O-NE2 3.47Å; L59-L72 HydrophobicContact CD1-CD1 4.11Å; L59-L72 HydrophobicContact CD1-CD2 4Å; L59-L72 HydrophobicContact CD1-CG 3.87Å; L59-L72 HydrophobicContact CD2-CD2 3.9Å; L59-I116 HydrophobicContact CD1-CG2 4.41Å; L59-L120 HydrophobicContact CD2-CD2 4.24Å
60Q85.3Confident86.5Confident128 Ų12834.6 Ų34.660%0.59821%0.212SC*.Hα-helixtrans-78.8-12.1178.2-66-179.544.500113.5F56 E57 L58 S62F56-Q60 WeakPolarHBondContact O-CG 3.23Å; F56-Q60 PolarHBondContact O-N 2.92Å; E57-Q60 WeakPolarHBondContact O-CB 3.33Å; E57-Q60 PolarHBondContact O-N 3.16Å; L58-Q60 PolarHBondContact O-N 3.26Å; Q60-S62 VanDerWaalsContact C-N 3.3Å; Q60-S62 PolarHBondContact O-N 3.06Å
61C80.4Confident86.8Confident40 Ų4033.5 Ų33.527%0.2720%0.203SC..  trans-69.979.6178.8-60.90000112.2F19 L58 L59 G63 A64 Q68F19-C61 HydrophobicContact CD2-CB 4.42Å; F19-C61 HydrophobicContact CE2-CB 4.22Å; L58-C61 WeakPolarHBondContact O-CB 3.43Å; L58-C61 PolarHBondContact O-N 3.24Å; L59-C61 VanDerWaalsContact C-N 3.32Å; C61-G63 PolarHBondContact O-N 3.26Å; C61-A64 PolarHBondContact O-N 3.01Å; C61-Q68 WeakPolarHBondContact O-CG 3.41Å
62S70.9Confident86.9Confident107 Ų10733.7 Ų33.775%0.74820%0.204SC*.THydrogen-bonded Turntrans-57.7128.2-178.860.80000112.2Q60Q60-S62 VanDerWaalsContact C-N 3.3Å; Q60-S62 PolarHBondContact O-N 3.06Å
63G71.2Confident86.9Confident72 Ų7237.1 Ų37.174%0.74222%0.222SC*.THydrogen-bonded Turntrans99.9-9.5175.500000115.3C61C61-G63 PolarHBondContact O-N 3.26Å
64A82.4Confident87.1Confident22 Ų2234.9 Ų34.918%0.18221%0.21CC..  trans-112.175.6177.200000111.3F19 C61 L66 V67 Q68F19-A64 HydrophobicContact CE2-CB 4.12Å; F19-A64 HydrophobicContact CZ-CB 4.45Å; C61-A64 PolarHBondContact O-N 3.01Å; A64-L66 VanDerWaalsContact C-N 3.3Å; A64-L66 PolarHBondContact O-N 3.11Å; A64-V67 HydrophobicContact CB-CB 3.97Å; A64-V67 HydrophobicContact CB-CG2 3.93Å; A64-V67 WeakPolarHBondContact O-CA 3.48Å; A64-V67 WeakPolarHBondContact O-CB 3.29Å; A64-V67 PolarHBondContact O-N 3.16Å; A64-Q68 PolarHBondContact O-N 2.88Å
65V83Confident87.3Confident28 Ų2835 Ų3517%0.1721%0.21CC..Hα-helixtrans-55-41.5-170.8176.60000112.9V67 Q68 H69 D112V65-V67 VanDerWaalsContact C-N 3.3Å; V65-V67 PolarHBondContact O-N 3.46Å; V65-Q68 PolarHBondContact O-N 3.31Å; V65-H69 WeakPolarHBondContact O-CB 3.39Å; V65-H69 PolarHBondContact O-N 3.32Å; V65-D112 HydrophobicContact CB-CB 4.17Å; V65-D112 HydrophobicContact CG1-CB 3.7Å; V65-D112 WeakPolarHBondContact CG1-O 3.17Å; V65-D112 HydrophobicContact CG2-CB 3.62Å
66L85.4Confident87.4Confident75 Ų7536.3 Ų36.339%0.39322%0.217SC..Hα-helixtrans-63-38.1178-68.2172000112H26 A64 C70H26-L66 HydrophobicContact CB-CD1 3.96Å; A64-L66 VanDerWaalsContact C-N 3.3Å; A64-L66 PolarHBondContact O-N 3.11Å; L66-C70 WeakPolarHBondContact O-CB 3.4Å; L66-C70 PolarHBondContact O-N 3.34Å
67V88.9Confident87.4Confident4 Ų437.6 Ų37.62%0.02422%0.223CC..Hα-helixtrans-70.1-44.7176.8-1800000110.6F19 V22 Q23 L58 A64 V65 H69 C70 G71F19-V67 HydrophobicContact CD2-CB 4.33Å; F19-V67 HydrophobicContact CD2-CG1 3.67Å; F19-V67 HydrophobicContact CD2-CG2 4.06Å; F19-V67 HydrophobicContact CE2-CB 4.41Å; F19-V67 HydrophobicContact CE2-CG1 4.19Å; F19-V67 HydrophobicContact CE2-CG2 4.03Å; F19-V67 HydrophobicContact CG-CG1 4.43Å; V22-V67 HydrophobicContact CB-CG2 4.28Å; V22-V67 HydrophobicContact CG1-CG2 3.95Å; Q23-V67 HydrophobicContact CG-CG2 4.49Å; L58-V67 HydrophobicContact CB-CG1 4.06Å; L58-V67 HydrophobicContact CD2-CG1 3.72Å; L58-V67 HydrophobicContact CG-CG1 4.35Å; A64-V67 HydrophobicContact CB-CB 3.97Å; A64-V67 HydrophobicContact CB-CG2 3.93Å; A64-V67 WeakPolarHBondContact O-CA 3.48Å; A64-V67 WeakPolarHBondContact O-CB 3.29Å; A64-V67 PolarHBondContact O-N 3.16Å; V65-V67 VanDerWaalsContact C-N 3.3Å; V65-V67 PolarHBondContact O-N 3.46Å; V67-H69 VanDerWaalsContact C-N 3.28Å; V67-H69 PolarHBondContact O-N 3.36Å; V67-C70 WeakPolarHBondContact O-CB 3.4Å; V67-C70 PolarHBondContact O-N 3.33Å; V67-C70 VanDerWaalsContact O-N 3.16Å; V67-G71 PolarHBondContact O-N 3.46Å
68Q89.1Confident87.5Confident19 Ų1934.5 Ų34.59%0.08921%0.208CC..Hα-helixtrans-60.2-40.9175.7-65.3-177.1-65.600111.5L59 C61 A64 V65 G71 L72 I116L59-Q68 HydrophobicContact CD1-CB 4.25Å; L59-Q68 PolarHBondContact O-NE2 3.47Å; C61-Q68 WeakPolarHBondContact O-CG 3.41Å; A64-Q68 PolarHBondContact O-N 2.88Å; V65-Q68 PolarHBondContact O-N 3.31Å; Q68-G71 PolarHBondContact O-N 2.88Å; Q68-L72 PolarHBondContact O-N 2.87Å; Q68-I116 HydrophobicContact CB-CD1 3.87Å; Q68-I116 HydrophobicContact CB-CG1 4.44Å; Q68-I116 HydrophobicContact CG-CD1 4.44Å
69H87.2Confident87.7Confident51 Ų5134.4 Ų34.424%0.23621%0.208CC..Hα-helixtrans-64.5-42.6175-17563.9000111.9V65 V67 G71 L72 L73V65-H69 WeakPolarHBondContact O-CB 3.39Å; V65-H69 PolarHBondContact O-N 3.32Å; V67-H69 VanDerWaalsContact C-N 3.28Å; V67-H69 PolarHBondContact O-N 3.36Å; H69-G71 VanDerWaalsContact C-N 3.32Å; H69-G71 PolarHBondContact O-N 3.01Å; H69-L72 WeakPolarHBondContact O-CB 3.38Å; H69-L72 PolarHBondContact O-N 3.38Å; H69-L73 WeakPolarHBondContact O-CG 3.49Å; H69-L73 PolarHBondContact O-N 3.09Å
70C90.2Very high87.8Confident15 Ų1538.9 Ų38.910%0.10122%0.224CC..Hα-helixtrans-61-41.2173.7-171.30000112V22 L66 V67 L72 L73 L74V22-C70 HydrophobicContact CG1-CB 4.15Å; V22-C70 HydrophobicContact CG2-CB 3.86Å; V22-C70 WeakPolarHBondContact CG2-SG 3.33Å; L66-C70 WeakPolarHBondContact O-CB 3.4Å; L66-C70 PolarHBondContact O-N 3.34Å; V67-C70 WeakPolarHBondContact O-CB 3.4Å; V67-C70 PolarHBondContact O-N 3.33Å; V67-C70 VanDerWaalsContact O-N 3.16Å; C70-L72 VanDerWaalsContact C-N 3.3Å; C70-L72 PolarHBondContact O-N 2.99Å; C70-L73 WeakPolarHBondContact O-CB 3.4Å; C70-L73 PolarHBondContact O-N 3.01Å; C70-L73 VanDerWaalsContact O-N 3.09Å; C70-L74 PolarHBondContact O-N 2.9Å
71G92.3Very high87.9Confident0 Ų039.5 Ų39.50%022%0.221CC..Hα-helixtrans-56.2-43.8172.800000112.5G55 V67 Q68 H69 L73 L74 V75G55-G71 WeakPolarHBondContact O-CA 3.43Å; V67-G71 PolarHBondContact O-N 3.46Å; Q68-G71 PolarHBondContact O-N 2.88Å; H69-G71 VanDerWaalsContact C-N 3.32Å; H69-G71 PolarHBondContact O-N 3.01Å; G71-L73 PolarHBondContact O-N 2.78Å; G71-L74 PolarHBondContact O-N 3.26Å; G71-V75 WeakPolarHBondContact O-CG2 3.5Å; G71-V75 PolarHBondContact O-N 3.08Å
72L92.6Very high88.4Confident3 Ų338.2 Ų38.22%0.01621%0.211CC..Hα-helixtrans-64.1-38.1174.5-69.8167.4000112.7L59 Q68 H69 C70 L74 V75 E76 I116 L120L59-L72 HydrophobicContact CD1-CD1 4.11Å; L59-L72 HydrophobicContact CD1-CD2 4Å; L59-L72 HydrophobicContact CD1-CG 3.87Å; L59-L72 HydrophobicContact CD2-CD2 3.9Å; Q68-L72 PolarHBondContact O-N 2.87Å; H69-L72 WeakPolarHBondContact O-CB 3.38Å; H69-L72 PolarHBondContact O-N 3.38Å; C70-L72 VanDerWaalsContact C-N 3.3Å; C70-L72 PolarHBondContact O-N 2.99Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 2.93Å; L72-V75 PolarHBondContact O-N 3.01Å; L72-E76 WeakPolarHBondContact O-CB 3.42Å; L72-E76 PolarHBondContact O-N 2.82Å; L72-I116 HydrophobicContact CD1-CB 4.38Å; L72-I116 HydrophobicContact CD1-CG2 4.02Å; L72-I116 WeakPolarHBondContact CD1-O 3.32Å; L72-L120 HydrophobicContact CD1-CG 4.35Å; L72-L120 HydrophobicContact CD2-CD2 3.62Å; L72-L120 HydrophobicContact CD2-CG 3.86Å
73L92.4Very high89.3Confident79 Ų7933.4 Ų33.441%0.41418%0.177SC..Hα-helixtrans-63.6-37.4175.7-68173.2000112.1H69 C70 G71 H77H69-L73 WeakPolarHBondContact O-CG 3.49Å; H69-L73 PolarHBondContact O-N 3.09Å; C70-L73 WeakPolarHBondContact O-CB 3.4Å; C70-L73 PolarHBondContact O-N 3.01Å; C70-L73 VanDerWaalsContact O-N 3.09Å; G71-L73 PolarHBondContact O-N 2.78Å; L73-H77 VanDerWaalsContact O-CB 3.28Å; L73-H77 WeakPolarHBondContact O-CB 3.44Å; L73-H77 PolarHBondContact O-N 2.85Å
74L93.9Very high90Very high2 Ų236.4 Ų36.41%0.0118%0.176CC..Hα-helixtrans-66.3-45.5174.4-67178.2000111.3V45 K46 I54 L58 C70 G71 L72 E76 H77 A78V45-L74 HydrophobicContact CG1-CD1 4.1Å; V45-L74 HydrophobicContact CG1-CD2 4.44Å; K46-L74 HydrophobicContact CG-CD2 3.56Å; I54-L74 HydrophobicContact CG2-CD1 4.28Å; L58-L74 HydrophobicContact CD1-CD1 4.02Å; C70-L74 PolarHBondContact O-N 2.9Å; G71-L74 PolarHBondContact O-N 3.26Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 2.93Å; L74-E76 PolarHBondContact O-N 3.5Å; L74-H77 PolarHBondContact O-N 2.83Å; L74-A78 PolarHBondContact O-N 3.4Å
75V95.1Very high90.3Very high1 Ų143 Ų431%0.00620%0.201CC..Hα-helixtrans-60.9-45.6176.1174.70000110.7L52 F56 G71 L72 H77 A78 I79 C123L52-V75 HydrophobicContact CD2-CG1 4.32Å; F56-V75 HydrophobicContact CD1-CG2 4.29Å; F56-V75 HydrophobicContact CD2-CG2 4.22Å; F56-V75 HydrophobicContact CE1-CG1 4.41Å; F56-V75 HydrophobicContact CE1-CG2 4.33Å; F56-V75 HydrophobicContact CE2-CG1 4.38Å; F56-V75 HydrophobicContact CE2-CG2 4.26Å; F56-V75 HydrophobicContact CG-CG2 4.22Å; F56-V75 HydrophobicContact CZ-CG1 4Å; F56-V75 HydrophobicContact CZ-CG2 4.31Å; G71-V75 WeakPolarHBondContact O-CG2 3.5Å; G71-V75 PolarHBondContact O-N 3.08Å; L72-V75 PolarHBondContact O-N 3.01Å; V75-H77 PolarHBondContact O-N 3.34Å; V75-A78 PolarHBondContact O-N 2.9Å; V75-I79 HydrophobicContact CG1-CD1 3.77Å; V75-I79 WeakPolarHBondContact O-CD1 3.38Å; V75-I79 VanDerWaalsContact O-CG1 3.25Å; V75-I79 WeakPolarHBondContact O-CG1 3.39Å; V75-I79 PolarHBondContact O-N 2.86Å; V75-C123 HydrophobicContact CG1-CB 4.44Å
76E94.1Very high90.5Very high29 Ų2943.1 Ų43.114%0.13620%0.2CC..Hα-helixtrans-59.1-46.3175.4-174-175163.600111.5L72 L74 A78 I79 R80 E126L72-E76 WeakPolarHBondContact O-CB 3.42Å; L72-E76 PolarHBondContact O-N 2.82Å; L74-E76 PolarHBondContact O-N 3.5Å; E76-A78 PolarHBondContact O-N 3.06Å; E76-I79 PolarHBondContact O-N 2.99Å; E76-R80 WeakPolarHBondContact O-CB 3.11Å; E76-R80 PolarHBondContact O-N 2.99Å; E76-E126 HydrophobicContact CG-CG 4.37Å
77H92.6Very high90.8Very high32 Ų3242.8 Ų42.815%0.14820%0.204CC..Hα-helixtrans-58.1-48.3178.217992.8000111.5L73 L74 V75 I79 R80 Y81L73-H77 VanDerWaalsContact O-CB 3.28Å; L73-H77 WeakPolarHBondContact O-CB 3.44Å; L73-H77 PolarHBondContact O-N 2.85Å; L74-H77 PolarHBondContact O-N 2.83Å; V75-H77 PolarHBondContact O-N 3.34Å; H77-I79 VanDerWaalsContact C-N 3.34Å; H77-I79 PolarHBondContact O-N 3.43Å; H77-R80 PolarHBondContact O-N 3.41Å; H77-R80 VanDerWaalsContact O-N 3.09Å; H77-Y81 AromaticContact CE1-CD2 3.42Å; H77-Y81 VanDerWaalsContact CE1-CD2 3.42Å; H77-Y81 WeakPolarHBondContact CE1-CD2 3.41Å; H77-Y81 AromaticContact CE1-CE2 3.9Å; H77-Y81 AromaticContact CG-CD2 3.88Å; H77-Y81 AromaticContact ND1-CD2 3.4Å; H77-Y81 WeakPolarHBondContact ND1-CD2 3.29Å; H77-Y81 AromaticContact ND1-CE2 3.62Å; H77-Y81 AromaticContact NE2-CD2 3.89Å; H77-Y81 WeakPolarHBondContact O-CD2 3.08Å; H77-Y81 PolarHBondContact O-N 3.44Å
78A93.5Very high90.7Very high0 Ų047.2 Ų47.20%024%0.235CC..Iπ-helixtrans-61.8-40.517800000112.1L52 L74 V75 E76 R80 Q82 W83L52-A78 HydrophobicContact CD1-CB 4.36Å; L52-A78 HydrophobicContact CD2-CB 3.58Å; L52-A78 HydrophobicContact CG-CB 3.62Å; L74-A78 PolarHBondContact O-N 3.4Å; V75-A78 PolarHBondContact O-N 2.9Å; E76-A78 PolarHBondContact O-N 3.06Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 3.25Å; A78-Q82 CarbonylContact O-C 3.53Å; A78-Q82 WeakPolarHBondContact O-CA 3.37Å; A78-Q82 WeakPolarHBondContact O-CB 3.42Å; A78-Q82 PolarHBondContact O-N 2.88Å; A78-W83 PolarHBondContact O-N 3.5Å; A78-W83 VanDerWaalsContact O-N 3.09Å
79I93.1Very high90.8Very high0 Ų053.8 Ų53.80%027%0.266CS..Iπ-helixtrans-66-34.8174.2-63.2162.6000111.3V75 E76 H77 W83 V94 C123 E126 M127 R130V75-I79 HydrophobicContact CG1-CD1 3.77Å; V75-I79 WeakPolarHBondContact O-CD1 3.38Å; V75-I79 VanDerWaalsContact O-CG1 3.25Å; V75-I79 WeakPolarHBondContact O-CG1 3.39Å; V75-I79 PolarHBondContact O-N 2.86Å; E76-I79 PolarHBondContact O-N 2.99Å; H77-I79 VanDerWaalsContact C-N 3.34Å; H77-I79 PolarHBondContact O-N 3.43Å; I79-W83 HydrophobicContact CB-CE3 4.14Å; I79-W83 HydrophobicContact CB-CZ3 4.47Å; I79-W83 HydrophobicContact CG1-CE3 4Å; I79-W83 HydrophobicContact CG1-CZ3 3.9Å; I79-W83 HydrophobicContact CG2-CD2 4.39Å; I79-W83 HydrophobicContact CG2-CE3 3.89Å; I79-W83 HydrophobicContact CG2-CZ3 4.2Å; I79-W83 WeakPolarHBondContact O-CB 3.44Å; I79-V94 HydrophobicContact CD1-CG1 4.22Å; I79-V94 HydrophobicContact CG1-CG1 4.26Å; I79-C123 HydrophobicContact CD1-CB 3.93Å; I79-E126 HydrophobicContact CB-CB 4.49Å; I79-E126 HydrophobicContact CG2-CB 3.61Å; I79-M127 HydrophobicContact CD1-CE 4.28Å; I79-M127 HydrophobicContact CD1-CG 3.91Å; I79-M127 HydrophobicContact CD1-SD 4.09Å; I79-M127 HydrophobicContact CG1-CG 4.2Å; I79-M127 HydrophobicContact CG2-CG 3.63Å; I79-R130 PolarHBondContact O-NE 3.38Å
80R89.5Confident90.9Very high110 Ų11053.3 Ų53.342%0.41526%0.263SS..Iπ-helixtrans-75.2-46.6-176.9-167.5167.6179.7165.3-1.9112.1E76 H77 A78 R130E76-R80 WeakPolarHBondContact O-CB 3.11Å; E76-R80 PolarHBondContact O-N 2.99Å; H77-R80 PolarHBondContact O-N 3.41Å; H77-R80 VanDerWaalsContact O-N 3.09Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 3.25Å; R80-R130 PolarHBondContact O-NH2 3.27Å
81Y88.9Confident91.1Very high140 Ų14055.5 Ų55.555%0.54927%0.27SS..Iπ-helixtrans-110.6-24.6-166.8-57.7-69.8000114.5H77H77-Y81 AromaticContact CE1-CD2 3.42Å; H77-Y81 VanDerWaalsContact CE1-CD2 3.42Å; H77-Y81 WeakPolarHBondContact CE1-CD2 3.41Å; H77-Y81 AromaticContact CE1-CE2 3.9Å; H77-Y81 AromaticContact CG-CD2 3.88Å; H77-Y81 AromaticContact ND1-CD2 3.4Å; H77-Y81 WeakPolarHBondContact ND1-CD2 3.29Å; H77-Y81 AromaticContact ND1-CE2 3.62Å; H77-Y81 AromaticContact NE2-CD2 3.89Å; H77-Y81 WeakPolarHBondContact O-CD2 3.08Å; H77-Y81 PolarHBondContact O-N 3.44Å
82Q90Very high91Very high13 Ų1359.2 Ų59.26%0.06129%0.292CS..Iπ-helixtrans-110.1-3.6-175.9-57.6-176.2-0.600113.9K46 A78 N84 K85 L86K46-Q82 PolarHBondContact O-NE2 3.16Å; A78-Q82 CarbonylContact O-C 3.53Å; A78-Q82 WeakPolarHBondContact O-CA 3.37Å; A78-Q82 WeakPolarHBondContact O-CB 3.42Å; A78-Q82 PolarHBondContact O-N 2.88Å; Q82-N84 VanDerWaalsContact C-N 3.26Å; Q82-N84 PolarHBondContact O-N 2.98Å; Q82-N84 VanDerWaalsContact O-N 3.11Å; Q82-K85 WeakPolarHBondContact O-CA 3.42Å; Q82-K85 WeakPolarHBondContact O-CB 3.39Å; Q82-K85 PolarHBondContact O-N 3.41Å; Q82-L86 PolarHBondContact O-N 2.84Å
83W90.1Very high91.1Very high6 Ų662.6 Ų62.62%0.02331%0.308CS..G310 helixtrans-51.5-41.5-175.5-168.2-103.6000114.7A78 I79 K85 L86 R91 V94 M127 E131A78-W83 PolarHBondContact O-N 3.5Å; A78-W83 VanDerWaalsContact O-N 3.09Å; I79-W83 HydrophobicContact CB-CE3 4.14Å; I79-W83 HydrophobicContact CB-CZ3 4.47Å; I79-W83 HydrophobicContact CG1-CE3 4Å; I79-W83 HydrophobicContact CG1-CZ3 3.9Å; I79-W83 HydrophobicContact CG2-CD2 4.39Å; I79-W83 HydrophobicContact CG2-CE3 3.89Å; I79-W83 HydrophobicContact CG2-CZ3 4.2Å; I79-W83 WeakPolarHBondContact O-CB 3.44Å; W83-K85 PolarHBondContact O-N 3.46Å; W83-L86 HydrophobicContact CE3-CD1 3.85Å; W83-L86 HydrophobicContact CZ3-CD1 4.27Å; W83-L86 WeakPolarHBondContact O-CB 3.43Å; W83-L86 PolarHBondContact O-N 3.16Å; W83-L86 VanDerWaalsContact O-N 3.16Å; W83-R91 HydrophobicContact CD2-CG 4.22Å; W83-R91 HydrophobicContact CE3-CG 4.42Å; W83-R91 HydrophobicContact CH2-CB 3.88Å; W83-R91 HydrophobicContact CH2-CG 3.98Å; W83-R91 HydrophobicContact CZ2-CB 3.81Å; W83-R91 HydrophobicContact CZ2-CG 3.74Å; W83-R91 HydrophobicContact CZ3-CG 4.31Å; W83-R91 PolarHBondContact O-NE 2.82Å; W83-R91 PolarHBondContact O-NH2 3.26Å; W83-V94 HydrophobicContact CZ3-CB 4.4Å; W83-V94 HydrophobicContact CZ3-CG1 4.16Å; W83-M127 HydrophobicContact CH2-CB 4.3Å; W83-M127 HydrophobicContact CH2-CG 3.56Å; W83-M127 HydrophobicContact CH2-SD 3.57Å; W83-M127 VanDerWaalsContact CH2-SD 3.57Å; W83-M127 HydrophobicContact CZ2-CB 4.47Å; W83-M127 HydrophobicContact CZ2-CG 4.15Å; W83-M127 HydrophobicContact CZ3-CG 3.83Å; W83-M127 HydrophobicContact CZ3-SD 3.91Å; W83-E131 HydrophobicContact CZ2-CG 3.9Å; W83-E131 PolarHBondContact NE1-OE1 3.42Å
84N86.4Confident91.2Very high136 Ų13658.8 Ų58.873%0.72729%0.288SS*.G310 helixtrans-68.8-22.7-179.4-68.9-25.8000113.1Q82 R91Q82-N84 VanDerWaalsContact C-N 3.26Å; Q82-N84 PolarHBondContact O-N 2.98Å; Q82-N84 VanDerWaalsContact O-N 3.11Å; N84-R91 PolarHBondContact O-NH2 3.48Å
85K87.8Confident91.2Very high160 Ų16061 Ų6170%0.69630%0.297SS*.G310 helixtrans-78.4-23.7174.8-57.9179.3-178.2174.60112.2Q82 W83Q82-K85 WeakPolarHBondContact O-CA 3.42Å; Q82-K85 WeakPolarHBondContact O-CB 3.39Å; Q82-K85 PolarHBondContact O-N 3.41Å; W83-K85 PolarHBondContact O-N 3.46Å
86L88Confident91.1Very high30 Ų3065.2 Ų65.216%0.15732%0.32CS..SBendtrans-72.8141-177.9-56.2176.3000111.5L52 Q82 W83 K90 R91L52-L86 HydrophobicContact CD1-CD1 3.79Å; L52-L86 HydrophobicContact CD1-CD2 3.85Å; L52-L86 HydrophobicContact CD1-CG 4.49Å; Q82-L86 PolarHBondContact O-N 2.84Å; W83-L86 HydrophobicContact CE3-CD1 3.85Å; W83-L86 HydrophobicContact CZ3-CD1 4.27Å; W83-L86 WeakPolarHBondContact O-CB 3.43Å; W83-L86 PolarHBondContact O-N 3.16Å; W83-L86 VanDerWaalsContact O-N 3.16Å; L86-K90 HydrophobicContact CD2-CG 4.23Å; L86-R91 HydrophobicContact CB-CG 3.89Å; L86-R91 HydrophobicContact CD1-CG 4.47Å; L86-R91 PolarHBondContact O-NE 3.34Å; L86-R91 PolarHBondContact O-NH2 3.25Å
87S90.5Very high91.2Very high68 Ų6866.5 Ų66.548%0.47632%0.323SS..  trans-66157170.469.70000111.1E89 K90 R91S87-E89 PolarHBondContact O-N 3.34Å; S87-K90 PolarHBondContact O-N 3.02Å; S87-K90 PolarHBondContact OG-N 3.34Å; S87-R91 WeakPolarHBondContact O-CG 3.22Å; S87-R91 PolarHBondContact O-N 3.3Å
88S87.2Confident91.3Very high98 Ų9865 Ų6569%0.68532%0.316SS*.Hα-helixtrans-56.9-36.4176.855.80000112.4R91 V92S88-R91 PolarHBondContact O-N 3.38Å; S88-V92 WeakPolarHBondContact O-CG2 3.45Å; S88-V92 PolarHBondContact O-N 2.79Å; S88-V92 VanDerWaalsContact O-N 3.16Å
89E90.9Very high91.3Very high157 Ų15766.2 Ų66.273%0.73432%0.323SS*.Hα-helixtrans-66.5-46.2177.4-170.6172.2-167.800111.7S87 R91 V92 E93S87-E89 PolarHBondContact O-N 3.34Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 2.79Å; E89-V92 PolarHBondContact O-N 3.46Å; E89-E93 PolarHBondContact O-N 3.34Å
90K90.9Very high91.3Very high41 Ų4169.1 Ų69.118%0.17834%0.343CS..Hα-helixtrans-65.7-35.1177.7-168.460.6171.1-178.20111.7D53 L86 S87 V92 E93 V94D53-K90 IonicContact OD1-NZ 3.08Å; D53-K90 PolarHBondContact OD1-NZ 2.91Å; D53-K90 IonicContact OD2-NZ 4Å; L86-K90 HydrophobicContact CD2-CG 4.23Å; S87-K90 PolarHBondContact O-N 3.02Å; S87-K90 PolarHBondContact OG-N 3.34Å; K90-V92 PolarHBondContact O-N 2.97Å; K90-E93 HydrophobicContact CD-CB 4.43Å; K90-E93 WeakPolarHBondContact CD-OE2 2.92Å; K90-E93 VanDerWaalsContact NZ-CD 3.3Å; K90-E93 IonicContact NZ-OE1 3.61Å; K90-E93 PolarHBondContact NZ-OE1 3.21Å; K90-E93 IonicContact NZ-OE2 3.62Å; K90-E93 PolarHBondContact NZ-OE2 2.93Å; K90-E93 VanDerWaalsContact NZ-OE2 3.08Å; K90-E93 WeakPolarHBondContact O-CB 3.21Å; K90-E93 PolarHBondContact O-N 2.69Å; K90-V94 VanDerWaalsContact O-CG2 3.29Å; K90-V94 WeakPolarHBondContact O-CG2 3.31Å; K90-V94 PolarHBondContact O-N 3.12Å
91R93.3Very high91.3Very high61 Ų6165.3 Ų65.323%0.2333%0.333CS..Hα-helixtrans-61.7-43173.5-69.3179.4-167.7174.411.2112.3W83 N84 L86 S87 S88 E89 E93 V94 K95 E131W83-R91 HydrophobicContact CD2-CG 4.22Å; W83-R91 HydrophobicContact CE3-CG 4.42Å; W83-R91 HydrophobicContact CH2-CB 3.88Å; W83-R91 HydrophobicContact CH2-CG 3.98Å; W83-R91 HydrophobicContact CZ2-CB 3.81Å; W83-R91 HydrophobicContact CZ2-CG 3.74Å; W83-R91 HydrophobicContact CZ3-CG 4.31Å; W83-R91 PolarHBondContact O-NE 2.82Å; W83-R91 PolarHBondContact O-NH2 3.26Å; N84-R91 PolarHBondContact O-NH2 3.48Å; L86-R91 HydrophobicContact CB-CG 3.89Å; L86-R91 HydrophobicContact CD1-CG 4.47Å; L86-R91 PolarHBondContact O-NE 3.34Å; L86-R91 PolarHBondContact O-NH2 3.25Å; S87-R91 WeakPolarHBondContact O-CG 3.22Å; S87-R91 PolarHBondContact O-N 3.3Å; S88-R91 PolarHBondContact O-N 3.38Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 2.79Å; R91-E93 VanDerWaalsContact C-N 3.35Å; R91-V94 PolarHBondContact O-N 3.13Å; R91-K95 WeakPolarHBondContact O-CB 3.44Å; R91-K95 PolarHBondContact O-N 3.3Å; R91-E131 IonicContact NH1-OE1 3.43Å; R91-E131 PolarHBondContact NH1-OE1 3.17Å
92V91.3Very high91.5Very high78 Ų7858.6 Ų58.647%0.47331%0.307SS..Hα-helixtrans-65.9-39.1175.3173.20000110.9S88 E89 K90 K95 N96S88-V92 WeakPolarHBondContact O-CG2 3.45Å; S88-V92 PolarHBondContact O-N 2.79Å; S88-V92 VanDerWaalsContact O-N 3.16Å; E89-V92 PolarHBondContact O-N 3.46Å; K90-V92 PolarHBondContact O-N 2.97Å; V92-K95 WeakPolarHBondContact O-CB 3.22Å; V92-K95 PolarHBondContact O-N 3.16Å; V92-N96 WeakPolarHBondContact O-CB 3.47Å; V92-N96 PolarHBondContact O-N 3.47Å; V92-N96 PolarHBondContact O-ND2 2.9Å
93E93.5Very high91.6Very high73 Ų7360 Ų6034%0.34132%0.318SS..Hα-helixtrans-59.3-50.7173.9-170.2-156.5129.400111.5E89 K90 R91 K95 N96 R97E89-E93 PolarHBondContact O-N 3.34Å; K90-E93 HydrophobicContact CD-CB 4.43Å; K90-E93 WeakPolarHBondContact CD-OE2 2.92Å; K90-E93 VanDerWaalsContact NZ-CD 3.3Å; K90-E93 IonicContact NZ-OE1 3.61Å; K90-E93 PolarHBondContact NZ-OE1 3.21Å; K90-E93 IonicContact NZ-OE2 3.62Å; K90-E93 PolarHBondContact NZ-OE2 2.93Å; K90-E93 VanDerWaalsContact NZ-OE2 3.08Å; K90-E93 WeakPolarHBondContact O-CB 3.21Å; K90-E93 PolarHBondContact O-N 2.69Å; R91-E93 VanDerWaalsContact C-N 3.35Å; E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 PolarHBondContact O-N 3.13Å; E93-N96 PolarHBondContact O-N 3.26Å; E93-N96 VanDerWaalsContact O-N 3.16Å; E93-R97 WeakPolarHBondContact O-CG 3.35Å; E93-R97 PolarHBondContact O-N 2.84Å; E93-R97 IonicContact OE1-NH1 2.59Å; E93-R97 PolarHBondContact OE1-NH1 3.4Å
94V94Very high91.5Very high0 Ų063.9 Ų63.90%034%0.342CS..Hα-helixtrans-59.1-46.1178.6174.40000110.7L52 F56 I79 W83 K90 R91 N96 R97 C98 M127L52-V94 HydrophobicContact CD1-CG2 3.75Å; L52-V94 HydrophobicContact CD2-CG1 4.26Å; L52-V94 HydrophobicContact CD2-CG2 3.99Å; L52-V94 HydrophobicContact CG-CG2 4.43Å; F56-V94 HydrophobicContact CE2-CG1 4.22Å; F56-V94 HydrophobicContact CE2-CG2 4.38Å; F56-V94 HydrophobicContact CZ-CG1 4.12Å; I79-V94 HydrophobicContact CD1-CG1 4.22Å; I79-V94 HydrophobicContact CG1-CG1 4.26Å; W83-V94 HydrophobicContact CZ3-CB 4.4Å; W83-V94 HydrophobicContact CZ3-CG1 4.16Å; K90-V94 VanDerWaalsContact O-CG2 3.29Å; K90-V94 WeakPolarHBondContact O-CG2 3.31Å; K90-V94 PolarHBondContact O-N 3.12Å; R91-V94 PolarHBondContact O-N 3.13Å; V94-N96 VanDerWaalsContact C-N 3.34Å; V94-N96 PolarHBondContact O-N 3.23Å; V94-R97 PolarHBondContact O-N 3.08Å; V94-C98 PolarHBondContact O-N 3.22Å; V94-M127 HydrophobicContact CG1-SD 4.01Å
95K94.4Very high91.5Very high49 Ų4958.5 Ų58.521%0.21331%0.313CS..Hα-helixtrans-53.4-51.7174.1-173.5-168.5109.7161.30111.1R91 V92 E93 R97 C98 M99 M127 W136R91-K95 WeakPolarHBondContact O-CB 3.44Å; R91-K95 PolarHBondContact O-N 3.3Å; V92-K95 WeakPolarHBondContact O-CB 3.22Å; V92-K95 PolarHBondContact O-N 3.16Å; E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 PolarHBondContact O-N 3.13Å; K95-R97 PolarHBondContact O-N 3.21Å; K95-C98 PolarHBondContact O-N 2.93Å; K95-M99 WeakPolarHBondContact O-CB 3.39Å; K95-M99 WeakPolarHBondContact O-CG 3.36Å; K95-M99 PolarHBondContact O-N 3.08Å; K95-M127 HydrophobicContact CB-SD 4.34Å; K95-W136 HydrophobicContact CD-CD2 3.74Å; K95-W136 HydrophobicContact CD-CE3 3.85Å; K95-W136 HydrophobicContact CD-CG 4.43Å; K95-W136 HydrophobicContact CD-CH2 3.79Å; K95-W136 HydrophobicContact CD-CZ2 3.67Å; K95-W136 HydrophobicContact CD-CZ3 3.88Å; K95-W136 HydrophobicContact CG-CE3 4.23Å; K95-W136 HydrophobicContact CG-CH2 3.51Å; K95-W136 HydrophobicContact CG-CZ2 3.82Å; K95-W136 HydrophobicContact CG-CZ3 3.74Å; K95-W136 VanDerWaalsContact NZ-NE1 3.15Å
96N94Very high90.9Very high88 Ų8856.2 Ų56.247%0.47131%0.313SS..Hα-helixtrans-65.2-38.2-177.5-68.7-17.2000112.1V92 E93 V94 S100V92-N96 WeakPolarHBondContact O-CB 3.47Å; V92-N96 PolarHBondContact O-N 3.47Å; V92-N96 PolarHBondContact O-ND2 2.9Å; E93-N96 PolarHBondContact O-N 3.26Å; E93-N96 VanDerWaalsContact O-N 3.16Å; V94-N96 VanDerWaalsContact C-N 3.34Å; V94-N96 PolarHBondContact O-N 3.23Å; N96-S100 WeakPolarHBondContact O-CB 3.48Å; N96-S100 PolarHBondContact O-N 3.11Å
97R94.6Very high89.6Confident56 Ų5658.3 Ų58.321%0.21134%0.341CS..Hα-helixtrans-64-48.5176.1-71.1178.280.7171.56.7111.4D53 F56 E93 V94 K95 M99 S100 S101D53-R97 IonicContact OD1-NH1 3.84Å; D53-R97 PolarHBondContact OD1-NH1 2.94Å; F56-R97 HydrophobicContact CD1-CB 4.1Å; F56-R97 HydrophobicContact CE1-CB 3.56Å; F56-R97 HydrophobicContact CE2-CB 4.02Å; F56-R97 VanDerWaalsContact CG-CZ 3.49Å; F56-R97 HydrophobicContact CZ-CB 3.52Å; E93-R97 WeakPolarHBondContact O-CG 3.35Å; E93-R97 PolarHBondContact O-N 2.84Å; E93-R97 IonicContact OE1-NH1 2.59Å; E93-R97 PolarHBondContact OE1-NH1 3.4Å; V94-R97 PolarHBondContact O-N 3.08Å; K95-R97 PolarHBondContact O-N 3.21Å; R97-M99 PolarHBondContact O-N 3.35Å; R97-S100 PolarHBondContact O-N 2.83Å; R97-S101 PolarHBondContact O-N 3.37Å; R97-S101 PolarHBondContact O-OG 2.93Å; R97-S101 VanDerWaalsContact O-OG 3.08Å
98C94.6Very high87.7Confident1 Ų158.9 Ų58.91%0.00734%0.338CS..Hα-helixtrans-59.6-47175.8-710000112.1V94 K95 S100 S101 I102 V124 M127V94-C98 PolarHBondContact O-N 3.22Å; K95-C98 PolarHBondContact O-N 2.93Å; C98-S100 VanDerWaalsContact C-N 3.33Å; C98-S100 PolarHBondContact O-N 3.21Å; C98-S101 WeakPolarHBondContact O-CB 3.37Å; C98-S101 PolarHBondContact O-N 3.19Å; C98-I102 WeakPolarHBondContact O-CG1 3.35Å; C98-I102 PolarHBondContact O-N 2.85Å; C98-I102 VanDerWaalsContact O-N 3.11Å; C98-V124 HydrophobicContact CB-CG2 4.12Å; C98-M127 HydrophobicContact CB-CE 3.87Å
99M93.8Very high86.2Confident26 Ų2660.7 Ų60.713%0.12834%0.336CS..Hα-helixtrans-63.7-39.5178.9-67.5-63.4-72.100111.8K95 R97 I102 S103 W136 D142 L146K95-M99 WeakPolarHBondContact O-CB 3.39Å; K95-M99 WeakPolarHBondContact O-CG 3.36Å; K95-M99 PolarHBondContact O-N 3.08Å; R97-M99 PolarHBondContact O-N 3.35Å; M99-I102 PolarHBondContact O-N 3.21Å; M99-S103 PolarHBondContact O-N 3.33Å; M99-W136 HydrophobicContact CE-CZ2 4.39Å; M99-W136 HydrophobicContact CG-CH2 4.25Å; M99-W136 HydrophobicContact CG-CZ2 4.3Å; M99-W136 HydrophobicContact SD-CH2 4.04Å; M99-W136 HydrophobicContact SD-CZ2 4.15Å; M99-D142 HydrophobicContact CE-CB 3.86Å; M99-L146 HydrophobicContact CE-CD1 3.49Å; M99-L146 VanDerWaalsContact CE-CD1 3.49Å; M99-L146 HydrophobicContact CE-CG 4.01Å; M99-L146 HydrophobicContact SD-CD1 4.15Å
100S93Very high84.9Confident60 Ų6055.4 Ų55.442%0.4232%0.324SS..Hα-helixtrans-61.9-46.7174-172.60000111N96 R97 C98 I102 S103 T104N96-S100 WeakPolarHBondContact O-CB 3.48Å; N96-S100 PolarHBondContact O-N 3.11Å; R97-S100 PolarHBondContact O-N 2.83Å; C98-S100 VanDerWaalsContact C-N 3.33Å; C98-S100 PolarHBondContact O-N 3.21Å; S100-I102 PolarHBondContact O-N 3.27Å; S100-S103 WeakPolarHBondContact CA-OG 3.12Å; S100-S103 PolarHBondContact O-N 3.12Å; S100-S103 VanDerWaalsContact O-N 3.08Å; S100-S103 PolarHBondContact O-OG 3.02Å; S100-T104 PolarHBondContact O-N 2.89Å; S100-T104 PolarHBondContact O-OG1 3.3Å; S100-T104 VanDerWaalsContact O-OG1 3.08Å
101S91.1Very high83.5Confident30 Ų3062.6 Ų62.621%0.2136%0.355CS..Hα-helixtrans-56.9-38.7177.7-63.50000112.3R97 C98 T104 L105R97-S101 PolarHBondContact O-N 3.37Å; R97-S101 PolarHBondContact O-OG 2.93Å; R97-S101 VanDerWaalsContact O-OG 3.08Å; C98-S101 WeakPolarHBondContact O-CB 3.37Å; C98-S101 PolarHBondContact O-N 3.19Å; S101-T104 PolarHBondContact O-OG1 3.32Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å
102I92.5Very high82.3Confident0 Ų063.4 Ų63.40%036%0.364CS..Hα-helixtrans-68-46.9174.8-61.7166.3000110.7C98 M99 S100 T104 L105 L120 V124 L146 Q153 V156 M160C98-I102 WeakPolarHBondContact O-CG1 3.35Å; C98-I102 PolarHBondContact O-N 2.85Å; C98-I102 VanDerWaalsContact O-N 3.11Å; M99-I102 PolarHBondContact O-N 3.21Å; S100-I102 PolarHBondContact O-N 3.27Å; I102-T104 PolarHBondContact O-N 2.65Å; I102-L105 HydrophobicContact CG2-CD1 4.33Å; I102-L105 WeakPolarHBondContact O-CB 3.28Å; I102-L105 WeakPolarHBondContact O-CG 3.43Å; I102-L105 PolarHBondContact O-N 3.49Å; I102-L105 VanDerWaalsContact O-N 3.14Å; I102-L120 HydrophobicContact CD1-CB 4.44Å; I102-L120 HydrophobicContact CG1-CB 4.07Å; I102-L120 HydrophobicContact CG1-CD1 4.04Å; I102-L120 HydrophobicContact CG1-CD2 4.37Å; I102-L120 HydrophobicContact CG1-CG 4.4Å; I102-V124 HydrophobicContact CD1-CG2 3.84Å; I102-L146 HydrophobicContact CB-CD2 4.43Å; I102-L146 HydrophobicContact CG2-CD1 3.98Å; I102-L146 HydrophobicContact CG2-CD2 4Å; I102-Q153 HydrophobicContact CG2-CG 4.31Å; I102-Q153 WeakPolarHBondContact O-CG 3.35Å; I102-Q153 PolarHBondContact O-NE2 3.28Å; I102-V156 HydrophobicContact CD1-CG1 3.89Å; I102-V156 HydrophobicContact CG1-CG1 4.11Å; I102-V156 HydrophobicContact CG2-CB 4.13Å; I102-V156 HydrophobicContact CG2-CG1 4.05Å; I102-V156 HydrophobicContact CG2-CG2 4.32Å; I102-M160 HydrophobicContact CD1-SD 4.32Å
103S92Very high81.4Confident42 Ų4260.2 Ų60.229%0.29434%0.343SS..Hα-helixtrans-60.5-33-178.274.40000113.2M99 S100 Q153M99-S103 PolarHBondContact O-N 3.33Å; S100-S103 WeakPolarHBondContact CA-OG 3.12Å; S100-S103 PolarHBondContact O-N 3.12Å; S100-S103 VanDerWaalsContact O-N 3.08Å; S100-S103 PolarHBondContact O-OG 3.02Å; S103-Q153 PolarHBondContact O-NE2 3.25Å
104T88.3Confident80.8Confident87 Ų8760.2 Ų60.253%0.53435%0.345SS..THydrogen-bonded Turntrans-90.16.8-179.457.40000113.9S100 S101 I102 T106S100-T104 PolarHBondContact O-N 2.89Å; S100-T104 PolarHBondContact O-OG1 3.3Å; S100-T104 VanDerWaalsContact O-OG1 3.08Å; S101-T104 PolarHBondContact O-OG1 3.32Å; I102-T104 PolarHBondContact O-N 2.65Å; T104-T106 PolarHBondContact O-N 3.11Å
105L85.5Confident80.4Confident24 Ų2466.2 Ų66.213%0.12637%0.368CS..  trans-63.5101.1177-74170.3000110.9S101 I102 M117 L120 Q153 V156S101-L105 WeakPolarHBondContact O-CG 3.33Å; I102-L105 HydrophobicContact CG2-CD1 4.33Å; I102-L105 WeakPolarHBondContact O-CB 3.28Å; I102-L105 WeakPolarHBondContact O-CG 3.43Å; I102-L105 PolarHBondContact O-N 3.49Å; I102-L105 VanDerWaalsContact O-N 3.14Å; L105-M117 HydrophobicContact CD1-CG 4.17Å; L105-L120 HydrophobicContact CD1-CD1 4.12Å; L105-L120 HydrophobicContact CD2-CD1 4.27Å; L105-L120 HydrophobicContact CG-CD1 4.48Å; L105-Q153 PolarHBondContact O-NE2 3.33Å; L105-V156 HydrophobicContact CD1-CG2 3.82Å
106T76Confident80.1Confident112 Ų11264.5 Ų64.569%0.68736%0.361SS*.  trans-129.5149.5175.758.70000111.8T104 I108T104-T106 PolarHBondContact O-N 3.11Å; T106-I108 PolarHBondContact O-N 3.34Å
107G59.9Low79.9Confident73 Ų7360.4 Ų60.475%0.75334%0.339SS*.SBendtrans62.24415200000120.2
108I51.7Low79.7Confident80 Ų8060.1 Ų60.141%0.4134%0.342SS..  trans-140.2131.8169.7-58.7173.4000107.8T106 K113T106-I108 PolarHBondContact O-N 3.34Å; I108-K113 HydrophobicContact CB-CD 4.06Å; I108-K113 WeakPolarHBondContact O-CD 3.09Å
109E55.3Low79.5Confident137 Ų13760.2 Ų60.264%0.6434%0.343SS*.  trans-108.2147.2-174-63.6-179.9173.200110.9
110G62.8Low79.5Confident46 Ų4659 Ų5947%0.47434%0.337SS..SBendtrans107-179.7170.800000116.7D112 K113G110-D112 PolarHBondContact O-N 3.28Å; G110-K113 PolarHBondContact O-N 3.44Å
111K61.9Low79.6Confident192 Ų19256.2 Ų56.284%0.83532%0.317SS*.Hα-helixtrans-59.6-27.1-175.7-73.2-173.9176.9-178.60113.7K113 L114K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.08Å; K111-L114 WeakPolarHBondContact O-CB 3.41Å; K111-L114 PolarHBondContact O-N 3.46Å
112D67.5Low79.8Confident77 Ų7757.6 Ų57.641%0.41232%0.319SS..Hα-helixtrans-67.3-32.4-176.3-75.8-30.3000113.5V65 G110 L114 R115V65-D112 HydrophobicContact CB-CB 4.17Å; V65-D112 HydrophobicContact CG1-CB 3.7Å; V65-D112 WeakPolarHBondContact CG1-O 3.17Å; V65-D112 HydrophobicContact CG2-CB 3.62Å; G110-D112 PolarHBondContact O-N 3.28Å; D112-L114 VanDerWaalsContact C-N 3.33Å; D112-R115 PolarHBondContact O-N 3.17Å
113K74.1Confident79.9Confident11 Ų1157.6 Ų57.65%0.04832%0.319CS..Hα-helixtrans-72.3-28.8177.1-165.8171.9-174.8172.90112.7I108 G110 K111 R115 I116 M117 Y152I108-K113 HydrophobicContact CB-CD 4.06Å; I108-K113 WeakPolarHBondContact O-CD 3.09Å; G110-K113 PolarHBondContact O-N 3.44Å; K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.08Å; K113-R115 VanDerWaalsContact C-N 3.26Å; K113-R115 PolarHBondContact O-N 2.89Å; K113-I116 PolarHBondContact O-N 3.41Å; K113-I116 VanDerWaalsContact O-N 3.16Å; K113-M117 HydrophobicContact CD-SD 4.43Å; K113-M117 HydrophobicContact CG-CG 4.3Å; K113-M117 HydrophobicContact CG-SD 3.98Å; K113-M117 WeakPolarHBondContact O-CG 3.44Å; K113-M117 PolarHBondContact O-N 3.24Å; K113-Y152 HydrophobicContact CD-CD1 4.29Å; K113-Y152 HydrophobicContact CD-CE1 4.12Å
114L81Confident80.2Confident73 Ų7355.6 Ų55.638%0.38231%0.305SS..Hα-helixtrans-59-40.6176.4-167.872.1000111K111 D112 I116 M117 D118 F159K111-L114 WeakPolarHBondContact O-CB 3.41Å; K111-L114 PolarHBondContact O-N 3.46Å; D112-L114 VanDerWaalsContact C-N 3.33Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 3.32Å; L114-M117 PolarHBondContact O-N 3.12Å; L114-D118 VanDerWaalsContact O-CB 3.29Å; L114-D118 WeakPolarHBondContact O-CB 3.27Å; L114-D118 PolarHBondContact O-N 2.95Å; L114-F159 HydrophobicContact CD1-CE2 3.87Å; L114-F159 HydrophobicContact CD1-CZ 3.69Å
115R84.2Confident80.5Confident127 Ų12751.5 Ų51.548%0.47928%0.28SS..Hα-helixtrans-62.7-37.9177.4-69.2-179.6171.7163.3-6.2112.8D112 K113 G119D112-R115 PolarHBondContact O-N 3.17Å; K113-R115 VanDerWaalsContact C-N 3.26Å; K113-R115 PolarHBondContact O-N 2.89Å; R115-G119 PolarHBondContact O-N 3.42Å
116I88.3Confident80.9Confident13 Ų1350.6 Ų50.67%0.06728%0.276CS..Hα-helixtrans-73-43.8178.2-61-175.6000110.2L59 Q68 L72 K113 L114 G119 L120L59-I116 HydrophobicContact CD1-CG2 4.41Å; Q68-I116 HydrophobicContact CB-CD1 3.87Å; Q68-I116 HydrophobicContact CB-CG1 4.44Å; Q68-I116 HydrophobicContact CG-CD1 4.44Å; L72-I116 HydrophobicContact CD1-CB 4.38Å; L72-I116 HydrophobicContact CD1-CG2 4.02Å; L72-I116 WeakPolarHBondContact CD1-O 3.32Å; K113-I116 PolarHBondContact O-N 3.41Å; K113-I116 VanDerWaalsContact O-N 3.16Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 3.32Å; I116-G119 PolarHBondContact O-N 2.88Å; I116-L120 HydrophobicContact CG2-CD1 4.08Å; I116-L120 WeakPolarHBondContact O-CB 3.45Å; I116-L120 WeakPolarHBondContact O-CG 3.22Å; I116-L120 PolarHBondContact O-N 3.13Å
117M90Very high81.8Confident2 Ų245.3 Ų45.31%0.0124%0.243CC..Hα-helixtrans-61.1-46.3177.2-73.3171.758.900111.9L105 K113 L114 L120 A121 Y152 E155 V156 F159L105-M117 HydrophobicContact CD1-CG 4.17Å; K113-M117 HydrophobicContact CD-SD 4.43Å; K113-M117 HydrophobicContact CG-CG 4.3Å; K113-M117 HydrophobicContact CG-SD 3.98Å; K113-M117 WeakPolarHBondContact O-CG 3.44Å; K113-M117 PolarHBondContact O-N 3.24Å; L114-M117 PolarHBondContact O-N 3.12Å; M117-L120 PolarHBondContact O-N 3.19Å; M117-A121 WeakPolarHBondContact O-CB 3.46Å; M117-A121 PolarHBondContact O-N 2.73Å; M117-Y152 WeakPolarHBondContact CE-O 3.33Å; M117-Y152 HydrophobicContact SD-CD1 4.09Å; M117-E155 HydrophobicContact CE-CB 3.5Å; M117-E155 VanDerWaalsContact CE-CD 3.41Å; M117-E155 HydrophobicContact CE-CG 3.5Å; M117-E155 VanDerWaalsContact CE-CG 3.5Å; M117-E155 WeakPolarHBondContact CE-OE2 3.43Å; M117-V156 HydrophobicContact CB-CG2 3.85Å; M117-V156 HydrophobicContact CE-CG2 3.89Å; M117-V156 HydrophobicContact CG-CG2 3.78Å; M117-F159 HydrophobicContact CB-CD2 4.46Å; M117-F159 HydrophobicContact CB-CE2 4.27Å; M117-F159 HydrophobicContact CE-CE2 4.33Å
118D89.5Confident83.5Confident50 Ų5041.9 Ų41.927%0.26721%0.207SC..Hα-helixtrans-61.2-47.9173.7176.455.8000111.5L114 L120 A121 K122L114-D118 VanDerWaalsContact O-CB 3.29Å; L114-D118 WeakPolarHBondContact O-CB 3.27Å; L114-D118 PolarHBondContact O-N 2.95Å; D118-L120 VanDerWaalsContact C-N 3.34Å; D118-L120 PolarHBondContact O-N 2.83Å; D118-A121 WeakPolarHBondContact O-CB 3.38Å; D118-A121 PolarHBondContact O-N 3.14Å; D118-K122 VanDerWaalsContact O-CG 3.32Å; D118-K122 WeakPolarHBondContact O-CG 3.29Å; D118-K122 PolarHBondContact O-N 3.25Å; D118-K122 IonicContact OD1-NZ 3.97Å; D118-K122 WeakPolarHBondContact OD2-CE 3.42Å; D118-K122 IonicContact OD2-NZ 2.61Å; D118-K122 PolarHBondContact OD2-NZ 3.11Å
119G91.4Very high85.4Confident2 Ų239.1 Ų39.12%0.02119%0.193CC..Hα-helixtrans-61.7-37.6177.800000113.8R115 I116 K122 C123R115-G119 PolarHBondContact O-N 3.42Å; I116-G119 PolarHBondContact O-N 2.88Å; G119-K122 WeakPolarHBondContact O-CB 3.41Å; G119-K122 PolarHBondContact O-N 3.09Å; G119-C123 PolarHBondContact O-N 3.34Å; G119-C123 VanDerWaalsContact O-N 3.1Å; G119-C123 PolarHBondContact O-SG 3.5Å
120L94.2Very high87.1Confident2 Ų235.8 Ų35.81%0.0117%0.174CC..Hα-helixtrans-65.8-45.5173.1-78.3168.8000111.4L59 L72 I102 L105 I116 M117 D118 K122 C123 V124L59-L120 HydrophobicContact CD2-CD2 4.24Å; L72-L120 HydrophobicContact CD1-CG 4.35Å; L72-L120 HydrophobicContact CD2-CD2 3.62Å; L72-L120 HydrophobicContact CD2-CG 3.86Å; I102-L120 HydrophobicContact CD1-CB 4.44Å; I102-L120 HydrophobicContact CG1-CB 4.07Å; I102-L120 HydrophobicContact CG1-CD1 4.04Å; I102-L120 HydrophobicContact CG1-CD2 4.37Å; I102-L120 HydrophobicContact CG1-CG 4.4Å; L105-L120 HydrophobicContact CD1-CD1 4.12Å; L105-L120 HydrophobicContact CD2-CD1 4.27Å; L105-L120 HydrophobicContact CG-CD1 4.48Å; I116-L120 HydrophobicContact CG2-CD1 4.08Å; I116-L120 WeakPolarHBondContact O-CB 3.45Å; I116-L120 WeakPolarHBondContact O-CG 3.22Å; I116-L120 PolarHBondContact O-N 3.13Å; M117-L120 PolarHBondContact O-N 3.19Å; D118-L120 VanDerWaalsContact C-N 3.34Å; D118-L120 PolarHBondContact O-N 2.83Å; L120-K122 PolarHBondContact O-N 2.92Å; L120-C123 PolarHBondContact O-N 2.67Å; L120-V124 WeakPolarHBondContact O-CG2 3.41Å; L120-V124 PolarHBondContact O-N 2.77Å; L120-V124 VanDerWaalsContact O-N 3.09Å
121A95.2Very high88.4Confident1 Ų135.6 Ų35.61%0.00816%0.161CC..Hα-helixtrans-58.6-40.3174.900000111.1M117 D118 V124 V125 V156 F159 M160M117-A121 WeakPolarHBondContact O-CB 3.46Å; M117-A121 PolarHBondContact O-N 2.73Å; D118-A121 WeakPolarHBondContact O-CB 3.38Å; D118-A121 PolarHBondContact O-N 3.14Å; A121-V124 PolarHBondContact O-N 3.3Å; A121-V125 WeakPolarHBondContact O-CB 3.45Å; A121-V125 VanDerWaalsContact O-CG2 3.27Å; A121-V125 WeakPolarHBondContact O-CG2 3.22Å; A121-V125 PolarHBondContact O-N 2.81Å; A121-V156 HydrophobicContact CB-CG1 4.18Å; A121-F159 HydrophobicContact CB-CB 3.71Å; A121-M160 HydrophobicContact CB-CG 3.63Å
122K94.4Very high89.9Confident58 Ų5826.6 Ų26.625%0.25212%0.121SC..Hα-helixtrans-59.1-51.3177.1-74.7172.8172.8161.90112.3D118 G119 L120 V124 V125 E126 R163D118-K122 VanDerWaalsContact O-CG 3.32Å; D118-K122 WeakPolarHBondContact O-CG 3.29Å; D118-K122 PolarHBondContact O-N 3.25Å; D118-K122 IonicContact OD1-NZ 3.97Å; D118-K122 WeakPolarHBondContact OD2-CE 3.42Å; D118-K122 IonicContact OD2-NZ 2.61Å; D118-K122 PolarHBondContact OD2-NZ 3.11Å; G119-K122 WeakPolarHBondContact O-CB 3.41Å; G119-K122 PolarHBondContact O-N 3.09Å; L120-K122 PolarHBondContact O-N 2.92Å; K122-V124 VanDerWaalsContact C-N 3.33Å; K122-V124 PolarHBondContact O-N 3.16Å; K122-V125 PolarHBondContact O-N 3.13Å; K122-E126 PolarHBondContact O-N 3.01Å; K122-R163 PolarHBondContact O-NH2 3.16Å
123C95.8Very high90.9Very high0 Ų024.5 Ų24.50%011%0.112CC..Hα-helixtrans-56.6-46.6177.7-66.20000111.6V75 I79 G119 L120 E126 M127V75-C123 HydrophobicContact CG1-CB 4.44Å; I79-C123 HydrophobicContact CD1-CB 3.93Å; G119-C123 PolarHBondContact O-N 3.34Å; G119-C123 VanDerWaalsContact O-N 3.1Å; G119-C123 PolarHBondContact O-SG 3.5Å; L120-C123 PolarHBondContact O-N 2.67Å; C123-E126 PolarHBondContact O-N 3.42Å; C123-M127 PolarHBondContact O-N 3.04Å
124V96.5Very high91.6Very high0 Ų029.3 Ų29.30%014%0.135CC..Hα-helixtrans-66.6-43.8-178.91790000111.6C98 I102 L120 A121 K122 E126 M127 V128 W136 F139 M160C98-V124 HydrophobicContact CB-CG2 4.12Å; I102-V124 HydrophobicContact CD1-CG2 3.84Å; L120-V124 WeakPolarHBondContact O-CG2 3.41Å; L120-V124 PolarHBondContact O-N 2.77Å; L120-V124 VanDerWaalsContact O-N 3.09Å; A121-V124 PolarHBondContact O-N 3.3Å; K122-V124 VanDerWaalsContact C-N 3.33Å; K122-V124 PolarHBondContact O-N 3.16Å; V124-E126 VanDerWaalsContact C-N 3.29Å; V124-E126 PolarHBondContact O-N 3.23Å; V124-M127 HydrophobicContact CB-CE 4.39Å; V124-M127 HydrophobicContact CG2-CE 4.07Å; V124-M127 WeakPolarHBondContact O-CB 3.49Å; V124-M127 PolarHBondContact O-N 2.8Å; V124-V128 HydrophobicContact CG1-CG2 4.02Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.47Å; V124-V128 PolarHBondContact O-N 3.02Å; V124-W136 HydrophobicContact CG1-CH2 4.15Å; V124-W136 HydrophobicContact CG1-CZ3 4.38Å; V124-F139 HydrophobicContact CG1-CE2 4.25Å; V124-M160 HydrophobicContact CB-CG 4.39Å; V124-M160 HydrophobicContact CB-SD 3.54Å; V124-M160 VanDerWaalsContact CB-SD 3.54Å; V124-M160 HydrophobicContact CG1-SD 3.44Å; V124-M160 WeakPolarHBondContact CG1-SD 3.28Å; V124-M160 HydrophobicContact CG2-SD 4.01Å
125V95.4Very high91.9Very high1 Ų129 Ų291%0.00614%0.143CC..Hα-helixtrans-61.9-37.3178.4172.30000111.8A121 K122 M127 V128 K129 M160 R163 L164A121-V125 WeakPolarHBondContact O-CB 3.45Å; A121-V125 VanDerWaalsContact O-CG2 3.27Å; A121-V125 WeakPolarHBondContact O-CG2 3.22Å; A121-V125 PolarHBondContact O-N 2.81Å; K122-V125 PolarHBondContact O-N 3.13Å; V125-M127 VanDerWaalsContact C-N 3.31Å; V125-M127 PolarHBondContact O-N 3.31Å; V125-V128 PolarHBondContact O-N 3.3Å; V125-K129 HydrophobicContact CG1-CG 4.44Å; V125-K129 WeakPolarHBondContact O-CG 3.28Å; V125-K129 PolarHBondContact O-N 3.48Å; V125-M160 HydrophobicContact CG2-CB 4.01Å; V125-M160 HydrophobicContact CG2-CG 4.29Å; V125-M160 WeakPolarHBondContact CG2-O 3.26Å; V125-R163 HydrophobicContact CG2-CB 4.4Å; V125-L164 HydrophobicContact CG1-CB 4.29Å; V125-L164 HydrophobicContact CG1-CD1 4.33Å
126E93.3Very high92.3Very high6 Ų623.3 Ų23.33%0.02812%0.121CC..Hα-helixtrans-62.3-37.2174-72.7-55.7140.700112.7E76 I79 K122 C123 V124 K129 R130 R163E76-E126 HydrophobicContact CG-CG 4.37Å; I79-E126 HydrophobicContact CB-CB 4.49Å; I79-E126 HydrophobicContact CG2-CB 3.61Å; K122-E126 PolarHBondContact O-N 3.01Å; C123-E126 PolarHBondContact O-N 3.42Å; V124-E126 VanDerWaalsContact C-N 3.29Å; V124-E126 PolarHBondContact O-N 3.23Å; E126-K129 VanDerWaalsContact CD-CE 3.44Å; E126-K129 VanDerWaalsContact OE1-CE 3.23Å; E126-K129 WeakPolarHBondContact OE1-CE 3.48Å; E126-K129 IonicContact OE1-NZ 3.04Å; E126-K129 PolarHBondContact OE1-NZ 3.3Å; E126-K129 VanDerWaalsContact OE2-CE 3.29Å; E126-K129 WeakPolarHBondContact OE2-CE 3.16Å; E126-K129 IonicContact OE2-NZ 3.08Å; E126-K129 PolarHBondContact OE2-NZ 3.47Å; E126-R130 PolarHBondContact O-NH1 3.03Å; E126-R130 IonicContact OE2-CZ 3.5Å; E126-R130 IonicContact OE2-NH1 3.62Å; E126-R130 PolarHBondContact OE2-NH1 3.06Å; E126-R130 IonicContact OE2-NH2 2.65Å; E126-R163 IonicContact OE1-NH2 3.53Å; E126-R163 PolarHBondContact OE1-NH2 2.99Å
127M95Very high92.5Very high1 Ų126.4 Ų26.41%0.00514%0.142CC..Hα-helixtrans-69.3-44172.8-65.1-174.4-77.500111.4I79 W83 V94 K95 C98 C123 V124 V125 K129 R130 E131 W136I79-M127 HydrophobicContact CD1-CE 4.28Å; I79-M127 HydrophobicContact CD1-CG 3.91Å; I79-M127 HydrophobicContact CD1-SD 4.09Å; I79-M127 HydrophobicContact CG1-CG 4.2Å; I79-M127 HydrophobicContact CG2-CG 3.63Å; W83-M127 HydrophobicContact CH2-CB 4.3Å; W83-M127 HydrophobicContact CH2-CG 3.56Å; W83-M127 HydrophobicContact CH2-SD 3.57Å; W83-M127 VanDerWaalsContact CH2-SD 3.57Å; W83-M127 HydrophobicContact CZ2-CB 4.47Å; W83-M127 HydrophobicContact CZ2-CG 4.15Å; W83-M127 HydrophobicContact CZ3-CG 3.83Å; W83-M127 HydrophobicContact CZ3-SD 3.91Å; V94-M127 HydrophobicContact CG1-SD 4.01Å; K95-M127 HydrophobicContact CB-SD 4.34Å; C98-M127 HydrophobicContact CB-CE 3.87Å; C123-M127 PolarHBondContact O-N 3.04Å; V124-M127 HydrophobicContact CB-CE 4.39Å; V124-M127 HydrophobicContact CG2-CE 4.07Å; V124-M127 WeakPolarHBondContact O-CB 3.49Å; V124-M127 PolarHBondContact O-N 2.8Å; V125-M127 VanDerWaalsContact C-N 3.31Å; V125-M127 PolarHBondContact O-N 3.31Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 2.95Å; M127-R130 PolarHBondContact O-N 3.17Å; M127-E131 PolarHBondContact O-N 3.35Å; M127-W136 HydrophobicContact CB-CZ3 4.46Å
128V95Very high92.7Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-59.8-42.9179.8171.80000111V124 V125 R130 E131 W132 W136 F139 L164V124-V128 HydrophobicContact CG1-CG2 4.02Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.47Å; V124-V128 PolarHBondContact O-N 3.02Å; V125-V128 PolarHBondContact O-N 3.3Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-R130 VanDerWaalsContact O-N 3.09Å; V128-E131 PolarHBondContact O-N 3.4Å; V128-W132 HydrophobicContact CB-CB 4.48Å; V128-W132 HydrophobicContact CG1-CB 3.69Å; V128-W132 HydrophobicContact CG1-CD2 4.29Å; V128-W132 HydrophobicContact CG1-CE3 4.03Å; V128-W132 HydrophobicContact CG1-CG 4.18Å; V128-W132 WeakPolarHBondContact O-CB 3.44Å; V128-W132 PolarHBondContact O-N 3.07Å; V128-W136 HydrophobicContact CG2-CE3 4.34Å; V128-W136 HydrophobicContact CG2-CZ3 4.07Å; V128-F139 HydrophobicContact CG1-CD1 4.16Å; V128-F139 HydrophobicContact CG1-CE1 3.94Å; V128-F139 HydrophobicContact CG1-CZ 4.16Å; V128-F139 HydrophobicContact CG2-CD1 4.39Å; V128-F139 HydrophobicContact CG2-CD2 3.62Å; V128-F139 HydrophobicContact CG2-CE1 4.15Å; V128-F139 HydrophobicContact CG2-CE2 3.33Å; V128-F139 HydrophobicContact CG2-CG 4.15Å; V128-F139 HydrophobicContact CG2-CZ 3.63Å; V128-L164 HydrophobicContact CG1-CD1 3.92Å; V128-L164 HydrophobicContact CG1-CD2 3.77Å
129K92Very high92.9Very high23 Ų2328.3 Ų28.310%0.115%0.15CC..Hα-helixtrans-57-26.6175.9-75.9-173-64.8-167.20113.3V125 E126 M127 L164 D167 V174 Q179 L183V125-K129 HydrophobicContact CG1-CG 4.44Å; V125-K129 WeakPolarHBondContact O-CG 3.28Å; V125-K129 PolarHBondContact O-N 3.48Å; E126-K129 VanDerWaalsContact CD-CE 3.44Å; E126-K129 VanDerWaalsContact OE1-CE 3.23Å; E126-K129 WeakPolarHBondContact OE1-CE 3.48Å; E126-K129 IonicContact OE1-NZ 3.04Å; E126-K129 PolarHBondContact OE1-NZ 3.3Å; E126-K129 VanDerWaalsContact OE2-CE 3.29Å; E126-K129 WeakPolarHBondContact OE2-CE 3.16Å; E126-K129 IonicContact OE2-NZ 3.08Å; E126-K129 PolarHBondContact OE2-NZ 3.47Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 2.95Å; K129-L164 HydrophobicContact CG-CD1 4.12Å; K129-D167 HydrophobicContact CD-CB 4.11Å; K129-D167 WeakPolarHBondContact CE-OD2 3.39Å; K129-D167 IonicContact NZ-OD2 2.71Å; K129-D167 PolarHBondContact NZ-OD2 3.28Å; K129-V174 HydrophobicContact CD-CG2 4.09Å; K129-V174 HydrophobicContact CG-CG2 4.47Å; K129-Q179 WeakPolarHBondContact O-CG 3.49Å; K129-Q179 PolarHBondContact O-NE2 3.35Å; K129-L183 HydrophobicContact CB-CD1 4.43Å; K129-L183 HydrophobicContact CG-CD1 4.41Å
130R90.6Very high93.1Very high67 Ų6728.7 Ų28.725%0.25315%0.151SC..Hα-helixtrans-96.3-35.9-177-67.9169.1173.470.32.7113.2I79 R80 E126 M127 V128I79-R130 PolarHBondContact O-NE 3.38Å; R80-R130 PolarHBondContact O-NH2 3.27Å; E126-R130 PolarHBondContact O-NH1 3.03Å; E126-R130 IonicContact OE2-CZ 3.5Å; E126-R130 IonicContact OE2-NH1 3.62Å; E126-R130 PolarHBondContact OE2-NH1 3.06Å; E126-R130 IonicContact OE2-NH2 2.65Å; M127-R130 PolarHBondContact O-N 3.17Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-R130 VanDerWaalsContact O-N 3.09Å
131E90.9Very high93.1Very high41 Ų4133.4 Ų33.419%0.19217%0.173CC..Hα-helixtrans-112.9-24.4-167.4-58.7-69.2164.200113.8W83 R91 M127 V128 Q134 A135 W136W83-E131 HydrophobicContact CZ2-CG 3.9Å; W83-E131 PolarHBondContact NE1-OE1 3.42Å; R91-E131 IonicContact NH1-OE1 3.43Å; R91-E131 PolarHBondContact NH1-OE1 3.17Å; M127-E131 PolarHBondContact O-N 3.35Å; V128-E131 PolarHBondContact O-N 3.4Å; E131-Q134 PolarHBondContact O-N 3.26Å; E131-A135 HydrophobicContact CB-CB 4.1Å; E131-A135 WeakPolarHBondContact O-CA 3.35Å; E131-A135 WeakPolarHBondContact O-CB 3.47Å; E131-A135 PolarHBondContact O-N 2.82Å; E131-A135 WeakPolarHBondContact OE2-CB 3.48Å; E131-W136 HydrophobicContact CB-CB 4.4Å; E131-W136 PolarHBondContact O-N 3.48Å; E131-W136 VanDerWaalsContact O-N 3.11Å
132W93.6Very high93.1Very high3 Ų334.7 Ų34.71%0.01118%0.18CC..THydrogen-bonded Turntrans-88.9138.8176.8-173.170.3000110V128 W136 F139 M140 L164 Q179 L183 A186 L187 Y190V128-W132 HydrophobicContact CB-CB 4.48Å; V128-W132 HydrophobicContact CG1-CB 3.69Å; V128-W132 HydrophobicContact CG1-CD2 4.29Å; V128-W132 HydrophobicContact CG1-CE3 4.03Å; V128-W132 HydrophobicContact CG1-CG 4.18Å; V128-W132 WeakPolarHBondContact O-CB 3.44Å; V128-W132 PolarHBondContact O-N 3.07Å; W132-W136 VanDerWaalsContact CD1-O 3.25Å; W132-F139 HydrophobicContact CD2-CD1 4.13Å; W132-F139 HydrophobicContact CG-CB 4.19Å; W132-F139 HydrophobicContact CG-CD1 4.15Å; W132-F139 HydrophobicContact CG-CG 4.44Å; W132-M140 HydrophobicContact CZ2-CG 4.22Å; W132-L164 HydrophobicContact CE3-CD2 4.25Å; W132-L164 HydrophobicContact CZ3-CD2 4.05Å; W132-Q179 PolarHBondContact O-NE2 2.94Å; W132-L183 HydrophobicContact CD2-CD2 4.46Å; W132-L183 HydrophobicContact CE3-CD2 3.5Å; W132-L183 HydrophobicContact CZ3-CD2 4.13Å; W132-L183 WeakPolarHBondContact O-CD2 3.38Å; W132-A186 HydrophobicContact CE3-CB 4.32Å; W132-A186 HydrophobicContact CH2-CB 3.3Å; W132-A186 HydrophobicContact CZ2-CB 3.57Å; W132-A186 HydrophobicContact CZ3-CB 3.71Å; W132-L187 HydrophobicContact CH2-CD2 4.12Å; W132-L187 HydrophobicContact CH2-CG 4.33Å; W132-L187 HydrophobicContact CZ3-CD2 4.07Å; W132-L187 HydrophobicContact CZ3-CG 4.12Å; W132-Y190 HydrophobicContact CH2-CD2 4.39Å; W132-Y190 AromaticContact CZ2-CD2 3.9Å; W132-Y190 HydrophobicContact CZ2-CD2 3.9Å; W132-Y190 AromaticContact CZ2-CE2 3.99Å; W132-Y190 HydrophobicContact CZ2-CE2 3.99Å
133P88.8Confident93.2Very high34 Ų3432.2 Ų32.222%0.22117%0.169CC..THydrogen-bonded Turncis-94.6-10.98.335.4-35.5000117P137 A186P133-P137 WeakPolarHBondContact O-CA 3.33Å; P133-A186 HydrophobicContact CB-CB 4.13Å; P133-A186 HydrophobicContact CG-CB 4.14Å
134Q87.5Confident93.1Very high112 Ų11237.9 Ų37.952%0.52320%0.196SC..THydrogen-bonded Turntrans-81.5-44.2-170.3-57.995.611.500115E131E131-Q134 PolarHBondContact O-N 3.26Å
135A88.3Confident93Very high66 Ų6643.1 Ų43.155%0.54522%0.218SC..THydrogen-bonded Turntrans-88.4-18.1-174.800000112.6E131E131-A135 HydrophobicContact CB-CB 4.1Å; E131-A135 WeakPolarHBondContact O-CA 3.35Å; E131-A135 WeakPolarHBondContact O-CB 3.47Å; E131-A135 PolarHBondContact O-N 2.82Å; E131-A135 WeakPolarHBondContact OE2-CB 3.48Å
136W92.9Very high93Very high8 Ų843.4 Ų43.43%0.0322%0.22CC..  trans-130.260.4173.7-166-4.5000112.7K95 M99 V124 M127 V128 E131 W132 E138 F139 D142K95-W136 HydrophobicContact CD-CD2 3.74Å; K95-W136 HydrophobicContact CD-CE3 3.85Å; K95-W136 HydrophobicContact CD-CG 4.43Å; K95-W136 HydrophobicContact CD-CH2 3.79Å; K95-W136 HydrophobicContact CD-CZ2 3.67Å; K95-W136 HydrophobicContact CD-CZ3 3.88Å; K95-W136 HydrophobicContact CG-CE3 4.23Å; K95-W136 HydrophobicContact CG-CH2 3.51Å; K95-W136 HydrophobicContact CG-CZ2 3.82Å; K95-W136 HydrophobicContact CG-CZ3 3.74Å; K95-W136 VanDerWaalsContact NZ-NE1 3.15Å; M99-W136 HydrophobicContact CE-CZ2 4.39Å; M99-W136 HydrophobicContact CG-CH2 4.25Å; M99-W136 HydrophobicContact CG-CZ2 4.3Å; M99-W136 HydrophobicContact SD-CH2 4.04Å; M99-W136 HydrophobicContact SD-CZ2 4.15Å; V124-W136 HydrophobicContact CG1-CH2 4.15Å; V124-W136 HydrophobicContact CG1-CZ3 4.38Å; M127-W136 HydrophobicContact CB-CZ3 4.46Å; V128-W136 HydrophobicContact CG2-CE3 4.34Å; V128-W136 HydrophobicContact CG2-CZ3 4.07Å; E131-W136 HydrophobicContact CB-CB 4.4Å; E131-W136 PolarHBondContact O-N 3.48Å; E131-W136 VanDerWaalsContact O-N 3.11Å; W132-W136 VanDerWaalsContact CD1-O 3.25Å; W136-E138 PolarHBondContact O-N 3.17Å; W136-E138 VanDerWaalsContact O-N 3.15Å; W136-F139 HydrophobicContact CD2-CB 4.21Å; W136-F139 HydrophobicContact CD2-CD2 4.44Å; W136-F139 HydrophobicContact CG-CB 4.13Å; W136-F139 HydrophobicContact CH2-CD2 4.26Å; W136-F139 HydrophobicContact CZ2-CD2 4.16Å; W136-F139 HydrophobicContact CZ3-CD2 4.43Å; W136-F139 WeakPolarHBondContact O-CB 3.37Å; W136-F139 PolarHBondContact O-N 2.99Å; W136-F139 VanDerWaalsContact O-N 3.1Å; W136-D142 PolarHBondContact NE1-OD2 3.3Å
137P91.8Very high93Very high77 Ų7744.5 Ų44.550%0.523%0.228SC..THydrogen-bonded Turntrans-58.6-32.6-175.624.4-34000113.2P133 F139P133-P137 WeakPolarHBondContact O-CA 3.33Å; P137-F139 PolarHBondContact O-N 3.41Å
138E93.7Very high92.8Very high91 Ų9149.3 Ų49.343%0.42526%0.262SS..THydrogen-bonded Turntrans-75.34.6-179.6-50.8-63.1-176.700114.6W136 M140 E141 D142W136-E138 PolarHBondContact O-N 3.17Å; W136-E138 VanDerWaalsContact O-N 3.15Å; E138-M140 VanDerWaalsContact C-N 3.29Å; E138-M140 PolarHBondContact O-N 2.94Å; E138-E141 WeakPolarHBondContact O-CB 3.48Å; E138-E141 PolarHBondContact O-N 3.09Å; E138-D142 PolarHBondContact O-N 2.99Å
139F95.5Very high92.6Very high2 Ų253.5 Ų53.51%0.00928%0.283CS..Hα-helixtrans-52.8-44.9-175.7170-114.6000113V124 V128 W132 W136 P137 D142 C143 L161 L164V124-F139 HydrophobicContact CG1-CE2 4.25Å; V128-F139 HydrophobicContact CG1-CD1 4.16Å; V128-F139 HydrophobicContact CG1-CE1 3.94Å; V128-F139 HydrophobicContact CG1-CZ 4.16Å; V128-F139 HydrophobicContact CG2-CD1 4.39Å; V128-F139 HydrophobicContact CG2-CD2 3.62Å; V128-F139 HydrophobicContact CG2-CE1 4.15Å; V128-F139 HydrophobicContact CG2-CE2 3.33Å; V128-F139 HydrophobicContact CG2-CG 4.15Å; V128-F139 HydrophobicContact CG2-CZ 3.63Å; W132-F139 HydrophobicContact CD2-CD1 4.13Å; W132-F139 HydrophobicContact CG-CB 4.19Å; W132-F139 HydrophobicContact CG-CD1 4.15Å; W132-F139 HydrophobicContact CG-CG 4.44Å; W136-F139 HydrophobicContact CD2-CB 4.21Å; W136-F139 HydrophobicContact CD2-CD2 4.44Å; W136-F139 HydrophobicContact CG-CB 4.13Å; W136-F139 HydrophobicContact CH2-CD2 4.26Å; W136-F139 HydrophobicContact CZ2-CD2 4.16Å; W136-F139 HydrophobicContact CZ3-CD2 4.43Å; W136-F139 WeakPolarHBondContact O-CB 3.37Å; W136-F139 PolarHBondContact O-N 2.99Å; W136-F139 VanDerWaalsContact O-N 3.1Å; P137-F139 PolarHBondContact O-N 3.41Å; F139-D142 PolarHBondContact O-N 3.41Å; F139-C143 PolarHBondContact O-N 3.31Å; F139-C143 PolarHBondContact O-SG 3.4Å; F139-L161 HydrophobicContact CE1-CD2 4.22Å; F139-L161 HydrophobicContact CZ-CD2 4.45Å; F139-L164 HydrophobicContact CE1-CD2 4.2Å
140M94.7Very high92.4Very high10 Ų1053.7 Ų53.75%0.04929%0.292CS..Hα-helixtrans-67.4-37.5179-66.6-58.1-59.500112.1W132 E138 D142 C143 E144 L161 Y190 T193W132-M140 HydrophobicContact CZ2-CG 4.22Å; E138-M140 VanDerWaalsContact C-N 3.29Å; E138-M140 PolarHBondContact O-N 2.94Å; M140-D142 VanDerWaalsContact C-N 3.32Å; M140-C143 WeakPolarHBondContact O-CB 3.27Å; M140-C143 PolarHBondContact O-N 3.09Å; M140-E144 PolarHBondContact O-N 3.35Å; M140-E144 VanDerWaalsContact O-N 3.09Å; M140-L161 HydrophobicContact CE-CD2 4.37Å; M140-L161 HydrophobicContact SD-CD2 4.14Å; M140-Y190 HydrophobicContact CB-CD1 4.42Å; M140-Y190 HydrophobicContact CB-CE1 3.98Å; M140-Y190 HydrophobicContact CE-CD1 4.28Å; M140-Y190 HydrophobicContact CE-CG 4.33Å; M140-Y190 HydrophobicContact CG-CD1 3.98Å; M140-Y190 HydrophobicContact CG-CD2 3.9Å; M140-Y190 HydrophobicContact CG-CE1 3.85Å; M140-Y190 HydrophobicContact CG-CE2 3.78Å; M140-Y190 HydrophobicContact CG-CG 4.01Å; M140-T193 HydrophobicContact CE-CG2 4.32Å
141E94.6Very high92.2Very high101 Ų10154.5 Ų54.547%0.47230%0.304SS..Hα-helixtrans-66.1-37174.2-58.3-165.2172.400111.6E138 C143 E144 K145E138-E141 WeakPolarHBondContact O-CB 3.48Å; E138-E141 PolarHBondContact O-N 3.09Å; E141-C143 VanDerWaalsContact C-N 3.35Å; E141-E144 PolarHBondContact O-N 2.66Å; E141-K145 WeakPolarHBondContact O-CG 3.33Å; E141-K145 PolarHBondContact O-N 2.82Å
142D94.9Very high92.1Very high28 Ų2854.5 Ų54.515%0.1530%0.303CS..Hα-helixtrans-67.4-36.3176.5-68.8-22.1000111.4M99 W136 E138 F139 M140 K145 L146M99-D142 HydrophobicContact CE-CB 3.86Å; W136-D142 PolarHBondContact NE1-OD2 3.3Å; E138-D142 PolarHBondContact O-N 2.99Å; F139-D142 PolarHBondContact O-N 3.41Å; M140-D142 VanDerWaalsContact C-N 3.32Å; D142-K145 PolarHBondContact O-N 3.08Å; D142-K145 IonicContact OD1-NZ 2.95Å; D142-K145 PolarHBondContact OD1-NZ 2.87Å; D142-L146 WeakPolarHBondContact O-CG 3.43Å; D142-L146 PolarHBondContact O-N 2.9Å
143C96Very high92Very high5 Ų554.7 Ų54.73%0.03430%0.304CS..Hα-helixtrans-60.9-44.6169.5-72.60000112F139 M140 E141 K145 L146 C147 V157F139-C143 PolarHBondContact O-N 3.31Å; F139-C143 PolarHBondContact O-SG 3.4Å; M140-C143 WeakPolarHBondContact O-CB 3.27Å; M140-C143 PolarHBondContact O-N 3.09Å; E141-C143 VanDerWaalsContact C-N 3.35Å; C143-K145 PolarHBondContact O-N 3.32Å; C143-L146 PolarHBondContact O-N 3.26Å; C143-C147 PolarHBondContact O-N 3.09Å; C143-C147 PolarHBondContact O-SG 3.29Å; C143-C147 VanDerWaalsContact O-SG 3.4Å; C143-V157 HydrophobicContact CB-CG1 3.82Å; C143-V157 HydrophobicContact CB-CG2 4.32Å
144E94.2Very high92.2Very high120 Ų12053.7 Ų53.756%0.56130%0.297SS*.Hα-helixtrans-62.2-42.1177.3-71.3179.1-176.900112M140 E141 L146 C147 S148M140-E144 PolarHBondContact O-N 3.35Å; M140-E144 VanDerWaalsContact O-N 3.09Å; E141-E144 PolarHBondContact O-N 2.66Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.14Å; E144-C147 PolarHBondContact O-N 3.33Å; E144-S148 PolarHBondContact O-N 3.07Å; E144-S148 VanDerWaalsContact O-N 3.08Å
145K95Very high92.4Very high109 Ų10948.5 Ų48.547%0.47427%0.273SS..Hα-helixtrans-59.1-45.9173.8-69.9168-158.1152.80111.1E141 D142 C143 S148E141-K145 WeakPolarHBondContact O-CG 3.33Å; E141-K145 PolarHBondContact O-N 2.82Å; D142-K145 PolarHBondContact O-N 3.08Å; D142-K145 IonicContact OD1-NZ 2.95Å; D142-K145 PolarHBondContact OD1-NZ 2.87Å; C143-K145 PolarHBondContact O-N 3.32Å; K145-S148 PolarHBondContact O-N 3.14Å; K145-S148 PolarHBondContact O-OG 3.15Å
146L94.6Very high92.7Very high8 Ų845.4 Ų45.44%0.04225%0.247CC..Hα-helixtrans-60.8-45.4176.5-74.7178.5000111.8M99 I102 D142 C143 E144 S148 I149 Q153 V157 M160M99-L146 HydrophobicContact CE-CD1 3.49Å; M99-L146 VanDerWaalsContact CE-CD1 3.49Å; M99-L146 HydrophobicContact CE-CG 4.01Å; M99-L146 HydrophobicContact SD-CD1 4.15Å; I102-L146 HydrophobicContact CB-CD2 4.43Å; I102-L146 HydrophobicContact CG2-CD1 3.98Å; I102-L146 HydrophobicContact CG2-CD2 4Å; D142-L146 WeakPolarHBondContact O-CG 3.43Å; D142-L146 PolarHBondContact O-N 2.9Å; C143-L146 PolarHBondContact O-N 3.26Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.14Å; L146-S148 PolarHBondContact O-N 3.5Å; L146-I149 HydrophobicContact CD2-CD1 4.03Å; L146-I149 WeakPolarHBondContact O-CB 3.22Å; L146-I149 PolarHBondContact O-N 3.46Å; L146-I149 VanDerWaalsContact O-N 3.08Å; L146-Q153 HydrophobicContact CB-CB 4.37Å; L146-Q153 WeakPolarHBondContact O-CB 3.37Å; L146-V157 HydrophobicContact CB-CG2 3.81Å; L146-V157 HydrophobicContact CD1-CG2 4.13Å; L146-M160 HydrophobicContact CD1-CE 4.12Å
147C93Very high92.9Very high29 Ų2945 Ų4520%0.19625%0.245CC..Hα-helixtrans-57.4-33.4176.4-73.20000112.9C143 E144 I149 T154C143-C147 PolarHBondContact O-N 3.09Å; C143-C147 PolarHBondContact O-SG 3.29Å; C143-C147 VanDerWaalsContact O-SG 3.4Å; E144-C147 PolarHBondContact O-N 3.33Å; C147-I149 VanDerWaalsContact C-N 3.25Å; C147-I149 PolarHBondContact O-N 2.88Å; C147-T154 WeakPolarHBondContact CA-OG1 3.32Å; C147-T154 PolarHBondContact O-OG1 2.94Å
148S91.7Very high93.1Very high101 Ų10141.3 Ų41.371%0.70622%0.222SC*.Hα-helixtrans-70.7-15.917977.40000114.7E144 K145 L146E144-S148 PolarHBondContact O-N 3.07Å; E144-S148 VanDerWaalsContact O-N 3.08Å; K145-S148 PolarHBondContact O-N 3.14Å; K145-S148 PolarHBondContact O-OG 3.15Å; L146-S148 PolarHBondContact O-N 3.5Å
149I91Very high93.2Very high89 Ų8938.4 Ų38.446%0.45621%0.207SC..Hα-helixtrans-77-44-178.5-60.7173.3000111.1L146 C147 Q153L146-I149 HydrophobicContact CD2-CD1 4.03Å; L146-I149 WeakPolarHBondContact O-CB 3.22Å; L146-I149 PolarHBondContact O-N 3.46Å; L146-I149 VanDerWaalsContact O-N 3.08Å; C147-I149 VanDerWaalsContact C-N 3.25Å; C147-I149 PolarHBondContact O-N 2.88Å; I149-Q153 HydrophobicContact CB-CB 4.42Å; I149-Q153 HydrophobicContact CB-CG 4.03Å; I149-Q153 HydrophobicContact CD1-CG 4.43Å; I149-Q153 HydrophobicContact CG2-CG 4.07Å
150G87.7Confident93.3Very high27 Ų2738.3 Ų38.328%0.27821%0.207SC..  trans174.1175.9-173.500000115Q153 T154G150-Q153 PolarHBondContact O-N 3.42Å; G150-T154 PolarHBondContact O-N 3.08Å; G150-T154 PolarHBondContact O-OG1 2.71Å
151T86.6Confident93.4Very high83 Ų8338 Ų3851%0.50921%0.205SC..Hα-helixtrans-67-39.3-177.150.50000112.5T154 E155 L222T151-T154 WeakPolarHBondContact O-CB 3.44Å; T151-T154 PolarHBondContact O-N 3Å; T151-E155 WeakPolarHBondContact O-CB 3.22Å; T151-E155 PolarHBondContact O-N 3.08Å; T151-L222 HydrophobicContact CG2-CD2 4.01Å
152Y86.9Confident93.5Very high42 Ų4233.3 Ų33.317%0.16518%0.184CC..Hα-helixtrans-62.2-44.8176.7-66.5-71.2000111.9K113 M117 T154 E155 V156K113-Y152 HydrophobicContact CD-CD1 4.29Å; K113-Y152 HydrophobicContact CD-CE1 4.12Å; M117-Y152 WeakPolarHBondContact CE-O 3.33Å; M117-Y152 HydrophobicContact SD-CD1 4.09Å; Y152-T154 VanDerWaalsContact C-N 3.33Å; Y152-E155 WeakPolarHBondContact O-CB 3.46Å; Y152-E155 PolarHBondContact O-N 3.04Å; Y152-V156 WeakPolarHBondContact O-CG2 3.48Å; Y152-V156 PolarHBondContact O-N 3.23Å
153Q92.7Very high93.5Very high7 Ų734 Ų343%0.03318%0.184CC..Hα-helixtrans-65.4-40.9178.4-68.672.818.500110.7I102 S103 L105 L146 I149 G150 E155 V156 V157I102-Q153 HydrophobicContact CG2-CG 4.31Å; I102-Q153 WeakPolarHBondContact O-CG 3.35Å; I102-Q153 PolarHBondContact O-NE2 3.28Å; S103-Q153 PolarHBondContact O-NE2 3.25Å; L105-Q153 PolarHBondContact O-NE2 3.33Å; L146-Q153 HydrophobicContact CB-CB 4.37Å; L146-Q153 WeakPolarHBondContact O-CB 3.37Å; I149-Q153 HydrophobicContact CB-CB 4.42Å; I149-Q153 HydrophobicContact CB-CG 4.03Å; I149-Q153 HydrophobicContact CD1-CG 4.43Å; I149-Q153 HydrophobicContact CG2-CG 4.07Å; G150-Q153 PolarHBondContact O-N 3.42Å; Q153-E155 VanDerWaalsContact C-N 3.33Å; Q153-E155 PolarHBondContact O-N 2.95Å; Q153-V156 PolarHBondContact O-N 3.11Å; Q153-V157 WeakPolarHBondContact O-CG2 3.38Å; Q153-V157 PolarHBondContact O-N 2.98Å
154T93.4Very high93.5Very high13 Ų1333.8 Ų33.88%0.0818%0.183CC..Hα-helixtrans-59.6-43.5173.3-57.10000111.6C147 G150 T151 Y152 V157 L158 V201 L222C147-T154 WeakPolarHBondContact CA-OG1 3.32Å; C147-T154 PolarHBondContact O-OG1 2.94Å; G150-T154 PolarHBondContact O-N 3.08Å; G150-T154 PolarHBondContact O-OG1 2.71Å; T151-T154 WeakPolarHBondContact O-CB 3.44Å; T151-T154 PolarHBondContact O-N 3Å; Y152-T154 VanDerWaalsContact C-N 3.33Å; T154-V157 WeakPolarHBondContact O-CB 3.29Å; T154-V157 PolarHBondContact O-N 2.89Å; T154-L158 HydrophobicContact CG2-CD1 4.36Å; T154-L158 WeakPolarHBondContact O-CG 3.48Å; T154-L158 PolarHBondContact O-N 3.25Å; T154-V201 HydrophobicContact CG2-CG2 3.89Å; T154-L222 HydrophobicContact CG2-CD1 4.11Å
155E91.7Very high93.5Very high3 Ų328 Ų281%0.01416%0.156CC..Hα-helixtrans-62.3-42.8177.5-169.6177.1173.800111.8M117 T151 Y152 Q153 V157 L158 F159 R221 L222 A225M117-E155 HydrophobicContact CE-CB 3.5Å; M117-E155 VanDerWaalsContact CE-CD 3.41Å; M117-E155 HydrophobicContact CE-CG 3.5Å; M117-E155 VanDerWaalsContact CE-CG 3.5Å; M117-E155 WeakPolarHBondContact CE-OE2 3.43Å; T151-E155 WeakPolarHBondContact O-CB 3.22Å; T151-E155 PolarHBondContact O-N 3.08Å; Y152-E155 WeakPolarHBondContact O-CB 3.46Å; Y152-E155 PolarHBondContact O-N 3.04Å; Q153-E155 VanDerWaalsContact C-N 3.33Å; Q153-E155 PolarHBondContact O-N 2.95Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.46Å; E155-L158 PolarHBondContact O-N 3.31Å; E155-F159 HydrophobicContact CG-CE2 4.02Å; E155-F159 HydrophobicContact CG-CZ 3.91Å; E155-F159 PolarHBondContact O-N 3.02Å; E155-R221 WeakPolarHBondContact OE1-CD 3.39Å; E155-R221 VanDerWaalsContact OE1-CG 3.25Å; E155-R221 WeakPolarHBondContact OE1-CG 3.47Å; E155-R221 IonicContact OE1-CZ 2.6Å; E155-R221 IonicContact OE1-NE 3.98Å; E155-R221 PolarHBondContact OE1-NE 3.47Å; E155-R221 IonicContact OE2-CZ 3.55Å; E155-R221 IonicContact OE2-NE 3.91Å; E155-R221 PolarHBondContact OE2-NE 2.95Å; E155-R221 IonicContact OE2-NH2 3.74Å; E155-R221 PolarHBondContact OE2-NH2 3.23Å; E155-L222 HydrophobicContact CB-CD1 3.82Å; E155-L222 HydrophobicContact CG-CD1 4.43Å; E155-A225 HydrophobicContact CG-CB 4.33Å
156V94.3Very high93.4Very high0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-61-42172.5-179.60000111.4I102 L105 M117 A121 Y152 Q153 L158 F159 M160I102-V156 HydrophobicContact CD1-CG1 3.89Å; I102-V156 HydrophobicContact CG1-CG1 4.11Å; I102-V156 HydrophobicContact CG2-CB 4.13Å; I102-V156 HydrophobicContact CG2-CG1 4.05Å; I102-V156 HydrophobicContact CG2-CG2 4.32Å; L105-V156 HydrophobicContact CD1-CG2 3.82Å; M117-V156 HydrophobicContact CB-CG2 3.85Å; M117-V156 HydrophobicContact CE-CG2 3.89Å; M117-V156 HydrophobicContact CG-CG2 3.78Å; A121-V156 HydrophobicContact CB-CG1 4.18Å; Y152-V156 WeakPolarHBondContact O-CG2 3.48Å; Y152-V156 PolarHBondContact O-N 3.23Å; Q153-V156 PolarHBondContact O-N 3.11Å; V156-L158 VanDerWaalsContact C-N 3.31Å; V156-L158 PolarHBondContact O-N 3.18Å; V156-F159 PolarHBondContact O-N 3.44Å; V156-M160 HydrophobicContact CG1-CE 4.23Å; V156-M160 HydrophobicContact CG1-CG 4.31Å; V156-M160 HydrophobicContact CG1-SD 4.35Å; V156-M160 VanDerWaalsContact O-CG 3.32Å; V156-M160 WeakPolarHBondContact O-CG 3.47Å; V156-M160 PolarHBondContact O-N 3.41Å
157V96.9Very high93.1Very high0 Ų025.7 Ų25.70%015%0.147CC..Hα-helixtrans-60.6-40.7176.7171.50000111.6C143 L146 Q153 T154 E155 M160 L161 L197C143-V157 HydrophobicContact CB-CG1 3.82Å; C143-V157 HydrophobicContact CB-CG2 4.32Å; L146-V157 HydrophobicContact CB-CG2 3.81Å; L146-V157 HydrophobicContact CD1-CG2 4.13Å; Q153-V157 WeakPolarHBondContact O-CG2 3.38Å; Q153-V157 PolarHBondContact O-N 2.98Å; T154-V157 WeakPolarHBondContact O-CB 3.29Å; T154-V157 PolarHBondContact O-N 2.89Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.46Å; V157-M160 HydrophobicContact CB-CE 4.09Å; V157-M160 HydrophobicContact CG2-CE 3.58Å; V157-M160 PolarHBondContact O-N 3.2Å; V157-L161 HydrophobicContact CG1-CD1 3.87Å; V157-L161 HydrophobicContact CG1-CG 4.28Å; V157-L161 WeakPolarHBondContact O-CG 3.25Å; V157-L161 PolarHBondContact O-N 3.01Å; V157-L197 HydrophobicContact CG1-CD2 4.33Å
158L96.9Very high93Very high0 Ų024.4 Ų24.40%014%0.138CC..Hα-helixtrans-63-43.3175.8-67.2167.5000111.6T154 E155 V156 L161 S162 L197 V201 L222 A225 A226 L229T154-L158 HydrophobicContact CG2-CD1 4.36Å; T154-L158 WeakPolarHBondContact O-CG 3.48Å; T154-L158 PolarHBondContact O-N 3.25Å; E155-L158 PolarHBondContact O-N 3.31Å; V156-L158 VanDerWaalsContact C-N 3.31Å; V156-L158 PolarHBondContact O-N 3.18Å; L158-L161 PolarHBondContact O-N 3.14Å; L158-S162 WeakPolarHBondContact O-CB 3.23Å; L158-S162 PolarHBondContact O-N 3.25Å; L158-L197 HydrophobicContact CD2-CD2 4.16Å; L158-L197 HydrophobicContact CD2-CG 4.3Å; L158-V201 HydrophobicContact CD1-CG2 4.5Å; L158-L222 HydrophobicContact CD1-CD1 3.88Å; L158-A225 HydrophobicContact CB-CB 4.13Å; L158-A225 HydrophobicContact CD1-CB 4.13Å; L158-A226 HydrophobicContact CD1-CB 3.92Å; L158-A226 HydrophobicContact CD2-CB 4.42Å; L158-L229 HydrophobicContact CD2-CD2 3.7Å
159F95.7Very high92.8Very high29 Ų2921 Ų2113%0.12711%0.114CC..Hα-helixtrans-61.5-43.5173.3-63.9-27.5000112.4L114 M117 A121 E155 V156 S162 R163 A225L114-F159 HydrophobicContact CD1-CE2 3.87Å; L114-F159 HydrophobicContact CD1-CZ 3.69Å; M117-F159 HydrophobicContact CB-CD2 4.46Å; M117-F159 HydrophobicContact CB-CE2 4.27Å; M117-F159 HydrophobicContact CE-CE2 4.33Å; A121-F159 HydrophobicContact CB-CB 3.71Å; E155-F159 HydrophobicContact CG-CE2 4.02Å; E155-F159 HydrophobicContact CG-CZ 3.91Å; E155-F159 PolarHBondContact O-N 3.02Å; V156-F159 PolarHBondContact O-N 3.44Å; F159-S162 PolarHBondContact O-N 2.92Å; F159-R163 VanDerWaalsContact O-CB 3.27Å; F159-R163 WeakPolarHBondContact O-CB 3.18Å; F159-R163 PolarHBondContact O-N 3.21Å; F159-A225 HydrophobicContact CD1-CB 4.24Å; F159-A225 HydrophobicContact CE1-CB 3.68Å; F159-A225 HydrophobicContact CZ-CB 4.37Å
160M97.1Very high92.4Very high1 Ų121 Ų211%0.00511%0.113CC..Hα-helixtrans-59.2-50.8177.7-72.2-172.7-63.200111.5I102 A121 V124 V125 L146 V156 V157 L164I102-M160 HydrophobicContact CD1-SD 4.32Å; A121-M160 HydrophobicContact CB-CG 3.63Å; V124-M160 HydrophobicContact CB-CG 4.39Å; V124-M160 HydrophobicContact CB-SD 3.54Å; V124-M160 VanDerWaalsContact CB-SD 3.54Å; V124-M160 HydrophobicContact CG1-SD 3.44Å; V124-M160 WeakPolarHBondContact CG1-SD 3.28Å; V124-M160 HydrophobicContact CG2-SD 4.01Å; V125-M160 HydrophobicContact CG2-CB 4.01Å; V125-M160 HydrophobicContact CG2-CG 4.29Å; V125-M160 WeakPolarHBondContact CG2-O 3.26Å; L146-M160 HydrophobicContact CD1-CE 4.12Å; V156-M160 HydrophobicContact CG1-CE 4.23Å; V156-M160 HydrophobicContact CG1-CG 4.31Å; V156-M160 HydrophobicContact CG1-SD 4.35Å; V156-M160 VanDerWaalsContact O-CG 3.32Å; V156-M160 WeakPolarHBondContact O-CG 3.47Å; V156-M160 PolarHBondContact O-N 3.41Å; V157-M160 HydrophobicContact CB-CE 4.09Å; V157-M160 HydrophobicContact CG2-CE 3.58Å; V157-M160 PolarHBondContact O-N 3.2Å; M160-L164 VanDerWaalsContact O-CB 3.27Å; M160-L164 WeakPolarHBondContact O-CB 3.26Å; M160-L164 PolarHBondContact O-N 2.98Å
161L97.5Very high92.1Very high2 Ų225.2 Ų25.21%0.0113%0.129CC..Hα-helixtrans-68.7-40.7-178.1-66.3175.9000111.8F139 M140 V157 L158 L164 V165 L194 L197 L229F139-L161 HydrophobicContact CE1-CD2 4.22Å; F139-L161 HydrophobicContact CZ-CD2 4.45Å; M140-L161 HydrophobicContact CE-CD2 4.37Å; M140-L161 HydrophobicContact SD-CD2 4.14Å; V157-L161 HydrophobicContact CG1-CD1 3.87Å; V157-L161 HydrophobicContact CG1-CG 4.28Å; V157-L161 WeakPolarHBondContact O-CG 3.25Å; V157-L161 PolarHBondContact O-N 3.01Å; L158-L161 PolarHBondContact O-N 3.14Å; L161-L164 PolarHBondContact O-N 2.92Å; L161-V165 WeakPolarHBondContact O-CG2 3.27Å; L161-V165 PolarHBondContact O-N 3.31Å; L161-L194 HydrophobicContact CB-CD2 4.29Å; L161-L194 HydrophobicContact CD1-CD2 4.1Å; L161-L194 HydrophobicContact CD2-CD2 4.12Å; L161-L194 HydrophobicContact CG-CD2 4.4Å; L161-L197 HydrophobicContact CD1-CD2 3.63Å; L161-L229 HydrophobicContact CB-CD1 3.97Å; L161-L229 HydrophobicContact CB-CD2 4Å; L161-L229 HydrophobicContact CD1-CD2 4.24Å
162S96.5Very high91.8Very high4 Ų425.8 Ų25.83%0.02813%0.129CC..Hα-helixtrans-60.7-50.6178.8-168.50000110.5L158 F159 L164 V165 E166 N232L158-S162 WeakPolarHBondContact O-CB 3.23Å; L158-S162 PolarHBondContact O-N 3.25Å; F159-S162 PolarHBondContact O-N 2.92Å; S162-L164 VanDerWaalsContact C-N 3.34Å; S162-L164 PolarHBondContact O-N 3.03Å; S162-V165 PolarHBondContact O-N 2.88Å; S162-E166 WeakPolarHBondContact O-CG 3.16Å; S162-E166 PolarHBondContact O-N 3.04Å; S162-N232 PolarHBondContact OG-ND2 3.18Å
163R94.5Very high91.4Very high41 Ų4126.6 Ų26.616%0.15514%0.141CC..Hα-helixtrans-65.7-36.5-179.8-165.2169.2103.296.8-4.1112.7K122 V125 E126 F159 E166 D167K122-R163 PolarHBondContact O-NH2 3.16Å; V125-R163 HydrophobicContact CG2-CB 4.4Å; E126-R163 IonicContact OE1-NH2 3.53Å; E126-R163 PolarHBondContact OE1-NH2 2.99Å; F159-R163 VanDerWaalsContact O-CB 3.27Å; F159-R163 WeakPolarHBondContact O-CB 3.18Å; F159-R163 PolarHBondContact O-N 3.21Å; R163-E166 PolarHBondContact O-N 3.46Å; R163-D167 WeakPolarHBondContact O-CB 3.47Å; R163-D167 PolarHBondContact O-N 2.93Å
164L95.8Very high90.9Very high1 Ų127.1 Ų27.11%0.00515%0.145CC..Hα-helixtrans-63.1-42.9174.2-178.665.3000111.6V125 V128 K129 W132 F139 M160 L161 S162 V168 L187V125-L164 HydrophobicContact CG1-CB 4.29Å; V125-L164 HydrophobicContact CG1-CD1 4.33Å; V128-L164 HydrophobicContact CG1-CD1 3.92Å; V128-L164 HydrophobicContact CG1-CD2 3.77Å; K129-L164 HydrophobicContact CG-CD1 4.12Å; W132-L164 HydrophobicContact CE3-CD2 4.25Å; W132-L164 HydrophobicContact CZ3-CD2 4.05Å; F139-L164 HydrophobicContact CE1-CD2 4.2Å; M160-L164 VanDerWaalsContact O-CB 3.27Å; M160-L164 WeakPolarHBondContact O-CB 3.26Å; M160-L164 PolarHBondContact O-N 2.98Å; L161-L164 PolarHBondContact O-N 2.92Å; S162-L164 VanDerWaalsContact C-N 3.34Å; S162-L164 PolarHBondContact O-N 3.03Å; L164-V168 HydrophobicContact CD1-CG2 3.89Å; L164-V168 HydrophobicContact CG-CG2 4.43Å; L164-V168 VanDerWaalsContact O-CB 3.29Å; L164-V168 WeakPolarHBondContact O-CB 3.44Å; L164-V168 VanDerWaalsContact O-CG2 3.22Å; L164-V168 WeakPolarHBondContact O-CG2 3.46Å; L164-V168 PolarHBondContact O-N 3.38Å; L164-L187 HydrophobicContact CD2-CD2 4.05Å; L164-L187 HydrophobicContact CG-CD2 4.36Å
165V94.9Very high90Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-64.2-42.9175.8170.30000110.7L161 S162 V169 I170 L187 L194 L229 N232 V233 W236L161-V165 WeakPolarHBondContact O-CG2 3.27Å; L161-V165 PolarHBondContact O-N 3.31Å; S162-V165 PolarHBondContact O-N 2.88Å; V165-V169 HydrophobicContact CG1-CB 4.41Å; V165-V169 HydrophobicContact CG1-CG2 4.41Å; V165-V169 WeakPolarHBondContact O-CA 3.31Å; V165-V169 VanDerWaalsContact O-CB 3.26Å; V165-V169 WeakPolarHBondContact O-CB 3.23Å; V165-V169 PolarHBondContact O-N 3.15Å; V165-I170 PolarHBondContact O-N 3.33Å; V165-L187 HydrophobicContact CG2-CD1 4.38Å; V165-L187 HydrophobicContact CG2-CD2 4.19Å; V165-L194 HydrophobicContact CG2-CD1 4.31Å; V165-L229 HydrophobicContact CG2-CD1 4.44Å; V165-N232 HydrophobicContact CG1-CB 4.17Å; V165-V233 HydrophobicContact CG1-CG1 4.25Å; V165-V233 HydrophobicContact CG2-CG1 4.17Å; V165-W236 HydrophobicContact CG1-CZ2 3.92Å; V165-W236 HydrophobicContact CG2-CZ2 4.24Å
166E91.6Very high89.4Confident53 Ų5338.7 Ų38.725%0.24820%0.197CC..Iπ-helixtrans-58.3-54.3175.4-75171.9175.500111.6S162 R163 V168 I170 L171 N232S162-E166 WeakPolarHBondContact O-CG 3.16Å; S162-E166 PolarHBondContact O-N 3.04Å; R163-E166 PolarHBondContact O-N 3.46Å; E166-V168 PolarHBondContact O-N 3Å; E166-I170 HydrophobicContact CG-CD1 4.06Å; E166-I170 PolarHBondContact O-N 3.18Å; E166-I170 VanDerWaalsContact O-N 3.08Å; E166-L171 WeakPolarHBondContact O-CB 3.46Å; E166-L171 PolarHBondContact O-N 2.81Å; E166-N232 WeakPolarHBondContact CG-ND2 3.27Å; E166-N232 PolarHBondContact OE1-ND2 2.96Å
167D89.4Confident88.4Confident14 Ų1443.2 Ų43.28%0.07522%0.219CC..Iπ-helixtrans-60.8-41.9-177.8-82-18000112.7K129 R163 N172 S173K129-D167 HydrophobicContact CD-CB 4.11Å; K129-D167 WeakPolarHBondContact CE-OD2 3.39Å; K129-D167 IonicContact NZ-OD2 2.71Å; K129-D167 PolarHBondContact NZ-OD2 3.28Å; R163-D167 WeakPolarHBondContact O-CB 3.47Å; R163-D167 PolarHBondContact O-N 2.93Å; D167-N172 CarbonylContact O-C 3.59Å; D167-N172 WeakPolarHBondContact O-CA 3.32Å; D167-N172 PolarHBondContact O-N 3.09Å; D167-N172 VanDerWaalsContact O-N 3.15Å; D167-S173 WeakPolarHBondContact CA-OG 3.49Å; D167-S173 WeakPolarHBondContact CB-OG 3.22Å; D167-S173 PolarHBondContact O-N 3.3Å; D167-S173 PolarHBondContact O-OG 3.29Å; D167-S173 PolarHBondContact OD1-OG 3.47Å
168V90.9Very high87.6Confident2 Ų250.3 Ų50.31%0.01225%0.252CS..Iπ-helixtrans-86.1-40.6-172.7175.10000112.2L164 E166 V174 N180 L183 H184 L187L164-V168 HydrophobicContact CD1-CG2 3.89Å; L164-V168 HydrophobicContact CG-CG2 4.43Å; L164-V168 VanDerWaalsContact O-CB 3.29Å; L164-V168 WeakPolarHBondContact O-CB 3.44Å; L164-V168 VanDerWaalsContact O-CG2 3.22Å; L164-V168 WeakPolarHBondContact O-CG2 3.46Å; L164-V168 PolarHBondContact O-N 3.38Å; E166-V168 PolarHBondContact O-N 3Å; V168-V174 HydrophobicContact CG2-CG2 4.01Å; V168-N180 WeakPolarHBondContact CG1-OD1 3.44Å; V168-L183 HydrophobicContact CG1-CB 3.79Å; V168-L183 HydrophobicContact CG2-CB 3.91Å; V168-L183 HydrophobicContact CG2-CD1 3.86Å; V168-L183 HydrophobicContact CG2-CG 4.44Å; V168-H184 HydrophobicContact CG1-CB 4.1Å; V168-L187 HydrophobicContact CB-CD1 3.77Å; V168-L187 HydrophobicContact CG1-CD1 3.66Å; V168-L187 HydrophobicContact CG2-CD1 4.3Å
169V88Confident87.2Confident31 Ų3151.7 Ų51.719%0.18826%0.258CS..Iπ-helixtrans-105.9-44.2-168.6-173.60000112.5V165 L187 W236V165-V169 HydrophobicContact CG1-CB 4.41Å; V165-V169 HydrophobicContact CG1-CG2 4.41Å; V165-V169 WeakPolarHBondContact O-CA 3.31Å; V165-V169 VanDerWaalsContact O-CB 3.26Å; V165-V169 WeakPolarHBondContact O-CB 3.23Å; V165-V169 PolarHBondContact O-N 3.15Å; V169-L187 HydrophobicContact CG2-CD1 3.79Å; V169-W236 HydrophobicContact CG1-CB 4.16Å; V169-W236 HydrophobicContact CG1-CD2 3.95Å; V169-W236 HydrophobicContact CG1-CG 3.63Å; V169-W236 HydrophobicContact CG2-CZ2 4.31Å
170I82.5Confident86.8Confident88 Ų8850.9 Ų50.945%0.45126%0.255SS..Iπ-helixtrans-88.1-55.6-170.8-56.3179.7000110.6V165 E166 N232V165-I170 PolarHBondContact O-N 3.33Å; E166-I170 HydrophobicContact CG-CD1 4.06Å; E166-I170 PolarHBondContact O-N 3.18Å; E166-I170 VanDerWaalsContact O-N 3.08Å; I170-N232 HydrophobicContact CD1-CB 3.98Å
171L81.1Confident86.2Confident116 Ų11657.9 Ų57.961%0.60729%0.285SS*.SBendtrans-86.2-23.2-178.4-60.6177.4000112.5E166 S173E166-L171 WeakPolarHBondContact O-CB 3.46Å; E166-L171 PolarHBondContact O-N 2.81Å; L171-S173 PolarHBondContact O-N 2.98Å
172N80.4Confident86Confident95 Ų9560.5 Ų60.551%0.50830%0.298SS..  trans52.440.2-178.7-172.148.7000112D167 V174 N180D167-N172 CarbonylContact O-C 3.59Å; D167-N172 WeakPolarHBondContact O-CA 3.32Å; D167-N172 PolarHBondContact O-N 3.09Å; D167-N172 VanDerWaalsContact O-N 3.15Å; N172-V174 PolarHBondContact O-N 3.46Å; N172-N180 PolarHBondContact OD1-ND2 3.24Å
173S78.8Confident85.8Confident59 Ų5960.3 Ų60.341%0.41330%0.296SS..  trans-85-4.6-167.965.10000114.1D167 L171 E175D167-S173 WeakPolarHBondContact CA-OG 3.49Å; D167-S173 WeakPolarHBondContact CB-OG 3.22Å; D167-S173 PolarHBondContact O-N 3.3Å; D167-S173 PolarHBondContact O-OG 3.29Å; D167-S173 PolarHBondContact OD1-OG 3.47Å; L171-S173 PolarHBondContact O-N 2.98Å; S173-E175 PolarHBondContact O-N 3.41Å
174V81.7Confident85.6Confident18 Ų1861.6 Ų61.611%0.10930%0.304CS..  trans-70.9115.7-179.3-175.90000110.8K129 V168 N172 H176 N180 L183K129-V174 HydrophobicContact CD-CG2 4.09Å; K129-V174 HydrophobicContact CG-CG2 4.47Å; V168-V174 HydrophobicContact CG2-CG2 4.01Å; N172-V174 PolarHBondContact O-N 3.46Å; V174-H176 PolarHBondContact O-N 2.87Å; V174-N180 HydrophobicContact CB-CB 3.8Å; V174-N180 HydrophobicContact CG1-CB 3.95Å; V174-N180 HydrophobicContact CG2-CB 4.49Å; V174-L183 HydrophobicContact CG1-CD1 4.27Å; V174-L183 HydrophobicContact CG2-CD1 4.1Å
175E73.5Confident85.5Confident129 Ų12965.5 Ų65.560%0.60333%0.331SS*.SBendtrans-54.8-46.2-174.5-66.2175.4179.400113.6S173 Q177S173-E175 PolarHBondContact O-N 3.41Å; E175-Q177 PolarHBondContact O-N 3.45Å
176H80Confident85.4Confident130 Ų13066.1 Ų66.160%0.60234%0.336SS*.  trans-88.3105.8-176.5-70.582.7000110.9V174 Q178 Q179 N180V174-H176 PolarHBondContact O-N 2.87Å; H176-Q178 VanDerWaalsContact C-N 3.31Å; H176-Q178 PolarHBondContact O-N 2.61Å; H176-Q179 HydrophobicContact CB-CB 3.98Å; H176-Q179 WeakPolarHBondContact O-CB 3.32Å; H176-Q179 PolarHBondContact O-N 2.9Å; H176-Q179 VanDerWaalsContact O-N 3.16Å; H176-N180 PolarHBondContact O-N 3.4Å
177Q72.8Confident85.6Confident95 Ų9563.7 Ų63.744%0.44433%0.325SS..Hα-helixtrans-61.8-32.2-174.5-72.1-142-29.500115E175 N180 K181E175-Q177 PolarHBondContact O-N 3.45Å; Q177-N180 PolarHBondContact O-N 2.76Å; Q177-K181 WeakPolarHBondContact O-CG 3.46Å; Q177-K181 PolarHBondContact O-N 3.33Å
178Q81Confident85.8Confident148 Ų14866.4 Ų66.469%0.69234%0.338SS*.Hα-helixtrans-67.2-44.3177.7-176.7169.6-10.800110.9H176 N180 K181 Q182H176-Q178 VanDerWaalsContact C-N 3.31Å; H176-Q178 PolarHBondContact O-N 2.61Å; Q178-N180 VanDerWaalsContact C-N 3.34Å; Q178-K181 PolarHBondContact O-N 3.41Å; Q178-Q182 WeakPolarHBondContact O-CG 3.45Å; Q178-Q182 PolarHBondContact O-N 3.22Å
179Q87.8Confident85.9Confident30 Ų3073.1 Ų73.114%0.1437%0.369CS..Hα-helixtrans-60.8-45.7173.6-175.56113.400110.7K129 W132 H176 K181 Q182 L183K129-Q179 WeakPolarHBondContact O-CG 3.49Å; K129-Q179 PolarHBondContact O-NE2 3.35Å; W132-Q179 PolarHBondContact O-NE2 2.94Å; H176-Q179 HydrophobicContact CB-CB 3.98Å; H176-Q179 WeakPolarHBondContact O-CB 3.32Å; H176-Q179 PolarHBondContact O-N 2.9Å; H176-Q179 VanDerWaalsContact O-N 3.16Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.94Å; Q179-Q182 WeakPolarHBondContact O-CB 3.48Å; Q179-Q182 PolarHBondContact O-N 3.08Å; Q179-L183 HydrophobicContact CG-CD1 4.17Å; Q179-L183 HydrophobicContact CG-CG 4.49Å; Q179-L183 WeakPolarHBondContact O-CG 3.41Å; Q179-L183 PolarHBondContact O-N 3.04Å
180N86.4Confident86.3Confident12 Ų1275 Ų756%0.06437%0.373CS..Hα-helixtrans-58.4-42.9177.7-165.913.3000113.1V168 N172 V174 H176 Q177 Q178 Q182 L183 H184V168-N180 WeakPolarHBondContact CG1-OD1 3.44Å; N172-N180 PolarHBondContact OD1-ND2 3.24Å; V174-N180 HydrophobicContact CB-CB 3.8Å; V174-N180 HydrophobicContact CG1-CB 3.95Å; V174-N180 HydrophobicContact CG2-CB 4.49Å; H176-N180 PolarHBondContact O-N 3.4Å; Q177-N180 PolarHBondContact O-N 2.76Å; Q178-N180 VanDerWaalsContact C-N 3.34Å; N180-Q182 VanDerWaalsContact C-N 3.29Å; N180-Q182 PolarHBondContact O-N 3.38Å; N180-L183 PolarHBondContact O-N 2.79Å; N180-H184 WeakPolarHBondContact O-CB 3.44Å; N180-H184 PolarHBondContact O-N 3Å
181K85.8Confident86.8Confident147 Ų14770.9 Ų70.964%0.63935%0.352SS*.Hα-helixtrans-61.5-38.1174.6-76.3179.3179-174.20112.7Q177 Q178 Q179 S185Q177-K181 WeakPolarHBondContact O-CG 3.46Å; Q177-K181 PolarHBondContact O-N 3.33Å; Q178-K181 PolarHBondContact O-N 3.41Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.94Å; K181-S185 WeakPolarHBondContact O-CB 3.33Å; K181-S185 PolarHBondContact O-N 2.9Å
182Q91.7Very high87.4Confident57 Ų5767.1 Ų67.127%0.26634%0.336SS..Hα-helixtrans-69.4-44.3178.2-68.5169.2-12.200111Q178 Q179 N180 H184 S185 A186Q178-Q182 WeakPolarHBondContact O-CG 3.45Å; Q178-Q182 PolarHBondContact O-N 3.22Å; Q179-Q182 WeakPolarHBondContact O-CB 3.48Å; Q179-Q182 PolarHBondContact O-N 3.08Å; N180-Q182 VanDerWaalsContact C-N 3.29Å; N180-Q182 PolarHBondContact O-N 3.38Å; Q182-H184 PolarHBondContact O-N 2.69Å; Q182-S185 PolarHBondContact O-N 3.18Å; Q182-A186 WeakPolarHBondContact O-CB 3.18Å; Q182-A186 PolarHBondContact O-N 2.99Å
183L93.1Very high88.1Confident0 Ų064.9 Ų64.90%033%0.325CS..Hα-helixtrans-58-47.2172.9-68.5170000111.2K129 W132 V168 V174 Q179 N180 S185 A186 L187K129-L183 HydrophobicContact CB-CD1 4.43Å; K129-L183 HydrophobicContact CG-CD1 4.41Å; W132-L183 HydrophobicContact CD2-CD2 4.46Å; W132-L183 HydrophobicContact CE3-CD2 3.5Å; W132-L183 HydrophobicContact CZ3-CD2 4.13Å; W132-L183 WeakPolarHBondContact O-CD2 3.38Å; V168-L183 HydrophobicContact CG1-CB 3.79Å; V168-L183 HydrophobicContact CG2-CB 3.91Å; V168-L183 HydrophobicContact CG2-CD1 3.86Å; V168-L183 HydrophobicContact CG2-CG 4.44Å; V174-L183 HydrophobicContact CG1-CD1 4.27Å; V174-L183 HydrophobicContact CG2-CD1 4.1Å; Q179-L183 HydrophobicContact CG-CD1 4.17Å; Q179-L183 HydrophobicContact CG-CG 4.49Å; Q179-L183 WeakPolarHBondContact O-CG 3.41Å; Q179-L183 PolarHBondContact O-N 3.04Å; N180-L183 PolarHBondContact O-N 2.79Å; L183-S185 PolarHBondContact O-N 3.42Å; L183-A186 PolarHBondContact O-N 2.92Å; L183-A186 VanDerWaalsContact O-N 3.15Å; L183-L187 WeakPolarHBondContact O-CG 3.18Å; L183-L187 PolarHBondContact O-N 3.16Å
184H90.6Very high88.9Confident69 Ų6962.1 Ų62.132%0.31931%0.306SS..Hα-helixtrans-61.5-43.5178.5-164.889.2000112V168 N180 Q182 A186 L187 M188V168-H184 HydrophobicContact CG1-CB 4.1Å; N180-H184 WeakPolarHBondContact O-CB 3.44Å; N180-H184 PolarHBondContact O-N 3Å; Q182-H184 PolarHBondContact O-N 2.69Å; H184-A186 VanDerWaalsContact C-N 3.31Å; H184-A186 PolarHBondContact O-N 3.41Å; H184-L187 PolarHBondContact O-N 3.01Å; H184-M188 WeakPolarHBondContact O-CB 3.35Å; H184-M188 WeakPolarHBondContact O-CG 3.46Å; H184-M188 PolarHBondContact O-N 3.45Å
185S92.4Very high89.6Confident82 Ų8261.3 Ų61.357%0.57330%0.301SS*.Hα-helixtrans-63-37.7175.1-172.40000112.2K181 Q182 L183 H189K181-S185 WeakPolarHBondContact O-CB 3.33Å; K181-S185 PolarHBondContact O-N 2.9Å; Q182-S185 PolarHBondContact O-N 3.18Å; L183-S185 PolarHBondContact O-N 3.42Å; S185-H189 PolarHBondContact O-N 3.35Å; S185-H189 VanDerWaalsContact O-N 3.08Å
186A94.4Very high90.6Very high13 Ų1357.1 Ų57.111%0.10728%0.283CS..Hα-helixtrans-70.6-43.617800000111.5W132 P133 Q182 L183 H184 M188 H189 Y190W132-A186 HydrophobicContact CE3-CB 4.32Å; W132-A186 HydrophobicContact CH2-CB 3.3Å; W132-A186 HydrophobicContact CZ2-CB 3.57Å; W132-A186 HydrophobicContact CZ3-CB 3.71Å; P133-A186 HydrophobicContact CB-CB 4.13Å; P133-A186 HydrophobicContact CG-CB 4.14Å; Q182-A186 WeakPolarHBondContact O-CB 3.18Å; Q182-A186 PolarHBondContact O-N 2.99Å; L183-A186 PolarHBondContact O-N 2.92Å; L183-A186 VanDerWaalsContact O-N 3.15Å; H184-A186 VanDerWaalsContact C-N 3.31Å; H184-A186 PolarHBondContact O-N 3.41Å; A186-M188 VanDerWaalsContact C-N 3.29Å; A186-M188 PolarHBondContact O-N 2.98Å; A186-H189 VanDerWaalsContact O-CB 3.32Å; A186-H189 WeakPolarHBondContact O-CB 3.48Å; A186-H189 PolarHBondContact O-N 3.35Å; A186-Y190 WeakPolarHBondContact O-CD2 3.35Å; A186-Y190 PolarHBondContact O-N 3.42Å; A186-Y190 VanDerWaalsContact O-N 3.08Å
187L95.4Very high91.3Very high3 Ų352.6 Ų52.62%0.01626%0.263CS..Hα-helixtrans-59.3-40.4173.2-71.5175.4000111.9W132 L164 V165 V168 V169 L183 H184 H189 Y190 A191 L194 W236W132-L187 HydrophobicContact CH2-CD2 4.12Å; W132-L187 HydrophobicContact CH2-CG 4.33Å; W132-L187 HydrophobicContact CZ3-CD2 4.07Å; W132-L187 HydrophobicContact CZ3-CG 4.12Å; L164-L187 HydrophobicContact CD2-CD2 4.05Å; L164-L187 HydrophobicContact CG-CD2 4.36Å; V165-L187 HydrophobicContact CG2-CD1 4.38Å; V165-L187 HydrophobicContact CG2-CD2 4.19Å; V168-L187 HydrophobicContact CB-CD1 3.77Å; V168-L187 HydrophobicContact CG1-CD1 3.66Å; V168-L187 HydrophobicContact CG2-CD1 4.3Å; V169-L187 HydrophobicContact CG2-CD1 3.79Å; L183-L187 WeakPolarHBondContact O-CG 3.18Å; L183-L187 PolarHBondContact O-N 3.16Å; H184-L187 PolarHBondContact O-N 3.01Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.27Å; L187-Y190 CarbonylContact O-C 3.57Å; L187-Y190 PolarHBondContact O-N 3.05Å; L187-A191 PolarHBondContact O-N 3.02Å; L187-L194 HydrophobicContact CD2-CD1 3.99Å; L187-W236 HydrophobicContact CB-CH2 4.29Å
188M93.3Very high92.4Very high70 Ų7048.1 Ų48.135%0.34524%0.242SC..Hα-helixtrans-62.9-37.1173.7-80.7-69.9-173.700112.7H184 A186 Y190 A191 W236H184-M188 WeakPolarHBondContact O-CB 3.35Å; H184-M188 WeakPolarHBondContact O-CG 3.46Å; H184-M188 PolarHBondContact O-N 3.45Å; A186-M188 VanDerWaalsContact C-N 3.29Å; A186-M188 PolarHBondContact O-N 2.98Å; M188-Y190 VanDerWaalsContact C-N 3.34Å; M188-A191 VanDerWaalsContact O-CB 3.31Å; M188-A191 WeakPolarHBondContact O-CB 3.48Å; M188-A191 PolarHBondContact O-N 2.87Å; M188-W236 HydrophobicContact CE-CE3 3.57Å; M188-W236 HydrophobicContact CE-CZ3 3.89Å; M188-W236 HydrophobicContact CG-CZ3 4.31Å; M188-W236 HydrophobicContact SD-CE3 3.92Å; M188-W236 HydrophobicContact SD-CZ3 3.63Å
189H94Very high93Very high144 Ų14441.6 Ų41.667%0.66721%0.212SC*.Hα-helixtrans-62.8-41.4175-176.270.8000111.8S185 A186 L187S185-H189 PolarHBondContact O-N 3.35Å; S185-H189 VanDerWaalsContact O-N 3.08Å; A186-H189 VanDerWaalsContact O-CB 3.32Å; A186-H189 WeakPolarHBondContact O-CB 3.48Å; A186-H189 PolarHBondContact O-N 3.35Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.27Å
190Y94.8Very high93.3Very high70 Ų7044.3 Ų44.328%0.27523%0.228SC..THydrogen-bonded Turntrans-90.612.5178.9-69.3-78.1000114.4W132 M140 A186 L187 M188 S192 T193 L194W132-Y190 HydrophobicContact CH2-CD2 4.39Å; W132-Y190 AromaticContact CZ2-CD2 3.9Å; W132-Y190 HydrophobicContact CZ2-CD2 3.9Å; W132-Y190 AromaticContact CZ2-CE2 3.99Å; W132-Y190 HydrophobicContact CZ2-CE2 3.99Å; M140-Y190 HydrophobicContact CB-CD1 4.42Å; M140-Y190 HydrophobicContact CB-CE1 3.98Å; M140-Y190 HydrophobicContact CE-CD1 4.28Å; M140-Y190 HydrophobicContact CE-CG 4.33Å; M140-Y190 HydrophobicContact CG-CD1 3.98Å; M140-Y190 HydrophobicContact CG-CD2 3.9Å; M140-Y190 HydrophobicContact CG-CE1 3.85Å; M140-Y190 HydrophobicContact CG-CE2 3.78Å; M140-Y190 HydrophobicContact CG-CG 4.01Å; A186-Y190 WeakPolarHBondContact O-CD2 3.35Å; A186-Y190 PolarHBondContact O-N 3.42Å; A186-Y190 VanDerWaalsContact O-N 3.08Å; L187-Y190 CarbonylContact O-C 3.57Å; L187-Y190 PolarHBondContact O-N 3.05Å; M188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-S192 PolarHBondContact O-N 2.95Å; Y190-S192 VanDerWaalsContact O-N 3.12Å; Y190-T193 WeakPolarHBondContact O-CB 3.48Å; Y190-T193 PolarHBondContact O-N 3.49Å; Y190-L194 WeakPolarHBondContact O-CG 3.45Å; Y190-L194 PolarHBondContact O-N 3.39Å
191A94Very high93.6Very high1 Ų144 Ų441%0.00823%0.226CC..Hα-helixtrans-55.4-35.6-176.700000113.4L187 M188 V195 V237 L241L187-A191 PolarHBondContact O-N 3.02Å; M188-A191 VanDerWaalsContact O-CB 3.31Å; M188-A191 WeakPolarHBondContact O-CB 3.48Å; M188-A191 PolarHBondContact O-N 2.87Å; A191-V195 WeakPolarHBondContact O-CG2 3.26Å; A191-V195 PolarHBondContact O-N 3.44Å; A191-V237 HydrophobicContact CB-CG1 4.26Å; A191-V237 HydrophobicContact CB-CG2 4.16Å; A191-L241 HydrophobicContact CB-CD1 4.23Å
192S93.7Very high93.8Very high37 Ų3737 Ų3726%0.25920%0.196SC..Hα-helixtrans-61.9-49.6173.8-74.10000111.9Y190 L194 V195 D196 R245Y190-S192 PolarHBondContact O-N 2.95Å; Y190-S192 VanDerWaalsContact O-N 3.12Å; S192-L194 VanDerWaalsContact C-N 3.35Å; S192-L194 PolarHBondContact O-N 3.32Å; S192-V195 PolarHBondContact O-N 2.65Å; S192-V195 VanDerWaalsContact O-N 3.16Å; S192-D196 WeakPolarHBondContact O-CB 3.41Å; S192-D196 VanDerWaalsContact O-CG 3.29Å; S192-D196 PolarHBondContact O-N 3.46Å; S192-R245 VanDerWaalsContact CB-NH2 3.26Å; S192-R245 PolarHBondContact OG-NH2 3.1Å
193T94.6Very high93.7Very high48 Ų4836.9 Ų36.929%0.29420%0.204SC..Hα-helixtrans-63.5-40.7-179.8-51.10000111.7M140 Y190 V195 D196 L197M140-T193 HydrophobicContact CE-CG2 4.32Å; Y190-T193 WeakPolarHBondContact O-CB 3.48Å; Y190-T193 PolarHBondContact O-N 3.49Å; T193-V195 PolarHBondContact O-N 3.21Å; T193-D196 PolarHBondContact O-N 3.46Å; T193-L197 VanDerWaalsContact O-CB 3.28Å; T193-L197 WeakPolarHBondContact O-CB 3.37Å; T193-L197 PolarHBondContact O-N 3.39Å
194L96Very high93.3Very high2 Ų241.8 Ų41.81%0.0123%0.228CC..Hα-helixtrans-63-25.7177.1-67.2174.1000113L161 V165 L187 Y190 S192 P198 V233 W236L161-L194 HydrophobicContact CB-CD2 4.29Å; L161-L194 HydrophobicContact CD1-CD2 4.1Å; L161-L194 HydrophobicContact CD2-CD2 4.12Å; L161-L194 HydrophobicContact CG-CD2 4.4Å; V165-L194 HydrophobicContact CG2-CD1 4.31Å; L187-L194 HydrophobicContact CD2-CD1 3.99Å; Y190-L194 WeakPolarHBondContact O-CG 3.45Å; Y190-L194 PolarHBondContact O-N 3.39Å; S192-L194 VanDerWaalsContact C-N 3.35Å; S192-L194 PolarHBondContact O-N 3.32Å; L194-P198 WeakPolarHBondContact O-CD 3.45Å; L194-P198 WeakPolarHBondContact O-CG 3.36Å; L194-V233 HydrophobicContact CB-CG1 4.15Å; L194-W236 HydrophobicContact CD1-CH2 4.18Å; L194-W236 HydrophobicContact CD1-CZ2 4.44Å
195V96.1Very high92.8Very high0 Ų040 Ų400%022%0.223CC..Hα-helixtrans-87.1-43.4173.1173.50000111.3A191 S192 T193 P198 L199 L230 V233 V237 L242 I249A191-V195 WeakPolarHBondContact O-CG2 3.26Å; A191-V195 PolarHBondContact O-N 3.44Å; S192-V195 PolarHBondContact O-N 2.65Å; S192-V195 VanDerWaalsContact O-N 3.16Å; T193-V195 PolarHBondContact O-N 3.21Å; V195-P198 WeakPolarHBondContact O-CD 3.29Å; V195-P198 WeakPolarHBondContact O-CG 3.21Å; V195-L199 HydrophobicContact CG1-CD1 3.88Å; V195-L199 WeakPolarHBondContact O-CD1 3.35Å; V195-L199 VanDerWaalsContact O-CG 3.22Å; V195-L199 WeakPolarHBondContact O-CG 3.36Å; V195-L230 HydrophobicContact CG1-CD1 4.36Å; V195-V233 HydrophobicContact CG2-CG2 3.95Å; V195-V237 HydrophobicContact CG2-CG1 4.49Å; V195-V237 HydrophobicContact CG2-CG2 4.45Å; V195-L242 HydrophobicContact CG2-CD2 4.05Å; V195-I249 HydrophobicContact CG1-CD1 3.51Å
196D95.2Very high92Very high42 Ų4241.9 Ų41.923%0.22522%0.223CC..Hα-helixtrans-71.7-35.8-174-70.2-35.8000112.4S192 T193 L199 N200 R245S192-D196 WeakPolarHBondContact O-CB 3.41Å; S192-D196 VanDerWaalsContact O-CG 3.29Å; S192-D196 PolarHBondContact O-N 3.46Å; T193-D196 PolarHBondContact O-N 3.46Å; D196-L199 PolarHBondContact O-N 3.34Å; D196-N200 WeakPolarHBondContact O-CB 3.42Å; D196-N200 PolarHBondContact O-N 3.31Å; D196-N200 PolarHBondContact O-ND2 3.13Å; D196-R245 VanDerWaalsContact CG-NE 3.28Å; D196-R245 WeakPolarHBondContact OD1-CD 3.44Å; D196-R245 IonicContact OD1-CZ 3.83Å; D196-R245 IonicContact OD1-NE 2.81Å; D196-R245 PolarHBondContact OD1-NE 2.97Å; D196-R245 IonicContact OD1-NH2 3.97Å; D196-R245 IonicContact OD2-CZ 3.39Å; D196-R245 IonicContact OD2-NE 3.06Å; D196-R245 PolarHBondContact OD2-NE 3.15Å; D196-R245 IonicContact OD2-NH2 2.82Å; D196-R245 PolarHBondContact OD2-NH2 3.25Å
197L95.1Very high90.8Very high35 Ų3545.2 Ų45.218%0.18325%0.246CC..Hα-helixtrans-56.3-57.4178.4176.764.5000113V157 L158 L161 T193 L199 N200 V201V157-L197 HydrophobicContact CG1-CD2 4.33Å; L158-L197 HydrophobicContact CD2-CD2 4.16Å; L158-L197 HydrophobicContact CD2-CG 4.3Å; L161-L197 HydrophobicContact CD1-CD2 3.63Å; T193-L197 VanDerWaalsContact O-CB 3.28Å; T193-L197 WeakPolarHBondContact O-CB 3.37Å; T193-L197 PolarHBondContact O-N 3.39Å; L197-L199 VanDerWaalsContact C-N 3.29Å; L197-L199 PolarHBondContact O-N 3.4Å; L197-N200 PolarHBondContact O-N 3.17Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 2.98Å; L197-V201 VanDerWaalsContact O-N 3.08Å
198P95.2Very high89.3Confident1 Ų151.6 Ų51.61%0.00627%0.274CS..Hα-helixtrans-64.2-33.6-179.824.9-34.8000112.7L194 V195 V201 V202 A226 L229 L230L194-P198 WeakPolarHBondContact O-CD 3.45Å; L194-P198 WeakPolarHBondContact O-CG 3.36Å; V195-P198 WeakPolarHBondContact O-CD 3.29Å; V195-P198 WeakPolarHBondContact O-CG 3.21Å; P198-V201 PolarHBondContact O-N 3.49Å; P198-V202 WeakPolarHBondContact O-CG2 3.33Å; P198-V202 PolarHBondContact O-N 3.21Å; P198-A226 HydrophobicContact CB-CB 3.81Å; P198-A226 WeakPolarHBondContact CB-O 3.46Å; P198-L229 HydrophobicContact CG-CD2 4.46Å; P198-L230 HydrophobicContact CB-CB 4.17Å; P198-L230 HydrophobicContact CG-CB 4.03Å; P198-L230 HydrophobicContact CG-CD1 4.15Å
199L94.6Very high87.6Confident10 Ų1053.5 Ų53.55%0.05229%0.291CS..Hα-helixtrans-64.6-40.5175.5-64.5172.1000112.1V195 D196 L197 V201 V202 A203 L230 K248 I249 A252V195-L199 HydrophobicContact CG1-CD1 3.88Å; V195-L199 WeakPolarHBondContact O-CD1 3.35Å; V195-L199 VanDerWaalsContact O-CG 3.22Å; V195-L199 WeakPolarHBondContact O-CG 3.36Å; D196-L199 PolarHBondContact O-N 3.34Å; L197-L199 VanDerWaalsContact C-N 3.29Å; L197-L199 PolarHBondContact O-N 3.4Å; L199-V201 VanDerWaalsContact C-N 3.34Å; L199-V202 PolarHBondContact O-N 3.15Å; L199-A203 WeakPolarHBondContact O-CB 2.87Å; L199-A203 PolarHBondContact O-N 2.76Å; L199-L230 HydrophobicContact CD2-CD2 4.04Å; L199-K248 HydrophobicContact CD1-CB 4.5Å; L199-I249 HydrophobicContact CD1-CD1 4.07Å; L199-I249 HydrophobicContact CD1-CG1 3.71Å; L199-I249 HydrophobicContact CD2-CB 4.37Å; L199-I249 HydrophobicContact CD2-CG1 4.03Å; L199-I249 HydrophobicContact CG-CG1 4.46Å; L199-A252 HydrophobicContact CD2-CB 3.94Å
200N92.8Very high86.1Confident88 Ų8847.8 Ų47.847%0.47127%0.267SS..Hα-helixtrans-65.4-39176.4-69-24.7000111.2D196 L197 A203 M204D196-N200 WeakPolarHBondContact O-CB 3.42Å; D196-N200 PolarHBondContact O-N 3.31Å; D196-N200 PolarHBondContact O-ND2 3.13Å; L197-N200 PolarHBondContact O-N 3.17Å; N200-A203 PolarHBondContact O-N 2.61Å; N200-M204 WeakPolarHBondContact O-CB 3.13Å; N200-M204 VanDerWaalsContact O-CG 3.28Å; N200-M204 WeakPolarHBondContact O-CG 3.29Å; N200-M204 PolarHBondContact O-N 3.44Å
201V92.1Very high84.5Confident5 Ų551.5 Ų51.53%0.0329%0.292CS..Hα-helixtrans-60.5-48.3174.7172.20000111T154 L158 L197 P198 L199 A203 M204 S205 L222 A226T154-V201 HydrophobicContact CG2-CG2 3.89Å; L158-V201 HydrophobicContact CD1-CG2 4.5Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 2.98Å; L197-V201 VanDerWaalsContact O-N 3.08Å; P198-V201 PolarHBondContact O-N 3.49Å; L199-V201 VanDerWaalsContact C-N 3.34Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 PolarHBondContact O-N 2.76Å; V201-M204 HydrophobicContact CG2-CE 4.42Å; V201-M204 PolarHBondContact O-N 3.18Å; V201-S205 PolarHBondContact O-N 3.23Å; V201-L222 HydrophobicContact CG1-CD1 4.18Å; V201-L222 HydrophobicContact CG1-CD2 3.98Å; V201-L222 HydrophobicContact CG1-CG 3.65Å; V201-A226 HydrophobicContact CB-CB 4.04Å; V201-A226 HydrophobicContact CG1-CB 3.87Å
202V91.3Very high83.6Confident1 Ų154.7 Ų54.71%0.00631%0.311CS..Hα-helixtrans-63-40.5176.9175.60000111.3P198 L199 S205 A226 L227 A252P198-V202 WeakPolarHBondContact O-CG2 3.33Å; P198-V202 PolarHBondContact O-N 3.21Å; L199-V202 PolarHBondContact O-N 3.15Å; V202-S205 PolarHBondContact O-N 2.93Å; V202-S205 PolarHBondContact O-OG 2.93Å; V202-A226 HydrophobicContact CG2-CB 4.47Å; V202-L227 HydrophobicContact CG2-CD2 4.24Å; V202-A252 HydrophobicContact CG1-CB 4Å
203A88.6Confident82.7Confident53 Ų5358.7 Ų58.744%0.43833%0.326SS..Hα-helixtrans-65.1-43.9176.900000112.4L199 N200 V201 S205 Q206L199-A203 WeakPolarHBondContact O-CB 2.87Å; L199-A203 PolarHBondContact O-N 2.76Å; N200-A203 PolarHBondContact O-N 2.61Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 PolarHBondContact O-N 2.76Å; A203-S205 VanDerWaalsContact C-N 3.28Å; A203-S205 PolarHBondContact O-N 3.18Å; A203-Q206 WeakPolarHBondContact O-CB 3.18Å; A203-Q206 PolarHBondContact O-N 3.17Å
204M85.1Confident81.6Confident103 Ų10360.1 Ų60.151%0.50733%0.331SS..Hα-helixtrans-62.7-35.7177.7-75-171.8-63.400112N200 V201 Q206 S207 F208N200-M204 WeakPolarHBondContact O-CB 3.13Å; N200-M204 VanDerWaalsContact O-CG 3.28Å; N200-M204 WeakPolarHBondContact O-CG 3.29Å; N200-M204 PolarHBondContact O-N 3.44Å; V201-M204 HydrophobicContact CG2-CE 4.42Å; V201-M204 PolarHBondContact O-N 3.18Å; M204-Q206 PolarHBondContact O-N 3.14Å; M204-Q206 VanDerWaalsContact O-N 3.08Å; M204-S207 PolarHBondContact O-N 3.23Å; M204-S207 PolarHBondContact O-OG 3.45Å; M204-F208 WeakPolarHBondContact O-CD2 3.29Å
205S81.4Confident80.6Confident31 Ų3164.4 Ų64.422%0.21735%0.351CS..Hα-helixtrans-56.4-26.4177.678.60000113.8V201 V202 A203 S207 C223V201-S205 PolarHBondContact O-N 3.23Å; V202-S205 PolarHBondContact O-N 2.93Å; V202-S205 PolarHBondContact O-OG 2.93Å; A203-S205 VanDerWaalsContact C-N 3.28Å; A203-S205 PolarHBondContact O-N 3.18Å; S205-S207 VanDerWaalsContact C-N 3.32Å; S205-C223 WeakPolarHBondContact CB-SG 3.32Å; S205-C223 PolarHBondContact OG-SG 2.74Å
206Q74.3Confident79.6Confident123 Ų12369.8 Ų69.858%0.57538%0.375SS*.THydrogen-bonded Turntrans-74.4-23.7178-58.717417.700113A203 M204 L255A203-Q206 WeakPolarHBondContact O-CB 3.18Å; A203-Q206 PolarHBondContact O-N 3.17Å; M204-Q206 PolarHBondContact O-N 3.14Å; M204-Q206 VanDerWaalsContact O-N 3.08Å; Q206-L255 HydrophobicContact CG-CD2 3.89Å
207S69.7Low78.8Confident83 Ų8373 Ų7358%0.5839%0.388SS*.THydrogen-bonded Turntrans-88.8-9.6-174.966.50000114M204 S205 P209M204-S207 PolarHBondContact O-N 3.23Å; M204-S207 PolarHBondContact O-OG 3.45Å; S205-S207 VanDerWaalsContact C-N 3.32Å; S207-P209 WeakPolarHBondContact O-CD 3.27Å
208F64.1Low78.1Confident136 Ų13673.1 Ų73.160%0.59639%0.389SS*.SBendtrans-99.1100.8175.9-75.4-82.2000110.3M204 S210M204-F208 WeakPolarHBondContact O-CD2 3.29Å; F208-S210 PolarHBondContact O-N 3.4Å; F208-S210 PolarHBondContact O-OG 3.21Å
209P56.4Low77.6Confident110 Ų11074.9 Ų74.971%0.71440%0.4SS*.  trans-64.2105167.825.9-30.3000108S207 D211S207-P209 WeakPolarHBondContact O-CD 3.27Å; P209-D211 PolarHBondContact O-N 2.74Å
210S63.9Low77.1Confident24 Ų2475.4 Ų75.417%0.16840%0.404CS..  trans-82.5103.7177.7-55.70000108.2F208 K216F208-S210 PolarHBondContact O-N 3.4Å; F208-S210 PolarHBondContact O-OG 3.21Å; S210-K216 VanDerWaalsContact CB-CG 3.46Å; S210-K216 WeakPolarHBondContact O-CE 3.41Å
211D60.8Low76.8Confident149 Ų14974.5 Ų74.580%0.79739%0.394SS*.  trans-79.5-23.8-178-76.3-25.1000111.6P209 E215P209-D211 PolarHBondContact O-N 2.74Å; D211-E215 PolarHBondContact N-OE2 3.46Å
212T74.9Confident76.7Confident67 Ų6775.2 Ų75.241%0.41140%0.398SS..SBendtrans-104.3150.8178.568.80000112.8I214 E215 K216T212-I214 VanDerWaalsContact C-N 3.25Å; T212-I214 PolarHBondContact O-N 2.83Å; T212-E215 PolarHBondContact N-OE2 2.96Å; T212-E215 PolarHBondContact O-N 3.09Å; T212-E215 WeakPolarHBondContact OG1-CB 3.41Å; T212-E215 WeakPolarHBondContact OG1-CG 3.4Å; T212-E215 PolarHBondContact OG1-N 2.83Å; T212-E215 PolarHBondContact OG1-OE2 3.45Å; T212-K216 PolarHBondContact O-N 3.37Å
213Q74.5Confident76.8Confident122 Ų12275.2 Ų75.257%0.5740%0.398SS*.Hα-helixtrans-60.7-36.6175.5-17664.214.500111.9K216 E217Q213-K216 WeakPolarHBondContact O-CB 3.38Å; Q213-K216 PolarHBondContact O-N 3.27Å; Q213-E217 PolarHBondContact NE2-OE1 3.21Å; Q213-E217 WeakPolarHBondContact O-CG 3.44Å; Q213-E217 PolarHBondContact O-N 2.9Å
214I71.9Confident76.9Confident78 Ų7873.7 Ų73.740%0.438%0.384SS..Hα-helixtrans-66.1-41.7-180-60.9173.5000111T212 E217 N218T212-I214 VanDerWaalsContact C-N 3.25Å; T212-I214 PolarHBondContact O-N 2.83Å; I214-E217 PolarHBondContact O-N 3.48Å; I214-N218 WeakPolarHBondContact O-CB 3.21Å; I214-N218 VanDerWaalsContact O-CG 3.28Å; I214-N218 PolarHBondContact O-N 2.88Å; I214-N218 PolarHBondContact O-ND2 3.13Å
215E74.5Confident77.3Confident92 Ų9269 Ų6943%0.4336%0.362SS..Hα-helixtrans-64-41.7175-74.3163.2159.600111.5D211 T212 E217 N218 V219D211-E215 PolarHBondContact N-OE2 3.46Å; T212-E215 PolarHBondContact N-OE2 2.96Å; T212-E215 PolarHBondContact O-N 3.09Å; T212-E215 WeakPolarHBondContact OG1-CB 3.41Å; T212-E215 WeakPolarHBondContact OG1-CG 3.4Å; T212-E215 PolarHBondContact OG1-N 2.83Å; T212-E215 PolarHBondContact OG1-OE2 3.45Å; E215-E217 VanDerWaalsContact C-N 3.33Å; E215-E217 PolarHBondContact O-N 3.48Å; E215-N218 PolarHBondContact O-N 2.93Å; E215-V219 WeakPolarHBondContact O-CB 3.35Å; E215-V219 VanDerWaalsContact O-CG2 3.28Å; E215-V219 WeakPolarHBondContact O-CG2 3.23Å; E215-V219 PolarHBondContact O-N 3.09Å
216K75.7Confident78Confident113 Ų11367.5 Ų67.549%0.49135%0.351SS..Hα-helixtrans-60.2-42.9175.5-69.9179-175177.30112.1S210 T212 Q213 V219 S220S210-K216 VanDerWaalsContact CB-CG 3.46Å; S210-K216 WeakPolarHBondContact O-CE 3.41Å; T212-K216 PolarHBondContact O-N 3.37Å; Q213-K216 WeakPolarHBondContact O-CB 3.38Å; Q213-K216 PolarHBondContact O-N 3.27Å; K216-V219 PolarHBondContact O-N 2.87Å; K216-S220 WeakPolarHBondContact O-CB 3.42Å; K216-S220 PolarHBondContact O-N 3.5Å
217E78.2Confident79Confident109 Ų10961.7 Ų61.751%0.50932%0.324SS..Hα-helixtrans-65.8-42.8177.3-74.3172.8-166.800111.9Q213 I214 E215 S220 R221Q213-E217 PolarHBondContact NE2-OE1 3.21Å; Q213-E217 WeakPolarHBondContact O-CG 3.44Å; Q213-E217 PolarHBondContact O-N 2.9Å; I214-E217 PolarHBondContact O-N 3.48Å; E215-E217 VanDerWaalsContact C-N 3.33Å; E215-E217 PolarHBondContact O-N 3.48Å; E217-S220 PolarHBondContact O-N 3.21Å; E217-R221 WeakPolarHBondContact O-CB 3.32Å; E217-R221 PolarHBondContact O-N 3.4Å
218N79.8Confident80.3Confident38 Ų3861.1 Ų61.120%0.20331%0.312CS..Hα-helixtrans-62.5-43.6175.9-74.8-30.9000112I214 E215 R221 L222I214-N218 WeakPolarHBondContact O-CB 3.21Å; I214-N218 VanDerWaalsContact O-CG 3.28Å; I214-N218 PolarHBondContact O-N 2.88Å; I214-N218 PolarHBondContact O-ND2 3.13Å; E215-N218 PolarHBondContact O-N 2.93Å; N218-R221 PolarHBondContact O-N 3.37Å; N218-R221 PolarHBondContact OD1-NH1 3.35Å; N218-R221 PolarHBondContact OD1-NH2 3.15Å; N218-L222 WeakPolarHBondContact O-CB 3.36Å; N218-L222 PolarHBondContact O-N 2.76Å
219V84Confident81.8Confident37 Ų3754.6 Ų54.622%0.22428%0.284CS..Hα-helixtrans-65.1-44.2176.1172.10000110.9E215 K216 R221 L222 C223E215-V219 WeakPolarHBondContact O-CB 3.35Å; E215-V219 VanDerWaalsContact O-CG2 3.28Å; E215-V219 WeakPolarHBondContact O-CG2 3.23Å; E215-V219 PolarHBondContact O-N 3.09Å; K216-V219 PolarHBondContact O-N 2.87Å; V219-R221 VanDerWaalsContact C-N 3.29Å; V219-R221 PolarHBondContact O-N 3.37Å; V219-L222 PolarHBondContact O-N 3.27Å; V219-C223 WeakPolarHBondContact O-CB 3.36Å; V219-C223 PolarHBondContact O-N 3.08Å; V219-C223 PolarHBondContact O-SG 2.67Å; V219-C223 VanDerWaalsContact O-SG 3.41Å
220S86.1Confident83.8Confident21 Ų2149.4 Ų49.415%0.14725%0.25CC..Hα-helixtrans-60.6-39176.4-173.60000111.9K216 E217 S224 S261K216-S220 WeakPolarHBondContact O-CB 3.42Å; K216-S220 PolarHBondContact O-N 3.5Å; E217-S220 PolarHBondContact O-N 3.21Å; S220-S224 WeakPolarHBondContact O-CB 3.47Å; S220-S224 PolarHBondContact O-N 3.42Å; S220-S224 PolarHBondContact O-OG 3.41Å; S220-S261 PolarHBondContact OG-OG 3.06Å
221R85.5Confident85.2Confident69 Ų6948.3 Ų48.326%0.2624%0.242SC..Hα-helixtrans-66.4-47.2177.5-170.3178.864.3-117.1-8.3111.4E155 E217 N218 V219 C223 S224 A225E155-R221 WeakPolarHBondContact OE1-CD 3.39Å; E155-R221 VanDerWaalsContact OE1-CG 3.25Å; E155-R221 WeakPolarHBondContact OE1-CG 3.47Å; E155-R221 IonicContact OE1-CZ 2.6Å; E155-R221 IonicContact OE1-NE 3.98Å; E155-R221 PolarHBondContact OE1-NE 3.47Å; E155-R221 IonicContact OE2-CZ 3.55Å; E155-R221 IonicContact OE2-NE 3.91Å; E155-R221 PolarHBondContact OE2-NE 2.95Å; E155-R221 IonicContact OE2-NH2 3.74Å; E155-R221 PolarHBondContact OE2-NH2 3.23Å; E217-R221 WeakPolarHBondContact O-CB 3.32Å; E217-R221 PolarHBondContact O-N 3.4Å; N218-R221 PolarHBondContact O-N 3.37Å; N218-R221 PolarHBondContact OD1-NH1 3.35Å; N218-R221 PolarHBondContact OD1-NH2 3.15Å; V219-R221 VanDerWaalsContact C-N 3.29Å; V219-R221 PolarHBondContact O-N 3.37Å; R221-C223 VanDerWaalsContact C-N 3.34Å; R221-C223 PolarHBondContact O-N 3.15Å; R221-S224 WeakPolarHBondContact O-CB 3.45Å; R221-S224 PolarHBondContact O-N 2.93Å; R221-S224 VanDerWaalsContact O-N 3.08Å; R221-A225 PolarHBondContact O-N 3.34Å
222L89.9Confident86.8Confident20 Ų2041.6 Ų41.611%0.10521%0.206CC..Hα-helixtrans-58.5-44.8175.5178.364.8000111.7T151 T154 E155 L158 V201 N218 V219 S224 A225 A226T151-L222 HydrophobicContact CG2-CD2 4.01Å; T154-L222 HydrophobicContact CG2-CD1 4.11Å; E155-L222 HydrophobicContact CB-CD1 3.82Å; E155-L222 HydrophobicContact CG-CD1 4.43Å; L158-L222 HydrophobicContact CD1-CD1 3.88Å; V201-L222 HydrophobicContact CG1-CD1 4.18Å; V201-L222 HydrophobicContact CG1-CD2 3.98Å; V201-L222 HydrophobicContact CG1-CG 3.65Å; N218-L222 WeakPolarHBondContact O-CB 3.36Å; N218-L222 PolarHBondContact O-N 2.76Å; V219-L222 PolarHBondContact O-N 3.27Å; L222-S224 VanDerWaalsContact C-N 3.31Å; L222-S224 PolarHBondContact O-N 2.9Å; L222-A225 PolarHBondContact O-N 3.26Å; L222-A226 PolarHBondContact O-N 2.82Å
223C92.7Very high87.8Confident2 Ų238.4 Ų38.41%0.01419%0.187CC..Hα-helixtrans-64.8-34.9175.2-71.40000112.4S205 V219 R221 A226 L227 L264S205-C223 WeakPolarHBondContact CB-SG 3.32Å; S205-C223 PolarHBondContact OG-SG 2.74Å; V219-C223 WeakPolarHBondContact O-CB 3.36Å; V219-C223 PolarHBondContact O-N 3.08Å; V219-C223 PolarHBondContact O-SG 2.67Å; V219-C223 VanDerWaalsContact O-SG 3.41Å; R221-C223 VanDerWaalsContact C-N 3.34Å; R221-C223 PolarHBondContact O-N 3.15Å; C223-A226 WeakPolarHBondContact O-CB 3.33Å; C223-A226 PolarHBondContact O-N 3.32Å; C223-L227 WeakPolarHBondContact O-CG 3.26Å; C223-L227 PolarHBondContact O-N 3.47Å; C223-L264 HydrophobicContact CB-CD1 3.59Å
224S92.2Very high88.7Confident21 Ų2132.6 Ų32.615%0.14716%0.16CC..Hα-helixtrans-64.9-45.3176.3-57.90000111.3S220 R221 L222 A226 L227 E228S220-S224 WeakPolarHBondContact O-CB 3.47Å; S220-S224 PolarHBondContact O-N 3.42Å; S220-S224 PolarHBondContact O-OG 3.41Å; R221-S224 WeakPolarHBondContact O-CB 3.45Å; R221-S224 PolarHBondContact O-N 2.93Å; R221-S224 VanDerWaalsContact O-N 3.08Å; L222-S224 VanDerWaalsContact C-N 3.31Å; L222-S224 PolarHBondContact O-N 2.9Å; S224-A226 VanDerWaalsContact C-N 3.27Å; S224-A226 PolarHBondContact O-N 3.04Å; S224-L227 PolarHBondContact O-N 2.99Å; S224-E228 WeakPolarHBondContact O-CB 3.37Å; S224-E228 PolarHBondContact O-N 3.15Å
225A93Very high89.4Confident4 Ų431.1 Ų31.13%0.03315%0.153CC..Hα-helixtrans-61.4-35.8173.900000112.1E155 L158 F159 R221 L222 E228 L229E155-A225 HydrophobicContact CG-CB 4.33Å; L158-A225 HydrophobicContact CB-CB 4.13Å; L158-A225 HydrophobicContact CD1-CB 4.13Å; F159-A225 HydrophobicContact CD1-CB 4.24Å; F159-A225 HydrophobicContact CE1-CB 3.68Å; F159-A225 HydrophobicContact CZ-CB 4.37Å; R221-A225 PolarHBondContact O-N 3.34Å; L222-A225 PolarHBondContact O-N 3.26Å; A225-E228 PolarHBondContact O-N 3.32Å; A225-L229 PolarHBondContact O-N 3.12Å
226A95.9Very high90Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-66.7-44.8175.400000111.7L158 P198 V201 V202 L222 C223 S224 E228 L229 L230L158-A226 HydrophobicContact CD1-CB 3.92Å; L158-A226 HydrophobicContact CD2-CB 4.42Å; P198-A226 HydrophobicContact CB-CB 3.81Å; P198-A226 WeakPolarHBondContact CB-O 3.46Å; V201-A226 HydrophobicContact CB-CB 4.04Å; V201-A226 HydrophobicContact CG1-CB 3.87Å; V202-A226 HydrophobicContact CG2-CB 4.47Å; L222-A226 PolarHBondContact O-N 2.82Å; C223-A226 WeakPolarHBondContact O-CB 3.33Å; C223-A226 PolarHBondContact O-N 3.32Å; S224-A226 VanDerWaalsContact C-N 3.27Å; S224-A226 PolarHBondContact O-N 3.04Å; A226-E228 VanDerWaalsContact C-N 3.33Å; A226-L229 PolarHBondContact O-N 3.03Å; A226-L230 WeakPolarHBondContact O-CB 3.42Å; A226-L230 PolarHBondContact O-N 3.37Å
227L96.2Very high90.8Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-68-32.6177.2-68.7-175000112.4V202 C223 S224 L230 G231 L253 C256 L264 M267 C271V202-L227 HydrophobicContact CG2-CD2 4.24Å; C223-L227 WeakPolarHBondContact O-CG 3.26Å; C223-L227 PolarHBondContact O-N 3.47Å; S224-L227 PolarHBondContact O-N 2.99Å; L227-L230 HydrophobicContact CD2-CD2 4.09Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-G231 PolarHBondContact O-N 3.32Å; L227-L253 HydrophobicContact CD2-CD2 3.58Å; L227-C256 HydrophobicContact CD1-CB 4.05Å; L227-L264 HydrophobicContact CD1-CD1 3.62Å; L227-L264 HydrophobicContact CD1-CG 4.43Å; L227-L264 HydrophobicContact CG-CD1 4.45Å; L227-M267 HydrophobicContact CB-CB 4.18Å; L227-M267 HydrophobicContact CB-CG 3.42Å; L227-M267 VanDerWaalsContact CB-CG 3.42Å; L227-M267 HydrophobicContact CD1-CB 4.1Å; L227-M267 HydrophobicContact CD1-CG 4.26Å; L227-C271 PolarHBondContact O-SG 3.35Å
228E95.7Very high91.4Very high71 Ų7121.1 Ų21.133%0.33211%0.111SC..Hα-helixtrans-60.7-50.9174.4-174.1174.3-173.300111.5S224 A225 A226 L230 G231 N232 M267S224-E228 WeakPolarHBondContact O-CB 3.37Å; S224-E228 PolarHBondContact O-N 3.15Å; A225-E228 PolarHBondContact O-N 3.32Å; A226-E228 VanDerWaalsContact C-N 3.33Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3Å; E228-G231 PolarHBondContact O-N 3.1Å; E228-N232 PolarHBondContact O-N 3.36Å; E228-M267 HydrophobicContact CB-CE 4.44Å
229L96.7Very high91.9Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-56.3-45.9171.7172.760.6000111L158 L161 V165 P198 A225 A226 G231 N232 V233L158-L229 HydrophobicContact CD2-CD2 3.7Å; L161-L229 HydrophobicContact CB-CD1 3.97Å; L161-L229 HydrophobicContact CB-CD2 4Å; L161-L229 HydrophobicContact CD1-CD2 4.24Å; V165-L229 HydrophobicContact CG2-CD1 4.44Å; P198-L229 HydrophobicContact CG-CD2 4.46Å; A225-L229 PolarHBondContact O-N 3.12Å; A226-L229 PolarHBondContact O-N 3.03Å; L229-G231 PolarHBondContact O-N 2.96Å; L229-N232 PolarHBondContact O-N 3.36Å; L229-V233 HydrophobicContact CD1-CG1 4.09Å; L229-V233 WeakPolarHBondContact O-CG1 3.41Å; L229-V233 PolarHBondContact O-N 3.37Å; L229-V233 VanDerWaalsContact O-N 3.15Å
230L96.7Very high92.1Very high1 Ų124.1 Ų24.11%0.00512%0.123CC..Hα-helixtrans-59.8-47.2-179.9-174.560.2000111.4V195 P198 L199 A226 L227 E228 N232 V233 L234 I249 L253V195-L230 HydrophobicContact CG1-CD1 4.36Å; P198-L230 HydrophobicContact CB-CB 4.17Å; P198-L230 HydrophobicContact CG-CB 4.03Å; P198-L230 HydrophobicContact CG-CD1 4.15Å; L199-L230 HydrophobicContact CD2-CD2 4.04Å; A226-L230 WeakPolarHBondContact O-CB 3.42Å; A226-L230 PolarHBondContact O-N 3.37Å; L227-L230 HydrophobicContact CD2-CD2 4.09Å; L227-L230 PolarHBondContact O-N 2.92Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.83Å; L230-V233 HydrophobicContact CD1-CG2 4.19Å; L230-V233 WeakPolarHBondContact O-CG2 3.43Å; L230-V233 PolarHBondContact O-N 3.44Å; L230-V233 VanDerWaalsContact O-N 3.14Å; L230-L234 HydrophobicContact CD1-CD1 4.26Å; L230-L234 HydrophobicContact CD1-CD2 4.18Å; L230-L234 HydrophobicContact CD1-CG 3.99Å; L230-L234 HydrophobicContact CD2-CD1 4.4Å; L230-L234 HydrophobicContact CG-CD1 3.79Å; L230-L234 HydrophobicContact CG-CG 4.03Å; L230-L234 WeakPolarHBondContact O-CB 3.43Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 3.25Å; L230-I249 HydrophobicContact CD1-CD1 4.35Å; L230-L253 HydrophobicContact CD2-CD2 4.16Å
231G95Very high92.3Very high1 Ų125 Ų251%0.0113%0.126CC..Hα-helixtrans-58.1-41.8176.700000112.3L227 E228 L229 V233L227-G231 PolarHBondContact O-N 3.32Å; E228-G231 PolarHBondContact O-N 3.1Å; L229-G231 PolarHBondContact O-N 2.96Å; G231-V233 VanDerWaalsContact C-N 3.26Å; G231-V233 PolarHBondContact O-N 2.87Å
232N93.8Very high92.6Very high8 Ų821.8 Ų21.84%0.04311%0.114CC..Hα-helixtrans-68.2-21.1178.7-73.9-13.3000113.9S162 V165 E166 I170 E228 L229 L230 W236S162-N232 PolarHBondContact OG-ND2 3.18Å; V165-N232 HydrophobicContact CG1-CB 4.17Å; E166-N232 WeakPolarHBondContact CG-ND2 3.27Å; E166-N232 PolarHBondContact OE1-ND2 2.96Å; I170-N232 HydrophobicContact CD1-CB 3.98Å; E228-N232 PolarHBondContact O-N 3.36Å; L229-N232 PolarHBondContact O-N 3.36Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.83Å; N232-W236 PolarHBondContact O-NE1 3.45Å
233V95Very high92.5Very high0 Ų023.5 Ų23.50%012%0.123CC..Hα-helixtrans-98.4-29.3177.3-570000113.8V165 L194 V195 L229 L230 G231 N235 W236 V237V165-V233 HydrophobicContact CG1-CG1 4.25Å; V165-V233 HydrophobicContact CG2-CG1 4.17Å; L194-V233 HydrophobicContact CB-CG1 4.15Å; V195-V233 HydrophobicContact CG2-CG2 3.95Å; L229-V233 HydrophobicContact CD1-CG1 4.09Å; L229-V233 WeakPolarHBondContact O-CG1 3.41Å; L229-V233 PolarHBondContact O-N 3.37Å; L229-V233 VanDerWaalsContact O-N 3.15Å; L230-V233 HydrophobicContact CD1-CG2 4.19Å; L230-V233 WeakPolarHBondContact O-CG2 3.43Å; L230-V233 PolarHBondContact O-N 3.44Å; L230-V233 VanDerWaalsContact O-N 3.14Å; G231-V233 VanDerWaalsContact C-N 3.26Å; G231-V233 PolarHBondContact O-N 2.87Å; V233-N235 PolarHBondContact O-N 3.47Å; V233-N235 VanDerWaalsContact O-N 3.07Å; V233-W236 HydrophobicContact CB-CZ2 4.19Å; V233-W236 HydrophobicContact CG1-CZ2 3.89Å; V233-W236 PolarHBondContact O-N 2.97Å; V233-V237 HydrophobicContact CB-CG2 3.97Å; V233-V237 WeakPolarHBondContact O-CB 3.24Å; V233-V237 VanDerWaalsContact O-CG2 3.22Å; V233-V237 WeakPolarHBondContact O-CG2 3.44Å; V233-V237 PolarHBondContact O-N 3.38Å; V233-V237 VanDerWaalsContact O-N 3.14Å
234L93.3Very high92.4Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-62.3-19.5-174-80.2173.5000114.3L230 L242 I249 L253 C271 Q274 V275 R278L230-L234 HydrophobicContact CD1-CD1 4.26Å; L230-L234 HydrophobicContact CD1-CD2 4.18Å; L230-L234 HydrophobicContact CD1-CG 3.99Å; L230-L234 HydrophobicContact CD2-CD1 4.4Å; L230-L234 HydrophobicContact CG-CD1 3.79Å; L230-L234 HydrophobicContact CG-CG 4.03Å; L230-L234 WeakPolarHBondContact O-CB 3.43Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 3.25Å; L234-L242 HydrophobicContact CD2-CD1 4.27Å; L234-L242 HydrophobicContact CD2-CD2 3.94Å; L234-I249 HydrophobicContact CD2-CD1 3.96Å; L234-I249 HydrophobicContact CD2-CG2 4.38Å; L234-L253 HydrophobicContact CD1-CD1 4.49Å; L234-C271 HydrophobicContact CD1-CB 3.95Å; L234-C271 WeakPolarHBondContact CD1-O 3.36Å; L234-Q274 HydrophobicContact CB-CB 4.19Å; L234-V275 HydrophobicContact CB-CG2 4.25Å; L234-V275 HydrophobicContact CD1-CG2 3.86Å; L234-V275 HydrophobicContact CD2-CG2 4.05Å; L234-V275 HydrophobicContact CG-CG2 4.28Å; L234-R278 PolarHBondContact O-NH1 2.78Å
235N87.4Confident92.4Very high47 Ų4728.5 Ų28.525%0.25115%0.152SC..THydrogen-bonded Turntrans-81.5-39-179.4-161-68.1000113.2V233 Q274 R278V233-N235 PolarHBondContact O-N 3.47Å; V233-N235 VanDerWaalsContact O-N 3.07Å; N235-Q274 PolarHBondContact ND2-OE1 2.94Å; N235-R278 PolarHBondContact O-NH1 3.2Å; N235-R278 VanDerWaalsContact O-NH1 3.09Å; N235-R278 PolarHBondContact O-NH2 3.41Å
236W88.3Confident92.2Very high40 Ų4028.7 Ų28.715%0.15215%0.152CC..THydrogen-bonded Turntrans-108.1-22.9-169.560-98.5000114.5V165 V169 L187 M188 L194 N232 V233V165-W236 HydrophobicContact CG1-CZ2 3.92Å; V165-W236 HydrophobicContact CG2-CZ2 4.24Å; V169-W236 HydrophobicContact CG1-CB 4.16Å; V169-W236 HydrophobicContact CG1-CD2 3.95Å; V169-W236 HydrophobicContact CG1-CG 3.63Å; V169-W236 HydrophobicContact CG2-CZ2 4.31Å; L187-W236 HydrophobicContact CB-CH2 4.29Å; M188-W236 HydrophobicContact CE-CE3 3.57Å; M188-W236 HydrophobicContact CE-CZ3 3.89Å; M188-W236 HydrophobicContact CG-CZ3 4.31Å; M188-W236 HydrophobicContact SD-CE3 3.92Å; M188-W236 HydrophobicContact SD-CZ3 3.63Å; L194-W236 HydrophobicContact CD1-CH2 4.18Å; L194-W236 HydrophobicContact CD1-CZ2 4.44Å; N232-W236 PolarHBondContact O-NE1 3.45Å; V233-W236 HydrophobicContact CB-CZ2 4.19Å; V233-W236 HydrophobicContact CG1-CZ2 3.89Å; V233-W236 PolarHBondContact O-N 2.97Å
237V92.4Very high91.9Very high0 Ų032.6 Ų32.60%018%0.177CC..SBendtrans-59.4136.7177.3170.70000109.9A191 V195 V233 A239 L241 L242 R278A191-V237 HydrophobicContact CB-CG1 4.26Å; A191-V237 HydrophobicContact CB-CG2 4.16Å; V195-V237 HydrophobicContact CG2-CG1 4.49Å; V195-V237 HydrophobicContact CG2-CG2 4.45Å; V233-V237 HydrophobicContact CB-CG2 3.97Å; V233-V237 WeakPolarHBondContact O-CB 3.24Å; V233-V237 VanDerWaalsContact O-CG2 3.22Å; V233-V237 WeakPolarHBondContact O-CG2 3.44Å; V233-V237 PolarHBondContact O-N 3.38Å; V233-V237 VanDerWaalsContact O-N 3.14Å; V237-A239 PolarHBondContact O-N 2.88Å; V237-L241 HydrophobicContact CG1-CB 4.3Å; V237-L241 HydrophobicContact CG1-CD2 3.78Å; V237-L241 HydrophobicContact CG1-CG 4.43Å; V237-L242 HydrophobicContact CB-CD1 4.47Å; V237-L242 HydrophobicContact CB-CD2 4.2Å; V237-L242 HydrophobicContact CB-CG 4.27Å; V237-L242 HydrophobicContact CG1-CD2 3.83Å; V237-L242 HydrophobicContact CG1-CG 3.9Å; V237-R278 PolarHBondContact O-NH1 2.84Å; V237-R278 PolarHBondContact O-NH2 2.91Å
238P90.2Very high91.7Very high64 Ų6439.3 Ų39.342%0.41621%0.206SC..  trans-54.6133.3-177.2-28.835.6000113.5Q240 L241 L242P238-Q240 PolarHBondContact O-N 2.98Å; P238-Q240 VanDerWaalsContact O-N 3.13Å; P238-L241 WeakPolarHBondContact O-CB 3.32Å; P238-L241 PolarHBondContact O-N 3.37Å; P238-L242 PolarHBondContact O-N 2.76Å; P238-L242 VanDerWaalsContact O-N 3.17Å
239A89.9Confident91.6Very high7 Ų736 Ų366%0.05819%0.191CC..Hα-helixtrans-56.5-33.7-176.100000113.7V237 L241 L242 N243 E284 P287 L288V237-A239 PolarHBondContact O-N 2.88Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-L241 PolarHBondContact O-N 3.02Å; A239-L242 PolarHBondContact O-N 3.4Å; A239-N243 WeakPolarHBondContact O-CB 3.41Å; A239-N243 PolarHBondContact O-N 3.45Å; A239-E284 WeakPolarHBondContact CB-O 3.31Å; A239-P287 HydrophobicContact CB-CB 4.34Å; A239-P287 HydrophobicContact CB-CG 4.2Å; A239-L288 HydrophobicContact CB-CD1 3.97Å; A239-L288 HydrophobicContact CB-CG 4Å
240Q88.2Confident91.3Very high130 Ų13036.6 Ų36.661%0.60720%0.195SC*.Hα-helixtrans-64.9-38.5177.5-169.264.614.300112.3P238 P287P238-Q240 PolarHBondContact O-N 2.98Å; P238-Q240 VanDerWaalsContact O-N 3.13Å; Q240-P287 VanDerWaalsContact OE1-CG 3.31Å
241L89.6Confident91Very high41 Ų4139.6 Ų39.622%0.21522%0.22CC..Hα-helixtrans-67.7-43.7176.6-170.9154.2000110A191 V237 P238 A239 S244A191-L241 HydrophobicContact CB-CD1 4.23Å; V237-L241 HydrophobicContact CG1-CB 4.3Å; V237-L241 HydrophobicContact CG1-CD2 3.78Å; V237-L241 HydrophobicContact CG1-CG 4.43Å; P238-L241 WeakPolarHBondContact O-CB 3.32Å; P238-L241 PolarHBondContact O-N 3.37Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-L241 PolarHBondContact O-N 3.02Å; L241-S244 PolarHBondContact O-OG 3.23Å
242L91.9Very high90.9Very high0 Ų040 Ų400%022%0.223CC..Hα-helixtrans-61.1-46.4175.8-70.2-175.2000111.9V195 L234 V237 P238 A239 S244 R245 M246 I249 L288V195-L242 HydrophobicContact CG2-CD2 4.05Å; L234-L242 HydrophobicContact CD2-CD1 4.27Å; L234-L242 HydrophobicContact CD2-CD2 3.94Å; V237-L242 HydrophobicContact CB-CD1 4.47Å; V237-L242 HydrophobicContact CB-CD2 4.2Å; V237-L242 HydrophobicContact CB-CG 4.27Å; V237-L242 HydrophobicContact CG1-CD2 3.83Å; V237-L242 HydrophobicContact CG1-CG 3.9Å; P238-L242 PolarHBondContact O-N 2.76Å; P238-L242 VanDerWaalsContact O-N 3.17Å; A239-L242 PolarHBondContact O-N 3.4Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 3.06Å; L242-S244 VanDerWaalsContact O-N 3.16Å; L242-R245 CarbonylContact O-C 3.6Å; L242-R245 WeakPolarHBondContact O-CA 3.41Å; L242-R245 PolarHBondContact O-N 2.95Å; L242-M246 HydrophobicContact CB-CE 3.8Å; L242-M246 HydrophobicContact CD2-CE 4.29Å; L242-M246 VanDerWaalsContact O-CE 3.27Å; L242-M246 WeakPolarHBondContact O-CE 3.36Å; L242-M246 WeakPolarHBondContact O-CG 3.2Å; L242-M246 PolarHBondContact O-N 3.35Å; L242-I249 HydrophobicContact CD2-CD1 4.39Å; L242-L288 HydrophobicContact CB-CD2 4.03Å
243N89.6Confident90.9Very high56 Ų5639.7 Ų39.730%0.29922%0.221SC..Hα-helixtrans-50.9-44.9-177.8-174.725.2000112.3A239 R245 M246 P287 L288A239-N243 WeakPolarHBondContact O-CB 3.41Å; A239-N243 PolarHBondContact O-N 3.45Å; N243-R245 PolarHBondContact O-N 2.8Å; N243-R245 VanDerWaalsContact O-N 3.11Å; N243-M246 PolarHBondContact O-N 2.99Å; N243-P287 HydrophobicContact CB-CB 3.88Å; N243-P287 PolarHBondContact ND2-O 2.89Å; N243-P287 PolarHBondContact OD1-O 3.49Å; N243-P287 VanDerWaalsContact OD1-O 3.13Å; N243-L288 HydrophobicContact CB-CD2 4.48Å
244S89.5Confident90.7Very high85 Ų8540.8 Ų40.859%0.59423%0.227SC*.Hα-helixtrans-60.5-23.4177.869.80000114.7L241 L242L241-S244 PolarHBondContact O-OG 3.23Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 3.06Å; L242-S244 VanDerWaalsContact O-N 3.16Å
245R92.2Very high90.6Very high44 Ų4444.7 Ų44.717%0.16625%0.247CC..Hα-helixtrans-106.6-10.3-178.3-69.1170.417279.4-3.5113.2S192 D196 L242 N243 P247 K248 I249S192-R245 VanDerWaalsContact CB-NH2 3.26Å; S192-R245 PolarHBondContact OG-NH2 3.1Å; D196-R245 VanDerWaalsContact CG-NE 3.28Å; D196-R245 WeakPolarHBondContact OD1-CD 3.44Å; D196-R245 IonicContact OD1-CZ 3.83Å; D196-R245 IonicContact OD1-NE 2.81Å; D196-R245 PolarHBondContact OD1-NE 2.97Å; D196-R245 IonicContact OD1-NH2 3.97Å; D196-R245 IonicContact OD2-CZ 3.39Å; D196-R245 IonicContact OD2-NE 3.06Å; D196-R245 PolarHBondContact OD2-NE 3.15Å; D196-R245 IonicContact OD2-NH2 2.82Å; D196-R245 PolarHBondContact OD2-NH2 3.25Å; L242-R245 CarbonylContact O-C 3.6Å; L242-R245 WeakPolarHBondContact O-CA 3.41Å; L242-R245 PolarHBondContact O-N 2.95Å; N243-R245 PolarHBondContact O-N 2.8Å; N243-R245 VanDerWaalsContact O-N 3.11Å; R245-P247 VanDerWaalsContact C-CD 3.42Å; R245-P247 VanDerWaalsContact C-N 3.33Å; R245-K248 WeakPolarHBondContact O-CA 3.47Å; R245-K248 WeakPolarHBondContact O-CB 3.48Å; R245-K248 PolarHBondContact O-N 2.98Å; R245-I249 HydrophobicContact CB-CD1 4.36Å; R245-I249 HydrophobicContact CB-CG1 4.22Å; R245-I249 WeakPolarHBondContact O-CG1 3.42Å; R245-I249 PolarHBondContact O-N 3.42Å
246M89.8Confident90.8Very high7 Ų742.7 Ų42.73%0.03424%0.237CC..Hα-helixtrans-51.3-39.6-174.9-81.2-51.592.700115.6L242 N243 K248 I249 S250 L288 L291L242-M246 HydrophobicContact CB-CE 3.8Å; L242-M246 HydrophobicContact CD2-CE 4.29Å; L242-M246 VanDerWaalsContact O-CE 3.27Å; L242-M246 WeakPolarHBondContact O-CE 3.36Å; L242-M246 WeakPolarHBondContact O-CG 3.2Å; L242-M246 PolarHBondContact O-N 3.35Å; N243-M246 PolarHBondContact O-N 2.99Å; M246-K248 VanDerWaalsContact C-N 3.26Å; M246-K248 PolarHBondContact O-N 3.47Å; M246-I249 HydrophobicContact CE-CB 3.69Å; M246-I249 HydrophobicContact CE-CD1 3.29Å; M246-I249 HydrophobicContact CE-CG1 3.54Å; M246-I249 HydrophobicContact CE-CG2 4.05Å; M246-I249 PolarHBondContact O-N 3.02Å; M246-I249 HydrophobicContact SD-CB 4.36Å; M246-S250 VanDerWaalsContact O-CB 3.29Å; M246-S250 WeakPolarHBondContact O-CB 3.4Å; M246-S250 PolarHBondContact O-N 2.95Å; M246-L288 HydrophobicContact CG-CD2 3.82Å; M246-L288 HydrophobicContact SD-CD2 4.14Å; M246-L291 HydrophobicContact CB-CD2 4.2Å; M246-L291 HydrophobicContact CG-CD1 4.27Å; M246-L291 HydrophobicContact CG-CD2 4.12Å; M246-L291 HydrophobicContact CG-CG 4.46Å; M246-L291 HydrophobicContact SD-CD1 3.79Å; M246-L291 HydrophobicContact SD-CD2 4.13Å; M246-L291 HydrophobicContact SD-CG 4.47Å
247P89.6Confident91Very high82 Ų8241 Ų4153%0.53223%0.231SC..Hα-helixtrans-57.3-40.3174.8-26.635.9000112.8R245 A251R245-P247 VanDerWaalsContact C-CD 3.42Å; R245-P247 VanDerWaalsContact C-N 3.33Å; P247-A251 VanDerWaalsContact O-CB 3.27Å; P247-A251 WeakPolarHBondContact O-CB 3.23Å; P247-A251 PolarHBondContact O-N 3.38Å; P247-A251 VanDerWaalsContact O-N 3.09Å
248K91.6Very high90.9Very high141 Ų14146.6 Ų46.661%0.61326%0.257SS*.Hα-helixtrans-72.1-43.2176.6-65.1-175.4178-177.30111.8L199 R245 M246 A251 A252L199-K248 HydrophobicContact CD1-CB 4.5Å; R245-K248 WeakPolarHBondContact O-CA 3.47Å; R245-K248 WeakPolarHBondContact O-CB 3.48Å; R245-K248 PolarHBondContact O-N 2.98Å; M246-K248 VanDerWaalsContact C-N 3.26Å; M246-K248 PolarHBondContact O-N 3.47Å; K248-A251 PolarHBondContact O-N 3.3Å; K248-A252 WeakPolarHBondContact O-CB 3.47Å; K248-A252 PolarHBondContact O-N 3.2Å
249I93Very high90.8Very high2 Ų245.2 Ų45.21%0.0125%0.249CC..Hα-helixtrans-61.4-50.3179.3-55.9-148.2000110.2V195 L199 L230 L234 L242 R245 M246 A251 A252 L253V195-I249 HydrophobicContact CG1-CD1 3.51Å; L199-I249 HydrophobicContact CD1-CD1 4.07Å; L199-I249 HydrophobicContact CD1-CG1 3.71Å; L199-I249 HydrophobicContact CD2-CB 4.37Å; L199-I249 HydrophobicContact CD2-CG1 4.03Å; L199-I249 HydrophobicContact CG-CG1 4.46Å; L230-I249 HydrophobicContact CD1-CD1 4.35Å; L234-I249 HydrophobicContact CD2-CD1 3.96Å; L234-I249 HydrophobicContact CD2-CG2 4.38Å; L242-I249 HydrophobicContact CD2-CD1 4.39Å; R245-I249 HydrophobicContact CB-CD1 4.36Å; R245-I249 HydrophobicContact CB-CG1 4.22Å; R245-I249 WeakPolarHBondContact O-CG1 3.42Å; R245-I249 PolarHBondContact O-N 3.42Å; M246-I249 HydrophobicContact CE-CB 3.69Å; M246-I249 HydrophobicContact CE-CD1 3.29Å; M246-I249 HydrophobicContact CE-CG1 3.54Å; M246-I249 HydrophobicContact CE-CG2 4.05Å; M246-I249 PolarHBondContact O-N 3.02Å; M246-I249 HydrophobicContact SD-CB 4.36Å; I249-A251 PolarHBondContact O-N 3.09Å; I249-A252 PolarHBondContact O-N 3.38Å; I249-L253 HydrophobicContact CG2-CD1 3.62Å; I249-L253 HydrophobicContact CG2-CG 4.15Å; I249-L253 WeakPolarHBondContact O-CB 3.36Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.38Å; I249-L253 PolarHBondContact O-N 2.85Å
250S90.1Very high90.5Very high12 Ų1252 Ų528%0.08429%0.29CS..Hα-helixtrans-62.5-42.5178.8171.60000112.3M246 A252 L253 H254 Y296M246-S250 VanDerWaalsContact O-CB 3.29Å; M246-S250 WeakPolarHBondContact O-CB 3.4Å; M246-S250 PolarHBondContact O-N 2.95Å; S250-A252 VanDerWaalsContact C-N 3.35Å; S250-A252 PolarHBondContact O-N 3.27Å; S250-L253 PolarHBondContact O-N 2.98Å; S250-H254 WeakPolarHBondContact O-CB 3.3Å; S250-H254 VanDerWaalsContact O-CG 3.24Å; S250-H254 PolarHBondContact O-N 3.06Å; S250-H254 PolarHBondContact O-ND1 3.24Å; S250-H254 PolarHBondContact OG-CE1 3.41Å; S250-H254 PolarHBondContact OG-ND1 3.37Å; S250-H254 VanDerWaalsContact OG-ND1 3.15Å; S250-Y296 VanDerWaalsContact CB-CE1 3.48Å; S250-Y296 WeakPolarHBondContact OG-CD1 3.36Å; S250-Y296 VanDerWaalsContact OG-CE1 3.29Å; S250-Y296 WeakPolarHBondContact OG-CE1 3.47Å
251A90.5Very high90.5Very high64 Ų6447.3 Ų47.353%0.52927%0.271SS..Hα-helixtrans-60.6-44.8176.800000111.9P247 K248 I249 L255P247-A251 VanDerWaalsContact O-CB 3.27Å; P247-A251 WeakPolarHBondContact O-CB 3.23Å; P247-A251 PolarHBondContact O-N 3.38Å; P247-A251 VanDerWaalsContact O-N 3.09Å; K248-A251 PolarHBondContact O-N 3.3Å; I249-A251 PolarHBondContact O-N 3.09Å; A251-L255 WeakPolarHBondContact O-CB 3.43Å; A251-L255 PolarHBondContact O-N 2.89Å; A251-L255 VanDerWaalsContact O-N 3.17Å
252A92.4Very high90.4Very high10 Ų1048.3 Ų48.38%0.08328%0.276CS..Hα-helixtrans-63.5-48176.800000111.8L199 V202 K248 I249 S250 L255 C256L199-A252 HydrophobicContact CD2-CB 3.94Å; V202-A252 HydrophobicContact CG1-CB 4Å; K248-A252 WeakPolarHBondContact O-CB 3.47Å; K248-A252 PolarHBondContact O-N 3.2Å; I249-A252 PolarHBondContact O-N 3.38Å; S250-A252 VanDerWaalsContact C-N 3.35Å; S250-A252 PolarHBondContact O-N 3.27Å; A252-L255 PolarHBondContact O-N 2.77Å; A252-C256 PolarHBondContact O-N 3.36Å; A252-C256 PolarHBondContact O-SG 3.23Å
253L93.6Very high90.2Very high1 Ų151.6 Ų51.61%0.00530%0.299CS..Hα-helixtrans-68.1-44.9-177.5-67.2-179.8000112.1L227 L230 L234 I249 S250 L255 C256 L257 S268 C271 L272L227-L253 HydrophobicContact CD2-CD2 3.58Å; L230-L253 HydrophobicContact CD2-CD2 4.16Å; L234-L253 HydrophobicContact CD1-CD1 4.49Å; I249-L253 HydrophobicContact CG2-CD1 3.62Å; I249-L253 HydrophobicContact CG2-CG 4.15Å; I249-L253 WeakPolarHBondContact O-CB 3.36Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.38Å; I249-L253 PolarHBondContact O-N 2.85Å; S250-L253 PolarHBondContact O-N 2.98Å; L253-L255 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 3.49Å; L253-C256 PolarHBondContact O-N 3.24Å; L253-L257 VanDerWaalsContact O-CB 3.27Å; L253-L257 WeakPolarHBondContact O-CB 3.39Å; L253-L257 PolarHBondContact O-N 2.89Å; L253-S268 VanDerWaalsContact C-OG 3.24Å; L253-S268 WeakPolarHBondContact CA-OG 3.32Å; L253-S268 WeakPolarHBondContact CB-OG 3.29Å; L253-S268 PolarHBondContact O-OG 3.5Å; L253-C271 HydrophobicContact CD1-CB 3.87Å; L253-C271 HydrophobicContact CD2-CB 3.54Å; L253-C271 HydrophobicContact CG-CB 4.39Å; L253-L272 HydrophobicContact CB-CD1 4.31Å; L253-L272 HydrophobicContact CB-CD2 3.92Å; L253-L272 HydrophobicContact CB-CG 3.97Å; L253-L272 HydrophobicContact CD1-CD2 3.6Å; L253-L272 HydrophobicContact CD1-CG 3.81Å; L253-L272 HydrophobicContact CG-CD2 4.41Å; L253-L272 HydrophobicContact CG-CG 4.47Å
254H91.6Very high90.3Very high24 Ų2449.8 Ų49.811%0.11129%0.289CS..Hα-helixtrans-62.1-39.7177-67.9160.2000112.1S250 L257 E258 Y296S250-H254 WeakPolarHBondContact O-CB 3.3Å; S250-H254 VanDerWaalsContact O-CG 3.24Å; S250-H254 PolarHBondContact O-N 3.06Å; S250-H254 PolarHBondContact O-ND1 3.24Å; S250-H254 PolarHBondContact OG-CE1 3.41Å; S250-H254 PolarHBondContact OG-ND1 3.37Å; S250-H254 VanDerWaalsContact OG-ND1 3.15Å; H254-L257 WeakPolarHBondContact O-CB 3.49Å; H254-L257 PolarHBondContact O-N 3.23Å; H254-E258 PolarHBondContact O-N 3.38Å; H254-Y296 PolarHBondContact NE2-O 3.47Å
255L90.3Very high90.5Very high82 Ų8245.7 Ų45.743%0.42926%0.261SS..Hα-helixtrans-60.9-47.5174-179.272.2000111.8Q206 A251 A252 L253 L257 E258 S259Q206-L255 HydrophobicContact CG-CD2 3.89Å; A251-L255 WeakPolarHBondContact O-CB 3.43Å; A251-L255 PolarHBondContact O-N 2.89Å; A251-L255 VanDerWaalsContact O-N 3.17Å; A252-L255 PolarHBondContact O-N 2.77Å; L253-L255 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 3.49Å; L255-L257 VanDerWaalsContact C-N 3.27Å; L255-L257 PolarHBondContact O-N 2.9Å; L255-E258 PolarHBondContact O-N 3.29Å; L255-S259 PolarHBondContact O-N 3.02Å
256C92.3Very high90.6Very high5 Ų548.1 Ų48.13%0.03427%0.273CS..Hα-helixtrans-63.5-35.1177.5-71.60000112.1L227 A252 L253 E258 S259 L264 A265L227-C256 HydrophobicContact CD1-CB 4.05Å; A252-C256 PolarHBondContact O-N 3.36Å; A252-C256 PolarHBondContact O-SG 3.23Å; L253-C256 PolarHBondContact O-N 3.24Å; C256-E258 VanDerWaalsContact C-N 3.34Å; C256-S259 VanDerWaalsContact O-CB 3.25Å; C256-S259 WeakPolarHBondContact O-CB 3.46Å; C256-S259 PolarHBondContact O-N 3.48Å; C256-S259 PolarHBondContact O-OG 2.93Å; C256-L264 HydrophobicContact CB-CD1 4.39Å; C256-L264 HydrophobicContact CB-CD2 4.26Å; C256-L264 HydrophobicContact CB-CG 3.93Å; C256-A265 VanDerWaalsContact O-CA 3.31Å; C256-A265 WeakPolarHBondContact O-CA 3.42Å; C256-A265 PolarHBondContact O-N 3.2Å
257L92.9Very high90.8Very high4 Ų450.2 Ų50.22%0.02128%0.283CS..Hα-helixtrans-66.7-35.3178-171.167.2000112L253 H254 L255 S259 A269 L272 I300 V303 V323L253-L257 VanDerWaalsContact O-CB 3.27Å; L253-L257 WeakPolarHBondContact O-CB 3.39Å; L253-L257 PolarHBondContact O-N 2.89Å; H254-L257 WeakPolarHBondContact O-CB 3.49Å; H254-L257 PolarHBondContact O-N 3.23Å; L255-L257 VanDerWaalsContact C-N 3.27Å; L255-L257 PolarHBondContact O-N 2.9Å; L257-S259 VanDerWaalsContact C-N 3.31Å; L257-A269 HydrophobicContact CD1-CB 3.99Å; L257-L272 HydrophobicContact CD2-CD1 4.12Å; L257-I300 HydrophobicContact CD2-CG1 4.35Å; L257-V303 HydrophobicContact CD2-CB 4.36Å; L257-V303 HydrophobicContact CD2-CG2 4.18Å; L257-V303 HydrophobicContact CG-CB 4.4Å; L257-V303 HydrophobicContact CG-CG1 4.16Å; L257-V303 HydrophobicContact CG-CG2 4.13Å; L257-V323 HydrophobicContact CD1-CG2 3.99Å
258E90.8Very high91.1Very high118 Ų11846.3 Ų46.355%0.55126%0.258SS*.THydrogen-bonded Turntrans-86.61.2176.3-68.3-176.4175.200113.7H254 L255 C256 V303H254-E258 PolarHBondContact O-N 3.38Å; L255-E258 PolarHBondContact O-N 3.29Å; C256-E258 VanDerWaalsContact C-N 3.34Å; E258-V303 HydrophobicContact CG-CG2 3.79Å
259S87.5Confident91.4Very high35 Ų3539.7 Ų39.725%0.24523%0.229CC..SBendtrans-68157.3-177.579.50000112.8L255 C256 L257 S261L255-S259 PolarHBondContact O-N 3.02Å; C256-S259 VanDerWaalsContact O-CB 3.25Å; C256-S259 WeakPolarHBondContact O-CB 3.46Å; C256-S259 PolarHBondContact O-N 3.48Å; C256-S259 PolarHBondContact O-OG 2.93Å; L257-S259 VanDerWaalsContact C-N 3.31Å; S259-S261 PolarHBondContact O-N 3.4Å; S259-S261 PolarHBondContact OG-N 2.98Å; S259-S261 PolarHBondContact OG-O 3.42Å
260T84.2Confident91.5Very high150 Ų15043.6 Ų43.692%0.9224%0.244SC*.SBendtrans-74.1-11.317456.10000113.1
261S87.2Confident91.7Very high30 Ų3043 Ų4321%0.2124%0.24CC..  trans-88.5108178.4178.50000109.4S220 S259 S263 L264 A265S220-S261 PolarHBondContact OG-OG 3.06Å; S259-S261 PolarHBondContact O-N 3.4Å; S259-S261 PolarHBondContact OG-N 2.98Å; S259-S261 PolarHBondContact OG-O 3.42Å; S261-S263 VanDerWaalsContact C-N 3.27Å; S261-S263 PolarHBondContact O-N 2.9Å; S261-S263 PolarHBondContact OG-OG 3.46Å; S261-L264 PolarHBondContact O-N 2.99Å; S261-L264 VanDerWaalsContact O-N 3.16Å; S261-A265 PolarHBondContact O-N 3.32Å
262L88.8Confident91.9Very high62 Ų6240.6 Ų40.633%0.32522%0.218SC..Hα-helixtrans-60.8-36.3-177.5-63.1176.7000112.3A265 K266 N315 L319L262-A265 PolarHBondContact O-N 3.35Å; L262-K266 WeakPolarHBondContact O-CB 3.42Å; L262-K266 PolarHBondContact O-N 3.31Å; L262-N315 HydrophobicContact CD1-CB 3.44Å; L262-N315 VanDerWaalsContact CD1-CB 3.44Å; L262-L319 HydrophobicContact CD2-CD2 3.59Å
263S87Confident92.1Very high70 Ų7041.1 Ų41.149%0.4922%0.22SC..Hα-helixtrans-64.2-43.1176570000111.9S261 K266 M267S261-S263 VanDerWaalsContact C-N 3.27Å; S261-S263 PolarHBondContact O-N 2.9Å; S261-S263 PolarHBondContact OG-OG 3.46Å; S263-K266 PolarHBondContact O-N 3.43Å; S263-M267 PolarHBondContact O-N 3.15Å
264L91.4Very high92Very high17 Ų1742.5 Ų42.59%0.08923%0.226CC..Hα-helixtrans-66.2-42177.7-172.967000111.4C223 L227 C256 S261 M267 S268C223-L264 HydrophobicContact CB-CD1 3.59Å; L227-L264 HydrophobicContact CD1-CD1 3.62Å; L227-L264 HydrophobicContact CD1-CG 4.43Å; L227-L264 HydrophobicContact CG-CD1 4.45Å; C256-L264 HydrophobicContact CB-CD1 4.39Å; C256-L264 HydrophobicContact CB-CD2 4.26Å; C256-L264 HydrophobicContact CB-CG 3.93Å; S261-L264 PolarHBondContact O-N 2.99Å; S261-L264 VanDerWaalsContact O-N 3.16Å; L264-M267 PolarHBondContact O-N 2.83Å; L264-S268 WeakPolarHBondContact O-CB 3.36Å; L264-S268 PolarHBondContact O-N 3.22Å
265A94.2Very high92Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-62.9-42.4175.600000111.9C256 S261 L262 S268 A269 L319C256-A265 VanDerWaalsContact O-CA 3.31Å; C256-A265 WeakPolarHBondContact O-CA 3.42Å; C256-A265 PolarHBondContact O-N 3.2Å; S261-A265 PolarHBondContact O-N 3.32Å; L262-A265 PolarHBondContact O-N 3.35Å; A265-S268 WeakPolarHBondContact O-CB 3.4Å; A265-S268 PolarHBondContact O-N 3.05Å; A265-A269 PolarHBondContact O-N 3.49Å; A265-L319 HydrophobicContact CB-CD1 3.8Å; A265-L319 HydrophobicContact CB-CD2 3.71Å; A265-L319 HydrophobicContact CB-CG 4.44Å
266K94.2Very high92Very high95 Ų9539 Ų3941%0.41321%0.209SC..Hα-helixtrans-62.9-43.4176.7-171.3171.1-176.4171.80111.4L262 S263 S268 A269 Y270 D318 L319 A322L262-K266 WeakPolarHBondContact O-CB 3.42Å; L262-K266 PolarHBondContact O-N 3.31Å; S263-K266 PolarHBondContact O-N 3.43Å; K266-S268 VanDerWaalsContact C-N 3.32Å; K266-S268 PolarHBondContact O-N 3.06Å; K266-A269 PolarHBondContact O-N 3.43Å; K266-Y270 PolarHBondContact O-N 3.41Å; K266-D318 IonicContact NZ-OD2 3.44Å; K266-L319 HydrophobicContact CB-CD1 4.04Å; K266-A322 HydrophobicContact CG-CB 4.13Å
267M94.3Very high91.9Very high50 Ų5041.2 Ų41.225%0.24622%0.222CC..Hα-helixtrans-67.2-34.8177.1-163.261.275.400112.2L227 E228 S263 L264 Y270 C271L227-M267 HydrophobicContact CB-CB 4.18Å; L227-M267 HydrophobicContact CB-CG 3.42Å; L227-M267 VanDerWaalsContact CB-CG 3.42Å; L227-M267 HydrophobicContact CD1-CB 4.1Å; L227-M267 HydrophobicContact CD1-CG 4.26Å; E228-M267 HydrophobicContact CB-CE 4.44Å; S263-M267 PolarHBondContact O-N 3.15Å; L264-M267 PolarHBondContact O-N 2.83Å; M267-Y270 WeakPolarHBondContact O-CB 3.37Å; M267-Y270 PolarHBondContact O-N 2.84Å; M267-Y270 HydrophobicContact SD-CD1 3.89Å; M267-Y270 HydrophobicContact SD-CG 4.5Å; M267-C271 PolarHBondContact O-N 3.39Å; M267-C271 PolarHBondContact O-SG 3.31Å
268S95.8Very high91.7Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-64.9-44.4172.3-176.40000112.3L253 L264 A265 K266 Y270 C271 L272L253-S268 VanDerWaalsContact C-OG 3.24Å; L253-S268 WeakPolarHBondContact CA-OG 3.32Å; L253-S268 WeakPolarHBondContact CB-OG 3.29Å; L253-S268 PolarHBondContact O-OG 3.5Å; L264-S268 WeakPolarHBondContact O-CB 3.36Å; L264-S268 PolarHBondContact O-N 3.22Å; A265-S268 WeakPolarHBondContact O-CB 3.4Å; A265-S268 PolarHBondContact O-N 3.05Å; K266-S268 VanDerWaalsContact C-N 3.32Å; K266-S268 PolarHBondContact O-N 3.06Å; S268-Y270 VanDerWaalsContact C-N 3.29Å; S268-Y270 PolarHBondContact O-N 2.6Å; S268-C271 WeakPolarHBondContact O-CB 3.44Å; S268-C271 PolarHBondContact O-N 3.21Å; S268-C271 VanDerWaalsContact O-N 3.16Å; S268-L272 PolarHBondContact O-N 3.01Å
269A96.3Very high90.9Very high2 Ų245 Ų452%0.01724%0.235CC..Hα-helixtrans-58.9-42.1174.900000111.4L257 A265 K266 L272 N273 A322 V323 L326L257-A269 HydrophobicContact CD1-CB 3.99Å; A265-A269 PolarHBondContact O-N 3.49Å; K266-A269 PolarHBondContact O-N 3.43Å; A269-L272 PolarHBondContact O-N 3.43Å; A269-N273 VanDerWaalsContact O-CB 3.27Å; A269-N273 WeakPolarHBondContact O-CB 3.41Å; A269-N273 PolarHBondContact O-N 3.43Å; A269-A322 HydrophobicContact CB-CB 4.46Å; A269-V323 HydrophobicContact CB-CG2 4.14Å; A269-L326 HydrophobicContact CB-CD2 4.43Å
270Y95.2Very high90.3Very high85 Ų8545.2 Ų45.233%0.33324%0.243SC..Hα-helixtrans-58.3-49.4172.6170.8-104.1000112.1K266 M267 S268 L272 N273 Q274K266-Y270 PolarHBondContact O-N 3.41Å; M267-Y270 WeakPolarHBondContact O-CB 3.37Å; M267-Y270 PolarHBondContact O-N 2.84Å; M267-Y270 HydrophobicContact SD-CD1 3.89Å; M267-Y270 HydrophobicContact SD-CG 4.5Å; S268-Y270 VanDerWaalsContact C-N 3.29Å; S268-Y270 PolarHBondContact O-N 2.6Å; Y270-L272 PolarHBondContact O-N 2.81Å; Y270-N273 WeakPolarHBondContact O-CB 3.46Å; Y270-N273 PolarHBondContact O-N 3.41Å; Y270-N273 VanDerWaalsContact O-N 3.12Å; Y270-Q274 HydrophobicContact CE1-CG 4.2Å; Y270-Q274 HydrophobicContact CE2-CG 4.21Å; Y270-Q274 WeakPolarHBondContact O-CG 3.32Å; Y270-Q274 PolarHBondContact O-N 3.37Å; Y270-Q274 PolarHBondContact OH-NE2 3.01Å
271C95.9Very high90.1Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-59.4-47.6178.6-68.80000112.4L227 L234 L253 M267 S268 N273 Q274 V275L227-C271 PolarHBondContact O-SG 3.35Å; L234-C271 HydrophobicContact CD1-CB 3.95Å; L234-C271 WeakPolarHBondContact CD1-O 3.36Å; L253-C271 HydrophobicContact CD1-CB 3.87Å; L253-C271 HydrophobicContact CD2-CB 3.54Å; L253-C271 HydrophobicContact CG-CB 4.39Å; M267-C271 PolarHBondContact O-N 3.39Å; M267-C271 PolarHBondContact O-SG 3.31Å; S268-C271 WeakPolarHBondContact O-CB 3.44Å; S268-C271 PolarHBondContact O-N 3.21Å; S268-C271 VanDerWaalsContact O-N 3.16Å; C271-N273 PolarHBondContact O-N 3.39Å; C271-Q274 WeakPolarHBondContact O-CB 3.27Å; C271-Q274 PolarHBondContact O-N 3.45Å; C271-V275 PolarHBondContact O-N 3.19Å
272L94.8Very high89.7Confident12 Ų1245.4 Ų45.46%0.06324%0.236CC..Hα-helixtrans-59.4-41175.8-72.7169.7000110.6L253 L257 S268 A269 Y270 Q274 V275 F276 I300 L326L253-L272 HydrophobicContact CB-CD1 4.31Å; L253-L272 HydrophobicContact CB-CD2 3.92Å; L253-L272 HydrophobicContact CB-CG 3.97Å; L253-L272 HydrophobicContact CD1-CD2 3.6Å; L253-L272 HydrophobicContact CD1-CG 3.81Å; L253-L272 HydrophobicContact CG-CD2 4.41Å; L253-L272 HydrophobicContact CG-CG 4.47Å; L257-L272 HydrophobicContact CD2-CD1 4.12Å; S268-L272 PolarHBondContact O-N 3.01Å; A269-L272 PolarHBondContact O-N 3.43Å; Y270-L272 PolarHBondContact O-N 2.81Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.1Å; L272-V275 WeakPolarHBondContact O-CB 3.47Å; L272-V275 PolarHBondContact O-N 3.17Å; L272-V275 VanDerWaalsContact O-N 3.09Å; L272-F276 WeakPolarHBondContact O-CD2 3.48Å; L272-F276 PolarHBondContact O-N 2.94Å; L272-I300 HydrophobicContact CD1-CD1 4.31Å; L272-I300 HydrophobicContact CD1-CG1 4.31Å; L272-L326 HydrophobicContact CB-CD1 3.66Å; L272-L326 HydrophobicContact CB-CD2 3.68Å; L272-L326 HydrophobicContact CB-CG 4.35Å; L272-L326 HydrophobicContact CD1-CD2 3.75Å; L272-L326 HydrophobicContact CG-CD2 4.37Å
273N95.1Very high89.3Confident22 Ų2252.1 Ų52.112%0.11826%0.257CS..Hα-helixtrans-62.5-38.2179.1-168.456.4000111.6A269 Y270 C271 V275 F276 T277 L326 S329A269-N273 VanDerWaalsContact O-CB 3.27Å; A269-N273 WeakPolarHBondContact O-CB 3.41Å; A269-N273 PolarHBondContact O-N 3.43Å; Y270-N273 WeakPolarHBondContact O-CB 3.46Å; Y270-N273 PolarHBondContact O-N 3.41Å; Y270-N273 VanDerWaalsContact O-N 3.12Å; C271-N273 PolarHBondContact O-N 3.39Å; N273-V275 PolarHBondContact O-N 3.47Å; N273-F276 PolarHBondContact O-N 3.34Å; N273-T277 WeakPolarHBondContact O-CB 3.49Å; N273-T277 WeakPolarHBondContact O-CG2 3.44Å; N273-T277 PolarHBondContact O-N 3.35Å; N273-T277 PolarHBondContact O-OG1 2.68Å; N273-L326 HydrophobicContact CB-CD1 4.23Å; N273-S329 WeakPolarHBondContact OD1-CB 3.47Å; N273-S329 PolarHBondContact OD1-OG 3.38Å
274Q92.7Very high89Confident30 Ų3054.7 Ų54.714%0.1426%0.261CS..Hα-helixtrans-60.8-31.5175.2-67.3-57.1-30.400113L234 N235 Y270 C271 L272 R278L234-Q274 HydrophobicContact CB-CB 4.19Å; N235-Q274 PolarHBondContact ND2-OE1 2.94Å; Y270-Q274 HydrophobicContact CE1-CG 4.2Å; Y270-Q274 HydrophobicContact CE2-CG 4.21Å; Y270-Q274 WeakPolarHBondContact O-CG 3.32Å; Y270-Q274 PolarHBondContact O-N 3.37Å; Y270-Q274 PolarHBondContact OH-NE2 3.01Å; C271-Q274 WeakPolarHBondContact O-CB 3.27Å; C271-Q274 PolarHBondContact O-N 3.45Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.1Å; Q274-R278 VanDerWaalsContact O-CG 3.23Å; Q274-R278 WeakPolarHBondContact O-CG 3.41Å; Q274-R278 PolarHBondContact O-N 2.64Å
275V91.3Very high88.6Confident12 Ų1256.6 Ų56.67%0.07327%0.267CS..Hα-helixtrans-70.8-41.1177.4-174.50000111.7L234 C271 L272 N273 R278 L288 L291L234-V275 HydrophobicContact CB-CG2 4.25Å; L234-V275 HydrophobicContact CD1-CG2 3.86Å; L234-V275 HydrophobicContact CD2-CG2 4.05Å; L234-V275 HydrophobicContact CG-CG2 4.28Å; C271-V275 PolarHBondContact O-N 3.19Å; L272-V275 WeakPolarHBondContact O-CB 3.47Å; L272-V275 PolarHBondContact O-N 3.17Å; L272-V275 VanDerWaalsContact O-N 3.09Å; N273-V275 PolarHBondContact O-N 3.47Å; V275-R278 WeakPolarHBondContact O-CD 3.4Å; V275-R278 VanDerWaalsContact O-CG 3.31Å; V275-R278 WeakPolarHBondContact O-CG 3.46Å; V275-L288 HydrophobicContact CG1-CD1 4.22Å; V275-L291 HydrophobicContact CG1-CD1 3.45Å; V275-L291 VanDerWaalsContact CG1-CD1 3.45Å
276F90.3Very high88.3Confident21 Ų2160 Ų609%0.09228%0.283CS..Hα-helixtrans-80.7-26-178.7-66-70.5000113.4L272 N273 L291 L292 I300 L326 V330L272-F276 WeakPolarHBondContact O-CD2 3.48Å; L272-F276 PolarHBondContact O-N 2.94Å; N273-F276 PolarHBondContact O-N 3.34Å; F276-L291 HydrophobicContact CE1-CB 4.13Å; F276-L291 HydrophobicContact CZ-CB 4.19Å; F276-L292 HydrophobicContact CD1-CD2 4.13Å; F276-L292 HydrophobicContact CE1-CD2 3.71Å; F276-L292 HydrophobicContact CE1-CG 4.36Å; F276-I300 HydrophobicContact CE2-CD1 4.4Å; F276-L326 HydrophobicContact CD2-CD1 3.77Å; F276-L326 HydrophobicContact CE2-CD1 4.13Å; F276-V330 HydrophobicContact CD1-CG2 4.27Å; F276-V330 HydrophobicContact CD2-CG2 3.73Å; F276-V330 HydrophobicContact CE1-CG2 4.16Å; F276-V330 HydrophobicContact CE2-CG2 3.62Å; F276-V330 HydrophobicContact CG-CG2 4.07Å; F276-V330 HydrophobicContact CZ-CG2 3.85Å
277T89.7Confident87.9Confident51 Ų5156.8 Ų56.831%0.31327%0.271SS..THydrogen-bonded Turntrans-95.48.3-177.9590000114.4N273 K279 S329N273-T277 WeakPolarHBondContact O-CB 3.49Å; N273-T277 WeakPolarHBondContact O-CG2 3.44Å; N273-T277 PolarHBondContact O-N 3.35Å; N273-T277 PolarHBondContact O-OG1 2.68Å; T277-K279 PolarHBondContact O-N 3.06Å; T277-S329 VanDerWaalsContact CG2-OG 3.25Å; T277-S329 WeakPolarHBondContact CG2-OG 3.37Å
278R88.8Confident87.7Confident19 Ų1955 Ų557%0.07226%0.263CS..  trans-46.8136.5176.6-70.5-178.461.2101.14.3111.4L234 N235 V237 Q274 V275 R285L234-R278 PolarHBondContact O-NH1 2.78Å; N235-R278 PolarHBondContact O-NH1 3.2Å; N235-R278 VanDerWaalsContact O-NH1 3.09Å; N235-R278 PolarHBondContact O-NH2 3.41Å; V237-R278 PolarHBondContact O-NH1 2.84Å; V237-R278 PolarHBondContact O-NH2 2.91Å; Q274-R278 VanDerWaalsContact O-CG 3.23Å; Q274-R278 WeakPolarHBondContact O-CG 3.41Å; Q274-R278 PolarHBondContact O-N 2.64Å; V275-R278 WeakPolarHBondContact O-CD 3.4Å; V275-R278 VanDerWaalsContact O-CG 3.31Å; V275-R278 WeakPolarHBondContact O-CG 3.46Å; R278-R285 PolarHBondContact O-NE 3.26Å; R278-R285 PolarHBondContact O-NH1 3.17Å; R278-R285 PolarHBondContact O-NH2 3.28Å
279K74.9Confident87.3Confident181 Ų18155.2 Ų55.279%0.78726%0.264SS*.  trans-89.8163.5174-65-176.8-179.7178.80110.3T277T277-K279 PolarHBondContact O-N 3.06Å
280G75.1Confident86.9Confident40 Ų4058.3 Ų58.341%0.41228%0.284SS..SBendtrans114.5177.7177.500000115.3R285G280-R285 PolarHBondContact O-NE 3.01Å; G280-R285 PolarHBondContact O-NH2 3.44Å
281P78.9Confident86.5Confident75 Ų7555 Ų5549%0.48727%0.272SS..  trans-59.1141.4-176.7-2030.7000112.6R283 E284P281-R283 PolarHBondContact O-N 3.44Å; P281-R283 VanDerWaalsContact O-N 3.16Å; P281-E284 HydrophobicContact CB-CG 4.42Å; P281-E284 HydrophobicContact CG-CG 4.4Å; P281-E284 PolarHBondContact O-N 3.34Å
282K79.2Confident86.3Confident110 Ų11055.1 Ų55.148%0.47827%0.272SS..Hα-helixtrans-55-36.6-179.6-67.5-173.8176.7-170.20113.4E284 R285 S336 Y340K282-E284 VanDerWaalsContact C-N 3.28Å; K282-E284 PolarHBondContact O-N 2.87Å; K282-R285 PolarHBondContact O-N 2.93Å; K282-R285 VanDerWaalsContact O-N 3.09Å; K282-S336 PolarHBondContact NZ-O 3.02Å; K282-Y340 WeakPolarHBondContact CB-OH 3.1Å
283R79.4Confident86.1Confident203 Ų20355.3 Ų55.377%0.76628%0.275SS*.Hα-helixtrans-61.5-33.1178.1-69.3-173.4-177.7-179.40.6113.4P281 R285 E286P281-R283 PolarHBondContact O-N 3.44Å; P281-R283 VanDerWaalsContact O-N 3.16Å; R283-R285 PolarHBondContact O-N 3Å; R283-E286 VanDerWaalsContact O-CB 3.31Å; R283-E286 WeakPolarHBondContact O-CB 3.44Å; R283-E286 PolarHBondContact O-N 2.92Å
284E81.2Confident85.9Confident123 Ų12357 Ų5758%0.57528%0.284SS*.Hα-helixtrans-71.2-17.6178.8-68.3-177.7-176.900112.3A239 P281 K282A239-E284 WeakPolarHBondContact CB-O 3.31Å; P281-E284 HydrophobicContact CB-CG 4.42Å; P281-E284 HydrophobicContact CG-CG 4.4Å; P281-E284 PolarHBondContact O-N 3.34Å; K282-E284 VanDerWaalsContact C-N 3.28Å; K282-E284 PolarHBondContact O-N 2.87Å
285R84.4Confident85.7Confident57 Ų5761.4 Ų61.422%0.21531%0.308CS..Hα-helixtrans-94.2-8.5179.1-52.3-177.4-158.5-179.46.1113.1R278 G280 K282 R283 P287 L288R278-R285 PolarHBondContact O-NE 3.26Å; R278-R285 PolarHBondContact O-NH1 3.17Å; R278-R285 PolarHBondContact O-NH2 3.28Å; G280-R285 PolarHBondContact O-NE 3.01Å; G280-R285 PolarHBondContact O-NH2 3.44Å; K282-R285 PolarHBondContact O-N 2.93Å; K282-R285 VanDerWaalsContact O-N 3.09Å; R283-R285 PolarHBondContact O-N 3Å; R285-P287 VanDerWaalsContact C-N 3.29Å; R285-L288 PolarHBondContact O-N 2.99Å
286E86.1Confident85.7Confident73 Ų7363.3 Ų63.334%0.34131%0.314SS..G310 helixtrans-50.4-41-179.8-168.8174.6179.500113.5R283 L288 L289 Y340 Q342R283-E286 VanDerWaalsContact O-CB 3.31Å; R283-E286 WeakPolarHBondContact O-CB 3.44Å; R283-E286 PolarHBondContact O-N 2.92Å; E286-L288 PolarHBondContact O-N 3.3Å; E286-L288 VanDerWaalsContact O-N 3.12Å; E286-L289 HydrophobicContact CB-CD1 4.5Å; E286-L289 HydrophobicContact CG-CD1 4.13Å; E286-L289 WeakPolarHBondContact O-CB 3.45Å; E286-L289 WeakPolarHBondContact O-CG 3.46Å; E286-L289 PolarHBondContact O-N 3.35Å; E286-Y340 HydrophobicContact CG-CD1 4.35Å; E286-Y340 HydrophobicContact CG-CE1 4.33Å; E286-Q342 PolarHBondContact OE1-NE2 2.81Å
287P87.5Confident85.9Confident26 Ų2662.4 Ų62.417%0.16931%0.311CS..G310 helixtrans-62.8-19.3177-23.635.6000114.8A239 Q240 N243 R285A239-P287 HydrophobicContact CB-CB 4.34Å; A239-P287 HydrophobicContact CB-CG 4.2Å; Q240-P287 VanDerWaalsContact OE1-CG 3.31Å; N243-P287 HydrophobicContact CB-CB 3.88Å; N243-P287 PolarHBondContact ND2-O 2.89Å; N243-P287 PolarHBondContact OD1-O 3.49Å; N243-P287 VanDerWaalsContact OD1-O 3.13Å; R285-P287 VanDerWaalsContact C-N 3.29Å
288L88.9Confident86.2Confident14 Ų1462.6 Ų62.67%0.07331%0.308CS..G310 helixtrans-100.1-3.2-177.6-60.2176.4000113.1A239 L242 N243 M246 V275 R285 E286 P290 L291A239-L288 HydrophobicContact CB-CD1 3.97Å; A239-L288 HydrophobicContact CB-CG 4Å; L242-L288 HydrophobicContact CB-CD2 4.03Å; N243-L288 HydrophobicContact CB-CD2 4.48Å; M246-L288 HydrophobicContact CG-CD2 3.82Å; M246-L288 HydrophobicContact SD-CD2 4.14Å; V275-L288 HydrophobicContact CG1-CD1 4.22Å; R285-L288 PolarHBondContact O-N 2.99Å; E286-L288 PolarHBondContact O-N 3.3Å; E286-L288 VanDerWaalsContact O-N 3.12Å; L288-P290 VanDerWaalsContact C-N 3.28Å; L288-L291 HydrophobicContact CB-CD1 4.18Å; L288-L291 HydrophobicContact CD2-CD1 4.29Å; L288-L291 VanDerWaalsContact O-CB 3.26Å; L288-L291 WeakPolarHBondContact O-CB 3.47Å; L288-L291 WeakPolarHBondContact O-CG 3.45Å; L288-L291 PolarHBondContact O-N 3.47Å
289L87.8Confident86.4Confident4 Ų462.9 Ų62.92%0.02131%0.312CS..G310 helixtrans-55.6-32.9176.5-65.1178.9000114.4E286 L291 L292 H337 Y340 Q342 L343E286-L289 HydrophobicContact CB-CD1 4.5Å; E286-L289 HydrophobicContact CG-CD1 4.13Å; E286-L289 WeakPolarHBondContact O-CB 3.45Å; E286-L289 WeakPolarHBondContact O-CG 3.46Å; E286-L289 PolarHBondContact O-N 3.35Å; L289-L291 PolarHBondContact O-N 2.98Å; L289-L292 HydrophobicContact CD2-CD1 4.35Å; L289-L292 WeakPolarHBondContact O-CB 3.05Å; L289-L292 PolarHBondContact O-N 3.13Å; L289-H337 HydrophobicContact CD2-CB 3.7Å; L289-Y340 HydrophobicContact CD1-CD1 3.72Å; L289-Y340 HydrophobicContact CD1-CD2 4.49Å; L289-Y340 HydrophobicContact CD1-CE1 4.5Å; L289-Y340 HydrophobicContact CD1-CG 3.72Å; L289-Q342 HydrophobicContact CD1-CB 4.5Å; L289-L343 HydrophobicContact CB-CD2 4.17Å; L289-L343 HydrophobicContact CB-CG 4.41Å; L289-L343 HydrophobicContact CD2-CD1 4.35Å; L289-L343 WeakPolarHBondContact O-CD2 3.47Å
290P87.1Confident87.4Confident67 Ų6754.3 Ų54.344%0.43528%0.275SS..G310 helixtrans-57.7-15.2173.1-26.736.5000114.5L288 L292 S293 Y296L288-P290 VanDerWaalsContact C-N 3.28Å; P290-L292 PolarHBondContact O-N 3.3Å; P290-S293 VanDerWaalsContact O-CB 3.29Å; P290-S293 WeakPolarHBondContact O-CB 3.36Å; P290-S293 PolarHBondContact O-N 3.46Å; P290-Y296 WeakPolarHBondContact O-CD2 3.49Å; P290-Y296 WeakPolarHBondContact O-CE2 3.43Å
291L87.8Confident88.5Confident14 Ų1452.4 Ų52.47%0.07326%0.255CS..G310 helixtrans-72.7-12.8172.8-61.3175.9000113.6M246 V275 F276 L288 L289 S293 Y296M246-L291 HydrophobicContact CB-CD2 4.2Å; M246-L291 HydrophobicContact CG-CD1 4.27Å; M246-L291 HydrophobicContact CG-CD2 4.12Å; M246-L291 HydrophobicContact CG-CG 4.46Å; M246-L291 HydrophobicContact SD-CD1 3.79Å; M246-L291 HydrophobicContact SD-CD2 4.13Å; M246-L291 HydrophobicContact SD-CG 4.47Å; V275-L291 HydrophobicContact CG1-CD1 3.45Å; V275-L291 VanDerWaalsContact CG1-CD1 3.45Å; F276-L291 HydrophobicContact CE1-CB 4.13Å; F276-L291 HydrophobicContact CZ-CB 4.19Å; L288-L291 HydrophobicContact CB-CD1 4.18Å; L288-L291 HydrophobicContact CD2-CD1 4.29Å; L288-L291 VanDerWaalsContact O-CB 3.26Å; L288-L291 WeakPolarHBondContact O-CB 3.47Å; L288-L291 WeakPolarHBondContact O-CG 3.45Å; L288-L291 PolarHBondContact O-N 3.47Å; L289-L291 PolarHBondContact O-N 2.98Å; L291-S293 PolarHBondContact O-N 3.41Å; L291-Y296 HydrophobicContact CD2-CD1 3.83Å; L291-Y296 HydrophobicContact CD2-CD2 4.49Å; L291-Y296 HydrophobicContact CD2-CE1 3.86Å; L291-Y296 HydrophobicContact CD2-CE2 4.49Å; L291-Y296 HydrophobicContact CD2-CG 4.17Å; L291-Y296 WeakPolarHBondContact O-CB 3.49Å
292L90.4Very high89.3Confident3 Ų352.5 Ų52.52%0.01625%0.252CS..G310 helixtrans-89.316172.6-64.4172.6000112F276 L289 P290 V330 L343 V350F276-L292 HydrophobicContact CD1-CD2 4.13Å; F276-L292 HydrophobicContact CE1-CD2 3.71Å; F276-L292 HydrophobicContact CE1-CG 4.36Å; L289-L292 HydrophobicContact CD2-CD1 4.35Å; L289-L292 WeakPolarHBondContact O-CB 3.05Å; L289-L292 PolarHBondContact O-N 3.13Å; P290-L292 PolarHBondContact O-N 3.3Å; L292-V330 HydrophobicContact CD2-CG1 4.05Å; L292-L343 HydrophobicContact CB-CD2 3.81Å; L292-L343 HydrophobicContact CD1-CD1 4.07Å; L292-L343 HydrophobicContact CD1-CD2 4.36Å; L292-V350 VanDerWaalsContact O-CG2 3.3Å; L292-V350 WeakPolarHBondContact O-CG2 3.35Å
293S90.8Very high90.1Very high16 Ų1648 Ų4811%0.11223%0.233CC..SBendtrans-80.4158.5171.9127.40000111.2P290 L291 N295 Y296 V297 E346P290-S293 VanDerWaalsContact O-CB 3.29Å; P290-S293 WeakPolarHBondContact O-CB 3.36Å; P290-S293 PolarHBondContact O-N 3.46Å; L291-S293 PolarHBondContact O-N 3.41Å; S293-N295 PolarHBondContact O-N 3.05Å; S293-N295 PolarHBondContact OG-N 3.24Å; S293-Y296 PolarHBondContact O-N 3.23Å; S293-V297 WeakPolarHBondContact O-CG2 3.38Å; S293-V297 PolarHBondContact O-N 2.63Å; S293-E346 WeakPolarHBondContact CA-OE2 3.45Å; S293-E346 WeakPolarHBondContact CB-OE2 3.44Å; S293-E346 PolarHBondContact OG-OE2 3.37Å
294L91Very high91Very high59 Ų5938.3 Ų38.331%0.30920%0.196SC..Hα-helixtrans-57.4-36.1-178.8-168.268.8000112Y296 V297 Q298 E346 V350 L353L294-Y296 PolarHBondContact O-N 2.99Å; L294-V297 PolarHBondContact O-N 2.83Å; L294-Q298 WeakPolarHBondContact O-CB 3.18Å; L294-Q298 PolarHBondContact O-N 3.29Å; L294-E346 PolarHBondContact N-OE2 3.44Å; L294-V350 HydrophobicContact CB-CG2 4.36Å; L294-L353 HydrophobicContact CD1-CB 4.47Å; L294-L353 HydrophobicContact CD1-CD2 3.77Å
295N89.3Confident91.7Very high121 Ų12136 Ų3665%0.64718%0.182SC*.Hα-helixtrans-60.3-28.6179.5-67.2-31.5000112.8S293 P299S293-N295 PolarHBondContact O-N 3.05Å; S293-N295 PolarHBondContact OG-N 3.24Å; N295-P299 WeakPolarHBondContact O-CD 3.5Å
296Y91.1Very high92.2Very high53 Ų5341 Ų4121%0.20821%0.206CC..Hα-helixtrans-96.3-37.6-178.5-66.5-77.7000112.6S250 H254 P290 L291 S293 L294 P299S250-Y296 VanDerWaalsContact CB-CE1 3.48Å; S250-Y296 WeakPolarHBondContact OG-CD1 3.36Å; S250-Y296 VanDerWaalsContact OG-CE1 3.29Å; S250-Y296 WeakPolarHBondContact OG-CE1 3.47Å; H254-Y296 PolarHBondContact NE2-O 3.47Å; P290-Y296 WeakPolarHBondContact O-CD2 3.49Å; P290-Y296 WeakPolarHBondContact O-CE2 3.43Å; L291-Y296 HydrophobicContact CD2-CD1 3.83Å; L291-Y296 HydrophobicContact CD2-CD2 4.49Å; L291-Y296 HydrophobicContact CD2-CE1 3.86Å; L291-Y296 HydrophobicContact CD2-CE2 4.49Å; L291-Y296 HydrophobicContact CD2-CG 4.17Å; L291-Y296 WeakPolarHBondContact O-CB 3.49Å; S293-Y296 PolarHBondContact O-N 3.23Å; L294-Y296 PolarHBondContact O-N 2.99Å; Y296-P299 WeakPolarHBondContact O-CD 3.27Å
297V94.7Very high92.6Very high2 Ų238.6 Ų38.61%0.01220%0.195CC..Hα-helixtrans-79.9-33.3-176.8179.60000111.9S293 L294 I300 V301 V330 V350 L353 L354S293-V297 WeakPolarHBondContact O-CG2 3.38Å; S293-V297 PolarHBondContact O-N 2.63Å; L294-V297 PolarHBondContact O-N 2.83Å; V297-I300 PolarHBondContact O-N 3.36Å; V297-V301 HydrophobicContact CG1-CG2 4.05Å; V297-V301 WeakPolarHBondContact O-CG2 3.47Å; V297-V301 PolarHBondContact O-N 3.17Å; V297-V330 HydrophobicContact CG1-CG1 4.03Å; V297-V330 HydrophobicContact CG2-CG1 3.85Å; V297-V350 HydrophobicContact CB-CG1 4.4Å; V297-V350 HydrophobicContact CG1-CG1 4.3Å; V297-V350 HydrophobicContact CG2-CG1 4.12Å; V297-L353 HydrophobicContact CG1-CD2 4.11Å; V297-L354 HydrophobicContact CG1-CD2 3.98Å
298Q95.2Very high92.9Very high55 Ų5537.8 Ų37.826%0.25719%0.191SC..Hα-helixtrans-61-45-176-173.170.862.300113.8L294 I300 V301 N302 L353L294-Q298 WeakPolarHBondContact O-CB 3.18Å; L294-Q298 PolarHBondContact O-N 3.29Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.32Å; Q298-V301 PolarHBondContact O-N 2.83Å; Q298-N302 PolarHBondContact NE2-OD1 3.28Å; Q298-N302 WeakPolarHBondContact O-CB 3.3Å; Q298-N302 PolarHBondContact O-N 3.06Å; Q298-N302 PolarHBondContact O-ND2 3.34Å; Q298-N302 PolarHBondContact O-OD1 3.33Å; Q298-L353 HydrophobicContact CB-CD2 4.31Å
299P94.2Very high93.1Very high24 Ų2441.2 Ų41.216%0.15622%0.216CC..Hα-helixtrans-57.7-43.3175.4-26.136000113N295 Y296 V301 N302 V303N295-P299 WeakPolarHBondContact O-CD 3.5Å; Y296-P299 WeakPolarHBondContact O-CD 3.27Å; P299-V301 VanDerWaalsContact C-N 3.35Å; P299-V301 PolarHBondContact O-N 3.19Å; P299-N302 PolarHBondContact O-N 3.48Å; P299-V303 WeakPolarHBondContact O-CG2 3.25Å; P299-V303 PolarHBondContact O-N 3.34Å
300I96.1Very high93.3Very high2 Ų246 Ų461%0.0124%0.238CC..Hα-helixtrans-59.7-47.5177.6-58.3172.1000110.2L257 L272 F276 V297 Q298 N302 V303 L304 V323 L326 V330L257-I300 HydrophobicContact CD2-CG1 4.35Å; L272-I300 HydrophobicContact CD1-CD1 4.31Å; L272-I300 HydrophobicContact CD1-CG1 4.31Å; F276-I300 HydrophobicContact CE2-CD1 4.4Å; V297-I300 PolarHBondContact O-N 3.36Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.32Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 3.32Å; I300-V303 PolarHBondContact O-N 2.91Å; I300-L304 WeakPolarHBondContact O-CB 3.33Å; I300-L304 PolarHBondContact O-N 3.31Å; I300-V323 HydrophobicContact CG2-CG1 4.26Å; I300-L326 HydrophobicContact CD1-CD2 4.09Å; I300-L326 HydrophobicContact CD1-CG 4.4Å; I300-L326 HydrophobicContact CG1-CD2 4.26Å; I300-L326 HydrophobicContact CG2-CD2 3.71Å; I300-L326 HydrophobicContact CG2-CG 3.95Å; I300-V330 HydrophobicContact CD1-CG2 4.34Å
301V96.9Very high93.4Very high0 Ų046.5 Ų46.50%025%0.248CC..Hα-helixtrans-64.7-37.9178.8170.20000111.9V297 Q298 P299 L304 R305 F327 L353 T357V297-V301 HydrophobicContact CG1-CG2 4.05Å; V297-V301 WeakPolarHBondContact O-CG2 3.47Å; V297-V301 PolarHBondContact O-N 3.17Å; Q298-V301 PolarHBondContact O-N 2.83Å; P299-V301 VanDerWaalsContact C-N 3.35Å; P299-V301 PolarHBondContact O-N 3.19Å; V301-L304 PolarHBondContact O-N 3.17Å; V301-R305 HydrophobicContact CG1-CG 4.33Å; V301-R305 WeakPolarHBondContact O-CB 3.08Å; V301-R305 WeakPolarHBondContact O-CG 3.5Å; V301-R305 PolarHBondContact O-N 3.29Å; V301-F327 HydrophobicContact CG2-CD2 4.17Å; V301-F327 HydrophobicContact CG2-CE2 4.23Å; V301-L353 HydrophobicContact CB-CD1 4.49Å; V301-L353 HydrophobicContact CB-CD2 4.27Å; V301-L353 HydrophobicContact CB-CG 4.43Å; V301-L353 HydrophobicContact CG1-CD1 3.88Å; V301-L353 HydrophobicContact CG1-CG 4.2Å; V301-L353 HydrophobicContact CG2-CD2 3.99Å; V301-L353 HydrophobicContact CG2-CG 4.12Å; V301-T357 HydrophobicContact CG1-CG2 4.07Å; V301-T357 VanDerWaalsContact CG1-OG1 3.23Å; V301-T357 WeakPolarHBondContact CG1-OG1 3.43Å
302N96Very high93.6Very high77 Ų7749.7 Ų49.741%0.41226%0.26SS..Hα-helixtrans-63.2-45.7177.7-69.9-13.2000111.4Q298 P299 I300 R305 K306Q298-N302 PolarHBondContact NE2-OD1 3.28Å; Q298-N302 WeakPolarHBondContact O-CB 3.3Å; Q298-N302 PolarHBondContact O-N 3.06Å; Q298-N302 PolarHBondContact O-ND2 3.34Å; Q298-N302 PolarHBondContact O-OD1 3.33Å; P299-N302 PolarHBondContact O-N 3.48Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 3.32Å; N302-R305 PolarHBondContact O-N 3.22Å; N302-K306 WeakPolarHBondContact O-CB 3.18Å; N302-K306 PolarHBondContact O-N 2.89Å
303V96.3Very high93.6Very high14 Ų1452.6 Ų52.69%0.08528%0.275CS..Hα-helixtrans-62-46.4175.8173.90000110.4L257 E258 P299 I300 R305 K306 L307 V323L257-V303 HydrophobicContact CD2-CB 4.36Å; L257-V303 HydrophobicContact CD2-CG2 4.18Å; L257-V303 HydrophobicContact CG-CB 4.4Å; L257-V303 HydrophobicContact CG-CG1 4.16Å; L257-V303 HydrophobicContact CG-CG2 4.13Å; E258-V303 HydrophobicContact CG-CG2 3.79Å; P299-V303 WeakPolarHBondContact O-CG2 3.25Å; P299-V303 PolarHBondContact O-N 3.34Å; I300-V303 PolarHBondContact O-N 2.91Å; V303-R305 PolarHBondContact O-N 3.3Å; V303-K306 WeakPolarHBondContact O-CB 3.27Å; V303-K306 PolarHBondContact O-N 2.93Å; V303-L307 HydrophobicContact CG1-CD1 3.73Å; V303-L307 HydrophobicContact CG1-CG 4.27Å; V303-L307 VanDerWaalsContact O-CG 3.32Å; V303-L307 WeakPolarHBondContact O-CG 3.49Å; V303-L307 PolarHBondContact O-N 3.43Å; V303-V323 HydrophobicContact CG1-CG2 4.36Å
304L97.2Very high93.7Very high0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-57.5-48.3178.4-17757.7000112.2I300 V301 K306 L307 A308 F320 V323 L324 F327 T357 L361I300-L304 WeakPolarHBondContact O-CB 3.33Å; I300-L304 PolarHBondContact O-N 3.31Å; V301-L304 PolarHBondContact O-N 3.17Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.31Å; L304-L307 PolarHBondContact O-N 3.13Å; L304-A308 VanDerWaalsContact O-CB 3.3Å; L304-A308 WeakPolarHBondContact O-CB 3.33Å; L304-A308 PolarHBondContact O-N 3.34Å; L304-F320 HydrophobicContact CD1-CD2 3.67Å; L304-F320 HydrophobicContact CD1-CE2 3.58Å; L304-V323 HydrophobicContact CB-CG1 3.85Å; L304-V323 HydrophobicContact CD1-CB 4.29Å; L304-V323 HydrophobicContact CD1-CG1 4.14Å; L304-L324 HydrophobicContact CD1-CB 4.06Å; L304-L324 HydrophobicContact CD1-CD1 4.41Å; L304-L324 HydrophobicContact CD2-CD1 4.25Å; L304-F327 HydrophobicContact CD2-CB 3.66Å; L304-F327 HydrophobicContact CD2-CD1 4.32Å; L304-F327 HydrophobicContact CD2-CD2 3.89Å; L304-F327 HydrophobicContact CD2-CG 3.7Å; L304-T357 HydrophobicContact CD2-CG2 4.19Å; L304-L361 HydrophobicContact CD2-CD1 4.02Å; L304-L361 HydrophobicContact CG-CD2 4.4Å
305R96.2Very high93.8Very high74 Ų7459.9 Ų59.928%0.27931%0.309SS..Hα-helixtrans-64.3-38.9179.3-72.3178.6-177.5-176.8-0.1112.1V301 N302 V303 S309 T357 F360V301-R305 HydrophobicContact CG1-CG 4.33Å; V301-R305 WeakPolarHBondContact O-CB 3.08Å; V301-R305 WeakPolarHBondContact O-CG 3.5Å; V301-R305 PolarHBondContact O-N 3.29Å; N302-R305 PolarHBondContact O-N 3.22Å; V303-R305 PolarHBondContact O-N 3.3Å; R305-S309 PolarHBondContact O-N 2.99Å; R305-S309 PolarHBondContact O-OG 3.3Å; R305-T357 HydrophobicContact CG-CG2 4.34Å; R305-T357 PolarHBondContact NE-OG1 3.27Å; R305-T357 PolarHBondContact NH2-OG1 3.27Å; R305-F360 HydrophobicContact CB-CE1 4.22Å; R305-F360 HydrophobicContact CG-CD1 4.05Å; R305-F360 HydrophobicContact CG-CE1 4.04Å
306K95.2Very high94Very high162 Ų16254.9 Ų54.970%0.70428%0.283SS*.Hα-helixtrans-61.2-47.2175.2-178.3-177.3174.6-172.30111.1N302 V303 L304 S309N302-K306 WeakPolarHBondContact O-CB 3.18Å; N302-K306 PolarHBondContact O-N 2.89Å; V303-K306 WeakPolarHBondContact O-CB 3.27Å; V303-K306 PolarHBondContact O-N 2.93Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.31Å; K306-S309 PolarHBondContact O-N 3.36Å
307L95Very high94.2Very high23 Ų2353 Ų5312%0.1228%0.276CS..Hα-helixtrans-65.1-43.3178.8-68.6168.9000112V303 L304 S309 H310 T316 L319 F320 V323V303-L307 HydrophobicContact CG1-CD1 3.73Å; V303-L307 HydrophobicContact CG1-CG 4.27Å; V303-L307 VanDerWaalsContact O-CG 3.32Å; V303-L307 WeakPolarHBondContact O-CG 3.49Å; V303-L307 PolarHBondContact O-N 3.43Å; L304-L307 PolarHBondContact O-N 3.13Å; L307-S309 PolarHBondContact O-N 3.46Å; L307-S309 VanDerWaalsContact O-N 3.16Å; L307-H310 VanDerWaalsContact O-CB 3.24Å; L307-H310 WeakPolarHBondContact O-CB 3.45Å; L307-H310 PolarHBondContact O-N 2.9Å; L307-T316 HydrophobicContact CD2-CG2 3.78Å; L307-L319 HydrophobicContact CD1-CD2 4.13Å; L307-L319 HydrophobicContact CD1-CG 3.81Å; L307-L319 HydrophobicContact CD2-CD2 4Å; L307-L319 HydrophobicContact CD2-CG 4.34Å; L307-F320 HydrophobicContact CB-CB 4.05Å; L307-F320 HydrophobicContact CB-CD2 4.16Å; L307-V323 HydrophobicContact CD1-CB 4.31Å; L307-V323 HydrophobicContact CD1-CG2 3.94Å
308A93.6Very high94.1Very high9 Ų955.8 Ų55.87%0.07429%0.29CS..Hα-helixtrans-62.2-20.6176.500000114.1L304 F320 F360 L361 H364L304-A308 VanDerWaalsContact O-CB 3.3Å; L304-A308 WeakPolarHBondContact O-CB 3.33Å; L304-A308 PolarHBondContact O-N 3.34Å; A308-F320 HydrophobicContact CB-CD2 4.1Å; A308-F320 HydrophobicContact CB-CE2 3.67Å; A308-F360 HydrophobicContact CB-CE1 3.66Å; A308-F360 HydrophobicContact CB-CZ 4.25Å; A308-L361 HydrophobicContact CB-CD2 4.16Å; A308-H364 PolarHBondContact O-CD2 2.88Å; A308-H364 VanDerWaalsContact O-CD2 3.31Å
309S93Very high94.2Very high86 Ų8653.5 Ų53.560%0.60128%0.28SS*.THydrogen-bonded Turntrans-94.6-1.8178.6-50.80000112.3R305 K306 L307R305-S309 PolarHBondContact O-N 2.99Å; R305-S309 PolarHBondContact O-OG 3.3Å; K306-S309 PolarHBondContact O-N 3.36Å; L307-S309 PolarHBondContact O-N 3.46Å; L307-S309 VanDerWaalsContact O-N 3.16Å
310H91.3Very high94.3Very high104 Ų10452.8 Ų52.848%0.48127%0.274SS..SBendtrans-82.2145.9-177.5-158.9-81.7000110.7L307 T316L307-H310 VanDerWaalsContact O-CB 3.24Å; L307-H310 WeakPolarHBondContact O-CB 3.45Å; L307-H310 PolarHBondContact O-N 2.9Å; H310-T316 HydrophobicContact CB-CG2 4.16Å
311A90.3Very high94.3Very high78 Ų7856.2 Ų56.265%0.64529%0.289SS*.PPolyproline II helixtrans-62.5153.3170.200000110.4D313A311-D313 PolarHBondContact O-N 2.89Å
312Y91.3Very high94.2Very high82 Ų8257.3 Ų57.332%0.32230%0.298SS..PPolyproline II helixtrans-57.3125.6-178.2-178.9-91.9000111.8Y317 T380 F381 A384Y312-Y317 HydrophobicContact CD2-CD1 4.41Å; Y312-Y317 HydrophobicContact CD2-CG 4.43Å; Y312-Y317 AromaticContact CE2-CD1 3.81Å; Y312-Y317 HydrophobicContact CE2-CD1 3.81Å; Y312-Y317 HydrophobicContact CE2-CE1 4.48Å; Y312-Y317 HydrophobicContact CE2-CG 4.19Å; Y312-T380 HydrophobicContact CD1-CG2 3.3Å; Y312-T380 HydrophobicContact CD2-CG2 3.95Å; Y312-T380 HydrophobicContact CE1-CG2 3.74Å; Y312-T380 HydrophobicContact CE2-CG2 4.33Å; Y312-T380 HydrophobicContact CG-CG2 3.41Å; Y312-T380 VanDerWaalsContact CG-CG2 3.41Å; Y312-F381 AromaticContact CD2-CD1 3.68Å; Y312-F381 HydrophobicContact CD2-CD1 3.68Å; Y312-F381 HydrophobicContact CD2-CD2 4.47Å; Y312-F381 AromaticContact CD2-CE1 3.81Å; Y312-F381 HydrophobicContact CD2-CE1 3.81Å; Y312-F381 HydrophobicContact CD2-CG 4.04Å; Y312-F381 HydrophobicContact CD2-CZ 4.28Å; Y312-F381 HydrophobicContact CE2-CD1 4.43Å; Y312-A384 HydrophobicContact CE2-CB 3.66Å; Y312-A384 WeakPolarHBondContact OH-CB 3.35Å
313D92Very high94.3Very high64 Ų6453.7 Ų53.734%0.34228%0.279SS..  trans-147.8130.1168.1163.671.6000105.9A311 N315 T316 Y317A311-D313 PolarHBondContact O-N 2.89Å; D313-N315 VanDerWaalsContact C-N 3.33Å; D313-N315 PolarHBondContact O-N 3.15Å; D313-N315 PolarHBondContact OD2-N 2.87Å; D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 VanDerWaalsContact O-N 3.15Å; D313-T316 WeakPolarHBondContact OD2-CB 3.48Å; D313-T316 PolarHBondContact OD2-N 3.12Å; D313-T316 PolarHBondContact OD2-OG1 2.9Å; D313-Y317 WeakPolarHBondContact O-CB 3.46Å; D313-Y317 PolarHBondContact O-N 3.38Å
314E91.9Very high94.3Very high130 Ų13055.9 Ų55.961%0.60729%0.29SS*.Hα-helixtrans-55.6-46.7-170.3-173.6179177.800112Y317 D318E314-Y317 PolarHBondContact O-N 2.89Å; E314-D318 WeakPolarHBondContact O-CB 3.09Å; E314-D318 PolarHBondContact O-N 3.34Å
315N92.5Very high94.3Very high97 Ų9760.1 Ų60.152%0.51931%0.312SS..Hα-helixtrans-69-38.2-179.1-61-68.6000112.3L262 D313 L319L262-N315 HydrophobicContact CD1-CB 3.44Å; L262-N315 VanDerWaalsContact CD1-CB 3.44Å; D313-N315 VanDerWaalsContact C-N 3.33Å; D313-N315 PolarHBondContact O-N 3.15Å; D313-N315 PolarHBondContact OD2-N 2.87Å; N315-L319 PolarHBondContact O-N 3.31Å; N315-L319 VanDerWaalsContact O-N 3.14Å
316T93.7Very high94.3Very high17 Ų1756.6 Ų56.610%0.10430%0.299CS..Hα-helixtrans-69.6-37.4177.1-55.70000111.2L307 H310 D313 L319 F320L307-T316 HydrophobicContact CD2-CG2 3.78Å; H310-T316 HydrophobicContact CB-CG2 4.16Å; D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 VanDerWaalsContact O-N 3.15Å; D313-T316 WeakPolarHBondContact OD2-CB 3.48Å; D313-T316 PolarHBondContact OD2-N 3.12Å; D313-T316 PolarHBondContact OD2-OG1 2.9Å; T316-L319 PolarHBondContact O-N 3.08Å; T316-F320 PolarHBondContact O-N 3.44Å
317Y94.8Very high94.4Very high14 Ų1449.5 Ų49.56%0.05527%0.268CS..Hα-helixtrans-69.8-38.6177.1-170.7-132.5000111.8Y312 D313 E314 L319 F320 K321 S366 F381 A384 D385Y312-Y317 HydrophobicContact CD2-CD1 4.41Å; Y312-Y317 HydrophobicContact CD2-CG 4.43Å; Y312-Y317 AromaticContact CE2-CD1 3.81Å; Y312-Y317 HydrophobicContact CE2-CD1 3.81Å; Y312-Y317 HydrophobicContact CE2-CE1 4.48Å; Y312-Y317 HydrophobicContact CE2-CG 4.19Å; D313-Y317 WeakPolarHBondContact O-CB 3.46Å; D313-Y317 PolarHBondContact O-N 3.38Å; E314-Y317 PolarHBondContact O-N 2.89Å; Y317-L319 VanDerWaalsContact C-N 3.3Å; Y317-L319 PolarHBondContact O-N 3.44Å; Y317-F320 HydrophobicContact CD2-CB 4.33Å; Y317-F320 AromaticContact CD2-CD1 3.68Å; Y317-F320 HydrophobicContact CD2-CD1 3.68Å; Y317-F320 HydrophobicContact CD2-CE1 4.47Å; Y317-F320 HydrophobicContact CD2-CG 4.37Å; Y317-F320 AromaticContact CE2-CD1 3.49Å; Y317-F320 HydrophobicContact CE2-CD1 3.49Å; Y317-F320 VanDerWaalsContact CE2-CD1 3.49Å; Y317-F320 AromaticContact CE2-CE1 3.86Å; Y317-F320 HydrophobicContact CE2-CE1 3.86Å; Y317-F320 WeakPolarHBondContact O-CB 3.48Å; Y317-F320 PolarHBondContact O-N 3.34Å; Y317-F320 VanDerWaalsContact O-N 3.16Å; Y317-K321 HydrophobicContact CE1-CD 4.46Å; Y317-K321 WeakPolarHBondContact O-CG 3.33Å; Y317-K321 PolarHBondContact O-N 3Å; Y317-S366 WeakPolarHBondContact OH-CB 3.39Å; Y317-F381 HydrophobicContact CD1-CD1 4.44Å; Y317-F381 AromaticContact CD2-CD1 3.7Å; Y317-F381 HydrophobicContact CD2-CD1 3.7Å; Y317-F381 AromaticContact CD2-CE1 3.76Å; Y317-F381 HydrophobicContact CD2-CE1 3.76Å; Y317-F381 HydrophobicContact CE1-CD1 4.26Å; Y317-F381 AromaticContact CE2-CD1 3.54Å; Y317-F381 HydrophobicContact CE2-CD1 3.54Å; Y317-F381 AromaticContact CE2-CE1 3.99Å; Y317-F381 HydrophobicContact CE2-CE1 3.99Å; Y317-F381 HydrophobicContact CG-CD1 4.19Å; Y317-F381 HydrophobicContact CG-CE1 4.34Å; Y317-F381 AromaticContact CZ-CD1 3.85Å; Y317-A384 HydrophobicContact CD1-CB 4.4Å; Y317-A384 HydrophobicContact CE1-CB 4.3Å; Y317-D385 WeakPolarHBondContact CE1-OD1 3.45Å; Y317-D385 WeakPolarHBondContact CE1-OD2 3.1Å; Y317-D385 PolarHBondContact OH-OD2 3.31Å
318D94.4Very high94.5Very high59 Ų5954.4 Ų54.432%0.31629%0.29SS..Hα-helixtrans-58.3-41.5169.9-96.411.4000112.7K266 E314 K321 A322K266-D318 IonicContact NZ-OD2 3.44Å; E314-D318 WeakPolarHBondContact O-CB 3.09Å; E314-D318 PolarHBondContact O-N 3.34Å; D318-K321 PolarHBondContact O-N 3.2Å; D318-A322 PolarHBondContact O-N 2.95Å; D318-A322 VanDerWaalsContact O-N 3.09Å
319L95.8Very high94.5Very high8 Ų854.7 Ų54.74%0.04229%0.292CS..Hα-helixtrans-67.4-41.5174.3-179.760.9000111.2L262 A265 K266 L307 N315 T316 Y317 K321 A322 V323L262-L319 HydrophobicContact CD2-CD2 3.59Å; A265-L319 HydrophobicContact CB-CD1 3.8Å; A265-L319 HydrophobicContact CB-CD2 3.71Å; A265-L319 HydrophobicContact CB-CG 4.44Å; K266-L319 HydrophobicContact CB-CD1 4.04Å; L307-L319 HydrophobicContact CD1-CD2 4.13Å; L307-L319 HydrophobicContact CD1-CG 3.81Å; L307-L319 HydrophobicContact CD2-CD2 4Å; L307-L319 HydrophobicContact CD2-CG 4.34Å; N315-L319 PolarHBondContact O-N 3.31Å; N315-L319 VanDerWaalsContact O-N 3.14Å; T316-L319 PolarHBondContact O-N 3.08Å; Y317-L319 VanDerWaalsContact C-N 3.3Å; Y317-L319 PolarHBondContact O-N 3.44Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 2.61Å; L319-A322 PolarHBondContact O-N 3.32Å; L319-V323 HydrophobicContact CD1-CG2 4.07Å; L319-V323 HydrophobicContact CG-CG2 4.38Å; L319-V323 WeakPolarHBondContact O-CG2 3.38Å; L319-V323 PolarHBondContact O-N 3.35Å
320F96.2Very high94.6Very high8 Ų850.7 Ų50.74%0.03526%0.263CS..Hα-helixtrans-54.1-49.2173.4166.5-102.9000111.2L304 L307 A308 T316 Y317 A322 V323 L324 L361L304-F320 HydrophobicContact CD1-CD2 3.67Å; L304-F320 HydrophobicContact CD1-CE2 3.58Å; L307-F320 HydrophobicContact CB-CB 4.05Å; L307-F320 HydrophobicContact CB-CD2 4.16Å; A308-F320 HydrophobicContact CB-CD2 4.1Å; A308-F320 HydrophobicContact CB-CE2 3.67Å; T316-F320 PolarHBondContact O-N 3.44Å; Y317-F320 HydrophobicContact CD2-CB 4.33Å; Y317-F320 AromaticContact CD2-CD1 3.68Å; Y317-F320 HydrophobicContact CD2-CD1 3.68Å; Y317-F320 HydrophobicContact CD2-CE1 4.47Å; Y317-F320 HydrophobicContact CD2-CG 4.37Å; Y317-F320 AromaticContact CE2-CD1 3.49Å; Y317-F320 HydrophobicContact CE2-CD1 3.49Å; Y317-F320 VanDerWaalsContact CE2-CD1 3.49Å; Y317-F320 AromaticContact CE2-CE1 3.86Å; Y317-F320 HydrophobicContact CE2-CE1 3.86Å; Y317-F320 WeakPolarHBondContact O-CB 3.48Å; Y317-F320 PolarHBondContact O-N 3.34Å; Y317-F320 VanDerWaalsContact O-N 3.16Å; F320-A322 VanDerWaalsContact C-N 3.35Å; F320-A322 PolarHBondContact O-N 3.14Å; F320-V323 PolarHBondContact O-N 2.99Å; F320-L324 HydrophobicContact CE1-CD2 4.09Å; F320-L324 HydrophobicContact CZ-CD2 4.03Å; F320-L324 VanDerWaalsContact O-CB 3.28Å; F320-L324 WeakPolarHBondContact O-CB 3.28Å; F320-L324 PolarHBondContact O-N 3.42Å; F320-L361 HydrophobicContact CE2-CD2 3.84Å; F320-L361 HydrophobicContact CZ-CD2 4.02Å
321K95.8Very high94.8Very high75 Ų7547.3 Ų47.333%0.32625%0.254SS..Hα-helixtrans-58.9-43.9176.8-69.7176.3-176.5173.80112.1Y317 D318 L319 V323 L324 L325 D385Y317-K321 HydrophobicContact CE1-CD 4.46Å; Y317-K321 WeakPolarHBondContact O-CG 3.33Å; Y317-K321 PolarHBondContact O-N 3Å; D318-K321 PolarHBondContact O-N 3.2Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 2.61Å; K321-V323 PolarHBondContact O-N 3.2Å; K321-L324 PolarHBondContact O-N 3.02Å; K321-L325 PolarHBondContact O-N 3.29Å; K321-D385 WeakPolarHBondContact CE-OD1 3.34Å; K321-D385 IonicContact NZ-OD1 3.42Å; K321-D385 PolarHBondContact NZ-OD1 3.25Å
322A96.4Very high94.9Very high23 Ų2347.2 Ų47.219%0.1925%0.248CC..Hα-helixtrans-62.8-42.6178.300000112.5K266 A269 D318 L319 F320 L325 L326K266-A322 HydrophobicContact CG-CB 4.13Å; A269-A322 HydrophobicContact CB-CB 4.46Å; D318-A322 PolarHBondContact O-N 2.95Å; D318-A322 VanDerWaalsContact O-N 3.09Å; L319-A322 PolarHBondContact O-N 3.32Å; F320-A322 VanDerWaalsContact C-N 3.35Å; F320-A322 PolarHBondContact O-N 3.14Å; A322-L325 PolarHBondContact O-N 3.09Å; A322-L326 PolarHBondContact O-N 3.38Å; A322-L326 VanDerWaalsContact O-N 3.16Å
323V97.2Very high94.9Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-72.9-32177.3-1770000111.5L257 A269 I300 V303 L304 L307 L319 F320 K321 L326 F327L257-V323 HydrophobicContact CD1-CG2 3.99Å; A269-V323 HydrophobicContact CB-CG2 4.14Å; I300-V323 HydrophobicContact CG2-CG1 4.26Å; V303-V323 HydrophobicContact CG1-CG2 4.36Å; L304-V323 HydrophobicContact CB-CG1 3.85Å; L304-V323 HydrophobicContact CD1-CB 4.29Å; L304-V323 HydrophobicContact CD1-CG1 4.14Å; L307-V323 HydrophobicContact CD1-CB 4.31Å; L307-V323 HydrophobicContact CD1-CG2 3.94Å; L319-V323 HydrophobicContact CD1-CG2 4.07Å; L319-V323 HydrophobicContact CG-CG2 4.38Å; L319-V323 WeakPolarHBondContact O-CG2 3.38Å; L319-V323 PolarHBondContact O-N 3.35Å; F320-V323 PolarHBondContact O-N 2.99Å; K321-V323 PolarHBondContact O-N 3.2Å; V323-L326 WeakPolarHBondContact O-CB 3.39Å; V323-L326 PolarHBondContact O-N 3.32Å; V323-F327 PolarHBondContact O-N 3.45Å
324L96.8Very high94.9Very high61 Ų6141.1 Ų41.132%0.31922%0.222SC..Hα-helixtrans-64.5-41.2173.5-177.761.7000111.5L304 F320 K321 L326 F327 Q328 L361L304-L324 HydrophobicContact CD1-CB 4.06Å; L304-L324 HydrophobicContact CD1-CD1 4.41Å; L304-L324 HydrophobicContact CD2-CD1 4.25Å; F320-L324 HydrophobicContact CE1-CD2 4.09Å; F320-L324 HydrophobicContact CZ-CD2 4.03Å; F320-L324 VanDerWaalsContact O-CB 3.28Å; F320-L324 WeakPolarHBondContact O-CB 3.28Å; F320-L324 PolarHBondContact O-N 3.42Å; K321-L324 PolarHBondContact O-N 3.02Å; L324-L326 VanDerWaalsContact C-N 3.34Å; L324-F327 HydrophobicContact CD1-CD1 4.36Å; L324-F327 WeakPolarHBondContact O-CB 3.47Å; L324-F327 PolarHBondContact O-N 3.04Å; L324-Q328 PolarHBondContact O-N 2.89Å; L324-L361 HydrophobicContact CD1-CD1 3.64Å
325L96.6Very high94.8Very high89 Ų8939.2 Ų39.247%0.46622%0.223SC..Hα-helixtrans-62.2-42.1173.4-176.964.6000111.6K321 A322 F327 Q328 S329K321-L325 PolarHBondContact O-N 3.29Å; A322-L325 PolarHBondContact O-N 3.09Å; L325-F327 VanDerWaalsContact C-N 3.35Å; L325-F327 PolarHBondContact O-N 3Å; L325-Q328 WeakPolarHBondContact O-CB 3.49Å; L325-Q328 PolarHBondContact O-N 3.49Å; L325-S329 PolarHBondContact O-N 3.34Å; L325-S329 PolarHBondContact O-OG 2.86Å
326L96.5Very high94.6Very high0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-59.8-45172.8169.260.5000111.5A269 L272 N273 F276 I300 A322 V323 L324 Q328 S329 V330A269-L326 HydrophobicContact CB-CD2 4.43Å; L272-L326 HydrophobicContact CB-CD1 3.66Å; L272-L326 HydrophobicContact CB-CD2 3.68Å; L272-L326 HydrophobicContact CB-CG 4.35Å; L272-L326 HydrophobicContact CD1-CD2 3.75Å; L272-L326 HydrophobicContact CG-CD2 4.37Å; N273-L326 HydrophobicContact CB-CD1 4.23Å; F276-L326 HydrophobicContact CD2-CD1 3.77Å; F276-L326 HydrophobicContact CE2-CD1 4.13Å; I300-L326 HydrophobicContact CD1-CD2 4.09Å; I300-L326 HydrophobicContact CD1-CG 4.4Å; I300-L326 HydrophobicContact CG1-CD2 4.26Å; I300-L326 HydrophobicContact CG2-CD2 3.71Å; I300-L326 HydrophobicContact CG2-CG 3.95Å; A322-L326 PolarHBondContact O-N 3.38Å; A322-L326 VanDerWaalsContact O-N 3.16Å; V323-L326 WeakPolarHBondContact O-CB 3.39Å; V323-L326 PolarHBondContact O-N 3.32Å; L324-L326 VanDerWaalsContact C-N 3.34Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; L326-Q328 PolarHBondContact O-N 2.86Å; L326-S329 WeakPolarHBondContact O-CB 3.32Å; L326-S329 PolarHBondContact O-N 3.18Å; L326-S329 VanDerWaalsContact O-N 3.14Å; L326-V330 HydrophobicContact CD1-CG2 4.25Å; L326-V330 WeakPolarHBondContact O-CG2 3.25Å; L326-V330 PolarHBondContact O-N 3.35Å
327F97.3Very high94.4Very high12 Ų1235.9 Ų35.95%0.05321%0.208CC..Hα-helixtrans-58.4-42.1176.2170.6-90.7000112.1V301 L304 V323 L324 L325 S329 V330 A331 L354 T357 L361V301-F327 HydrophobicContact CG2-CD2 4.17Å; V301-F327 HydrophobicContact CG2-CE2 4.23Å; L304-F327 HydrophobicContact CD2-CB 3.66Å; L304-F327 HydrophobicContact CD2-CD1 4.32Å; L304-F327 HydrophobicContact CD2-CD2 3.89Å; L304-F327 HydrophobicContact CD2-CG 3.7Å; V323-F327 PolarHBondContact O-N 3.45Å; L324-F327 HydrophobicContact CD1-CD1 4.36Å; L324-F327 WeakPolarHBondContact O-CB 3.47Å; L324-F327 PolarHBondContact O-N 3.04Å; L325-F327 VanDerWaalsContact C-N 3.35Å; L325-F327 PolarHBondContact O-N 3Å; F327-S329 PolarHBondContact O-N 3.06Å; F327-V330 PolarHBondContact O-N 2.96Å; F327-A331 PolarHBondContact O-N 3.16Å; F327-L354 HydrophobicContact CD2-CD2 3.82Å; F327-L354 HydrophobicContact CE2-CB 4.29Å; F327-L354 HydrophobicContact CE2-CD2 3.3Å; F327-L354 HydrophobicContact CE2-CG 4.38Å; F327-L354 HydrophobicContact CZ-CB 4.23Å; F327-L354 HydrophobicContact CZ-CD2 3.96Å; F327-T357 HydrophobicContact CD2-CG2 4.38Å; F327-T357 HydrophobicContact CE2-CG2 3.77Å; F327-T357 HydrophobicContact CZ-CG2 4.09Å; F327-L361 HydrophobicContact CE1-CD1 4.36Å
328Q96.1Very high94.1Very high127 Ų12739.8 Ų39.859%0.59322%0.222SC*.Hα-helixtrans-60.5-44.4173.9-179.7-175.8-9.900111.7L324 L325 L326 V330 A331 S332L324-Q328 PolarHBondContact O-N 2.89Å; L325-Q328 WeakPolarHBondContact O-CB 3.49Å; L325-Q328 PolarHBondContact O-N 3.49Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; L326-Q328 PolarHBondContact O-N 2.86Å; Q328-V330 VanDerWaalsContact C-N 3.34Å; Q328-V330 PolarHBondContact O-N 2.69Å; Q328-A331 PolarHBondContact O-N 2.99Å; Q328-S332 WeakPolarHBondContact O-CB 3.31Å; Q328-S332 PolarHBondContact O-N 2.7Å
329S95.1Very high93.7Very high15 Ų1540.2 Ų40.211%0.10524%0.241CC..Hα-helixtrans-63.1-38.9177.4-660000112.6N273 T277 L325 L326 F327 S332 S333N273-S329 WeakPolarHBondContact OD1-CB 3.47Å; N273-S329 PolarHBondContact OD1-OG 3.38Å; T277-S329 VanDerWaalsContact CG2-OG 3.25Å; T277-S329 WeakPolarHBondContact CG2-OG 3.37Å; L325-S329 PolarHBondContact O-N 3.34Å; L325-S329 PolarHBondContact O-OG 2.86Å; L326-S329 WeakPolarHBondContact O-CB 3.32Å; L326-S329 PolarHBondContact O-N 3.18Å; L326-S329 VanDerWaalsContact O-N 3.14Å; F327-S329 PolarHBondContact O-N 3.06Å; S329-S332 PolarHBondContact O-N 3.48Å; S329-S333 VanDerWaalsContact O-CB 3.31Å; S329-S333 WeakPolarHBondContact O-CB 3.48Å; S329-S333 PolarHBondContact O-N 3.36Å
330V95.2Very high93.2Very high1 Ų142.3 Ų42.31%0.00625%0.249CC..Hα-helixtrans-61.6-481731730000110.6F276 L292 V297 I300 L326 F327 Q328 S332 S333 L334 L354F276-V330 HydrophobicContact CD1-CG2 4.27Å; F276-V330 HydrophobicContact CD2-CG2 3.73Å; F276-V330 HydrophobicContact CE1-CG2 4.16Å; F276-V330 HydrophobicContact CE2-CG2 3.62Å; F276-V330 HydrophobicContact CG-CG2 4.07Å; F276-V330 HydrophobicContact CZ-CG2 3.85Å; L292-V330 HydrophobicContact CD2-CG1 4.05Å; V297-V330 HydrophobicContact CG1-CG1 4.03Å; V297-V330 HydrophobicContact CG2-CG1 3.85Å; I300-V330 HydrophobicContact CD1-CG2 4.34Å; L326-V330 HydrophobicContact CD1-CG2 4.25Å; L326-V330 WeakPolarHBondContact O-CG2 3.25Å; L326-V330 PolarHBondContact O-N 3.35Å; F327-V330 PolarHBondContact O-N 2.96Å; Q328-V330 VanDerWaalsContact C-N 3.34Å; Q328-V330 PolarHBondContact O-N 2.69Å; V330-S332 PolarHBondContact O-N 2.87Å; V330-S333 PolarHBondContact O-N 2.94Å; V330-L334 PolarHBondContact O-N 3.16Å; V330-L354 HydrophobicContact CG1-CD2 4.33Å
331A94.6Very high92.5Very high34 Ų3447.3 Ų47.328%0.28128%0.28SS..Hα-helixtrans-62.7-42.3179.100000112.6F327 Q328 L334 S335 L354F327-A331 PolarHBondContact O-N 3.16Å; Q328-A331 PolarHBondContact O-N 2.99Å; A331-L334 PolarHBondContact O-N 3.26Å; A331-S335 WeakPolarHBondContact O-CB 3.37Å; A331-S335 PolarHBondContact O-N 3.43Å; A331-L354 HydrophobicContact CB-CD1 4.11Å
332S93Very high91.8Very high75 Ų7548.2 Ų48.252%0.52429%0.285SS..Hα-helixtrans-63.9-40.3175.3-175.40000112Q328 S329 V330 S335 S336Q328-S332 WeakPolarHBondContact O-CB 3.31Å; Q328-S332 PolarHBondContact O-N 2.7Å; S329-S332 PolarHBondContact O-N 3.48Å; V330-S332 PolarHBondContact O-N 2.87Å; S332-S335 PolarHBondContact O-N 3.37Å; S332-S336 WeakPolarHBondContact O-CB 3.4Å; S332-S336 PolarHBondContact O-N 2.92Å; S332-S336 PolarHBondContact O-OG 3.4Å
333S90.8Very high91.1Very high14 Ų1447.6 Ų47.610%0.09828%0.279CS..Hα-helixtrans-64.3-44.6175.7-171.10000111.8S329 V330 S335 S336 H337S329-S333 VanDerWaalsContact O-CB 3.31Å; S329-S333 WeakPolarHBondContact O-CB 3.48Å; S329-S333 PolarHBondContact O-N 3.36Å; V330-S333 PolarHBondContact O-N 2.94Å; S333-S335 PolarHBondContact O-N 3.45Å; S333-S336 PolarHBondContact O-N 3.36Å; S333-S336 PolarHBondContact O-OG 2.97Å; S333-H337 PolarHBondContact O-N 2.9Å; S333-H337 VanDerWaalsContact O-N 3.15Å; S333-H337 PolarHBondContact O-ND1 3.43Å
334L92.3Very high90.4Very high4 Ų449.7 Ų49.72%0.02130%0.296CS..Hα-helixtrans-59.9-46.2174.9-178.265.4000111.8V330 A331 H337 W338 L343 R347 V350 L351 L354V330-L334 PolarHBondContact O-N 3.16Å; A331-L334 PolarHBondContact O-N 3.26Å; L334-H337 CarbonylContact O-C 3.25Å; L334-H337 PolarHBondContact O-N 3.26Å; L334-W338 HydrophobicContact CD1-CE3 4.18Å; L334-W338 HydrophobicContact CD1-CZ3 4.28Å; L334-W338 HydrophobicContact CD2-CZ3 4.18Å; L334-W338 HydrophobicContact CG-CE3 4.07Å; L334-W338 HydrophobicContact CG-CZ3 4.17Å; L334-W338 WeakPolarHBondContact O-CA 3.5Å; L334-W338 PolarHBondContact O-N 2.87Å; L334-L343 HydrophobicContact CD1-CD1 4.42Å; L334-R347 HydrophobicContact CD1-CB 4.3Å; L334-V350 HydrophobicContact CD2-CG1 4.06Å; L334-L351 HydrophobicContact CD2-CB 4.33Å; L334-L354 HydrophobicContact CD2-CD1 3.7Å
335S90.4Very high89.8Confident91 Ų9154.5 Ų54.564%0.63632%0.322SS*.Hα-helixtrans-60.3-47.5178.1179.90000111.8A331 S332 S333 H337 W338A331-S335 WeakPolarHBondContact O-CB 3.37Å; A331-S335 PolarHBondContact O-N 3.43Å; S332-S335 PolarHBondContact O-N 3.37Å; S333-S335 PolarHBondContact O-N 3.45Å; S335-H337 VanDerWaalsContact C-N 3.25Å; S335-H337 PolarHBondContact O-N 3.5Å; S335-W338 PolarHBondContact O-N 3.48Å
336S88Confident89.2Confident41 Ų4153.7 Ų53.729%0.28732%0.316SS..Hα-helixtrans-68.1-21.1-178.161.50000114.5K282 S332 S333K282-S336 PolarHBondContact NZ-O 3.02Å; S332-S336 WeakPolarHBondContact O-CB 3.4Å; S332-S336 PolarHBondContact O-N 2.92Å; S332-S336 PolarHBondContact O-OG 3.4Å; S333-S336 PolarHBondContact O-N 3.36Å; S333-S336 PolarHBondContact O-OG 2.97Å
337H88.7Confident88.9Confident2 Ų256.7 Ų56.71%0.00933%0.327CS..THydrogen-bonded Turntrans-115.313-179.4-57.491.4000114.2L289 S333 L334 S335 G339 Y340 L343L289-H337 HydrophobicContact CD2-CB 3.7Å; S333-H337 PolarHBondContact O-N 2.9Å; S333-H337 VanDerWaalsContact O-N 3.15Å; S333-H337 PolarHBondContact O-ND1 3.43Å; L334-H337 CarbonylContact O-C 3.25Å; L334-H337 PolarHBondContact O-N 3.26Å; S335-H337 VanDerWaalsContact C-N 3.25Å; S335-H337 PolarHBondContact O-N 3.5Å; H337-G339 PolarHBondContact O-N 3.29Å; H337-Y340 HydrophobicContact CB-CD2 3.98Å; H337-Y340 HydrophobicContact CB-CE2 4.5Å; H337-Y340 AromaticContact CD2-CE2 3.92Å; H337-Y340 WeakPolarHBondContact O-CD2 3.4Å; H337-Y340 PolarHBondContact O-N 2.62Å; H337-L343 HydrophobicContact CB-CD1 4.15Å
338W88.4Confident88.6Confident96 Ų9662.7 Ų62.736%0.36436%0.355SS..THydrogen-bonded Turntrans-50.1-34.6-173.8-174-104.6000115L334 S335 R347 L351L334-W338 HydrophobicContact CD1-CE3 4.18Å; L334-W338 HydrophobicContact CD1-CZ3 4.28Å; L334-W338 HydrophobicContact CD2-CZ3 4.18Å; L334-W338 HydrophobicContact CG-CE3 4.07Å; L334-W338 HydrophobicContact CG-CZ3 4.17Å; L334-W338 WeakPolarHBondContact O-CA 3.5Å; L334-W338 PolarHBondContact O-N 2.87Å; S335-W338 PolarHBondContact O-N 3.48Å; W338-R347 HydrophobicContact CE3-CB 4.45Å; W338-R347 HydrophobicContact CH2-CB 4.25Å; W338-R347 HydrophobicContact CH2-CG 4.09Å; W338-R347 HydrophobicContact CZ2-CG 4.47Å; W338-R347 HydrophobicContact CZ3-CB 3.95Å; W338-R347 HydrophobicContact CZ3-CG 4.25Å; W338-R347 PolarHBondContact O-NH1 2.93Å; W338-L351 HydrophobicContact CH2-CB 4.04Å; W338-L351 HydrophobicContact CH2-CD2 3.52Å; W338-L351 HydrophobicContact CH2-CG 4.33Å; W338-L351 HydrophobicContact CZ2-CD2 4.27Å; W338-L351 HydrophobicContact CZ3-CB 4.03Å; W338-L351 HydrophobicContact CZ3-CD2 4.04Å; W338-L351 HydrophobicContact CZ3-CG 4.47Å
339G86.1Confident88.5Confident68 Ų6859.6 Ų59.670%0.70135%0.348SS*.THydrogen-bonded Turntrans-81.7-2.4-177.200000116.6H337H337-G339 PolarHBondContact O-N 3.29Å
340Y85.8Confident88.4Confident53 Ų5358.9 Ų58.921%0.20834%0.343CS..  trans-78.4134.7-177.9-81.3-100.1000112.2K282 E286 L289 H337 Q342 L343K282-Y340 WeakPolarHBondContact CB-OH 3.1Å; E286-Y340 HydrophobicContact CG-CD1 4.35Å; E286-Y340 HydrophobicContact CG-CE1 4.33Å; L289-Y340 HydrophobicContact CD1-CD1 3.72Å; L289-Y340 HydrophobicContact CD1-CD2 4.49Å; L289-Y340 HydrophobicContact CD1-CE1 4.5Å; L289-Y340 HydrophobicContact CD1-CG 3.72Å; H337-Y340 HydrophobicContact CB-CD2 3.98Å; H337-Y340 HydrophobicContact CB-CE2 4.5Å; H337-Y340 AromaticContact CD2-CE2 3.92Å; H337-Y340 WeakPolarHBondContact O-CD2 3.4Å; H337-Y340 PolarHBondContact O-N 2.62Å; Y340-Q342 VanDerWaalsContact C-N 3.26Å; Y340-Q342 PolarHBondContact O-N 2.92Å; Y340-L343 PolarHBondContact O-N 3.38Å
341T82.5Confident88.4Confident113 Ų11361.9 Ų61.969%0.69336%0.358SS*.G310 helixtrans-65-28.9-17648.60000113L343 A344T341-L343 PolarHBondContact O-N 3.12Å; T341-L343 VanDerWaalsContact O-N 3.16Å; T341-A344 VanDerWaalsContact O-CB 3.29Å; T341-A344 WeakPolarHBondContact O-CB 3.02Å; T341-A344 PolarHBondContact O-N 2.98Å; T341-A344 VanDerWaalsContact O-N 3.12Å
342Q80Confident88.4Confident94 Ų9467.2 Ų67.244%0.43938%0.376SS..G310 helixtrans-64-17.7178.5-63.285.3-3.900113.5E286 L289 Y340E286-Q342 PolarHBondContact OE1-NE2 2.81Å; L289-Q342 HydrophobicContact CD1-CB 4.5Å; Y340-Q342 VanDerWaalsContact C-N 3.26Å; Y340-Q342 PolarHBondContact O-N 2.92Å
343L81.3Confident88.6Confident10 Ų1064.5 Ų64.55%0.05236%0.355CS..G310 helixtrans-98.5-4.2178.6-63.4176.3000113L289 L292 L334 H337 Y340 T341 D345 E346 R347L289-L343 HydrophobicContact CB-CD2 4.17Å; L289-L343 HydrophobicContact CB-CG 4.41Å; L289-L343 HydrophobicContact CD2-CD1 4.35Å; L289-L343 WeakPolarHBondContact O-CD2 3.47Å; L292-L343 HydrophobicContact CB-CD2 3.81Å; L292-L343 HydrophobicContact CD1-CD1 4.07Å; L292-L343 HydrophobicContact CD1-CD2 4.36Å; L334-L343 HydrophobicContact CD1-CD1 4.42Å; H337-L343 HydrophobicContact CB-CD1 4.15Å; Y340-L343 PolarHBondContact O-N 3.38Å; T341-L343 PolarHBondContact O-N 3.12Å; T341-L343 VanDerWaalsContact O-N 3.16Å; L343-D345 VanDerWaalsContact C-N 3.28Å; L343-D345 PolarHBondContact O-N 3.46Å; L343-E346 PolarHBondContact O-N 3.16Å; L343-R347 HydrophobicContact CB-CB 4.21Å; L343-R347 WeakPolarHBondContact O-CB 3.37Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 2.96Å
344A82.3Confident88.8Confident44 Ų4464.1 Ų64.136%0.36435%0.352SS..THydrogen-bonded Turntrans-56.4-40.3-166.600000113.4T341T341-A344 VanDerWaalsContact O-CB 3.29Å; T341-A344 WeakPolarHBondContact O-CB 3.02Å; T341-A344 PolarHBondContact O-N 2.98Å; T341-A344 VanDerWaalsContact O-N 3.12Å
345D83.9Confident88.9Confident161 Ų16168.6 Ų68.686%0.86138%0.375SS*.THydrogen-bonded Turntrans-76-30.5-173.3-61.5-27000113.4L343L343-D345 VanDerWaalsContact C-N 3.28Å; L343-D345 PolarHBondContact O-N 3.46Å
346E85.7Confident89.1Confident72 Ų7267.1 Ų67.134%0.33636%0.364SS..THydrogen-bonded Turntrans-114.5-16.1-172.6-67.7-165.6-167.400114.9S293 L294 L343 E348 S349 V350S293-E346 WeakPolarHBondContact CA-OE2 3.45Å; S293-E346 WeakPolarHBondContact CB-OE2 3.44Å; S293-E346 PolarHBondContact OG-OE2 3.37Å; L294-E346 PolarHBondContact N-OE2 3.44Å; L343-E346 PolarHBondContact O-N 3.16Å; E346-E348 VanDerWaalsContact C-N 3.27Å; E346-E348 PolarHBondContact O-N 2.99Å; E346-E348 VanDerWaalsContact O-N 3.15Å; E346-S349 WeakPolarHBondContact O-CB 3.48Å; E346-S349 PolarHBondContact O-N 3.31Å; E346-S349 VanDerWaalsContact O-N 3.1Å; E346-V350 WeakPolarHBondContact O-CG2 3.44Å; E346-V350 PolarHBondContact O-N 3.3Å
347R89.4Confident89.5Confident63 Ų6365.2 Ų65.224%0.23835%0.351CS..Hα-helixtrans-57.4-35.2-172.164.5-176.1-179.9-174.2-2.2114.3L334 W338 L343 L351L334-R347 HydrophobicContact CD1-CB 4.3Å; W338-R347 HydrophobicContact CE3-CB 4.45Å; W338-R347 HydrophobicContact CH2-CB 4.25Å; W338-R347 HydrophobicContact CH2-CG 4.09Å; W338-R347 HydrophobicContact CZ2-CG 4.47Å; W338-R347 HydrophobicContact CZ3-CB 3.95Å; W338-R347 HydrophobicContact CZ3-CG 4.25Å; W338-R347 PolarHBondContact O-NH1 2.93Å; L343-R347 HydrophobicContact CB-CB 4.21Å; L343-R347 WeakPolarHBondContact O-CB 3.37Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 2.96Å; R347-L351 VanDerWaalsContact O-CB 3.25Å; R347-L351 WeakPolarHBondContact O-CB 3.08Å; R347-L351 PolarHBondContact O-N 3.38Å
348E90.8Very high89.8Confident138 Ų13867.6 Ų67.665%0.64537%0.367SS*.Hα-helixtrans-70.1-41.9179.7-68.2-175.6-17800111.4E346 V350 L351 K352E346-E348 VanDerWaalsContact C-N 3.27Å; E346-E348 PolarHBondContact O-N 2.99Å; E346-E348 VanDerWaalsContact O-N 3.15Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 2.94Å; E348-L351 PolarHBondContact O-N 3.39Å; E348-K352 WeakPolarHBondContact O-CB 3.45Å; E348-K352 PolarHBondContact O-N 3.29Å
349S93.8Very high89.9Confident63 Ų6368.4 Ų68.444%0.44138%0.378SS..Hα-helixtrans-63-42.2175.6-63.90000111.3E346 K352 L353E346-S349 WeakPolarHBondContact O-CB 3.48Å; E346-S349 PolarHBondContact O-N 3.31Å; E346-S349 VanDerWaalsContact O-N 3.1Å; S349-K352 PolarHBondContact O-N 2.92Å; S349-L353 PolarHBondContact O-N 3.27Å
350V94.5Very high90.4Very high0 Ų069 Ų690%036%0.361CS..Hα-helixtrans-68.5-44.8177.71780000110.4L292 L294 V297 L334 E346 E348 K352 L353 L354L292-V350 VanDerWaalsContact O-CG2 3.3Å; L292-V350 WeakPolarHBondContact O-CG2 3.35Å; L294-V350 HydrophobicContact CB-CG2 4.36Å; V297-V350 HydrophobicContact CB-CG1 4.4Å; V297-V350 HydrophobicContact CG1-CG1 4.3Å; V297-V350 HydrophobicContact CG2-CG1 4.12Å; L334-V350 HydrophobicContact CD2-CG1 4.06Å; E346-V350 WeakPolarHBondContact O-CG2 3.44Å; E346-V350 PolarHBondContact O-N 3.3Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 2.94Å; V350-K352 VanDerWaalsContact C-N 3.32Å; V350-K352 PolarHBondContact O-N 3.48Å; V350-L353 WeakPolarHBondContact O-CB 3.44Å; V350-L353 PolarHBondContact O-N 3.4Å; V350-L353 VanDerWaalsContact O-N 3.15Å; V350-L354 HydrophobicContact CG1-CD1 4.28Å; V350-L354 HydrophobicContact CG1-CG 4.41Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 3.39Å
351L94.2Very high90.8Very high63 Ų6367.4 Ų67.433%0.3336%0.356SS..Hα-helixtrans-56.2-47.4174.1177.162.8000111.1L334 W338 R347 E348 L353 L354 L355L334-L351 HydrophobicContact CD2-CB 4.33Å; W338-L351 HydrophobicContact CH2-CB 4.04Å; W338-L351 HydrophobicContact CH2-CD2 3.52Å; W338-L351 HydrophobicContact CH2-CG 4.33Å; W338-L351 HydrophobicContact CZ2-CD2 4.27Å; W338-L351 HydrophobicContact CZ3-CB 4.03Å; W338-L351 HydrophobicContact CZ3-CD2 4.04Å; W338-L351 HydrophobicContact CZ3-CG 4.47Å; R347-L351 VanDerWaalsContact O-CB 3.25Å; R347-L351 WeakPolarHBondContact O-CB 3.08Å; R347-L351 PolarHBondContact O-N 3.38Å; E348-L351 PolarHBondContact O-N 3.39Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 2.96Å; L351-L354 PolarHBondContact O-N 2.97Å; L351-L355 HydrophobicContact CD1-CD1 3.99Å; L351-L355 HydrophobicContact CD1-CG 3.97Å; L351-L355 HydrophobicContact CD2-CD1 4.46Å; L351-L355 HydrophobicContact CG-CD1 3.89Å; L351-L355 HydrophobicContact CG-CG 4.28Å; L351-L355 WeakPolarHBondContact O-CB 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.36Å; L351-L355 PolarHBondContact O-N 2.94Å
352K94.6Very high91.2Very high147 Ų14765.6 Ų65.664%0.63934%0.342SS*.Hα-helixtrans-58.7-44.9176.9-174.5179.3-178.3177.90111.5E348 S349 V350 L354 L355 C356E348-K352 WeakPolarHBondContact O-CB 3.45Å; E348-K352 PolarHBondContact O-N 3.29Å; S349-K352 PolarHBondContact O-N 2.92Å; V350-K352 VanDerWaalsContact C-N 3.32Å; V350-K352 PolarHBondContact O-N 3.48Å; K352-L354 PolarHBondContact O-N 3.39Å; K352-L355 PolarHBondContact O-N 2.88Å; K352-C356 WeakPolarHBondContact O-CB 3.28Å; K352-C356 PolarHBondContact O-N 2.88Å; K352-C356 PolarHBondContact O-SG 2.91Å
353L96.5Very high91.7Very high17 Ų1770.8 Ų70.89%0.08936%0.358CS..Hα-helixtrans-59.2-46.4176.7178.465.9000111.5L294 V297 Q298 V301 S349 V350 L351 T357L294-L353 HydrophobicContact CD1-CB 4.47Å; L294-L353 HydrophobicContact CD1-CD2 3.77Å; V297-L353 HydrophobicContact CG1-CD2 4.11Å; Q298-L353 HydrophobicContact CB-CD2 4.31Å; V301-L353 HydrophobicContact CB-CD1 4.49Å; V301-L353 HydrophobicContact CB-CD2 4.27Å; V301-L353 HydrophobicContact CB-CG 4.43Å; V301-L353 HydrophobicContact CG1-CD1 3.88Å; V301-L353 HydrophobicContact CG1-CG 4.2Å; V301-L353 HydrophobicContact CG2-CD2 3.99Å; V301-L353 HydrophobicContact CG2-CG 4.12Å; S349-L353 PolarHBondContact O-N 3.27Å; V350-L353 WeakPolarHBondContact O-CB 3.44Å; V350-L353 PolarHBondContact O-N 3.4Å; V350-L353 VanDerWaalsContact O-N 3.15Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 2.96Å; L353-T357 WeakPolarHBondContact O-CB 3.5Å; L353-T357 PolarHBondContact O-N 2.93Å; L353-T357 VanDerWaalsContact O-N 3.09Å; L353-T357 PolarHBondContact O-OG1 3.42Å
354L95.9Very high92.2Very high7 Ų770.8 Ų70.84%0.03736%0.358CS..Hα-helixtrans-63.5-48.8178.6-63.9177.8000111V297 F327 V330 A331 L334 V350 L351 K352 C356 T357 C358V297-L354 HydrophobicContact CG1-CD2 3.98Å; F327-L354 HydrophobicContact CD2-CD2 3.82Å; F327-L354 HydrophobicContact CE2-CB 4.29Å; F327-L354 HydrophobicContact CE2-CD2 3.3Å; F327-L354 HydrophobicContact CE2-CG 4.38Å; F327-L354 HydrophobicContact CZ-CB 4.23Å; F327-L354 HydrophobicContact CZ-CD2 3.96Å; V330-L354 HydrophobicContact CG1-CD2 4.33Å; A331-L354 HydrophobicContact CB-CD1 4.11Å; L334-L354 HydrophobicContact CD2-CD1 3.7Å; V350-L354 HydrophobicContact CG1-CD1 4.28Å; V350-L354 HydrophobicContact CG1-CG 4.41Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 3.39Å; L351-L354 PolarHBondContact O-N 2.97Å; K352-L354 PolarHBondContact O-N 3.39Å; L354-C356 PolarHBondContact O-N 2.72Å; L354-T357 CarbonylContact O-C 3.59Å; L354-T357 WeakPolarHBondContact O-CA 3.34Å; L354-T357 WeakPolarHBondContact O-CB 3.4Å; L354-T357 PolarHBondContact O-N 2.92Å; L354-C358 PolarHBondContact O-N 3.08Å; L354-C358 PolarHBondContact O-SG 2.81Å; L354-C358 VanDerWaalsContact O-SG 3.37Å
355L93.3Very high92.5Very high97 Ų9770 Ų7051%0.50835%0.349SS..Hα-helixtrans-61.6-45.6179.7-70.4176.7000112.5L351 K352 T357 C358 L359L351-L355 HydrophobicContact CD1-CD1 3.99Å; L351-L355 HydrophobicContact CD1-CG 3.97Å; L351-L355 HydrophobicContact CD2-CD1 4.46Å; L351-L355 HydrophobicContact CG-CD1 3.89Å; L351-L355 HydrophobicContact CG-CG 4.28Å; L351-L355 WeakPolarHBondContact O-CB 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.36Å; L351-L355 PolarHBondContact O-N 2.94Å; K352-L355 PolarHBondContact O-N 2.88Å; L355-T357 PolarHBondContact O-N 3.38Å; L355-C358 PolarHBondContact O-N 3.44Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 2.8Å
356C95.5Very high92.8Very high61 Ų6163.1 Ų63.141%0.41231%0.313SS..Hα-helixtrans-60.1-33.6174.6-71.30000112K352 L354 F360K352-C356 WeakPolarHBondContact O-CB 3.28Å; K352-C356 PolarHBondContact O-N 2.88Å; K352-C356 PolarHBondContact O-SG 2.91Å; L354-C356 PolarHBondContact O-N 2.72Å; C356-F360 WeakPolarHBondContact O-CB 3.47Å; C356-F360 PolarHBondContact O-N 3.41Å; C356-F360 VanDerWaalsContact O-N 3.13Å
357T96.5Very high93Very high0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-72.7-42176.7-53.10000111.4V301 L304 R305 F327 L353 L354 L355 L359 F360 L361V301-T357 HydrophobicContact CG1-CG2 4.07Å; V301-T357 VanDerWaalsContact CG1-OG1 3.23Å; V301-T357 WeakPolarHBondContact CG1-OG1 3.43Å; L304-T357 HydrophobicContact CD2-CG2 4.19Å; R305-T357 HydrophobicContact CG-CG2 4.34Å; R305-T357 PolarHBondContact NE-OG1 3.27Å; R305-T357 PolarHBondContact NH2-OG1 3.27Å; F327-T357 HydrophobicContact CD2-CG2 4.38Å; F327-T357 HydrophobicContact CE2-CG2 3.77Å; F327-T357 HydrophobicContact CZ-CG2 4.09Å; L353-T357 WeakPolarHBondContact O-CB 3.5Å; L353-T357 PolarHBondContact O-N 2.93Å; L353-T357 VanDerWaalsContact O-N 3.09Å; L353-T357 PolarHBondContact O-OG1 3.42Å; L354-T357 CarbonylContact O-C 3.59Å; L354-T357 WeakPolarHBondContact O-CA 3.34Å; L354-T357 WeakPolarHBondContact O-CB 3.4Å; L354-T357 PolarHBondContact O-N 2.92Å; L355-T357 PolarHBondContact O-N 3.38Å; T357-L359 VanDerWaalsContact C-N 3.33Å; T357-L359 PolarHBondContact O-N 3.25Å; T357-F360 WeakPolarHBondContact O-CB 3.5Å; T357-F360 PolarHBondContact O-N 3.15Å; T357-F360 VanDerWaalsContact O-N 3.15Å; T357-L361 HydrophobicContact CG2-CD1 4.06Å; T357-L361 HydrophobicContact CG2-CG 4.36Å; T357-L361 VanDerWaalsContact O-CG 3.27Å; T357-L361 WeakPolarHBondContact O-CG 3.46Å; T357-L361 PolarHBondContact O-N 3.07Å
358C93.9Very high92.7Very high52 Ų5263.6 Ų63.635%0.35132%0.321SS..Hα-helixtrans-56.4-47172.6-66.50000111.6L354 L355 F360 L361 L362L354-C358 PolarHBondContact O-N 3.08Å; L354-C358 PolarHBondContact O-SG 2.81Å; L354-C358 VanDerWaalsContact O-SG 3.37Å; L355-C358 PolarHBondContact O-N 3.44Å; C358-F360 VanDerWaalsContact C-N 3.27Å; C358-F360 PolarHBondContact O-N 3.5Å; C358-L361 PolarHBondContact O-N 2.86Å; C358-L361 VanDerWaalsContact O-N 3.14Å; C358-L362 WeakPolarHBondContact O-CG 3.49Å; C358-L362 PolarHBondContact O-N 2.91Å
359L92.5Very high92.3Very high114 Ų11457 Ų5760%0.59729%0.291SS*.Hα-helixtrans-61.9-35.5177.6-70.2175.8000112.9L355 T357 L362L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 2.8Å; T357-L359 VanDerWaalsContact C-N 3.33Å; T357-L359 PolarHBondContact O-N 3.25Å; L359-L362 HydrophobicContact CD2-CD1 4.43Å
360F94.7Very high91.9Very high79 Ų7957.7 Ų57.735%0.34629%0.287SS..Hα-helixtrans-67-44.4173.4169.1-95000111.5R305 A308 C356 T357 C358 L362 R363R305-F360 HydrophobicContact CB-CE1 4.22Å; R305-F360 HydrophobicContact CG-CD1 4.05Å; R305-F360 HydrophobicContact CG-CE1 4.04Å; A308-F360 HydrophobicContact CB-CE1 3.66Å; A308-F360 HydrophobicContact CB-CZ 4.25Å; C356-F360 WeakPolarHBondContact O-CB 3.47Å; C356-F360 PolarHBondContact O-N 3.41Å; C356-F360 VanDerWaalsContact O-N 3.13Å; T357-F360 WeakPolarHBondContact O-CB 3.5Å; T357-F360 PolarHBondContact O-N 3.15Å; T357-F360 VanDerWaalsContact O-N 3.15Å; C358-F360 VanDerWaalsContact C-N 3.27Å; C358-F360 PolarHBondContact O-N 3.5Å; F360-L362 VanDerWaalsContact C-N 3.34Å; F360-L362 PolarHBondContact O-N 3.36Å; F360-R363 PolarHBondContact O-N 2.89Å
361L94.2Very high91.6Very high20 Ų2058.1 Ų58.111%0.10529%0.29CS..Hα-helixtrans-67.8-29.4179.9-67.5168.1000113.4L304 A308 F320 L324 F327 T357 C358 R363 H364L304-L361 HydrophobicContact CD2-CD1 4.02Å; L304-L361 HydrophobicContact CG-CD2 4.4Å; A308-L361 HydrophobicContact CB-CD2 4.16Å; F320-L361 HydrophobicContact CE2-CD2 3.84Å; F320-L361 HydrophobicContact CZ-CD2 4.02Å; L324-L361 HydrophobicContact CD1-CD1 3.64Å; F327-L361 HydrophobicContact CE1-CD1 4.36Å; T357-L361 HydrophobicContact CG2-CD1 4.06Å; T357-L361 HydrophobicContact CG2-CG 4.36Å; T357-L361 VanDerWaalsContact O-CG 3.27Å; T357-L361 WeakPolarHBondContact O-CG 3.46Å; T357-L361 PolarHBondContact O-N 3.07Å; C358-L361 PolarHBondContact O-N 2.86Å; C358-L361 VanDerWaalsContact O-N 3.14Å; L361-R363 PolarHBondContact O-N 3.48Å; L361-R363 VanDerWaalsContact O-N 3.08Å; L361-H364 WeakPolarHBondContact O-CB 3.14Å; L361-H364 PolarHBondContact O-N 3.37Å
362L91.8Very high91.2Very high76 Ų7660.2 Ų60.240%0.39831%0.305SS..THydrogen-bonded Turntrans-63.1-11.7174.1-75174.5000113.6C358 L359 F360 L367 V399C358-L362 WeakPolarHBondContact O-CG 3.49Å; C358-L362 PolarHBondContact O-N 2.91Å; L359-L362 HydrophobicContact CD2-CD1 4.43Å; F360-L362 VanDerWaalsContact C-N 3.34Å; F360-L362 PolarHBondContact O-N 3.36Å; L362-L367 HydrophobicContact CD2-CD1 4.33Å; L362-V399 HydrophobicContact CD2-CG1 3.9Å
363R90.2Very high90.7Very high203 Ų20354.7 Ų54.777%0.76629%0.285SS*.THydrogen-bonded Turntrans-101.76.7174.9-58-179.6179.9-172-2.2112.8F360 L361F360-R363 PolarHBondContact O-N 2.89Å; L361-R363 PolarHBondContact O-N 3.48Å; L361-R363 VanDerWaalsContact O-N 3.08Å
364H92Very high89.9Confident10 Ų1059.1 Ų59.15%0.04632%0.318CS..SBendtrans-68.3141.1-178.4-172.8-96.5000110.5A308 L361 S366 L367 F381A308-H364 PolarHBondContact O-CD2 2.88Å; A308-H364 VanDerWaalsContact O-CD2 3.31Å; L361-H364 WeakPolarHBondContact O-CB 3.14Å; L361-H364 PolarHBondContact O-N 3.37Å; H364-S366 VanDerWaalsContact ND1-CB 3.34Å; H364-S366 WeakPolarHBondContact ND1-CB 3.38Å; H364-S366 PolarHBondContact ND1-N 3.01Å; H364-S366 PolarHBondContact ND1-OG 3.37Å; H364-S366 PolarHBondContact O-N 3.43Å; H364-L367 PolarHBondContact O-N 3.24Å; H364-L367 VanDerWaalsContact O-N 3.07Å; H364-F381 AromaticContact CE1-CD1 3.72Å; H364-F381 AromaticContact CE1-CE1 3.72Å
365P89.4Confident89Confident28 Ų2864.8 Ų64.818%0.18234%0.344CS..G310 helixtrans-48.2-32.9179.1-35.640.2000115.6L367 I368 D378 F381P365-L367 PolarHBondContact O-N 2.95Å; P365-I368 PolarHBondContact O-N 3.29Å; P365-I368 VanDerWaalsContact O-N 3.13Å; P365-D378 HydrophobicContact CB-CB 4.46Å; P365-D378 WeakPolarHBondContact CB-OD1 3.46Å; P365-F381 HydrophobicContact CB-CD2 3.52Å; P365-F381 HydrophobicContact CB-CE2 3.76Å; P365-F381 HydrophobicContact CB-CG 4.25Å; P365-F381 HydrophobicContact CG-CD2 4.38Å; P365-F381 HydrophobicContact CG-CE2 4.13Å
366S89.6Confident88.4Confident15 Ų1564.9 Ų64.911%0.10534%0.342CS..G310 helixtrans-64.2-4.5178.870.80000115.6Y317 H364Y317-S366 WeakPolarHBondContact OH-CB 3.39Å; H364-S366 VanDerWaalsContact ND1-CB 3.34Å; H364-S366 WeakPolarHBondContact ND1-CB 3.38Å; H364-S366 PolarHBondContact ND1-N 3.01Å; H364-S366 PolarHBondContact ND1-OG 3.37Å; H364-S366 PolarHBondContact O-N 3.43Å
367L88.9Confident87.6Confident50 Ų5065.5 Ų65.526%0.26235%0.345SS..G310 helixtrans-115.72.9177.9-67.6176.1000113.2L362 H364 P365L362-L367 HydrophobicContact CD2-CD1 4.33Å; H364-L367 PolarHBondContact O-N 3.24Å; H364-L367 VanDerWaalsContact O-N 3.07Å; P365-L367 PolarHBondContact O-N 2.95Å
368I84.2Confident86.9Confident95 Ų9567.4 Ų67.449%0.48736%0.355SS..THydrogen-bonded Turntrans-116.7-52.5-170.2-60.2166000111.3P365P365-I368 PolarHBondContact O-N 3.29Å; P365-I368 VanDerWaalsContact O-N 3.13Å
369G82.7Confident86.6Confident1 Ų165 Ų651%0.0134%0.339CS..  trans-87125.4-171.500000113.1S382G369-S382 WeakPolarHBondContact O-CB 3.29Å; G369-S382 PolarHBondContact O-OG 3.5Å
370Q85.2Confident86.5Confident76 Ų7661.2 Ų61.236%0.35532%0.321SS..  trans-69140.7172.6-72.1177.6-10.800111.1T372 S373 C379 F392 M393Q370-T372 VanDerWaalsContact C-N 3.27Å; Q370-T372 PolarHBondContact O-N 3.41Å; Q370-T372 VanDerWaalsContact O-N 3.15Å; Q370-S373 WeakPolarHBondContact O-CB 3.4Å; Q370-S373 PolarHBondContact O-N 2.97Å; Q370-C379 WeakPolarHBondContact O-CB 3.45Å; Q370-C379 PolarHBondContact O-SG 3.26Å; Q370-F392 HydrophobicContact CG-CD1 3.88Å; Q370-F392 HydrophobicContact CG-CE1 3.76Å; Q370-M393 HydrophobicContact CG-SD 4.44Å; Q370-M393 PolarHBondContact NE2-SD 3.35Å; Q370-M393 VanDerWaalsContact NE2-SD 3.4Å
371P87.3Confident86.4Confident9 Ų957.9 Ų57.96%0.05831%0.306CS..THydrogen-bonded Turntrans-47.2-40.8177.3-29.932.6000115.6R383 D389 F392P371-R383 HydrophobicContact CB-CG 4.08Å; P371-R383 VanDerWaalsContact O-CG 3.31Å; P371-R383 WeakPolarHBondContact O-CG 3.46Å; P371-R383 PolarHBondContact O-NE 3.44Å; P371-D389 WeakPolarHBondContact CB-OD1 3.43Å; P371-D389 WeakPolarHBondContact CD-OD1 3.41Å; P371-D389 VanDerWaalsContact N-OD1 3.11Å; P371-F392 HydrophobicContact CG-CB 4.21Å
372T85.8Confident86.3Confident107 Ų10756.9 Ų56.966%0.65630%0.301SS*.THydrogen-bonded Turntrans-83.3-14-178.272.90000114.3Q370 D389Q370-T372 VanDerWaalsContact C-N 3.27Å; Q370-T372 PolarHBondContact O-N 3.41Å; Q370-T372 VanDerWaalsContact O-N 3.15Å; T372-D389 WeakPolarHBondContact CB-OD2 3.25Å; T372-D389 WeakPolarHBondContact CG2-OD1 3.2Å; T372-D389 WeakPolarHBondContact CG2-OD2 3.39Å; T372-D389 PolarHBondContact N-OD1 2.92Å; T372-D389 PolarHBondContact OG1-OD1 3.43Å; T372-D389 PolarHBondContact OG1-OD2 3.04Å
373S83.6Confident86.3Confident32 Ų3258.6 Ų58.622%0.22430%0.302CS..  trans-69.2156.5-179.9177.40000111.3Q370 E375 C379 R383Q370-S373 WeakPolarHBondContact O-CB 3.4Å; Q370-S373 PolarHBondContact O-N 2.97Å; S373-E375 PolarHBondContact OG-N 3.46Å; S373-C379 VanDerWaalsContact C-SG 3.58Å; S373-C379 WeakPolarHBondContact CB-SG 3.25Å; S373-C379 PolarHBondContact O-SG 3.44Å; S373-C379 VanDerWaalsContact O-SG 3.36Å; S373-R383 PolarHBondContact O-NH2 2.89Å
374S81.1Confident86.3Confident109 Ų10950.9 Ų50.976%0.76228%0.282SS*.  trans-95.56.3178.9560000113.6E376S374-E376 PolarHBondContact O-N 3.34Å; S374-E376 VanDerWaalsContact O-N 3.11Å
375E77.6Confident86.2Confident126 Ų12653 Ų5359%0.58929%0.294SS*.  trans-79.988.5-177.6-65.7-176.3169.200111.5S373 D378 C379S373-E375 PolarHBondContact OG-N 3.46Å; E375-D378 PolarHBondContact O-N 3.03Å; E375-C379 PolarHBondContact O-N 3.23Å; E375-C379 VanDerWaalsContact O-N 3.16Å; E375-C379 PolarHBondContact O-SG 3.21Å
376E80.4Confident86.3Confident99 Ų9953.4 Ų53.446%0.46329%0.292SS..THydrogen-bonded Turntrans-80.6143174.1-62.2-59.5166.600112.2S374 T380 R383S374-E376 PolarHBondContact O-N 3.34Å; S374-E376 VanDerWaalsContact O-N 3.11Å; E376-T380 PolarHBondContact OE1-OG1 3.25Å; E376-T380 WeakPolarHBondContact OE2-CB 3.14Å; E376-T380 PolarHBondContact OE2-OG1 3.36Å; E376-R383 IonicContact OE1-CZ 3.92Å; E376-R383 IonicContact OE1-NH1 2.73Å; E376-R383 PolarHBondContact OE1-NH1 2.89Å; E376-R383 IonicContact OE1-NH2 2.81Å; E376-R383 PolarHBondContact OE1-NH2 2.73Å
377P78.4Confident86Confident75 Ų7559.6 Ų59.649%0.48732%0.323SS..THydrogen-bonded Turncis-91.3-0.77.736.8-36.1000115C379 T380 F381P377-C379 VanDerWaalsContact C-N 3.3Å; P377-C379 PolarHBondContact O-N 3.03Å; P377-T380 PolarHBondContact O-N 3.21Å; P377-F381 WeakPolarHBondContact O-CD2 3.27Å
378D81.5Confident85.7Confident40 Ų4059.4 Ų59.421%0.21432%0.324CS..Hα-helixtrans-61.2-39.2-169.3-61.9-24000112.5P365 E375 T380P365-D378 HydrophobicContact CB-CB 4.46Å; P365-D378 WeakPolarHBondContact CB-OD1 3.46Å; E375-D378 PolarHBondContact O-N 3.03Å; D378-T380 PolarHBondContact O-N 3.3Å
379C88.5Confident85.7Confident0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-71.2-28.4-179.3-55.20000113.1Q370 S373 E375 P377 F381 S382 R383Q370-C379 WeakPolarHBondContact O-CB 3.45Å; Q370-C379 PolarHBondContact O-SG 3.26Å; S373-C379 VanDerWaalsContact C-SG 3.58Å; S373-C379 WeakPolarHBondContact CB-SG 3.25Å; S373-C379 PolarHBondContact O-SG 3.44Å; S373-C379 VanDerWaalsContact O-SG 3.36Å; E375-C379 PolarHBondContact O-N 3.23Å; E375-C379 VanDerWaalsContact O-N 3.16Å; E375-C379 PolarHBondContact O-SG 3.21Å; P377-C379 VanDerWaalsContact C-N 3.3Å; P377-C379 PolarHBondContact O-N 3.03Å; C379-F381 PolarHBondContact O-N 3.31Å; C379-S382 PolarHBondContact O-N 2.83Å; C379-R383 WeakPolarHBondContact O-CG 3.46Å; C379-R383 PolarHBondContact O-N 3.41Å
380T90.5Very high85.3Confident36 Ų3657.6 Ų57.622%0.22132%0.315CS..Hα-helixtrans-63.7-40-178.3-71.30000112Y312 E376 P377 D378 R383 A384Y312-T380 HydrophobicContact CD1-CG2 3.3Å; Y312-T380 HydrophobicContact CD2-CG2 3.95Å; Y312-T380 HydrophobicContact CE1-CG2 3.74Å; Y312-T380 HydrophobicContact CE2-CG2 4.33Å; Y312-T380 HydrophobicContact CG-CG2 3.41Å; Y312-T380 VanDerWaalsContact CG-CG2 3.41Å; E376-T380 PolarHBondContact OE1-OG1 3.25Å; E376-T380 WeakPolarHBondContact OE2-CB 3.14Å; E376-T380 PolarHBondContact OE2-OG1 3.36Å; P377-T380 PolarHBondContact O-N 3.21Å; D378-T380 PolarHBondContact O-N 3.3Å; T380-R383 PolarHBondContact O-N 2.57Å; T380-A384 PolarHBondContact O-N 2.73Å
381F92.2Very high85.1Confident8 Ų856.7 Ų56.74%0.03531%0.311CS..Hα-helixtrans-63.7-45176.2-71.3-89.5000111.3Y312 Y317 H364 P365 P377 C379 R383 A384 D385Y312-F381 AromaticContact CD2-CD1 3.68Å; Y312-F381 HydrophobicContact CD2-CD1 3.68Å; Y312-F381 HydrophobicContact CD2-CD2 4.47Å; Y312-F381 AromaticContact CD2-CE1 3.81Å; Y312-F381 HydrophobicContact CD2-CE1 3.81Å; Y312-F381 HydrophobicContact CD2-CG 4.04Å; Y312-F381 HydrophobicContact CD2-CZ 4.28Å; Y312-F381 HydrophobicContact CE2-CD1 4.43Å; Y317-F381 HydrophobicContact CD1-CD1 4.44Å; Y317-F381 AromaticContact CD2-CD1 3.7Å; Y317-F381 HydrophobicContact CD2-CD1 3.7Å; Y317-F381 AromaticContact CD2-CE1 3.76Å; Y317-F381 HydrophobicContact CD2-CE1 3.76Å; Y317-F381 HydrophobicContact CE1-CD1 4.26Å; Y317-F381 AromaticContact CE2-CD1 3.54Å; Y317-F381 HydrophobicContact CE2-CD1 3.54Å; Y317-F381 AromaticContact CE2-CE1 3.99Å; Y317-F381 HydrophobicContact CE2-CE1 3.99Å; Y317-F381 HydrophobicContact CG-CD1 4.19Å; Y317-F381 HydrophobicContact CG-CE1 4.34Å; Y317-F381 AromaticContact CZ-CD1 3.85Å; H364-F381 AromaticContact CE1-CD1 3.72Å; H364-F381 AromaticContact CE1-CE1 3.72Å; P365-F381 HydrophobicContact CB-CD2 3.52Å; P365-F381 HydrophobicContact CB-CE2 3.76Å; P365-F381 HydrophobicContact CB-CG 4.25Å; P365-F381 HydrophobicContact CG-CD2 4.38Å; P365-F381 HydrophobicContact CG-CE2 4.13Å; P377-F381 WeakPolarHBondContact O-CD2 3.27Å; C379-F381 PolarHBondContact O-N 3.31Å; F381-R383 PolarHBondContact O-N 2.82Å; F381-A384 VanDerWaalsContact O-CB 3.32Å; F381-A384 WeakPolarHBondContact O-CB 3.34Å; F381-A384 PolarHBondContact O-N 3.38Å; F381-A384 VanDerWaalsContact O-N 3.1Å; F381-D385 PolarHBondContact O-N 2.8Å
382S91.3Very high85.2Confident0 Ų056.5 Ų56.50%031%0.309CS..Hα-helixtrans-67.4-34.9-180-55.20000112.6G369 C379 A384 D385 Y386G369-S382 WeakPolarHBondContact O-CB 3.29Å; G369-S382 PolarHBondContact O-OG 3.5Å; C379-S382 PolarHBondContact O-N 2.83Å; S382-A384 PolarHBondContact O-N 3.18Å; S382-D385 PolarHBondContact O-N 3.04Å; S382-D385 VanDerWaalsContact O-N 3.16Å; S382-Y386 WeakPolarHBondContact O-CD2 3.4Å; S382-Y386 PolarHBondContact O-N 3.42Å
383R91Very high85.1Confident111 Ų11154.5 Ų54.542%0.41929%0.293SS..Hα-helixtrans-66-20.9172.6-70.3-179-155130.74.5113.7P371 S373 E376 C379 T380 F381P371-R383 HydrophobicContact CB-CG 4.08Å; P371-R383 VanDerWaalsContact O-CG 3.31Å; P371-R383 WeakPolarHBondContact O-CG 3.46Å; P371-R383 PolarHBondContact O-NE 3.44Å; S373-R383 PolarHBondContact O-NH2 2.89Å; E376-R383 IonicContact OE1-CZ 3.92Å; E376-R383 IonicContact OE1-NH1 2.73Å; E376-R383 PolarHBondContact OE1-NH1 2.89Å; E376-R383 IonicContact OE1-NH2 2.81Å; E376-R383 PolarHBondContact OE1-NH2 2.73Å; C379-R383 WeakPolarHBondContact O-CG 3.46Å; C379-R383 PolarHBondContact O-N 3.41Å; T380-R383 PolarHBondContact O-N 2.57Å; F381-R383 PolarHBondContact O-N 2.82Å
384A90.5Very high85Confident42 Ų4255.8 Ų55.835%0.34730%0.297SS..Hα-helixtrans-80-25.3175.100000112.5Y312 Y317 T380 F381 S382Y312-A384 HydrophobicContact CE2-CB 3.66Å; Y312-A384 WeakPolarHBondContact OH-CB 3.35Å; Y317-A384 HydrophobicContact CD1-CB 4.4Å; Y317-A384 HydrophobicContact CE1-CB 4.3Å; T380-A384 PolarHBondContact O-N 2.73Å; F381-A384 VanDerWaalsContact O-CB 3.32Å; F381-A384 WeakPolarHBondContact O-CB 3.34Å; F381-A384 PolarHBondContact O-N 3.38Å; F381-A384 VanDerWaalsContact O-N 3.1Å; S382-A384 PolarHBondContact O-N 3.18Å
385D91.2Very high85.2Confident54 Ų5453.7 Ų53.729%0.28928%0.277SS..Hα-helixtrans-105.2-30.7-173.9-69.5-22.9000113.7Y317 K321 F381 S382Y317-D385 WeakPolarHBondContact CE1-OD1 3.45Å; Y317-D385 WeakPolarHBondContact CE1-OD2 3.1Å; Y317-D385 PolarHBondContact OH-OD2 3.31Å; K321-D385 WeakPolarHBondContact CE-OD1 3.34Å; K321-D385 IonicContact NZ-OD1 3.42Å; K321-D385 PolarHBondContact NZ-OD1 3.25Å; F381-D385 PolarHBondContact O-N 2.8Å; S382-D385 PolarHBondContact O-N 3.04Å; S382-D385 VanDerWaalsContact O-N 3.16Å
386Y90.2Very high85.7Confident37 Ų3749.5 Ų49.515%0.14526%0.26CS..  trans-127139.5-170.9-51.3-77.2000110.5S382 E391 F392 D395S382-Y386 WeakPolarHBondContact O-CD2 3.4Å; S382-Y386 PolarHBondContact O-N 3.42Å; Y386-E391 HydrophobicContact CD1-CB 3.88Å; Y386-F392 HydrophobicContact CD1-CB 4.35Å; Y386-F392 HydrophobicContact CD2-CB 3.85Å; Y386-F392 AromaticContact CD2-CD2 3.85Å; Y386-F392 HydrophobicContact CD2-CD2 3.85Å; Y386-F392 HydrophobicContact CD2-CG 4.35Å; Y386-F392 HydrophobicContact CE2-CB 4.28Å; Y386-F392 AromaticContact CE2-CD2 3.65Å; Y386-F392 HydrophobicContact CE2-CD2 3.65Å; Y386-F392 HydrophobicContact CE2-CG 4.46Å; Y386-F392 HydrophobicContact CG-CB 3.9Å; Y386-D395 HydrophobicContact CE1-CB 4.34Å
387N84.8Confident85.9Confident144 Ų14446.2 Ų46.277%0.7725%0.25SS*.SBendtrans-81.3-26.6175.3-63.3-59.7000111.5E391N387-E391 PolarHBondContact N-OE2 3.33Å
388T81.6Confident86.3Confident46 Ų4646.9 Ų46.928%0.28225%0.245SC..SBendtrans-141.1158.4-173.686.10000112.1E390 E391 F392T388-E390 WeakPolarHBondContact CB-OE2 3.43Å; T388-E390 PolarHBondContact O-N 3.07Å; T388-E390 PolarHBondContact OG1-N 3.13Å; T388-E390 PolarHBondContact OG1-OE2 3.49Å; T388-E391 PolarHBondContact O-N 3.38Å; T388-E391 PolarHBondContact OG1-N 3.11Å; T388-F392 PolarHBondContact O-N 2.88Å
389D84.1Confident86.7Confident26 Ų2647.1 Ų47.114%0.13925%0.248CC..Hα-helixtrans-63.8-27.3177.4-66.4-20.6000112P371 T372 F392 M393P371-D389 WeakPolarHBondContact CB-OD1 3.43Å; P371-D389 WeakPolarHBondContact CD-OD1 3.41Å; P371-D389 VanDerWaalsContact N-OD1 3.11Å; T372-D389 WeakPolarHBondContact CB-OD2 3.25Å; T372-D389 WeakPolarHBondContact CG2-OD1 3.2Å; T372-D389 WeakPolarHBondContact CG2-OD2 3.39Å; T372-D389 PolarHBondContact N-OD1 2.92Å; T372-D389 PolarHBondContact OG1-OD1 3.43Å; T372-D389 PolarHBondContact OG1-OD2 3.04Å; D389-F392 WeakPolarHBondContact O-CB 3.31Å; D389-F392 PolarHBondContact O-N 3.04Å; D389-M393 WeakPolarHBondContact O-CB 3.48Å; D389-M393 WeakPolarHBondContact O-CG 3.49Å; D389-M393 PolarHBondContact O-N 3.5Å
390E74.2Confident86.6Confident33 Ų3352.7 Ų52.715%0.15427%0.269CS..Hα-helixtrans-70.1-42-177.6-57.185.1-176.300112.2T388 F392 M393 D394 H755 D756T388-E390 WeakPolarHBondContact CB-OE2 3.43Å; T388-E390 PolarHBondContact O-N 3.07Å; T388-E390 PolarHBondContact OG1-N 3.13Å; T388-E390 PolarHBondContact OG1-OE2 3.49Å; E390-F392 VanDerWaalsContact C-N 3.31Å; E390-F392 PolarHBondContact O-N 2.9Å; E390-M393 PolarHBondContact O-N 2.98Å; E390-D394 PolarHBondContact O-N 3.42Å; E390-H755 HydrophobicContact CB-CB 3.88Å; E390-H755 HydrophobicContact CG-CB 3.26Å; E390-D756 WeakPolarHBondContact OE1-CA 3.41Å; E390-D756 PolarHBondContact OE1-N 2.94Å
391E82.3Confident86.5Confident57 Ų5755.6 Ų55.627%0.26628%0.28SS..Hα-helixtrans-60.2-43.7173.5-66.3177.4163.600110.7Y386 N387 T388 D394 D395Y386-E391 HydrophobicContact CD1-CB 3.88Å; N387-E391 PolarHBondContact N-OE2 3.33Å; T388-E391 PolarHBondContact O-N 3.38Å; T388-E391 PolarHBondContact OG1-N 3.11Å; E391-D394 PolarHBondContact O-N 2.94Å; E391-D395 PolarHBondContact O-N 3.35Å
392F88.4Confident86.4Confident4 Ų463.6 Ų63.62%0.01831%0.31CS..Hα-helixtrans-61-48.3175.9169-98.7000112Q370 P371 Y386 T388 D389 E390 D394 D395 V396Q370-F392 HydrophobicContact CG-CD1 3.88Å; Q370-F392 HydrophobicContact CG-CE1 3.76Å; P371-F392 HydrophobicContact CG-CB 4.21Å; Y386-F392 HydrophobicContact CD1-CB 4.35Å; Y386-F392 HydrophobicContact CD2-CB 3.85Å; Y386-F392 AromaticContact CD2-CD2 3.85Å; Y386-F392 HydrophobicContact CD2-CD2 3.85Å; Y386-F392 HydrophobicContact CD2-CG 4.35Å; Y386-F392 HydrophobicContact CE2-CB 4.28Å; Y386-F392 AromaticContact CE2-CD2 3.65Å; Y386-F392 HydrophobicContact CE2-CD2 3.65Å; Y386-F392 HydrophobicContact CE2-CG 4.46Å; Y386-F392 HydrophobicContact CG-CB 3.9Å; T388-F392 PolarHBondContact O-N 2.88Å; D389-F392 WeakPolarHBondContact O-CB 3.31Å; D389-F392 PolarHBondContact O-N 3.04Å; E390-F392 VanDerWaalsContact C-N 3.31Å; E390-F392 PolarHBondContact O-N 2.9Å; F392-D394 VanDerWaalsContact C-N 3.31Å; F392-D394 PolarHBondContact O-N 3.19Å; F392-D395 PolarHBondContact O-N 2.83Å; F392-V396 HydrophobicContact CD1-CG2 4.3Å; F392-V396 HydrophobicContact CD2-CG2 4.15Å; F392-V396 HydrophobicContact CE1-CG2 3.9Å; F392-V396 HydrophobicContact CE2-CG2 3.74Å; F392-V396 HydrophobicContact CG-CG2 4.43Å; F392-V396 HydrophobicContact CZ-CG2 3.61Å; F392-V396 VanDerWaalsContact O-CG2 3.31Å; F392-V396 WeakPolarHBondContact O-CG2 3.48Å; F392-V396 PolarHBondContact O-N 3.34Å
393M83.7Confident86.4Confident66 Ų6665.6 Ų65.633%0.32532%0.324SS..Hα-helixtrans-66.1-32.2-177.4-71.8-61.1-64.400112.7Q370 D389 E390 A397Q370-M393 HydrophobicContact CG-SD 4.44Å; Q370-M393 PolarHBondContact NE2-SD 3.35Å; Q370-M393 VanDerWaalsContact NE2-SD 3.4Å; D389-M393 WeakPolarHBondContact O-CB 3.48Å; D389-M393 WeakPolarHBondContact O-CG 3.49Å; D389-M393 PolarHBondContact O-N 3.5Å; E390-M393 PolarHBondContact O-N 2.98Å; M393-A397 VanDerWaalsContact O-CB 3.29Å; M393-A397 WeakPolarHBondContact O-CB 3.31Å; M393-A397 PolarHBondContact O-N 3.41Å
394D81.5Confident86.5Confident59 Ų5960.9 Ų60.932%0.31631%0.307SS..Hα-helixtrans-64.7-47.4175.1-175.345.8000111.5E390 E391 F392 A397 K398E390-D394 PolarHBondContact O-N 3.42Å; E391-D394 PolarHBondContact O-N 2.94Å; F392-D394 VanDerWaalsContact C-N 3.31Å; F392-D394 PolarHBondContact O-N 3.19Å; D394-A397 WeakPolarHBondContact O-CB 3.48Å; D394-A397 PolarHBondContact O-N 3.24Å; D394-K398 WeakPolarHBondContact O-CG 3.25Å; D394-K398 PolarHBondContact O-N 3.25Å; D394-K398 WeakPolarHBondContact OD2-CE 3.36Å; D394-K398 IonicContact OD2-NZ 2.64Å; D394-K398 PolarHBondContact OD2-NZ 3.47Å
395D86.1Confident86.6Confident64 Ų6460.8 Ų60.834%0.34230%0.304SS..Hα-helixtrans-69.4-36.4178.3-82-8.9000112.6Y386 E391 F392 A397 K398 V399Y386-D395 HydrophobicContact CE1-CB 4.34Å; E391-D395 PolarHBondContact O-N 3.35Å; F392-D395 PolarHBondContact O-N 2.83Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3.12Å; D395-K398 PolarHBondContact O-N 2.93Å; D395-K398 IonicContact OD1-NZ 2.68Å; D395-K398 PolarHBondContact OD1-NZ 3.39Å; D395-V399 WeakPolarHBondContact O-CG2 3.45Å; D395-V399 PolarHBondContact O-N 3.29Å
396V87.2Confident86.5Confident38 Ų3863.7 Ų63.723%0.2332%0.318CS..Hα-helixtrans-62.7-39.9171.3171.60000111.2F392 V399 R400F392-V396 HydrophobicContact CD1-CG2 4.3Å; F392-V396 HydrophobicContact CD2-CG2 4.15Å; F392-V396 HydrophobicContact CE1-CG2 3.9Å; F392-V396 HydrophobicContact CE2-CG2 3.74Å; F392-V396 HydrophobicContact CG-CG2 4.43Å; F392-V396 HydrophobicContact CZ-CG2 3.61Å; F392-V396 VanDerWaalsContact O-CG2 3.31Å; F392-V396 WeakPolarHBondContact O-CG2 3.48Å; F392-V396 PolarHBondContact O-N 3.34Å; V396-V399 PolarHBondContact O-N 2.89Å; V396-R400 WeakPolarHBondContact O-CB 3.36Å; V396-R400 PolarHBondContact O-N 3.13Å
397A83.6Confident86.6Confident31 Ų3164.2 Ų64.226%0.25632%0.323SS..Hα-helixtrans-62.7-43.9175.100000111.5M393 D394 D395 V399 R400 E401M393-A397 VanDerWaalsContact O-CB 3.29Å; M393-A397 WeakPolarHBondContact O-CB 3.31Å; M393-A397 PolarHBondContact O-N 3.41Å; D394-A397 WeakPolarHBondContact O-CB 3.48Å; D394-A397 PolarHBondContact O-N 3.24Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3.12Å; A397-V399 VanDerWaalsContact C-N 3.33Å; A397-V399 PolarHBondContact O-N 3.22Å; A397-R400 WeakPolarHBondContact O-CB 3.49Å; A397-R400 PolarHBondContact O-N 3.03Å; A397-E401 WeakPolarHBondContact O-CG 3.5Å; A397-E401 PolarHBondContact O-N 3.01Å
398K87.7Confident87Confident88 Ų8861 Ų6138%0.38330%0.3SS..Hα-helixtrans-60.7-39.6174.6-67.3169.5-160.8152.30112.4D394 D395 R402D394-K398 WeakPolarHBondContact O-CG 3.25Å; D394-K398 PolarHBondContact O-N 3.25Å; D394-K398 WeakPolarHBondContact OD2-CE 3.36Å; D394-K398 IonicContact OD2-NZ 2.64Å; D394-K398 PolarHBondContact OD2-NZ 3.47Å; D395-K398 PolarHBondContact O-N 2.93Å; D395-K398 IonicContact OD1-NZ 2.68Å; D395-K398 PolarHBondContact OD1-NZ 3.39Å; K398-R402 WeakPolarHBondContact O-CG 3.37Å; K398-R402 PolarHBondContact O-N 3.39Å; K398-R402 VanDerWaalsContact O-N 3.1Å
399V89.5Confident87.5Confident45 Ų4565.2 Ų65.227%0.27331%0.314SS..Hα-helixtrans-64.5-44.8175172.20000110.5L362 D395 V396 A397 E401 R402 C403L362-V399 HydrophobicContact CD2-CG1 3.9Å; D395-V399 WeakPolarHBondContact O-CG2 3.45Å; D395-V399 PolarHBondContact O-N 3.29Å; V396-V399 PolarHBondContact O-N 2.89Å; A397-V399 VanDerWaalsContact C-N 3.33Å; A397-V399 PolarHBondContact O-N 3.22Å; V399-E401 PolarHBondContact O-N 2.93Å; V399-R402 PolarHBondContact O-N 2.63Å; V399-C403 PolarHBondContact O-N 3.35Å; V399-C403 PolarHBondContact O-SG 2.86Å; V399-C403 VanDerWaalsContact O-SG 3.41Å
400R87.2Confident87.7Confident117 Ų11768 Ų6844%0.44233%0.329SS..Hα-helixtrans-57.9-47.8176.2-176.3179.465.5-167.7-2.9111.5V396 A397 R402 C403 L404V396-R400 WeakPolarHBondContact O-CB 3.36Å; V396-R400 PolarHBondContact O-N 3.13Å; A397-R400 WeakPolarHBondContact O-CB 3.49Å; A397-R400 PolarHBondContact O-N 3.03Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 2.91Å; R400-C403 WeakPolarHBondContact O-CB 3.46Å; R400-C403 PolarHBondContact O-N 3.41Å; R400-C403 VanDerWaalsContact O-N 3.12Å; R400-L404 HydrophobicContact CG-CD1 4.27Å; R400-L404 HydrophobicContact CG-CG 4.49Å; R400-L404 WeakPolarHBondContact O-CG 3.07Å; R400-L404 PolarHBondContact O-N 3.4Å
401E88.2Confident88.6Confident97 Ų9766.4 Ų66.445%0.45332%0.322SS..Hα-helixtrans-60.6-40.1177.9-71.9-48125.900112.6A397 V399 L404 S405A397-E401 WeakPolarHBondContact O-CG 3.5Å; A397-E401 PolarHBondContact O-N 3.01Å; V399-E401 PolarHBondContact O-N 2.93Å; E401-L404 PolarHBondContact O-N 2.83Å; E401-S405 PolarHBondContact O-N 3.47Å
402R90.9Very high88.9Confident177 Ų17767.7 Ų67.767%0.66833%0.328SS*.Hα-helixtrans-63-42.4173.9-72.3171.9179.3174.92.7111.8K398 V399 R400 S405 I406K398-R402 WeakPolarHBondContact O-CG 3.37Å; K398-R402 PolarHBondContact O-N 3.39Å; K398-R402 VanDerWaalsContact O-N 3.1Å; V399-R402 PolarHBondContact O-N 2.63Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 2.91Å; R402-S405 PolarHBondContact O-N 3.23Å; R402-I406 WeakPolarHBondContact O-CG1 3.14Å; R402-I406 PolarHBondContact O-N 2.96Å
403C91Very high88.8Confident42 Ų4272.5 Ų72.528%0.28436%0.361SS..Hα-helixtrans-62.2-45.1175.2-71.90000111.8V399 R400 S405 I406 I407V399-C403 PolarHBondContact O-N 3.35Å; V399-C403 PolarHBondContact O-SG 2.86Å; V399-C403 VanDerWaalsContact O-SG 3.41Å; R400-C403 WeakPolarHBondContact O-CB 3.46Å; R400-C403 PolarHBondContact O-N 3.41Å; R400-C403 VanDerWaalsContact O-N 3.12Å; C403-S405 VanDerWaalsContact C-N 3.32Å; C403-S405 PolarHBondContact O-N 3.38Å; C403-I406 WeakPolarHBondContact O-CB 3.13Å; C403-I406 PolarHBondContact O-N 3.03Å; C403-I406 VanDerWaalsContact O-N 3.12Å; C403-I407 WeakPolarHBondContact O-CG1 3.47Å; C403-I407 PolarHBondContact O-N 2.89Å
404L92.2Very high89.1Confident11 Ų1173.6 Ų73.66%0.05837%0.371CS..Hα-helixtrans-61.6-40.6175.8-67.2175.8000111.3R400 E401 I406 I407 R408 V448 T451R400-L404 HydrophobicContact CG-CD1 4.27Å; R400-L404 HydrophobicContact CG-CG 4.49Å; R400-L404 WeakPolarHBondContact O-CG 3.07Å; R400-L404 PolarHBondContact O-N 3.4Å; E401-L404 PolarHBondContact O-N 2.83Å; L404-I406 VanDerWaalsContact C-N 3.3Å; L404-I406 PolarHBondContact O-N 3.01Å; L404-I407 PolarHBondContact O-N 3.48Å; L404-R408 WeakPolarHBondContact O-CB 3.21Å; L404-R408 PolarHBondContact O-N 3.37Å; L404-V448 HydrophobicContact CD2-CG2 3.99Å; L404-T451 HydrophobicContact CB-CG2 4.35Å; L404-T451 WeakPolarHBondContact O-CG2 3.03Å
405S92.6Very high89.6Confident41 Ų4173.9 Ų73.929%0.28737%0.368SS..Hα-helixtrans-63.2-34.1174-179.60000113.1E401 R402 C403 K409E401-S405 PolarHBondContact O-N 3.47Å; R402-S405 PolarHBondContact O-N 3.23Å; C403-S405 VanDerWaalsContact C-N 3.32Å; C403-S405 PolarHBondContact O-N 3.38Å; S405-K409 WeakPolarHBondContact O-CG 3.49Å; S405-K409 PolarHBondContact O-N 2.79Å
406I90Very high89.8Confident114 Ų11472.9 Ų72.959%0.58537%0.369SS*.Hα-helixtrans-68.6-48.5175.6-69165.2000109.6R402 C403 L404 R408 K409 D410R402-I406 WeakPolarHBondContact O-CG1 3.14Å; R402-I406 PolarHBondContact O-N 2.96Å; C403-I406 WeakPolarHBondContact O-CB 3.13Å; C403-I406 PolarHBondContact O-N 3.03Å; C403-I406 VanDerWaalsContact O-N 3.12Å; L404-I406 VanDerWaalsContact C-N 3.3Å; L404-I406 PolarHBondContact O-N 3.01Å; I406-R408 VanDerWaalsContact C-N 3.29Å; I406-R408 PolarHBondContact O-N 2.68Å; I406-K409 PolarHBondContact O-N 3.15Å; I406-K409 VanDerWaalsContact O-N 3.13Å; I406-D410 WeakPolarHBondContact O-CB 3.44Å; I406-D410 PolarHBondContact O-N 3.12Å
407I92Very high90.1Very high48 Ų4875 Ų7525%0.24638%0.383CS..Hα-helixtrans-56.2-45.9177.2-67.4166.2000110.3C403 L404 K409 D410 V411 I452C403-I407 WeakPolarHBondContact O-CG1 3.47Å; C403-I407 PolarHBondContact O-N 2.89Å; L404-I407 PolarHBondContact O-N 3.48Å; I407-K409 VanDerWaalsContact C-N 3.31Å; I407-K409 PolarHBondContact O-N 3.14Å; I407-D410 PolarHBondContact O-N 3.39Å; I407-V411 HydrophobicContact CG2-CG2 4.26Å; I407-V411 VanDerWaalsContact O-CG2 3.24Å; I407-V411 WeakPolarHBondContact O-CG2 3.32Å; I407-V411 PolarHBondContact O-N 3.42Å; I407-I452 HydrophobicContact CG2-CD1 3.9Å; I407-I452 HydrophobicContact CG2-CG1 3.65Å
408R93.7Very high90.4Very high78 Ų7874.5 Ų74.529%0.29438%0.378SS..Hα-helixtrans-55.1-45.3177.5-170.7-176.3-65127.51.4112.2L404 I406 Q412 T451 A455L404-R408 WeakPolarHBondContact O-CB 3.21Å; L404-R408 PolarHBondContact O-N 3.37Å; I406-R408 VanDerWaalsContact C-N 3.29Å; I406-R408 PolarHBondContact O-N 2.68Å; R408-Q412 WeakPolarHBondContact O-CG 3.35Å; R408-Q412 PolarHBondContact O-N 3.08Å; R408-T451 HydrophobicContact CB-CG2 3.88Å; R408-T451 HydrophobicContact CG-CG2 4.49Å; R408-A455 HydrophobicContact CG-CB 3.95Å
409K90.2Very high90.5Very high133 Ų13371 Ų7158%0.57836%0.362SS*.Hα-helixtrans-71.8-36.4178.8-72179.4179.5178.30112.5S405 I406 I407 Q412 C413S405-K409 WeakPolarHBondContact O-CG 3.49Å; S405-K409 PolarHBondContact O-N 2.79Å; I406-K409 PolarHBondContact O-N 3.15Å; I406-K409 VanDerWaalsContact O-N 3.13Å; I407-K409 VanDerWaalsContact C-N 3.31Å; I407-K409 PolarHBondContact O-N 3.14Å; K409-Q412 PolarHBondContact O-N 3.34Å; K409-C413 PolarHBondContact O-N 2.84Å; K409-C413 PolarHBondContact O-SG 3.45Å
410D90Very high90.6Very high85 Ų8573.5 Ų73.546%0.45537%0.374SS..Hα-helixtrans-64.1-45.6177.1-173.263.4000111.1I406 I407 Q412 C413 V414I406-D410 WeakPolarHBondContact O-CB 3.44Å; I406-D410 PolarHBondContact O-N 3.12Å; I407-D410 PolarHBondContact O-N 3.39Å; D410-Q412 VanDerWaalsContact C-N 3.26Å; D410-Q412 PolarHBondContact O-N 2.72Å; D410-C413 CarbonylContact O-C 3.36Å; D410-C413 WeakPolarHBondContact O-CA 3.4Å; D410-C413 WeakPolarHBondContact O-CB 3.36Å; D410-C413 PolarHBondContact O-N 3.29Å; D410-V414 PolarHBondContact O-N 2.67Å
411V92.1Very high90.8Very high0 Ų073.3 Ų73.30%038%0.377CS..Hα-helixtrans-58.2-39.4175.2174.10000111.6I407 C413 Y415 I452 A455 L456I407-V411 HydrophobicContact CG2-CG2 4.26Å; I407-V411 VanDerWaalsContact O-CG2 3.24Å; I407-V411 WeakPolarHBondContact O-CG2 3.32Å; I407-V411 PolarHBondContact O-N 3.42Å; V411-C413 PolarHBondContact O-N 2.93Å; V411-Y415 WeakPolarHBondContact O-CA 3.49Å; V411-Y415 WeakPolarHBondContact O-CB 3.3Å; V411-Y415 PolarHBondContact O-N 3.15Å; V411-I452 HydrophobicContact CG2-CG1 3.93Å; V411-I452 HydrophobicContact CG2-CG2 4.31Å; V411-A455 HydrophobicContact CB-CB 3.88Å; V411-A455 HydrophobicContact CG1-CB 3.68Å; V411-L456 HydrophobicContact CG1-CD2 3.77Å; V411-L456 HydrophobicContact CG1-CG 3.98Å
412Q88Confident91Very high83 Ų8368.8 Ų68.839%0.38836%0.356SS..Hα-helixtrans-65.8-21.4176.8-73.3177.1-20.300113.4R408 K409 D410R408-Q412 WeakPolarHBondContact O-CG 3.35Å; R408-Q412 PolarHBondContact O-N 3.08Å; K409-Q412 PolarHBondContact O-N 3.34Å; D410-Q412 VanDerWaalsContact C-N 3.26Å; D410-Q412 PolarHBondContact O-N 2.72Å
413C87.9Confident90.9Very high106 Ų10660.7 Ų60.772%0.71633%0.326SS*.Hα-helixtrans-94.7-47.3176.6-61.10000111.9K409 D410 V411K409-C413 PolarHBondContact O-N 2.84Å; K409-C413 PolarHBondContact O-SG 3.45Å; D410-C413 CarbonylContact O-C 3.36Å; D410-C413 WeakPolarHBondContact O-CA 3.4Å; D410-C413 WeakPolarHBondContact O-CB 3.36Å; D410-C413 PolarHBondContact O-N 3.29Å; V411-C413 PolarHBondContact O-N 2.93Å
414V90.3Very high91Very high89 Ų8962 Ų6254%0.53933%0.333SS..  trans-144.299.6-178.6-176.30000109.4D410 P417D410-V414 PolarHBondContact O-N 2.67Å; V414-P417 HydrophobicContact CG1-CG 4.38Å
415Y90.8Very high91Very high64 Ų6465.2 Ų65.225%0.25134%0.344SS..  trans-87.1-32.4-170.176.6-89.1000115.4V411 S418 Y419 L456 L459 V463 I467V411-Y415 WeakPolarHBondContact O-CA 3.49Å; V411-Y415 WeakPolarHBondContact O-CB 3.3Å; V411-Y415 PolarHBondContact O-N 3.15Å; Y415-S418 PolarHBondContact O-N 3.35Å; Y415-Y419 WeakPolarHBondContact O-CB 3.46Å; Y415-Y419 PolarHBondContact O-N 2.95Å; Y415-L456 HydrophobicContact CD2-CD2 3.73Å; Y415-L456 HydrophobicContact CG-CD2 3.9Å; Y415-L459 HydrophobicContact CD1-CD1 3.89Å; Y415-L459 HydrophobicContact CG-CD1 3.86Å; Y415-V463 HydrophobicContact CD1-CG1 3.97Å; Y415-V463 HydrophobicContact CD2-CG1 4.44Å; Y415-V463 HydrophobicContact CE1-CB 4.49Å; Y415-V463 HydrophobicContact CE1-CG1 3.46Å; Y415-V463 VanDerWaalsContact CE1-CG1 3.46Å; Y415-V463 HydrophobicContact CE1-CG2 4.19Å; Y415-V463 HydrophobicContact CE2-CG1 3.98Å; Y415-V463 HydrophobicContact CG-CG1 4.44Å; Y415-V463 VanDerWaalsContact CZ-CG1 3.47Å; Y415-I467 HydrophobicContact CD2-CD1 4.3Å; Y415-I467 HydrophobicContact CE2-CD1 4.11Å; Y415-I467 HydrophobicContact CE2-CG1 4.34Å
416A90.6Very high91.1Very high43 Ų4363.2 Ų63.236%0.35533%0.33SS..Hα-helixtrans-58.1-47.1-164.400000114.5S418 Y419 D420A416-S418 VanDerWaalsContact C-N 3.35Å; A416-S418 PolarHBondContact O-N 3.04Å; A416-Y419 PolarHBondContact O-N 3.33Å; A416-D420 WeakPolarHBondContact O-CB 3.43Å; A416-D420 PolarHBondContact O-N 3.44Å
417P92.9Very high91.3Very high83 Ų8362.8 Ų62.854%0.53932%0.321SS..Hα-helixtrans-62.9-40.6179.7-21.533.9000113V414 F421V414-P417 HydrophobicContact CG1-CG 4.38Å; P417-F421 WeakPolarHBondContact O-CB 3.28Å; P417-F421 PolarHBondContact O-N 3.46Å
418S91.6Very high91.3Very high21 Ų2164.1 Ų64.115%0.14733%0.329CS..Hα-helixtrans-68.1-39.4179.3-64.20000111.3Y415 A416 V422Y415-S418 PolarHBondContact O-N 3.35Å; A416-S418 VanDerWaalsContact C-N 3.35Å; A416-S418 PolarHBondContact O-N 3.04Å; S418-V422 WeakPolarHBondContact O-CG2 3.44Å; S418-V422 PolarHBondContact O-N 3.19Å; S418-V422 VanDerWaalsContact O-N 3.14Å
419Y89.9Confident91.2Very high14 Ų1460.7 Ų60.76%0.05532%0.317CS..Hα-helixtrans-66.5-46.5175.7-175.6-121000112.3Y415 A416 F421 V422 L423 L456 I467 T470Y415-Y419 WeakPolarHBondContact O-CB 3.46Å; Y415-Y419 PolarHBondContact O-N 2.95Å; A416-Y419 PolarHBondContact O-N 3.33Å; Y419-F421 VanDerWaalsContact C-N 3.29Å; Y419-F421 PolarHBondContact O-N 3.48Å; Y419-V422 PolarHBondContact O-N 3.26Å; Y419-L423 HydrophobicContact CD1-CD1 4.02Å; Y419-L423 HydrophobicContact CD2-CG 4.29Å; Y419-L423 HydrophobicContact CE1-CD1 3.43Å; Y419-L423 VanDerWaalsContact CE1-CD1 3.43Å; Y419-L423 HydrophobicContact CE1-CG 4.22Å; Y419-L423 HydrophobicContact CE2-CD1 4Å; Y419-L423 HydrophobicContact CE2-CD2 4.08Å; Y419-L423 HydrophobicContact CE2-CG 3.93Å; Y419-L423 VanDerWaalsContact CZ-CD1 3.41Å; Y419-L423 WeakPolarHBondContact O-CG 3.42Å; Y419-L423 PolarHBondContact O-N 2.91Å; Y419-L456 HydrophobicContact CD2-CD1 3.38Å; Y419-L456 HydrophobicContact CE2-CD1 3.87Å; Y419-L456 HydrophobicContact CG-CD1 4.13Å; Y419-I467 HydrophobicContact CE1-CG1 4.29Å; Y419-I467 HydrophobicContact CE1-CG2 4.44Å; Y419-I467 HydrophobicContact CE2-CG2 4.22Å; Y419-T470 PolarHBondContact OH-OG1 3.44Å; Y419-T470 VanDerWaalsContact OH-OG1 3.06Å
420D90.9Very high91.4Very high97 Ų9755.5 Ų55.552%0.51930%0.295SS..Hα-helixtrans-61-39.1177.3-76.3-22.6000112.1A416 T424A416-D420 WeakPolarHBondContact O-CB 3.43Å; A416-D420 PolarHBondContact O-N 3.44Å; D420-T424 WeakPolarHBondContact O-CB 3.49Å; D420-T424 PolarHBondContact O-N 3.32Å; D420-T424 PolarHBondContact O-OG1 3.08Å
421F92Very high91.5Very high114 Ų11460.4 Ų60.450%0.531%0.307SS..Hα-helixtrans-59.8-50.8175.1174.5-99.4000111.5P417 Y419 T424 W425P417-F421 WeakPolarHBondContact O-CB 3.28Å; P417-F421 PolarHBondContact O-N 3.46Å; Y419-F421 VanDerWaalsContact C-N 3.29Å; Y419-F421 PolarHBondContact O-N 3.48Å; F421-T424 PolarHBondContact O-N 3.47Å; F421-W425 AromaticContact CE1-CE3 3.53Å; F421-W425 HydrophobicContact CE1-CE3 3.53Å; F421-W425 AromaticContact CE1-CZ3 3.79Å; F421-W425 HydrophobicContact CE1-CZ3 3.79Å; F421-W425 AromaticContact CZ-CE3 3.64Å; F421-W425 HydrophobicContact CZ-CE3 3.64Å; F421-W425 AromaticContact CZ-CZ3 3.83Å; F421-W425 HydrophobicContact CZ-CZ3 3.83Å; F421-W425 PolarHBondContact O-N 3.28Å
422V91.9Very high91.6Very high2 Ų263.2 Ų63.21%0.01233%0.327CS..Hα-helixtrans-64.8-42.4-178.7171.90000111.8S418 Y419 T424 W425 L426 Y445 V448 Y449 I452S418-V422 WeakPolarHBondContact O-CG2 3.44Å; S418-V422 PolarHBondContact O-N 3.19Å; S418-V422 VanDerWaalsContact O-N 3.14Å; Y419-V422 PolarHBondContact O-N 3.26Å; V422-T424 VanDerWaalsContact C-N 3.32Å; V422-T424 PolarHBondContact O-N 2.95Å; V422-W425 PolarHBondContact O-N 3.44Å; V422-L426 WeakPolarHBondContact O-CB 3.26Å; V422-L426 PolarHBondContact O-N 2.94Å; V422-Y445 HydrophobicContact CG1-CE2 4.39Å; V422-V448 HydrophobicContact CG2-CG1 4.35Å; V422-Y449 HydrophobicContact CG1-CD2 3.38Å; V422-Y449 HydrophobicContact CG1-CE2 4.17Å; V422-Y449 HydrophobicContact CG1-CG 4.23Å; V422-I452 HydrophobicContact CG2-CB 4.18Å; V422-I452 HydrophobicContact CG2-CD1 3.25Å; V422-I452 HydrophobicContact CG2-CG1 4.24Å; V422-I452 HydrophobicContact CG2-CG2 4.2Å
423L89.1Confident91.8Very high6 Ų659.7 Ų59.73%0.03131%0.311CS..Hα-helixtrans-66.3-35.4177.9-71.4-173.9000112.7Y419 W425 L426 R427Y419-L423 HydrophobicContact CD1-CD1 4.02Å; Y419-L423 HydrophobicContact CD2-CG 4.29Å; Y419-L423 HydrophobicContact CE1-CD1 3.43Å; Y419-L423 VanDerWaalsContact CE1-CD1 3.43Å; Y419-L423 HydrophobicContact CE1-CG 4.22Å; Y419-L423 HydrophobicContact CE2-CD1 4Å; Y419-L423 HydrophobicContact CE2-CD2 4.08Å; Y419-L423 HydrophobicContact CE2-CG 3.93Å; Y419-L423 VanDerWaalsContact CZ-CD1 3.41Å; Y419-L423 WeakPolarHBondContact O-CG 3.42Å; Y419-L423 PolarHBondContact O-N 2.91Å; L423-W425 VanDerWaalsContact C-N 3.35Å; L423-L426 HydrophobicContact CD2-CD2 4.36Å; L423-L426 PolarHBondContact O-N 3.19Å; L423-R427 WeakPolarHBondContact O-CG 3.4Å; L423-R427 PolarHBondContact O-N 3.26Å
424T92.3Very high91.9Very high71 Ų7159.3 Ų59.344%0.43630%0.299SS..Hα-helixtrans-63.3-46174.7-59.60000110.2D420 F421 V422 L426 R427 D428D420-T424 WeakPolarHBondContact O-CB 3.49Å; D420-T424 PolarHBondContact O-N 3.32Å; D420-T424 PolarHBondContact O-OG1 3.08Å; F421-T424 PolarHBondContact O-N 3.47Å; V422-T424 VanDerWaalsContact C-N 3.32Å; V422-T424 PolarHBondContact O-N 2.95Å; T424-L426 PolarHBondContact O-N 3.02Å; T424-R427 PolarHBondContact O-N 3.14Å; T424-D428 PolarHBondContact O-N 3.49Å; T424-D428 VanDerWaalsContact O-N 3.17Å
425W93.1Very high92Very high77 Ų7761 Ų6129%0.29230%0.304SS..Hα-helixtrans-63.3-40.5176.6-159.1-11.3000111.9F421 V422 L423 R427 D428 V429 Y445F421-W425 AromaticContact CE1-CE3 3.53Å; F421-W425 HydrophobicContact CE1-CE3 3.53Å; F421-W425 AromaticContact CE1-CZ3 3.79Å; F421-W425 HydrophobicContact CE1-CZ3 3.79Å; F421-W425 AromaticContact CZ-CE3 3.64Å; F421-W425 HydrophobicContact CZ-CE3 3.64Å; F421-W425 AromaticContact CZ-CZ3 3.83Å; F421-W425 HydrophobicContact CZ-CZ3 3.83Å; F421-W425 PolarHBondContact O-N 3.28Å; V422-W425 PolarHBondContact O-N 3.44Å; L423-W425 VanDerWaalsContact C-N 3.35Å; W425-R427 VanDerWaalsContact C-N 3.33Å; W425-R427 PolarHBondContact O-N 3.2Å; W425-D428 PolarHBondContact O-N 3.22Å; W425-D428 VanDerWaalsContact O-N 3.12Å; W425-V429 WeakPolarHBondContact O-CG2 3.45Å; W425-V429 PolarHBondContact O-N 3.31Å; W425-Y445 HydrophobicContact CB-CD2 4.09Å; W425-Y445 HydrophobicContact CB-CE2 3.75Å; W425-Y445 AromaticContact CD2-CD2 3.28Å; W425-Y445 HydrophobicContact CD2-CD2 3.28Å; W425-Y445 AromaticContact CD2-CE2 3.91Å; W425-Y445 HydrophobicContact CD2-CE2 3.91Å; W425-Y445 HydrophobicContact CD2-CG 4.02Å; W425-Y445 AromaticContact CE2-CD2 3.71Å; W425-Y445 AromaticContact CE2-CG 3.96Å; W425-Y445 AromaticContact CE3-CD2 3.47Å; W425-Y445 HydrophobicContact CE3-CD2 3.47Å; W425-Y445 VanDerWaalsContact CE3-CD2 3.47Å; W425-Y445 HydrophobicContact CE3-CE2 4.19Å; W425-Y445 HydrophobicContact CE3-CG 4.38Å; W425-Y445 AromaticContact CG-CD2 3.56Å; W425-Y445 HydrophobicContact CG-CD2 3.56Å; W425-Y445 AromaticContact CG-CE2 3.71Å; W425-Y445 HydrophobicContact CG-CE2 3.71Å; W425-Y445 HydrophobicContact CG-CG 4.36Å; W425-Y445 HydrophobicContact CH2-CD2 4.4Å; W425-Y445 HydrophobicContact CZ2-CD2 4.28Å; W425-Y445 HydrophobicContact CZ2-CG 4.3Å; W425-Y445 HydrophobicContact CZ3-CD2 4.02Å
426L94Very high92Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-56.5-45.2174.118061.8000111.9V422 L423 T424 D428 V429 L430 Y445 H474 V478 L498 L502V422-L426 WeakPolarHBondContact O-CB 3.26Å; V422-L426 PolarHBondContact O-N 2.94Å; L423-L426 HydrophobicContact CD2-CD2 4.36Å; L423-L426 PolarHBondContact O-N 3.19Å; T424-L426 PolarHBondContact O-N 3.02Å; L426-D428 VanDerWaalsContact C-N 3.28Å; L426-D428 PolarHBondContact O-N 2.88Å; L426-V429 WeakPolarHBondContact O-CB 3.05Å; L426-V429 PolarHBondContact O-N 3.16Å; L426-L430 HydrophobicContact CD1-CD1 4Å; L426-L430 HydrophobicContact CD1-CG 4.11Å; L426-L430 HydrophobicContact CG-CD1 3.94Å; L426-L430 HydrophobicContact CG-CG 4.39Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 3.49Å; L426-Y445 WeakPolarHBondContact CA-OH 3.3Å; L426-Y445 VanDerWaalsContact CB-OH 3.27Å; L426-Y445 WeakPolarHBondContact CB-OH 3.5Å; L426-Y445 WeakPolarHBondContact CD1-OH 3.35Å; L426-H474 HydrophobicContact CD2-CB 3.94Å; L426-V478 HydrophobicContact CD1-CG2 4.21Å; L426-L498 HydrophobicContact CD1-CD1 3.85Å; L426-L498 HydrophobicContact CD1-CD2 4.28Å; L426-L502 HydrophobicContact CD2-CD1 3.82Å
427R93.9Very high91.8Very high104 Ų10457.9 Ų57.939%0.39229%0.29SS..Hα-helixtrans-63.5-36.9178.3-69.1176.8-155.7139.55.8111.8L423 T424 W425 L430 R431 H474L423-R427 WeakPolarHBondContact O-CG 3.4Å; L423-R427 PolarHBondContact O-N 3.26Å; T424-R427 PolarHBondContact O-N 3.14Å; W425-R427 VanDerWaalsContact C-N 3.33Å; W425-R427 PolarHBondContact O-N 3.2Å; R427-L430 PolarHBondContact O-N 3.3Å; R427-R431 WeakPolarHBondContact O-CG 3.46Å; R427-R431 PolarHBondContact O-N 2.95Å; R427-R431 VanDerWaalsContact O-N 3.11Å; R427-H474 PolarHBondContact NE-NE2 3.42Å; R427-H474 PolarHBondContact NH2-NE2 3.43Å
428D91.6Very high91.5Very high77 Ų7758.4 Ų58.441%0.41230%0.296SS..Hα-helixtrans-67.7-39.8176.1-71.4-27.8000111.9T424 W425 L426 R431T424-D428 PolarHBondContact O-N 3.49Å; T424-D428 VanDerWaalsContact O-N 3.17Å; W425-D428 PolarHBondContact O-N 3.22Å; W425-D428 VanDerWaalsContact O-N 3.12Å; L426-D428 VanDerWaalsContact C-N 3.28Å; L426-D428 PolarHBondContact O-N 2.88Å; D428-R431 PolarHBondContact O-N 3.47Å; D428-R431 IonicContact OD1-CZ 3.39Å; D428-R431 IonicContact OD1-NH1 2.67Å; D428-R431 PolarHBondContact OD1-NH1 3.5Å
429V92.7Very high91.3Very high5 Ų559.3 Ų59.33%0.0330%0.302CS..Hα-helixtrans-57.6-49.5170.8168.50000110.5W425 L426 R431 S432 P433 A436 F442 Y445W425-V429 WeakPolarHBondContact O-CG2 3.45Å; W425-V429 PolarHBondContact O-N 3.31Å; L426-V429 WeakPolarHBondContact O-CB 3.05Å; L426-V429 PolarHBondContact O-N 3.16Å; V429-R431 VanDerWaalsContact C-N 3.25Å; V429-R431 PolarHBondContact O-N 2.95Å; V429-S432 CarbonylContact O-C 3.6Å; V429-S432 VanDerWaalsContact O-C 3.25Å; V429-S432 PolarHBondContact O-N 3.28Å; V429-P433 WeakPolarHBondContact O-CA 3.43Å; V429-A436 HydrophobicContact CB-CB 4.18Å; V429-A436 HydrophobicContact CG1-CB 4Å; V429-A436 HydrophobicContact CG2-CB 4.19Å; V429-F442 HydrophobicContact CG1-CE2 3.71Å; V429-F442 HydrophobicContact CG2-CD2 4.36Å; V429-F442 HydrophobicContact CG2-CE2 4.04Å; V429-Y445 HydrophobicContact CG2-CD1 4.18Å; V429-Y445 HydrophobicContact CG2-CE1 3.98Å
430L93.6Very high90.8Very high25 Ų2566.8 Ų66.813%0.13134%0.335CS..Hα-helixtrans-71.9-14.8-174.8-65.3176.7000113.9L426 R427 M477 V478 A481 L495L426-L430 HydrophobicContact CD1-CD1 4Å; L426-L430 HydrophobicContact CD1-CG 4.11Å; L426-L430 HydrophobicContact CG-CD1 3.94Å; L426-L430 HydrophobicContact CG-CG 4.39Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 3.49Å; R427-L430 PolarHBondContact O-N 3.3Å; L430-M477 HydrophobicContact CD1-CB 3.81Å; L430-M477 HydrophobicContact CD1-CE 4.1Å; L430-V478 HydrophobicContact CD1-CG2 4.01Å; L430-V478 HydrophobicContact CD2-CG2 4.31Å; L430-A481 HydrophobicContact CD2-CB 3.85Å; L430-L495 HydrophobicContact CD2-CD2 4.18Å
431R93.6Very high90.5Very high187 Ų18766.1 Ų66.171%0.70633%0.331SS*.Hα-helixtrans-70.5-34172.1-79170179.1166.6-4.7112.6R427 D428 V429R427-R431 WeakPolarHBondContact O-CG 3.46Å; R427-R431 PolarHBondContact O-N 2.95Å; R427-R431 VanDerWaalsContact O-N 3.11Å; D428-R431 PolarHBondContact O-N 3.47Å; D428-R431 IonicContact OD1-CZ 3.39Å; D428-R431 IonicContact OD1-NH1 2.67Å; D428-R431 PolarHBondContact OD1-NH1 3.5Å; V429-R431 VanDerWaalsContact C-N 3.25Å; V429-R431 PolarHBondContact O-N 2.95Å
432S92.8Very high90.3Very high59 Ų5961 Ų6141%0.41331%0.309SS..SBendtrans-145.272.4179.1-65.90000111V429 E434 L435 A436V429-S432 CarbonylContact O-C 3.6Å; V429-S432 VanDerWaalsContact O-C 3.25Å; V429-S432 PolarHBondContact O-N 3.28Å; S432-E434 PolarHBondContact O-N 2.91Å; S432-L435 PolarHBondContact O-N 3.43Å; S432-A436 WeakPolarHBondContact O-CB 2.91Å; S432-A436 PolarHBondContact O-N 3.22Å
433P92.5Very high90Very high10 Ų1066.2 Ų66.27%0.06533%0.333CS..Hα-helixtrans-56-44.9-171.9-29.838.4000114.3V429 L435 A436 T437 L495V429-P433 WeakPolarHBondContact O-CA 3.43Å; P433-L435 PolarHBondContact O-N 2.94Å; P433-A436 PolarHBondContact O-N 3.38Å; P433-T437 WeakPolarHBondContact O-CB 3.48Å; P433-T437 VanDerWaalsContact O-CG2 3.27Å; P433-T437 WeakPolarHBondContact O-CG2 3.46Å; P433-T437 PolarHBondContact O-N 3.37Å; P433-T437 PolarHBondContact O-OG1 3.05Å; P433-L495 HydrophobicContact CB-CD1 4.18Å; P433-L495 HydrophobicContact CB-CD2 4.26Å
434E91.1Very high89.8Confident98 Ų9868.4 Ų68.446%0.45835%0.349SS..Hα-helixtrans-63.1-43.6-178.2-59-170.6146.300112.2S432 T437 S438 H485 N488 C491S432-E434 PolarHBondContact O-N 2.91Å; E434-T437 PolarHBondContact O-OG1 3.47Å; E434-S438 WeakPolarHBondContact O-CB 3.44Å; E434-S438 PolarHBondContact O-N 2.97Å; E434-S438 VanDerWaalsContact O-N 3.16Å; E434-S438 PolarHBondContact O-OG 3.17Å; E434-H485 IonicContact OE1-CD2 3.76Å; E434-N488 PolarHBondContact OE1-ND2 2.86Å; E434-C491 HydrophobicContact CG-CB 4.47Å
435L92.1Very high89.8Confident123 Ų12365 Ų6564%0.64433%0.328SS*.Hα-helixtrans-67.1-43.5177-72.3169.1000111.1S432 P433 S438 S439S432-L435 PolarHBondContact O-N 3.43Å; P433-L435 PolarHBondContact O-N 2.94Å; L435-S438 PolarHBondContact O-N 3.39Å; L435-S438 PolarHBondContact O-OG 3.46Å; L435-S439 PolarHBondContact O-N 3.45Å
436A90Very high89.7Confident22 Ų2262.2 Ų62.218%0.18232%0.318CS..Hα-helixtrans-65-48.1-178.800000112V429 S432 P433 S438 S439 F442V429-A436 HydrophobicContact CB-CB 4.18Å; V429-A436 HydrophobicContact CG1-CB 4Å; V429-A436 HydrophobicContact CG2-CB 4.19Å; S432-A436 WeakPolarHBondContact O-CB 2.91Å; S432-A436 PolarHBondContact O-N 3.22Å; P433-A436 PolarHBondContact O-N 3.38Å; A436-S438 VanDerWaalsContact C-N 3.29Å; A436-S438 PolarHBondContact O-N 3.48Å; A436-S439 WeakPolarHBondContact O-CB 3.28Å; A436-S439 PolarHBondContact O-N 3.42Å; A436-S439 VanDerWaalsContact O-N 3.07Å; A436-F442 WeakPolarHBondContact O-CB 3.31Å
437T86.8Confident89.5Confident20 Ų2064 Ų6412%0.12333%0.331CS..Hα-helixtrans-67.3-27.9-179.452.70000112.9P433 E434 S439 F442 C491 E494P433-T437 WeakPolarHBondContact O-CB 3.48Å; P433-T437 VanDerWaalsContact O-CG2 3.27Å; P433-T437 WeakPolarHBondContact O-CG2 3.46Å; P433-T437 PolarHBondContact O-N 3.37Å; P433-T437 PolarHBondContact O-OG1 3.05Å; E434-T437 PolarHBondContact O-OG1 3.47Å; T437-S439 VanDerWaalsContact C-N 3.27Å; T437-S439 PolarHBondContact O-N 2.85Å; T437-F442 HydrophobicContact CG2-CD1 4.46Å; T437-F442 HydrophobicContact CG2-CE1 4.08Å; T437-F442 HydrophobicContact CG2-CE2 4.14Å; T437-F442 HydrophobicContact CG2-CZ 3.9Å; T437-C491 PolarHBondContact OG1-SG 3.41Å; T437-E494 HydrophobicContact CG2-CB 3.52Å; T437-E494 HydrophobicContact CG2-CG 4.29Å
438S86.4Confident89.4Confident95 Ų9560.3 Ų60.366%0.66432%0.32SS*.THydrogen-bonded Turntrans-76.7-8.6172.5720000114.6E434 L435 A436E434-S438 WeakPolarHBondContact O-CB 3.44Å; E434-S438 PolarHBondContact O-N 2.97Å; E434-S438 VanDerWaalsContact O-N 3.16Å; E434-S438 PolarHBondContact O-OG 3.17Å; L435-S438 PolarHBondContact O-N 3.39Å; L435-S438 PolarHBondContact O-OG 3.46Å; A436-S438 VanDerWaalsContact C-N 3.29Å; A436-S438 PolarHBondContact O-N 3.48Å
439S87.3Confident89.5Confident40 Ų4056.7 Ų56.728%0.2830%0.3SS..SBendtrans-78.7137.1-179-178.10000111.7L435 A436 T437 L441 F442L435-S439 PolarHBondContact O-N 3.45Å; A436-S439 WeakPolarHBondContact O-CB 3.28Å; A436-S439 PolarHBondContact O-N 3.42Å; A436-S439 VanDerWaalsContact O-N 3.07Å; T437-S439 VanDerWaalsContact C-N 3.27Å; T437-S439 PolarHBondContact O-N 2.85Å; S439-L441 PolarHBondContact O-N 2.96Å; S439-L441 VanDerWaalsContact O-N 3.07Å; S439-L441 PolarHBondContact OG-N 3.16Å; S439-F442 VanDerWaalsContact O-CB 3.25Å; S439-F442 WeakPolarHBondContact O-CB 3.3Å; S439-F442 PolarHBondContact O-N 3.32Å
440F80.4Confident89.4Confident170 Ų17057.8 Ų57.875%0.74631%0.309SS*.THydrogen-bonded Turntrans-58.6-22.5173.671.9-88.3000113.3F442F440-F442 VanDerWaalsContact C-N 3.29Å; F440-F442 PolarHBondContact O-N 3.22Å
441L83.8Confident89.4Confident84 Ų8457 Ų5744%0.4431%0.305SS..THydrogen-bonded Turntrans-75.3-15.9176.9-67.2175.8000113.3S439 H443 S444 Y445S439-L441 PolarHBondContact O-N 2.96Å; S439-L441 VanDerWaalsContact O-N 3.07Å; S439-L441 PolarHBondContact OG-N 3.16Å; L441-H443 PolarHBondContact O-N 2.94Å; L441-S444 WeakPolarHBondContact O-CB 3.39Å; L441-S444 PolarHBondContact O-N 2.69Å; L441-Y445 PolarHBondContact O-N 2.83Å
442F88.1Confident89.4Confident6 Ų648.3 Ų48.33%0.02627%0.272CS..Hα-helixtrans-65.2-41.2-172.1-169.8-103.1000112.8V429 A436 T437 S439 F440 S444 Y445 L446 E494V429-F442 HydrophobicContact CG1-CE2 3.71Å; V429-F442 HydrophobicContact CG2-CD2 4.36Å; V429-F442 HydrophobicContact CG2-CE2 4.04Å; A436-F442 WeakPolarHBondContact O-CB 3.31Å; T437-F442 HydrophobicContact CG2-CD1 4.46Å; T437-F442 HydrophobicContact CG2-CE1 4.08Å; T437-F442 HydrophobicContact CG2-CE2 4.14Å; T437-F442 HydrophobicContact CG2-CZ 3.9Å; S439-F442 VanDerWaalsContact O-CB 3.25Å; S439-F442 WeakPolarHBondContact O-CB 3.3Å; S439-F442 PolarHBondContact O-N 3.32Å; F440-F442 VanDerWaalsContact C-N 3.29Å; F440-F442 PolarHBondContact O-N 3.22Å; F442-S444 VanDerWaalsContact C-N 3.31Å; F442-S444 PolarHBondContact O-N 3.29Å; F442-Y445 HydrophobicContact CD2-CD1 4.09Å; F442-Y445 AromaticContact CE2-CD1 3.85Å; F442-Y445 HydrophobicContact CE2-CD1 3.85Å; F442-Y445 HydrophobicContact CE2-CE1 4.22Å; F442-Y445 HydrophobicContact CZ-CD1 4.5Å; F442-Y445 CarbonylContact O-C 3.47Å; F442-Y445 WeakPolarHBondContact O-CA 3.28Å; F442-Y445 VanDerWaalsContact O-CB 3.32Å; F442-Y445 WeakPolarHBondContact O-CB 3.5Å; F442-Y445 PolarHBondContact O-N 3.29Å; F442-Y445 VanDerWaalsContact O-N 3.14Å; F442-L446 HydrophobicContact CD1-CD1 3.89Å; F442-L446 HydrophobicContact CD1-CG 4.04Å; F442-L446 HydrophobicContact CE1-CD1 3.46Å; F442-L446 VanDerWaalsContact CE1-CD1 3.46Å; F442-L446 HydrophobicContact CE1-CD2 3.98Å; F442-L446 HydrophobicContact CE1-CG 3.59Å; F442-L446 HydrophobicContact CZ-CD1 4.29Å; F442-L446 HydrophobicContact CZ-CD2 3.98Å; F442-L446 HydrophobicContact CZ-CG 4.01Å; F442-L446 PolarHBondContact O-N 3.32Å; F442-E494 HydrophobicContact CD1-CB 4.3Å; F442-E494 HydrophobicContact CD1-CG 4.41Å; F442-E494 HydrophobicContact CE1-CB 3.63Å; F442-E494 HydrophobicContact CE1-CG 4.19Å; F442-E494 WeakPolarHBondContact CE1-OE2 3.31Å; F442-E494 HydrophobicContact CZ-CB 4.31Å
443H84.9Confident89.2Confident111 Ų11145.7 Ų45.751%0.51425%0.254SS..Hα-helixtrans-64.6-36.1176.2-66.3-52.9000112.6L441 L446 S447 E494L441-H443 PolarHBondContact O-N 2.94Å; H443-L446 PolarHBondContact O-N 3.09Å; H443-S447 PolarHBondContact O-N 2.93Å; H443-S447 PolarHBondContact O-OG 3.23Å; H443-E494 IonicContact CE1-OE1 2.96Å; H443-E494 IonicContact CE1-OE2 2.77Å; H443-E494 IonicContact ND1-OE2 3.29Å
444S85.7Confident89.1Confident53 Ų5348.8 Ų48.837%0.37127%0.268SS..Hα-helixtrans-65-41.5172.7-630000111.2L441 F442 S447 V448L441-S444 WeakPolarHBondContact O-CB 3.39Å; L441-S444 PolarHBondContact O-N 2.69Å; F442-S444 VanDerWaalsContact C-N 3.31Å; F442-S444 PolarHBondContact O-N 3.29Å; S444-S447 PolarHBondContact O-N 3.38Å; S444-V448 WeakPolarHBondContact O-CG2 3.47Å; S444-V448 PolarHBondContact O-N 3.41Å; S444-V448 VanDerWaalsContact O-N 3.09Å
445Y91.3Very high89.1Confident0 Ų044.1 Ų44.10%025%0.246CC..Hα-helixtrans-59-50.8172.3166.3-110.2000111.7V422 W425 L426 V429 L441 F442 S447 V448 Y449 L498V422-Y445 HydrophobicContact CG1-CE2 4.39Å; W425-Y445 HydrophobicContact CB-CD2 4.09Å; W425-Y445 HydrophobicContact CB-CE2 3.75Å; W425-Y445 AromaticContact CD2-CD2 3.28Å; W425-Y445 HydrophobicContact CD2-CD2 3.28Å; W425-Y445 AromaticContact CD2-CE2 3.91Å; W425-Y445 HydrophobicContact CD2-CE2 3.91Å; W425-Y445 HydrophobicContact CD2-CG 4.02Å; W425-Y445 AromaticContact CE2-CD2 3.71Å; W425-Y445 AromaticContact CE2-CG 3.96Å; W425-Y445 AromaticContact CE3-CD2 3.47Å; W425-Y445 HydrophobicContact CE3-CD2 3.47Å; W425-Y445 VanDerWaalsContact CE3-CD2 3.47Å; W425-Y445 HydrophobicContact CE3-CE2 4.19Å; W425-Y445 HydrophobicContact CE3-CG 4.38Å; W425-Y445 AromaticContact CG-CD2 3.56Å; W425-Y445 HydrophobicContact CG-CD2 3.56Å; W425-Y445 AromaticContact CG-CE2 3.71Å; W425-Y445 HydrophobicContact CG-CE2 3.71Å; W425-Y445 HydrophobicContact CG-CG 4.36Å; W425-Y445 HydrophobicContact CH2-CD2 4.4Å; W425-Y445 HydrophobicContact CZ2-CD2 4.28Å; W425-Y445 HydrophobicContact CZ2-CG 4.3Å; W425-Y445 HydrophobicContact CZ3-CD2 4.02Å; L426-Y445 WeakPolarHBondContact CA-OH 3.3Å; L426-Y445 VanDerWaalsContact CB-OH 3.27Å; L426-Y445 WeakPolarHBondContact CB-OH 3.5Å; L426-Y445 WeakPolarHBondContact CD1-OH 3.35Å; V429-Y445 HydrophobicContact CG2-CD1 4.18Å; V429-Y445 HydrophobicContact CG2-CE1 3.98Å; L441-Y445 PolarHBondContact O-N 2.83Å; F442-Y445 HydrophobicContact CD2-CD1 4.09Å; F442-Y445 AromaticContact CE2-CD1 3.85Å; F442-Y445 HydrophobicContact CE2-CD1 3.85Å; F442-Y445 HydrophobicContact CE2-CE1 4.22Å; F442-Y445 HydrophobicContact CZ-CD1 4.5Å; F442-Y445 CarbonylContact O-C 3.47Å; F442-Y445 WeakPolarHBondContact O-CA 3.28Å; F442-Y445 VanDerWaalsContact O-CB 3.32Å; F442-Y445 WeakPolarHBondContact O-CB 3.5Å; F442-Y445 PolarHBondContact O-N 3.29Å; F442-Y445 VanDerWaalsContact O-N 3.14Å; Y445-S447 VanDerWaalsContact C-N 3.26Å; Y445-S447 PolarHBondContact O-N 2.93Å; Y445-V448 PolarHBondContact O-N 3Å; Y445-V448 VanDerWaalsContact O-N 3.16Å; Y445-Y449 HydrophobicContact CE2-CD2 4.43Å; Y445-Y449 AromaticContact CZ-CD2 3.97Å; Y445-Y449 WeakPolarHBondContact O-CB 3.47Å; Y445-Y449 PolarHBondContact O-N 3.46Å; Y445-Y449 WeakPolarHBondContact OH-CD2 3.47Å; Y445-L498 HydrophobicContact CE1-CD2 3.8Å
446L90.5Very high89Confident17 Ų1738.3 Ų38.39%0.08922%0.215CC..Hα-helixtrans-57.1-39.5178.7-77.6-178.8000112.4F442 H443 S450 E494 L498F442-L446 HydrophobicContact CD1-CD1 3.89Å; F442-L446 HydrophobicContact CD1-CG 4.04Å; F442-L446 HydrophobicContact CE1-CD1 3.46Å; F442-L446 VanDerWaalsContact CE1-CD1 3.46Å; F442-L446 HydrophobicContact CE1-CD2 3.98Å; F442-L446 HydrophobicContact CE1-CG 3.59Å; F442-L446 HydrophobicContact CZ-CD1 4.29Å; F442-L446 HydrophobicContact CZ-CD2 3.98Å; F442-L446 HydrophobicContact CZ-CG 4.01Å; F442-L446 PolarHBondContact O-N 3.32Å; H443-L446 PolarHBondContact O-N 3.09Å; L446-S450 VanDerWaalsContact O-CB 3.29Å; L446-S450 WeakPolarHBondContact O-CB 3.36Å; L446-S450 PolarHBondContact O-N 3.38Å; L446-S450 PolarHBondContact O-OG 3.28Å; L446-E494 WeakPolarHBondContact CD1-OE2 3.33Å; L446-L498 HydrophobicContact CD2-CD2 3.51Å; L446-L498 HydrophobicContact CD2-CG 4.3Å
447S90Very high88.8Confident37 Ų3740.4 Ų40.426%0.25922%0.223SC..Hα-helixtrans-64.9-45.1178-55.80000111.6H443 S444 Y445 T451H443-S447 PolarHBondContact O-N 2.93Å; H443-S447 PolarHBondContact O-OG 3.23Å; S444-S447 PolarHBondContact O-N 3.38Å; Y445-S447 VanDerWaalsContact C-N 3.26Å; Y445-S447 PolarHBondContact O-N 2.93Å; S447-T451 VanDerWaalsContact O-CB 3.3Å; S447-T451 WeakPolarHBondContact O-CB 3.36Å; S447-T451 PolarHBondContact O-N 2.95Å; S447-T451 PolarHBondContact O-OG1 3.27Å
448V92.8Very high88.8Confident27 Ų2746.7 Ų46.716%0.16425%0.249CC..Hα-helixtrans-67.1-45.7176.7171.70000111L404 V422 S444 Y445 T451 I452L404-V448 HydrophobicContact CD2-CG2 3.99Å; V422-V448 HydrophobicContact CG2-CG1 4.35Å; S444-V448 WeakPolarHBondContact O-CG2 3.47Å; S444-V448 PolarHBondContact O-N 3.41Å; S444-V448 VanDerWaalsContact O-N 3.09Å; Y445-V448 PolarHBondContact O-N 3Å; Y445-V448 VanDerWaalsContact O-N 3.16Å; V448-T451 PolarHBondContact O-N 3.01Å; V448-I452 HydrophobicContact CG1-CD1 3.69Å; V448-I452 HydrophobicContact CG1-CG1 4.47Å; V448-I452 WeakPolarHBondContact O-CB 3.47Å; V448-I452 WeakPolarHBondContact O-CG1 3.4Å; V448-I452 PolarHBondContact O-N 2.93Å
449Y93.7Very high88.8Confident1 Ų144 Ų440%0.00423%0.226CC..Hα-helixtrans-55.5-54.2176.5171-93000111.1V422 Y445 T451 I452 C453 L498 L502V422-Y449 HydrophobicContact CG1-CD2 3.38Å; V422-Y449 HydrophobicContact CG1-CE2 4.17Å; V422-Y449 HydrophobicContact CG1-CG 4.23Å; Y445-Y449 HydrophobicContact CE2-CD2 4.43Å; Y445-Y449 AromaticContact CZ-CD2 3.97Å; Y445-Y449 WeakPolarHBondContact O-CB 3.47Å; Y445-Y449 PolarHBondContact O-N 3.46Å; Y445-Y449 WeakPolarHBondContact OH-CD2 3.47Å; Y449-T451 PolarHBondContact O-N 3.25Å; Y449-I452 PolarHBondContact O-N 3.42Å; Y449-C453 WeakPolarHBondContact O-CB 3.49Å; Y449-C453 PolarHBondContact O-N 3.2Å; Y449-C453 PolarHBondContact O-SG 3.25Å; Y449-C453 VanDerWaalsContact O-SG 3.36Å; Y449-L498 HydrophobicContact CD1-CD2 4.3Å; Y449-L498 HydrophobicContact CE1-CD2 4.14Å; Y449-L498 PolarHBondContact OH-O 2.92Å; Y449-L502 WeakPolarHBondContact OH-CD1 3.27Å; Y449-L502 WeakPolarHBondContact OH-CG 3.43Å
450S90.7Very high88.6Confident29 Ų2948.2 Ų48.220%0.20325%0.246CC..Hα-helixtrans-61.8-44.4-179.3-56.20000111.1L446 I452 C453 E454L446-S450 VanDerWaalsContact O-CB 3.29Å; L446-S450 WeakPolarHBondContact O-CB 3.36Å; L446-S450 PolarHBondContact O-N 3.38Å; L446-S450 PolarHBondContact O-OG 3.28Å; S450-I452 PolarHBondContact O-N 3.09Å; S450-C453 PolarHBondContact O-N 3.18Å; S450-E454 WeakPolarHBondContact O-CB 3.49Å; S450-E454 VanDerWaalsContact O-CG 3.27Å; S450-E454 WeakPolarHBondContact O-CG 3.48Å; S450-E454 PolarHBondContact O-N 3.02Å
451T92.2Very high88.5Confident9 Ų948.4 Ų48.46%0.05525%0.249CC..Hα-helixtrans-61.1-43178.4-62.20000112.3L404 R408 S447 V448 Y449 A455L404-T451 HydrophobicContact CB-CG2 4.35Å; L404-T451 WeakPolarHBondContact O-CG2 3.03Å; R408-T451 HydrophobicContact CB-CG2 3.88Å; R408-T451 HydrophobicContact CG-CG2 4.49Å; S447-T451 VanDerWaalsContact O-CB 3.3Å; S447-T451 WeakPolarHBondContact O-CB 3.36Å; S447-T451 PolarHBondContact O-N 2.95Å; S447-T451 PolarHBondContact O-OG1 3.27Å; V448-T451 PolarHBondContact O-N 3.01Å; Y449-T451 PolarHBondContact O-N 3.25Å; T451-A455 VanDerWaalsContact O-CB 3.32Å; T451-A455 WeakPolarHBondContact O-CB 3.4Å; T451-A455 PolarHBondContact O-N 2.88Å
452I93.4Very high88.4Confident4 Ų450.3 Ų50.32%0.02126%0.26CS..Hα-helixtrans-69-47.5179.3-71.7173.3000110.1I407 V411 V422 V448 Y449 S450 E454 A455 L456I407-I452 HydrophobicContact CG2-CD1 3.9Å; I407-I452 HydrophobicContact CG2-CG1 3.65Å; V411-I452 HydrophobicContact CG2-CG1 3.93Å; V411-I452 HydrophobicContact CG2-CG2 4.31Å; V422-I452 HydrophobicContact CG2-CB 4.18Å; V422-I452 HydrophobicContact CG2-CD1 3.25Å; V422-I452 HydrophobicContact CG2-CG1 4.24Å; V422-I452 HydrophobicContact CG2-CG2 4.2Å; V448-I452 HydrophobicContact CG1-CD1 3.69Å; V448-I452 HydrophobicContact CG1-CG1 4.47Å; V448-I452 WeakPolarHBondContact O-CB 3.47Å; V448-I452 WeakPolarHBondContact O-CG1 3.4Å; V448-I452 PolarHBondContact O-N 2.93Å; Y449-I452 PolarHBondContact O-N 3.42Å; S450-I452 PolarHBondContact O-N 3.09Å; I452-E454 PolarHBondContact O-N 3.41Å; I452-A455 PolarHBondContact O-N 3.25Å; I452-L456 HydrophobicContact CG2-CD1 3.96Å; I452-L456 HydrophobicContact CG2-CG 4.34Å; I452-L456 VanDerWaalsContact O-CG 3.23Å; I452-L456 WeakPolarHBondContact O-CG 3.43Å; I452-L456 PolarHBondContact O-N 3.01Å
453C90.4Very high88Confident4 Ų451.4 Ų51.43%0.02727%0.267CS..Hα-helixtrans-57.9-46.4176.5-71.10000112.1Y449 S450 A455 L456 L457 F505Y449-C453 WeakPolarHBondContact O-CB 3.49Å; Y449-C453 PolarHBondContact O-N 3.2Å; Y449-C453 PolarHBondContact O-SG 3.25Å; Y449-C453 VanDerWaalsContact O-SG 3.36Å; S450-C453 PolarHBondContact O-N 3.18Å; C453-A455 VanDerWaalsContact C-N 3.31Å; C453-A455 PolarHBondContact O-N 3.02Å; C453-L456 WeakPolarHBondContact O-CB 3.45Å; C453-L456 PolarHBondContact O-N 3.03Å; C453-L457 WeakPolarHBondContact O-CG 3.33Å; C453-L457 PolarHBondContact O-N 2.89Å; C453-F505 HydrophobicContact CB-CE2 4.29Å
454E89.3Confident87.7Confident75 Ų7547.7 Ų47.735%0.3526%0.255SS..Hα-helixtrans-64.5-34.2177.4-73.3172.4-172.100112.7S450 I452 K545S450-E454 WeakPolarHBondContact O-CB 3.49Å; S450-E454 VanDerWaalsContact O-CG 3.27Å; S450-E454 WeakPolarHBondContact O-CG 3.48Å; S450-E454 PolarHBondContact O-N 3.02Å; I452-E454 PolarHBondContact O-N 3.41Å; E454-K545 IonicContact OE1-NZ 3.58Å; E454-K545 PolarHBondContact OE1-NZ 3.17Å
455A90.8Very high87.4Confident0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-68.6-41.3175.100000112R408 V411 T451 I452 C453 L457 K458R408-A455 HydrophobicContact CG-CB 3.95Å; V411-A455 HydrophobicContact CB-CB 3.88Å; V411-A455 HydrophobicContact CG1-CB 3.68Å; T451-A455 VanDerWaalsContact O-CB 3.32Å; T451-A455 WeakPolarHBondContact O-CB 3.4Å; T451-A455 PolarHBondContact O-N 2.88Å; I452-A455 PolarHBondContact O-N 3.25Å; C453-A455 VanDerWaalsContact C-N 3.31Å; C453-A455 PolarHBondContact O-N 3.02Å; A455-L457 VanDerWaalsContact C-N 3.28Å; A455-L457 PolarHBondContact O-N 2.82Å; A455-K458 PolarHBondContact O-N 3.04Å; A455-K458 VanDerWaalsContact O-N 3.13Å
456L90.5Very high87Confident1 Ų154.9 Ų54.91%0.00529%0.286CS..Hα-helixtrans-61.6-34.7178.1-71.9171.1000112.2V411 Y415 Y419 I452 C453 K458 L459 I467 F505V411-L456 HydrophobicContact CG1-CD2 3.77Å; V411-L456 HydrophobicContact CG1-CG 3.98Å; Y415-L456 HydrophobicContact CD2-CD2 3.73Å; Y415-L456 HydrophobicContact CG-CD2 3.9Å; Y419-L456 HydrophobicContact CD2-CD1 3.38Å; Y419-L456 HydrophobicContact CE2-CD1 3.87Å; Y419-L456 HydrophobicContact CG-CD1 4.13Å; I452-L456 HydrophobicContact CG2-CD1 3.96Å; I452-L456 HydrophobicContact CG2-CG 4.34Å; I452-L456 VanDerWaalsContact O-CG 3.23Å; I452-L456 WeakPolarHBondContact O-CG 3.43Å; I452-L456 PolarHBondContact O-N 3.01Å; C453-L456 WeakPolarHBondContact O-CB 3.45Å; C453-L456 PolarHBondContact O-N 3.03Å; L456-K458 PolarHBondContact O-N 2.68Å; L456-L459 HydrophobicContact CD2-CD1 3.7Å; L456-L459 WeakPolarHBondContact O-CB 3.35Å; L456-L459 PolarHBondContact O-N 3.24Å; L456-L459 VanDerWaalsContact O-N 3.13Å; L456-I467 HydrophobicContact CB-CD1 4.39Å; L456-I467 HydrophobicContact CD1-CD1 4.33Å; L456-I467 HydrophobicContact CD2-CD1 3.82Å; L456-I467 HydrophobicContact CG-CD1 4.41Å; L456-F505 HydrophobicContact CB-CE1 3.96Å; L456-F505 HydrophobicContact CB-CZ 3.71Å; L456-F505 HydrophobicContact CD1-CZ 4.26Å
457L85.1Confident86.8Confident66 Ų6654.2 Ų54.235%0.34628%0.283SS..THydrogen-bonded Turntrans-66.4-13.4177.1-68.6170.1000114.2C453 A455 P504 F505 T549C453-L457 WeakPolarHBondContact O-CG 3.33Å; C453-L457 PolarHBondContact O-N 2.89Å; A455-L457 VanDerWaalsContact C-N 3.28Å; A455-L457 PolarHBondContact O-N 2.82Å; L457-P504 HydrophobicContact CD1-CB 3.56Å; L457-P504 HydrophobicContact CD1-CG 3.88Å; L457-P504 HydrophobicContact CD2-CB 3.51Å; L457-P504 HydrophobicContact CG-CB 4.14Å; L457-F505 HydrophobicContact CD2-CD1 3.88Å; L457-F505 HydrophobicContact CD2-CE1 3.48Å; L457-F505 VanDerWaalsContact CD2-CE1 3.48Å; L457-F505 HydrophobicContact CD2-CZ 3.88Å; L457-F505 HydrophobicContact CG-CE1 3.97Å; L457-F505 HydrophobicContact CG-CZ 3.95Å; L457-T549 HydrophobicContact CD1-CG2 4.12Å
458K86.9Confident86.6Confident151 Ų15152.8 Ų52.866%0.65727%0.273SS*.THydrogen-bonded Turntrans-95.92.1177-59.1-175.6-177.7-1760112.9A455 L456A455-K458 PolarHBondContact O-N 3.04Å; A455-K458 VanDerWaalsContact O-N 3.13Å; L456-K458 PolarHBondContact O-N 2.68Å
459L86.5Confident86Confident38 Ų3858.5 Ų58.520%0.19930%0.298CS..SBendtrans-82.1169.5175.6-62.8178.8000111.4Y415 L456 V463Y415-L459 HydrophobicContact CD1-CD1 3.89Å; Y415-L459 HydrophobicContact CG-CD1 3.86Å; L456-L459 HydrophobicContact CD2-CD1 3.7Å; L456-L459 WeakPolarHBondContact O-CB 3.35Å; L456-L459 PolarHBondContact O-N 3.24Å; L456-L459 VanDerWaalsContact O-N 3.13Å; L459-V463 HydrophobicContact CB-CB 4.28Å; L459-V463 HydrophobicContact CB-CG1 4.27Å; L459-V463 HydrophobicContact CD1-CG1 3.82Å
460D84Confident85.5Confident130 Ų13061.3 Ų61.370%0.69532%0.315SS*.  trans-60.1150.4178.5-65.4-37.1000112.6D462 V463 A464D460-D462 VanDerWaalsContact C-N 3.28Å; D460-D462 PolarHBondContact O-N 3.13Å; D460-V463 WeakPolarHBondContact O-CB 3.48Å; D460-V463 PolarHBondContact O-N 3.38Å; D460-A464 PolarHBondContact O-N 3.21Å
461E78.3Confident85.4Confident174 Ų17459.9 Ų59.981%0.81331%0.305SS*.Hα-helixtrans-56.2-37.6-176.2-70-175.4167.700113.3V463 A464 E465E461-V463 VanDerWaalsContact C-N 3.26Å; E461-V463 PolarHBondContact O-N 2.9Å; E461-A464 WeakPolarHBondContact O-CB 3.43Å; E461-A464 PolarHBondContact O-N 2.82Å; E461-A464 VanDerWaalsContact O-N 3.15Å; E461-E465 PolarHBondContact O-N 3.02Å
462D80.4Confident85.3Confident124 Ų12461.2 Ų61.266%0.66331%0.313SS*.Hα-helixtrans-61-34.7177.7-68.8-22.3000112.2D460 N466D460-D462 VanDerWaalsContact C-N 3.28Å; D460-D462 PolarHBondContact O-N 3.13Å; D462-N466 PolarHBondContact O-N 3.46Å; D462-N466 PolarHBondContact O-ND2 3.09Å
463V80.9Confident85.1Confident28 Ų2864.2 Ų64.217%0.1734%0.335CS..Hα-helixtrans-72.7-41.9177176.30000110.1Y415 L459 D460 E461 E465 N466 I467Y415-V463 HydrophobicContact CD1-CG1 3.97Å; Y415-V463 HydrophobicContact CD2-CG1 4.44Å; Y415-V463 HydrophobicContact CE1-CB 4.49Å; Y415-V463 HydrophobicContact CE1-CG1 3.46Å; Y415-V463 VanDerWaalsContact CE1-CG1 3.46Å; Y415-V463 HydrophobicContact CE1-CG2 4.19Å; Y415-V463 HydrophobicContact CE2-CG1 3.98Å; Y415-V463 HydrophobicContact CG-CG1 4.44Å; Y415-V463 VanDerWaalsContact CZ-CG1 3.47Å; L459-V463 HydrophobicContact CB-CB 4.28Å; L459-V463 HydrophobicContact CB-CG1 4.27Å; L459-V463 HydrophobicContact CD1-CG1 3.82Å; D460-V463 WeakPolarHBondContact O-CB 3.48Å; D460-V463 PolarHBondContact O-N 3.38Å; E461-V463 VanDerWaalsContact C-N 3.26Å; E461-V463 PolarHBondContact O-N 2.9Å; V463-E465 VanDerWaalsContact C-N 3.28Å; V463-E465 PolarHBondContact O-N 3.48Å; V463-N466 PolarHBondContact O-N 2.59Å; V463-I467 HydrophobicContact CG1-CD1 3.82Å; V463-I467 WeakPolarHBondContact O-CG1 3.38Å; V463-I467 PolarHBondContact O-N 3.09Å; V463-I467 VanDerWaalsContact O-N 3.08Å
464A78Confident85.2Confident33 Ų3364.5 Ų64.527%0.27334%0.336SS..Hα-helixtrans-61.3-36.9176.100000111.8D460 E461 I467 S468D460-A464 PolarHBondContact O-N 3.21Å; E461-A464 WeakPolarHBondContact O-CB 3.43Å; E461-A464 PolarHBondContact O-N 2.82Å; E461-A464 VanDerWaalsContact O-N 3.15Å; A464-I467 PolarHBondContact O-N 3.43Å; A464-S468 WeakPolarHBondContact O-CB 3.49Å; A464-S468 PolarHBondContact O-N 3.45Å
465E80.3Confident85.4Confident101 Ų10160.9 Ų60.947%0.47232%0.319SS..Hα-helixtrans-63.7-44.1177.3-167.7171.5-167.700112.2E461 V463 I467 S468 R507E461-E465 PolarHBondContact O-N 3.02Å; V463-E465 VanDerWaalsContact C-N 3.28Å; V463-E465 PolarHBondContact O-N 3.48Å; E465-I467 VanDerWaalsContact C-N 3.33Å; E465-I467 PolarHBondContact O-N 3.39Å; E465-S468 VanDerWaalsContact O-CB 3.25Å; E465-S468 WeakPolarHBondContact O-CB 3.43Å; E465-S468 PolarHBondContact O-N 2.81Å; E465-R507 IonicContact OE1-CZ 2.72Å; E465-R507 IonicContact OE1-NH1 3.19Å; E465-R507 IonicContact OE1-NH2 3.96Å; E465-R507 PolarHBondContact OE1-NH2 3.26Å
466N83.1Confident85.6Confident103 Ų10362.6 Ų62.655%0.55133%0.328SS*.Hα-helixtrans-63-39.3175.9-72.1-47.8000112.3D462 V463 S468D462-N466 PolarHBondContact O-N 3.46Å; D462-N466 PolarHBondContact O-ND2 3.09Å; V463-N466 PolarHBondContact O-N 2.59Å; N466-S468 VanDerWaalsContact C-N 3.32Å
467I86.6Confident85.8Confident4 Ų466.1 Ų66.12%0.02135%0.345CS..Hα-helixtrans-68-34176.6-69.7169.3000111Y415 Y419 L456 V463 A464 E465 E469 T470 A471 F505Y415-I467 HydrophobicContact CD2-CD1 4.3Å; Y415-I467 HydrophobicContact CE2-CD1 4.11Å; Y415-I467 HydrophobicContact CE2-CG1 4.34Å; Y419-I467 HydrophobicContact CE1-CG1 4.29Å; Y419-I467 HydrophobicContact CE1-CG2 4.44Å; Y419-I467 HydrophobicContact CE2-CG2 4.22Å; L456-I467 HydrophobicContact CB-CD1 4.39Å; L456-I467 HydrophobicContact CD1-CD1 4.33Å; L456-I467 HydrophobicContact CD2-CD1 3.82Å; L456-I467 HydrophobicContact CG-CD1 4.41Å; V463-I467 HydrophobicContact CG1-CD1 3.82Å; V463-I467 WeakPolarHBondContact O-CG1 3.38Å; V463-I467 PolarHBondContact O-N 3.09Å; V463-I467 VanDerWaalsContact O-N 3.08Å; A464-I467 PolarHBondContact O-N 3.43Å; E465-I467 VanDerWaalsContact C-N 3.33Å; E465-I467 PolarHBondContact O-N 3.39Å; I467-E469 VanDerWaalsContact C-N 3.3Å; I467-E469 PolarHBondContact O-N 2.97Å; I467-T470 PolarHBondContact O-N 2.91Å; I467-T470 PolarHBondContact O-OG1 2.99Å; I467-A471 HydrophobicContact CG2-CB 4.42Å; I467-A471 WeakPolarHBondContact O-CB 3.45Å; I467-A471 PolarHBondContact O-N 3.25Å; I467-F505 HydrophobicContact CB-CD1 4.43Å; I467-F505 HydrophobicContact CG2-CB 4.3Å; I467-F505 HydrophobicContact CG2-CD1 3.61Å; I467-F505 HydrophobicContact CG2-CD2 4.24Å; I467-F505 HydrophobicContact CG2-CE1 3.95Å; I467-F505 HydrophobicContact CG2-CG 3.78Å; I467-F505 HydrophobicContact CG2-CZ 4.41Å
468S83.8Confident86.3Confident6 Ų663 Ų634%0.04233%0.329CS..Hα-helixtrans-55.7-43.2-178.8-167.40000112.2A464 E465 N466 T470 A471 V472 F505A464-S468 WeakPolarHBondContact O-CB 3.49Å; A464-S468 PolarHBondContact O-N 3.45Å; E465-S468 VanDerWaalsContact O-CB 3.25Å; E465-S468 WeakPolarHBondContact O-CB 3.43Å; E465-S468 PolarHBondContact O-N 2.81Å; N466-S468 VanDerWaalsContact C-N 3.32Å; S468-T470 PolarHBondContact O-N 3.33Å; S468-A471 PolarHBondContact O-N 2.91Å; S468-V472 VanDerWaalsContact O-CG2 3.26Å; S468-V472 WeakPolarHBondContact O-CG2 3.23Å; S468-V472 PolarHBondContact O-N 3.16Å; S468-F505 WeakPolarHBondContact CA-O 3.41Å; S468-F505 VanDerWaalsContact CB-O 3.27Å; S468-F505 WeakPolarHBondContact CB-O 3.38Å; S468-F505 PolarHBondContact OG-O 2.94Å
469E81Confident86.8Confident147 Ų14756 Ų5669%0.68730%0.298SS*.Hα-helixtrans-60.7-44.6-179-67.6-168.6167.600112.7I467I467-E469 VanDerWaalsContact C-N 3.3Å; I467-E469 PolarHBondContact O-N 2.97Å
470T84.2Confident87.2Confident60 Ų6060.4 Ų60.437%0.36832%0.316SS..Hα-helixtrans-76.2-36.6177.956.70000111.2Y419 I467 S468 V472 S473 H474Y419-T470 PolarHBondContact OH-OG1 3.44Å; Y419-T470 VanDerWaalsContact OH-OG1 3.06Å; I467-T470 PolarHBondContact O-N 2.91Å; I467-T470 PolarHBondContact O-OG1 2.99Å; S468-T470 PolarHBondContact O-N 3.33Å; T470-V472 VanDerWaalsContact C-N 3.34Å; T470-V472 PolarHBondContact O-N 2.94Å; T470-S473 PolarHBondContact O-N 3.34Å; T470-H474 PolarHBondContact O-N 2.81Å; T470-H474 PolarHBondContact O-ND1 3.31Å
471A87.6Confident87.7Confident0 Ų054.7 Ų54.70%029%0.287CS..Hα-helixtrans-63.1-36.9-179.100000112.8I467 S468 S473 H474 L475 L502 F505I467-A471 HydrophobicContact CG2-CB 4.42Å; I467-A471 WeakPolarHBondContact O-CB 3.45Å; I467-A471 PolarHBondContact O-N 3.25Å; S468-A471 PolarHBondContact O-N 2.91Å; A471-S473 PolarHBondContact O-N 3.44Å; A471-H474 PolarHBondContact O-N 3.4Å; A471-L475 WeakPolarHBondContact O-CB 3.5Å; A471-L475 PolarHBondContact O-N 2.96Å; A471-L502 HydrophobicContact CB-CD2 4.01Å; A471-F505 HydrophobicContact CB-CB 3.66Å; A471-F505 HydrophobicContact CB-CD2 4.35Å; A471-F505 HydrophobicContact CB-CG 4.3Å
472V89.8Confident88.6Confident36 Ų3646.4 Ų46.422%0.21825%0.248CC..Hα-helixtrans-53-53.5174.3170.30000110.6S468 T470 H474 L475 D476 Y510S468-V472 VanDerWaalsContact O-CG2 3.26Å; S468-V472 WeakPolarHBondContact O-CG2 3.23Å; S468-V472 PolarHBondContact O-N 3.16Å; T470-V472 VanDerWaalsContact C-N 3.34Å; T470-V472 PolarHBondContact O-N 2.94Å; V472-H474 VanDerWaalsContact C-N 3.29Å; V472-H474 PolarHBondContact O-N 3.46Å; V472-L475 PolarHBondContact O-N 2.93Å; V472-D476 PolarHBondContact O-N 3.04Å; V472-Y510 HydrophobicContact CG1-CD2 4.45Å; V472-Y510 HydrophobicContact CG1-CE1 4.5Å; V472-Y510 HydrophobicContact CG1-CE2 3.72Å
473S90.6Very high89.2Confident68 Ų6843.5 Ų43.548%0.47623%0.233SC..Hα-helixtrans-61.9-36.7-178.1-177.40000112.5T470 A471 M477T470-S473 PolarHBondContact O-N 3.34Å; A471-S473 PolarHBondContact O-N 3.44Å; S473-M477 VanDerWaalsContact O-CG 3.25Å; S473-M477 WeakPolarHBondContact O-CG 3.28Å; S473-M477 PolarHBondContact O-N 3.43Å
474H92.5Very high89.9Confident9 Ų947.2 Ų47.24%0.04225%0.251CS..Hα-helixtrans-75.5-36.9179.7-63.894.5000111.6L426 R427 T470 A471 V472 D476 M477 V478 L502L426-H474 HydrophobicContact CD2-CB 3.94Å; R427-H474 PolarHBondContact NE-NE2 3.42Å; R427-H474 PolarHBondContact NH2-NE2 3.43Å; T470-H474 PolarHBondContact O-N 2.81Å; T470-H474 PolarHBondContact O-ND1 3.31Å; A471-H474 PolarHBondContact O-N 3.4Å; V472-H474 VanDerWaalsContact C-N 3.29Å; V472-H474 PolarHBondContact O-N 3.46Å; H474-D476 VanDerWaalsContact C-N 3.34Å; H474-M477 WeakPolarHBondContact O-CB 3.35Å; H474-M477 PolarHBondContact O-N 3.23Å; H474-V478 WeakPolarHBondContact O-CG2 3.49Å; H474-V478 PolarHBondContact O-N 3.08Å; H474-L502 HydrophobicContact CB-CD1 3.77Å; H474-L502 HydrophobicContact CB-CD2 4.29Å
475L93.5Very high90.6Very high0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-62.8-42.9174.5-178.462.2000110.9A471 V472 M477 V478 M479 V499 L502 F503 Q506 Y516A471-L475 WeakPolarHBondContact O-CB 3.5Å; A471-L475 PolarHBondContact O-N 2.96Å; V472-L475 PolarHBondContact O-N 2.93Å; L475-M477 VanDerWaalsContact C-N 3.27Å; L475-M477 PolarHBondContact O-N 3.34Å; L475-V478 PolarHBondContact O-N 3.07Å; L475-V478 VanDerWaalsContact O-N 3.16Å; L475-M479 HydrophobicContact CD1-CG 4.22Å; L475-M479 HydrophobicContact CG-CG 4.35Å; L475-M479 WeakPolarHBondContact O-CG 3.37Å; L475-M479 PolarHBondContact O-N 3.22Å; L475-V499 HydrophobicContact CD1-CG1 4.41Å; L475-L502 HydrophobicContact CB-CB 4.23Å; L475-L502 HydrophobicContact CD1-CB 4.24Å; L475-F503 HydrophobicContact CD2-CD2 4.38Å; L475-Q506 HydrophobicContact CD2-CG 3.47Å; L475-Q506 VanDerWaalsContact CD2-CG 3.47Å; L475-Y516 HydrophobicContact CD2-CD2 4.29Å; L475-Y516 HydrophobicContact CD2-CE2 4.21Å; L475-Y516 HydrophobicContact CG-CE2 4.22Å
476D94.2Very high91.2Very high36 Ų3644.3 Ų44.319%0.19323%0.233CC..Hα-helixtrans-57.7-41174.3-83.939.3000112.2V472 H474 K480 Y510 R512 Y516V472-D476 PolarHBondContact O-N 3.04Å; H474-D476 VanDerWaalsContact C-N 3.34Å; D476-K480 VanDerWaalsContact O-CB 3.31Å; D476-K480 WeakPolarHBondContact O-CB 3.32Å; D476-K480 PolarHBondContact O-N 3.06Å; D476-Y510 PolarHBondContact OD1-OH 3.42Å; D476-Y510 PolarHBondContact OD2-OH 3.28Å; D476-Y510 VanDerWaalsContact OD2-OH 3.11Å; D476-R512 IonicContact OD2-CZ 3.91Å; D476-R512 IonicContact OD2-NH1 3.17Å; D476-R512 PolarHBondContact OD2-NH1 2.88Å; D476-Y516 PolarHBondContact OD1-OH 3.01Å; D476-Y516 PolarHBondContact OD2-OH 3.38Å
477M95.1Very high91.6Very high75 Ų7543.5 Ų43.537%0.36924%0.236SC..Hα-helixtrans-66.6-41.5176-68.517164.100112L430 S473 H474 L475 K480 A481L430-M477 HydrophobicContact CD1-CB 3.81Å; L430-M477 HydrophobicContact CD1-CE 4.1Å; S473-M477 VanDerWaalsContact O-CG 3.25Å; S473-M477 WeakPolarHBondContact O-CG 3.28Å; S473-M477 PolarHBondContact O-N 3.43Å; H474-M477 WeakPolarHBondContact O-CB 3.35Å; H474-M477 PolarHBondContact O-N 3.23Å; L475-M477 VanDerWaalsContact C-N 3.27Å; L475-M477 PolarHBondContact O-N 3.34Å; M477-K480 PolarHBondContact O-N 3.49Å; M477-A481 WeakPolarHBondContact O-CB 3.4Å; M477-A481 PolarHBondContact O-N 3.14Å
478V95.7Very high91.9Very high0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-64.1-48.4176.5171.30000110.7L426 L430 H474 L475 K480 A481 I482 L498 V499 L502L426-V478 HydrophobicContact CD1-CG2 4.21Å; L430-V478 HydrophobicContact CD1-CG2 4.01Å; L430-V478 HydrophobicContact CD2-CG2 4.31Å; H474-V478 WeakPolarHBondContact O-CG2 3.49Å; H474-V478 PolarHBondContact O-N 3.08Å; L475-V478 PolarHBondContact O-N 3.07Å; L475-V478 VanDerWaalsContact O-N 3.16Å; V478-K480 VanDerWaalsContact C-N 3.3Å; V478-K480 PolarHBondContact O-N 3.41Å; V478-A481 WeakPolarHBondContact O-CB 3.5Å; V478-A481 PolarHBondContact O-N 3.43Å; V478-A481 VanDerWaalsContact O-N 3.09Å; V478-I482 HydrophobicContact CG1-CD1 4.06Å; V478-I482 WeakPolarHBondContact O-CG1 3.35Å; V478-I482 PolarHBondContact O-N 3.29Å; V478-L498 HydrophobicContact CG1-CB 3.97Å; V478-L498 HydrophobicContact CG2-CB 4.24Å; V478-L498 HydrophobicContact CG2-CD1 4.41Å; V478-V499 HydrophobicContact CG1-CG2 4.05Å; V478-L502 HydrophobicContact CG2-CD1 4.19Å
479M96.1Very high92.2Very high3 Ų344.9 Ų44.92%0.01524%0.243CC..Hα-helixtrans-62-38.6178.9-70.2-57.3-59.500111.8L475 I482 D483 V499 Y516 K519L475-M479 HydrophobicContact CD1-CG 4.22Å; L475-M479 HydrophobicContact CG-CG 4.35Å; L475-M479 WeakPolarHBondContact O-CG 3.37Å; L475-M479 PolarHBondContact O-N 3.22Å; M479-I482 WeakPolarHBondContact O-CB 3.44Å; M479-I482 PolarHBondContact O-N 3.42Å; M479-I482 HydrophobicContact SD-CD1 4.11Å; M479-D483 PolarHBondContact O-N 3.41Å; M479-D483 VanDerWaalsContact O-N 3.08Å; M479-V499 HydrophobicContact SD-CG2 4.18Å; M479-Y516 HydrophobicContact CB-CD1 4.21Å; M479-Y516 HydrophobicContact CB-CE1 3.88Å; M479-Y516 HydrophobicContact CE-CD1 3.85Å; M479-Y516 HydrophobicContact CE-CG 3.96Å; M479-Y516 HydrophobicContact CG-CD1 3.94Å; M479-Y516 HydrophobicContact CG-CD2 3.92Å; M479-Y516 HydrophobicContact CG-CE1 3.95Å; M479-Y516 HydrophobicContact CG-CE2 3.9Å; M479-Y516 HydrophobicContact CG-CG 3.94Å; M479-Y516 HydrophobicContact SD-CG 4.4Å; M479-K519 HydrophobicContact CE-CB 4.3Å; M479-K519 HydrophobicContact CE-CG 4.21Å
480K95.5Very high92.6Very high132 Ų13244.2 Ų44.257%0.57424%0.24SC*.Hα-helixtrans-63.8-43.7172.4-174.8-177.6175.7-1740112D476 M477 V478 I482 D483 D484D476-K480 VanDerWaalsContact O-CB 3.31Å; D476-K480 WeakPolarHBondContact O-CB 3.32Å; D476-K480 PolarHBondContact O-N 3.06Å; M477-K480 PolarHBondContact O-N 3.49Å; V478-K480 VanDerWaalsContact C-N 3.3Å; V478-K480 PolarHBondContact O-N 3.41Å; K480-I482 VanDerWaalsContact C-N 3.27Å; K480-I482 PolarHBondContact O-N 2.99Å; K480-D483 WeakPolarHBondContact O-CB 3.38Å; K480-D483 PolarHBondContact O-N 3.46Å; K480-D483 VanDerWaalsContact O-N 3.12Å; K480-D484 VanDerWaalsContact O-CG 3.32Å; K480-D484 PolarHBondContact O-N 2.91Å
481A95.7Very high93Very high10 Ų1041.4 Ų41.48%0.08322%0.223CC..Hα-helixtrans-61.5-37.7177.500000111.9L430 M477 V478 D484 H485 L495L430-A481 HydrophobicContact CD2-CB 3.85Å; M477-A481 WeakPolarHBondContact O-CB 3.4Å; M477-A481 PolarHBondContact O-N 3.14Å; V478-A481 WeakPolarHBondContact O-CB 3.5Å; V478-A481 PolarHBondContact O-N 3.43Å; V478-A481 VanDerWaalsContact O-N 3.09Å; A481-D484 PolarHBondContact O-N 3.31Å; A481-H485 PolarHBondContact O-N 3.11Å; A481-H485 VanDerWaalsContact O-N 3.15Å; A481-H485 PolarHBondContact O-ND1 3.01Å; A481-L495 HydrophobicContact CB-CD1 4.11Å
482I95.4Very high93.4Very high0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-60-45.2172.7-72.3169.3000110.9V478 M479 K480 H485 L492 L495 L496 V499 L523V478-I482 HydrophobicContact CG1-CD1 4.06Å; V478-I482 WeakPolarHBondContact O-CG1 3.35Å; V478-I482 PolarHBondContact O-N 3.29Å; M479-I482 WeakPolarHBondContact O-CB 3.44Å; M479-I482 PolarHBondContact O-N 3.42Å; M479-I482 HydrophobicContact SD-CD1 4.11Å; K480-I482 VanDerWaalsContact C-N 3.27Å; K480-I482 PolarHBondContact O-N 2.99Å; I482-H485 PolarHBondContact O-N 3.13Å; I482-L492 HydrophobicContact CB-CD1 4.24Å; I482-L492 HydrophobicContact CG1-CD1 4.43Å; I482-L492 HydrophobicContact CG2-CD1 3.67Å; I482-L495 HydrophobicContact CG1-CB 3.92Å; I482-L496 HydrophobicContact CD1-CD2 3.98Å; I482-L496 HydrophobicContact CD1-CG 4.46Å; I482-V499 HydrophobicContact CD1-CG2 3.67Å; I482-L523 HydrophobicContact CG2-CD1 4.23Å
483D94.1Very high93.4Very high62 Ų6240.8 Ų40.833%0.33222%0.219SC..Hα-helixtrans-64.5-40.3176.8-79.7-32.1000112.8M479 K480 H485 L486 K519M479-D483 PolarHBondContact O-N 3.41Å; M479-D483 VanDerWaalsContact O-N 3.08Å; K480-D483 WeakPolarHBondContact O-CB 3.38Å; K480-D483 PolarHBondContact O-N 3.46Å; K480-D483 VanDerWaalsContact O-N 3.12Å; D483-H485 VanDerWaalsContact C-N 3.26Å; D483-H485 PolarHBondContact O-N 2.87Å; D483-L486 WeakPolarHBondContact O-CG 3.43Å; D483-K519 WeakPolarHBondContact OD1-CD 3.34Å; D483-K519 WeakPolarHBondContact OD1-CE 3.31Å; D483-K519 IonicContact OD1-NZ 3.99Å; D483-K519 PolarHBondContact OD1-NZ 3.47Å
484D94.9Very high93.5Very high106 Ų10639.6 Ų39.657%0.56721%0.206SC*.Hα-helixtrans-70.7-21.1-178-69.8-20.8000112.4K480 A481K480-D484 VanDerWaalsContact O-CG 3.32Å; K480-D484 PolarHBondContact O-N 2.91Å; A481-D484 PolarHBondContact O-N 3.31Å
485H93.7Very high93.6Very high34 Ų3439.2 Ų39.216%0.15720%0.204CC..THydrogen-bonded Turntrans-114.723.1-174.4-62.778.4000114.5E434 A481 I482 D483 S487 N488 L495E434-H485 IonicContact OE1-CD2 3.76Å; A481-H485 PolarHBondContact O-N 3.11Å; A481-H485 VanDerWaalsContact O-N 3.15Å; A481-H485 PolarHBondContact O-ND1 3.01Å; I482-H485 PolarHBondContact O-N 3.13Å; D483-H485 VanDerWaalsContact C-N 3.26Å; D483-H485 PolarHBondContact O-N 2.87Å; H485-S487 PolarHBondContact O-N 2.72Å; H485-N488 PolarHBondContact O-N 2.75Å; H485-L495 HydrophobicContact CB-CD1 4.38Å
486L92.3Very high93.7Very high40 Ų4039.2 Ų39.221%0.20920%0.204CC..THydrogen-bonded Turntrans-58.2-21178.9-67.4170.4000114.5D483 N488 L492 K519 L523 F526 Y532D483-L486 WeakPolarHBondContact O-CG 3.43Å; L486-N488 VanDerWaalsContact C-N 3.34Å; L486-L492 HydrophobicContact CD2-CD1 4.48Å; L486-L492 HydrophobicContact CD2-CD2 4.28Å; L486-K519 VanDerWaalsContact CD1-NZ 3.32Å; L486-L523 HydrophobicContact CD2-CD2 3.93Å; L486-F526 HydrophobicContact CB-CZ 4.21Å; L486-F526 HydrophobicContact CD2-CZ 4.5Å; L486-Y532 WeakPolarHBondContact O-CE1 3.41Å; L486-Y532 PolarHBondContact O-OH 2.97Å
487S91.7Very high93.6Very high86 Ų8638.5 Ų38.560%0.60120%0.202SC*.THydrogen-bonded Turntrans-80.6-11177.952.50000114.7H485 R531H485-S487 PolarHBondContact O-N 2.72Å; S487-R531 PolarHBondContact O-NH2 2.89Å
488N92.5Very high93.6Very high33 Ų3334.9 Ų34.918%0.17618%0.184CC..  trans-119.991.8-174.3-173.9-26.3000109.9E434 H485 L486 E490 C491 L492E434-N488 PolarHBondContact OE1-ND2 2.86Å; H485-N488 PolarHBondContact O-N 2.75Å; L486-N488 VanDerWaalsContact C-N 3.34Å; N488-E490 VanDerWaalsContact C-N 3.31Å; N488-E490 PolarHBondContact O-N 3.29Å; N488-E490 PolarHBondContact OD1-N 3.46Å; N488-E490 PolarHBondContact OD1-OE2 2.85Å; N488-C491 HydrophobicContact CB-CB 4.16Å; N488-C491 PolarHBondContact O-N 3.24Å; N488-C491 PolarHBondContact OD1-N 2.95Å; N488-C491 VanDerWaalsContact OD1-N 3.09Å; N488-L492 WeakPolarHBondContact O-CB 3.38Å; N488-L492 PolarHBondContact O-N 3.21Å
489P90.6Very high93.5Very high6 Ų635 Ų354%0.03919%0.185CC..Hα-helixtrans-65.6-31.2-173.626.3-33.6000113.4T493 R531 Y532 V535P489-T493 WeakPolarHBondContact O-CB 3.25Å; P489-T493 PolarHBondContact O-N 3.35Å; P489-T493 PolarHBondContact O-OG1 3.33Å; P489-R531 HydrophobicContact CG-CG 4.05Å; P489-Y532 HydrophobicContact CB-CD1 3.98Å; P489-Y532 HydrophobicContact CB-CE1 4Å; P489-V535 HydrophobicContact CB-CG2 3.81Å; P489-V535 WeakPolarHBondContact O-CG2 3.14Å
490E89.2Confident93.2Very high133 Ų13335.5 Ų35.562%0.62119%0.188SC*.Hα-helixtrans-65.6-52.8177.8-6280.2-173.400110.4N488 L492 T493 E494N488-E490 VanDerWaalsContact C-N 3.31Å; N488-E490 PolarHBondContact O-N 3.29Å; N488-E490 PolarHBondContact OD1-N 3.46Å; N488-E490 PolarHBondContact OD1-OE2 2.85Å; E490-L492 VanDerWaalsContact C-N 3.31Å; E490-L492 PolarHBondContact O-N 3.45Å; E490-T493 PolarHBondContact O-N 2.92Å; E490-E494 PolarHBondContact O-N 3.13Å
491C93.4Very high92.8Very high1 Ų129.5 Ų29.51%0.00716%0.163CC..Hα-helixtrans-62.5-40.2176.7-172.50000111.8E434 T437 N488 T493 E494 L495E434-C491 HydrophobicContact CG-CB 4.47Å; T437-C491 PolarHBondContact OG1-SG 3.41Å; N488-C491 HydrophobicContact CB-CB 4.16Å; N488-C491 PolarHBondContact O-N 3.24Å; N488-C491 PolarHBondContact OD1-N 2.95Å; N488-C491 VanDerWaalsContact OD1-N 3.09Å; C491-T493 PolarHBondContact O-N 3.43Å; C491-E494 PolarHBondContact O-N 3.31Å; C491-L495 WeakPolarHBondContact O-CG 3.27Å; C491-L495 PolarHBondContact O-N 3.22Å
492L94Very high92.6Very high0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-61.3-42179.6-177.461.8000112.5I482 L486 N488 E490 E494 L495 L496 L523 V535I482-L492 HydrophobicContact CB-CD1 4.24Å; I482-L492 HydrophobicContact CG1-CD1 4.43Å; I482-L492 HydrophobicContact CG2-CD1 3.67Å; L486-L492 HydrophobicContact CD2-CD1 4.48Å; L486-L492 HydrophobicContact CD2-CD2 4.28Å; N488-L492 WeakPolarHBondContact O-CB 3.38Å; N488-L492 PolarHBondContact O-N 3.21Å; E490-L492 VanDerWaalsContact C-N 3.31Å; E490-L492 PolarHBondContact O-N 3.45Å; L492-E494 VanDerWaalsContact C-N 3.32Å; L492-E494 PolarHBondContact O-N 2.99Å; L492-L495 PolarHBondContact O-N 3.24Å; L492-L496 HydrophobicContact CG-CD1 4.36Å; L492-L496 VanDerWaalsContact O-CG 3.28Å; L492-L496 WeakPolarHBondContact O-CG 3.3Å; L492-L496 PolarHBondContact O-N 3.39Å; L492-L523 HydrophobicContact CD2-CD2 4.46Å; L492-V535 HydrophobicContact CB-CG2 4.41Å; L492-V535 HydrophobicContact CD2-CG1 3.68Å; L492-V535 HydrophobicContact CD2-CG2 4.11Å; L492-V535 HydrophobicContact CG-CG1 4.04Å; L492-V535 HydrophobicContact CG-CG2 4.36Å
493T91.7Very high92.4Very high23 Ų2329.1 Ų29.114%0.14116%0.16CC..Hα-helixtrans-60.3-45177.6-57.20000110.8P489 E490 C491 L496 V535 H538P489-T493 WeakPolarHBondContact O-CB 3.25Å; P489-T493 PolarHBondContact O-N 3.35Å; P489-T493 PolarHBondContact O-OG1 3.33Å; E490-T493 PolarHBondContact O-N 2.92Å; C491-T493 PolarHBondContact O-N 3.43Å; T493-L496 PolarHBondContact O-N 3.28Å; T493-V535 WeakPolarHBondContact OG1-CG2 3.45Å; T493-H538 HydrophobicContact CG2-CB 3.88Å; T493-H538 PolarHBondContact O-CD2 2.92Å; T493-H538 PolarHBondContact O-NE2 3.44Å
494E92.5Very high92.2Very high43 Ų4326.9 Ų26.920%0.20115%0.149CC..Hα-helixtrans-68.5-39179.7-66.9-54.3147.600112.7T437 F442 H443 L446 E490 C491 L492 L496 S497T437-E494 HydrophobicContact CG2-CB 3.52Å; T437-E494 HydrophobicContact CG2-CG 4.29Å; F442-E494 HydrophobicContact CD1-CB 4.3Å; F442-E494 HydrophobicContact CD1-CG 4.41Å; F442-E494 HydrophobicContact CE1-CB 3.63Å; F442-E494 HydrophobicContact CE1-CG 4.19Å; F442-E494 WeakPolarHBondContact CE1-OE2 3.31Å; F442-E494 HydrophobicContact CZ-CB 4.31Å; H443-E494 IonicContact CE1-OE1 2.96Å; H443-E494 IonicContact CE1-OE2 2.77Å; H443-E494 IonicContact ND1-OE2 3.29Å; L446-E494 WeakPolarHBondContact CD1-OE2 3.33Å; E490-E494 PolarHBondContact O-N 3.13Å; C491-E494 PolarHBondContact O-N 3.31Å; L492-E494 VanDerWaalsContact C-N 3.32Å; L492-E494 PolarHBondContact O-N 2.99Å; E494-L496 VanDerWaalsContact C-N 3.35Å; E494-L496 PolarHBondContact O-N 3.28Å; E494-S497 WeakPolarHBondContact O-CB 3.47Å; E494-S497 PolarHBondContact O-N 3.29Å
495L94.6Very high91.9Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-66.3-35.3176-73176.3000112.8L430 P433 A481 I482 H485 C491 L492 S497 L498L430-L495 HydrophobicContact CD2-CD2 4.18Å; P433-L495 HydrophobicContact CB-CD1 4.18Å; P433-L495 HydrophobicContact CB-CD2 4.26Å; A481-L495 HydrophobicContact CB-CD1 4.11Å; I482-L495 HydrophobicContact CG1-CB 3.92Å; H485-L495 HydrophobicContact CB-CD1 4.38Å; C491-L495 WeakPolarHBondContact O-CG 3.27Å; C491-L495 PolarHBondContact O-N 3.22Å; L492-L495 PolarHBondContact O-N 3.24Å; L495-S497 PolarHBondContact O-N 3.34Å; L495-L498 HydrophobicContact CD2-CD1 3.95Å; L495-L498 WeakPolarHBondContact O-CB 3.25Å; L495-L498 PolarHBondContact O-N 3.32Å; L495-L498 VanDerWaalsContact O-N 3.09Å
496L94.7Very high91.7Very high1 Ų120.9 Ų20.91%0.00512%0.117CC..Hα-helixtrans-61.2-32.1177-77.8165.2000112.4I482 L492 T493 E494 L498 V499 L520 L523 V535 V539I482-L496 HydrophobicContact CD1-CD2 3.98Å; I482-L496 HydrophobicContact CD1-CG 4.46Å; L492-L496 HydrophobicContact CG-CD1 4.36Å; L492-L496 VanDerWaalsContact O-CG 3.28Å; L492-L496 WeakPolarHBondContact O-CG 3.3Å; L492-L496 PolarHBondContact O-N 3.39Å; T493-L496 PolarHBondContact O-N 3.28Å; E494-L496 VanDerWaalsContact C-N 3.35Å; E494-L496 PolarHBondContact O-N 3.28Å; L496-L498 PolarHBondContact O-N 2.94Å; L496-V499 WeakPolarHBondContact O-CB 3.12Å; L496-V499 WeakPolarHBondContact O-CG2 3.11Å; L496-V499 PolarHBondContact O-N 3.32Å; L496-V499 VanDerWaalsContact O-N 3.1Å; L496-L520 HydrophobicContact CD2-CD2 3.76Å; L496-L523 HydrophobicContact CD2-CD1 4.01Å; L496-V535 HydrophobicContact CD1-CG1 3.87Å; L496-V539 HydrophobicContact CD1-CB 4.19Å; L496-V539 HydrophobicContact CD2-CG2 4.29Å
497S92.7Very high91.5Very high20 Ų2024.1 Ų24.114%0.1413%0.127CC..THydrogen-bonded Turntrans-62.1-23.4176.1-67.20000113.1E494 L495 V499 T500 H538E494-S497 WeakPolarHBondContact O-CB 3.47Å; E494-S497 PolarHBondContact O-N 3.29Å; L495-S497 PolarHBondContact O-N 3.34Å; S497-V499 VanDerWaalsContact C-N 3.31Å; S497-T500 PolarHBondContact O-OG1 3.36Å; S497-H538 PolarHBondContact OG-CE1 2.95Å; S497-H538 PolarHBondContact OG-NE2 2.93Å
498L94.2Very high91.1Very high0 Ų022.5 Ų22.50%011%0.114CC..THydrogen-bonded Turntrans-73.8-24.4177.9-58.5172.7000112.3L426 Y445 L446 Y449 V478 L495 L496 T500 G501L426-L498 HydrophobicContact CD1-CD1 3.85Å; L426-L498 HydrophobicContact CD1-CD2 4.28Å; Y445-L498 HydrophobicContact CE1-CD2 3.8Å; L446-L498 HydrophobicContact CD2-CD2 3.51Å; L446-L498 HydrophobicContact CD2-CG 4.3Å; Y449-L498 HydrophobicContact CD1-CD2 4.3Å; Y449-L498 HydrophobicContact CE1-CD2 4.14Å; Y449-L498 PolarHBondContact OH-O 2.92Å; V478-L498 HydrophobicContact CG1-CB 3.97Å; V478-L498 HydrophobicContact CG2-CB 4.24Å; V478-L498 HydrophobicContact CG2-CD1 4.41Å; L495-L498 HydrophobicContact CD2-CD1 3.95Å; L495-L498 WeakPolarHBondContact O-CB 3.25Å; L495-L498 PolarHBondContact O-N 3.32Å; L495-L498 VanDerWaalsContact O-N 3.09Å; L496-L498 PolarHBondContact O-N 2.94Å; L498-T500 PolarHBondContact O-N 3.18Å; L498-G501 PolarHBondContact O-N 3.31Å
499V94.2Very high90.8Very high2 Ų226.9 Ų26.91%0.01214%0.142CC..Hα-helixtrans-63-45.2-174.6178.80000111.2L475 V478 M479 I482 L496 S497 G501 L502 F503 L520 L546L475-V499 HydrophobicContact CD1-CG1 4.41Å; V478-V499 HydrophobicContact CG1-CG2 4.05Å; M479-V499 HydrophobicContact SD-CG2 4.18Å; I482-V499 HydrophobicContact CD1-CG2 3.67Å; L496-V499 WeakPolarHBondContact O-CB 3.12Å; L496-V499 WeakPolarHBondContact O-CG2 3.11Å; L496-V499 PolarHBondContact O-N 3.32Å; L496-V499 VanDerWaalsContact O-N 3.1Å; S497-V499 VanDerWaalsContact C-N 3.31Å; V499-G501 PolarHBondContact O-N 2.81Å; V499-G501 VanDerWaalsContact O-N 3.16Å; V499-L502 PolarHBondContact O-N 2.81Å; V499-F503 HydrophobicContact CG1-CB 4.33Å; V499-F503 HydrophobicContact CG1-CD2 4.03Å; V499-F503 VanDerWaalsContact O-CB 3.23Å; V499-F503 WeakPolarHBondContact O-CB 3.22Å; V499-F503 PolarHBondContact O-N 2.88Å; V499-L520 HydrophobicContact CG1-CD1 4.37Å; V499-L546 HydrophobicContact CG1-CD1 4.45Å
500T89.2Confident90.7Very high14 Ų1428.3 Ų28.39%0.08615%0.147CC..Hα-helixtrans-64.4-21.2-176.941.10000114.3S497 L498 P504 Q542 K545 L546S497-T500 PolarHBondContact O-OG1 3.36Å; L498-T500 PolarHBondContact O-N 3.18Å; T500-P504 WeakPolarHBondContact O-CD 3.42Å; T500-P504 VanDerWaalsContact O-CG 3.25Å; T500-P504 WeakPolarHBondContact O-CG 3.28Å; T500-Q542 HydrophobicContact CG2-CB 4.27Å; T500-Q542 PolarHBondContact OG1-OE1 3.45Å; T500-K545 HydrophobicContact CG2-CB 4.11Å; T500-K545 HydrophobicContact CG2-CD 4.04Å; T500-K545 HydrophobicContact CG2-CG 4.09Å; T500-L546 HydrophobicContact CG2-CD2 3.85Å; T500-L546 HydrophobicContact CG2-CG 3.85Å
501G88.6Confident90.7Very high5 Ų526.9 Ų26.95%0.05215%0.152CC..Hα-helixtrans-77.1-38.9174.200000113.9L498 V499 F505L498-G501 PolarHBondContact O-N 3.31Å; V499-G501 PolarHBondContact O-N 2.81Å; V499-G501 VanDerWaalsContact O-N 3.16Å; G501-F505 WeakPolarHBondContact O-CD2 3.46Å; G501-F505 WeakPolarHBondContact O-CE2 3.45Å
502L90.9Very high90.6Very high1 Ų130.4 Ų30.41%0.00517%0.165CC..Hα-helixtrans-97.6-26.1-173.8-75164.7000114.5L426 Y449 A471 H474 L475 V478 V499 P504 F505 Q506L426-L502 HydrophobicContact CD2-CD1 3.82Å; Y449-L502 WeakPolarHBondContact OH-CD1 3.27Å; Y449-L502 WeakPolarHBondContact OH-CG 3.43Å; A471-L502 HydrophobicContact CB-CD2 4.01Å; H474-L502 HydrophobicContact CB-CD1 3.77Å; H474-L502 HydrophobicContact CB-CD2 4.29Å; L475-L502 HydrophobicContact CB-CB 4.23Å; L475-L502 HydrophobicContact CD1-CB 4.24Å; V478-L502 HydrophobicContact CG2-CD1 4.19Å; V499-L502 PolarHBondContact O-N 2.81Å; L502-P504 VanDerWaalsContact C-CD 3.43Å; L502-F505 PolarHBondContact O-N 3.19Å; L502-Q506 PolarHBondContact O-NE2 2.92Å
503F91.8Very high90.5Very high1 Ų130.4 Ų30.40%0.00417%0.165CC..G310 helixtrans-59.2-38.9179.3-159.9-75.4000113.7L475 V499 F505 Q506 L513 L517 L546 C550 I553 L554L475-F503 HydrophobicContact CD2-CD2 4.38Å; V499-F503 HydrophobicContact CG1-CB 4.33Å; V499-F503 HydrophobicContact CG1-CD2 4.03Å; V499-F503 VanDerWaalsContact O-CB 3.23Å; V499-F503 WeakPolarHBondContact O-CB 3.22Å; V499-F503 PolarHBondContact O-N 2.88Å; F503-F505 PolarHBondContact O-N 3.09Å; F503-F505 VanDerWaalsContact O-N 3.14Å; F503-Q506 WeakPolarHBondContact O-CB 3.43Å; F503-Q506 VanDerWaalsContact O-CG 3.28Å; F503-Q506 WeakPolarHBondContact O-CG 3.43Å; F503-Q506 PolarHBondContact O-N 3.42Å; F503-Q506 VanDerWaalsContact O-N 3.12Å; F503-L513 HydrophobicContact CD2-CD1 4.46Å; F503-L513 HydrophobicContact CE1-CD1 3.96Å; F503-L513 HydrophobicContact CE2-CD1 3.61Å; F503-L513 HydrophobicContact CZ-CD1 3.32Å; F503-L513 HydrophobicContact CZ-CG 4.11Å; F503-L517 HydrophobicContact CZ-CD2 4.06Å; F503-L546 HydrophobicContact CB-CD2 3.63Å; F503-L546 HydrophobicContact CD1-CD2 3.81Å; F503-L546 HydrophobicContact CD2-CD1 4.24Å; F503-L546 HydrophobicContact CD2-CD2 4.49Å; F503-L546 HydrophobicContact CE2-CD1 4.44Å; F503-L546 HydrophobicContact CG-CD1 4.26Å; F503-L546 HydrophobicContact CG-CD2 3.74Å; F503-C550 HydrophobicContact CD1-CB 4.25Å; F503-C550 HydrophobicContact CE1-CB 4.45Å; F503-I553 HydrophobicContact CE1-CG2 4.12Å; F503-L554 HydrophobicContact CE1-CD2 3.65Å; F503-L554 HydrophobicContact CE1-CG 4.29Å; F503-L554 HydrophobicContact CZ-CD2 3.74Å
504P88.9Confident90.5Very high15 Ų1531.3 Ų31.310%0.09717%0.171CC..G310 helixtrans-62.7-18.6178.8-23.733.8000115.2L457 T500 L502 Q506 T549 C550 I553L457-P504 HydrophobicContact CD1-CB 3.56Å; L457-P504 HydrophobicContact CD1-CG 3.88Å; L457-P504 HydrophobicContact CD2-CB 3.51Å; L457-P504 HydrophobicContact CG-CB 4.14Å; T500-P504 WeakPolarHBondContact O-CD 3.42Å; T500-P504 VanDerWaalsContact O-CG 3.25Å; T500-P504 WeakPolarHBondContact O-CG 3.28Å; L502-P504 VanDerWaalsContact C-CD 3.43Å; P504-Q506 VanDerWaalsContact C-N 3.32Å; P504-T549 HydrophobicContact CB-CG2 4.45Å; P504-T549 HydrophobicContact CG-CG2 4.1Å; P504-C550 VanDerWaalsContact CA-SG 3.54Å; P504-C550 VanDerWaalsContact CG-SG 3.53Å; P504-I553 VanDerWaalsContact O-CD1 3.3Å; P504-I553 WeakPolarHBondContact O-CD1 3.26Å
505F88.6Confident90.6Very high9 Ų934 Ų344%0.03918%0.184CC..G310 helixtrans-87.71.6178.1-57.5-69.8000113.5C453 L456 L457 I467 S468 A471 G501 L502 F503C453-F505 HydrophobicContact CB-CE2 4.29Å; L456-F505 HydrophobicContact CB-CE1 3.96Å; L456-F505 HydrophobicContact CB-CZ 3.71Å; L456-F505 HydrophobicContact CD1-CZ 4.26Å; L457-F505 HydrophobicContact CD2-CD1 3.88Å; L457-F505 HydrophobicContact CD2-CE1 3.48Å; L457-F505 VanDerWaalsContact CD2-CE1 3.48Å; L457-F505 HydrophobicContact CD2-CZ 3.88Å; L457-F505 HydrophobicContact CG-CE1 3.97Å; L457-F505 HydrophobicContact CG-CZ 3.95Å; I467-F505 HydrophobicContact CB-CD1 4.43Å; I467-F505 HydrophobicContact CG2-CB 4.3Å; I467-F505 HydrophobicContact CG2-CD1 3.61Å; I467-F505 HydrophobicContact CG2-CD2 4.24Å; I467-F505 HydrophobicContact CG2-CE1 3.95Å; I467-F505 HydrophobicContact CG2-CG 3.78Å; I467-F505 HydrophobicContact CG2-CZ 4.41Å; S468-F505 WeakPolarHBondContact CA-O 3.41Å; S468-F505 VanDerWaalsContact CB-O 3.27Å; S468-F505 WeakPolarHBondContact CB-O 3.38Å; S468-F505 PolarHBondContact OG-O 2.94Å; A471-F505 HydrophobicContact CB-CB 3.66Å; A471-F505 HydrophobicContact CB-CD2 4.35Å; A471-F505 HydrophobicContact CB-CG 4.3Å; G501-F505 WeakPolarHBondContact O-CD2 3.46Å; G501-F505 WeakPolarHBondContact O-CE2 3.45Å; L502-F505 PolarHBondContact O-N 3.19Å; F503-F505 PolarHBondContact O-N 3.09Å; F503-F505 VanDerWaalsContact O-N 3.14Å
506Q89.5Confident90.6Very high6 Ų634.1 Ų34.13%0.02818%0.184CC..SBendtrans-82.8149.9-177.6-56.2-52.1-49.400112.1L475 L502 F503 P504 I553L475-Q506 HydrophobicContact CD2-CG 3.47Å; L475-Q506 VanDerWaalsContact CD2-CG 3.47Å; L502-Q506 PolarHBondContact O-NE2 2.92Å; F503-Q506 WeakPolarHBondContact O-CB 3.43Å; F503-Q506 VanDerWaalsContact O-CG 3.28Å; F503-Q506 WeakPolarHBondContact O-CG 3.43Å; F503-Q506 PolarHBondContact O-N 3.42Å; F503-Q506 VanDerWaalsContact O-N 3.12Å; P504-Q506 VanDerWaalsContact C-N 3.32Å; Q506-I553 WeakPolarHBondContact O-CD1 3.46Å; Q506-I553 WeakPolarHBondContact O-CG1 3.49Å
507R87.1Confident90.6Very high107 Ų10734.2 Ų34.240%0.40419%0.185SC..  trans-81.1144172.3-60.8-178.8-172.3-156.6-4.2109.9E465 T509 Y510E465-R507 IonicContact OE1-CZ 2.72Å; E465-R507 IonicContact OE1-NH1 3.19Å; E465-R507 IonicContact OE1-NH2 3.96Å; E465-R507 PolarHBondContact OE1-NH2 3.26Å; R507-T509 PolarHBondContact O-N 3.41Å; R507-T509 VanDerWaalsContact O-N 3.09Å; R507-Y510 VanDerWaalsContact O-CB 3.26Å; R507-Y510 WeakPolarHBondContact O-CB 3.4Å; R507-Y510 PolarHBondContact O-N 3.42Å
508P83.9Confident90.7Very high52 Ų5235.6 Ų35.634%0.33819%0.192SC..THydrogen-bonded Turntrans-59-26.7177.3-17.625.8000113.4Y510 P556 H557P508-Y510 VanDerWaalsContact C-N 3.29Å; P508-Y510 PolarHBondContact O-N 3.49Å; P508-P556 HydrophobicContact CB-CG 4.03Å; P508-H557 PolarHBondContact O-NE2 3.4Å
509T85.7Confident90.7Very high125 Ų12537.6 Ų37.677%0.76720%0.201SC*.THydrogen-bonded Turntrans-84.85.3178.459.30000113.8R507 S511R507-T509 PolarHBondContact O-N 3.41Å; R507-T509 VanDerWaalsContact O-N 3.09Å; T509-S511 PolarHBondContact O-N 3.31Å
510Y88.8Confident90.7Very high37 Ų3737.7 Ų37.715%0.14520%0.201CC..  trans-64.1122.3179.6-178.3-129.2000110.7V472 D476 R507 P508 R512 L513 Y516V472-Y510 HydrophobicContact CG1-CD2 4.45Å; V472-Y510 HydrophobicContact CG1-CE1 4.5Å; V472-Y510 HydrophobicContact CG1-CE2 3.72Å; D476-Y510 PolarHBondContact OD1-OH 3.42Å; D476-Y510 PolarHBondContact OD2-OH 3.28Å; D476-Y510 VanDerWaalsContact OD2-OH 3.11Å; R507-Y510 VanDerWaalsContact O-CB 3.26Å; R507-Y510 WeakPolarHBondContact O-CB 3.4Å; R507-Y510 PolarHBondContact O-N 3.42Å; P508-Y510 VanDerWaalsContact C-N 3.29Å; P508-Y510 PolarHBondContact O-N 3.49Å; Y510-R512 VanDerWaalsContact C-N 3.3Å; Y510-R512 HydrophobicContact CD1-CB 4.41Å; Y510-R512 HydrophobicContact CE1-CB 3.76Å; Y510-R512 HydrophobicContact CE1-CG 4.44Å; Y510-R512 PolarHBondContact O-N 3.14Å; Y510-R512 WeakPolarHBondContact OH-CD 3.32Å; Y510-L513 HydrophobicContact CD1-CB 4.47Å; Y510-L513 VanDerWaalsContact O-CB 3.29Å; Y510-L513 WeakPolarHBondContact O-CB 3.28Å; Y510-L513 PolarHBondContact O-N 2.99Å; Y510-L513 VanDerWaalsContact O-N 3.11Å; Y510-Y516 AromaticContact CE1-CE2 3.82Å; Y510-Y516 HydrophobicContact CE1-CE2 3.82Å
511S88.9Confident91Very high103 Ų10337.2 Ų37.272%0.7220%0.198SC*.THydrogen-bonded Turntrans-65.2-28.4-165.6550000114.4T509T509-S511 PolarHBondContact O-N 3.31Å
512R91.6Very high91.2Very high75 Ų7538.8 Ų38.828%0.28321%0.209SC..THydrogen-bonded Turntrans-88.6-4179.3-56.9-172.469.8-164.8-1.4113.7D476 Y510 E515 Y516D476-R512 IonicContact OD2-CZ 3.91Å; D476-R512 IonicContact OD2-NH1 3.17Å; D476-R512 PolarHBondContact OD2-NH1 2.88Å; Y510-R512 VanDerWaalsContact C-N 3.3Å; Y510-R512 HydrophobicContact CD1-CB 4.41Å; Y510-R512 HydrophobicContact CE1-CB 3.76Å; Y510-R512 HydrophobicContact CE1-CG 4.44Å; Y510-R512 PolarHBondContact O-N 3.14Å; Y510-R512 WeakPolarHBondContact OH-CD 3.32Å; R512-E515 IonicContact CZ-OE1 3.74Å; R512-E515 IonicContact CZ-OE2 2.8Å; R512-E515 IonicContact NE-OE1 3.66Å; R512-E515 IonicContact NE-OE2 2.66Å; R512-E515 PolarHBondContact NE-OE2 3.28Å; R512-E515 IonicContact NH2-OE1 2.85Å; R512-E515 PolarHBondContact NH2-OE1 3.31Å; R512-E515 IonicContact NH2-OE2 2.56Å; R512-E515 VanDerWaalsContact O-CB 3.29Å; R512-E515 WeakPolarHBondContact O-CB 3.49Å; R512-E515 PolarHBondContact O-N 3.13Å; R512-E515 VanDerWaalsContact O-N 3.1Å; R512-Y516 HydrophobicContact CB-CE1 4.06Å; R512-Y516 HydrophobicContact CB-CE2 4.15Å; R512-Y516 PolarHBondContact NE-OH 3.21Å; R512-Y516 PolarHBondContact NH1-OH 2.81Å; R512-Y516 PolarHBondContact O-N 3.47Å
513L91.6Very high91.4Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-58.5-43-177.2-159.267.3000113.4F503 Y510 E515 Y516 L517 I553F503-L513 HydrophobicContact CD2-CD1 4.46Å; F503-L513 HydrophobicContact CE1-CD1 3.96Å; F503-L513 HydrophobicContact CE2-CD1 3.61Å; F503-L513 HydrophobicContact CZ-CD1 3.32Å; F503-L513 HydrophobicContact CZ-CG 4.11Å; Y510-L513 HydrophobicContact CD1-CB 4.47Å; Y510-L513 VanDerWaalsContact O-CB 3.29Å; Y510-L513 WeakPolarHBondContact O-CB 3.28Å; Y510-L513 PolarHBondContact O-N 2.99Å; Y510-L513 VanDerWaalsContact O-N 3.11Å; L513-E515 VanDerWaalsContact C-N 3.32Å; L513-E515 PolarHBondContact O-N 2.89Å; L513-Y516 PolarHBondContact O-N 3.19Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.18Å; L513-I553 HydrophobicContact CD2-CG2 3.63Å
514P92.9Very high91.4Very high41 Ų4138.9 Ų38.927%0.26621%0.209SC..Hα-helixtrans-63.3-34.8175-2233.9000113.6T518P514-T518 WeakPolarHBondContact O-CB 3.48Å; P514-T518 PolarHBondContact O-N 3.15Å; P514-T518 PolarHBondContact O-OG1 2.89Å
515E94.9Very high91.4Very high99 Ų9940.1 Ų40.146%0.46322%0.215SC..Hα-helixtrans-62.2-46.5175.4-175.8-165.8151.400109.8R512 L513 T518 K519R512-E515 IonicContact CZ-OE1 3.74Å; R512-E515 IonicContact CZ-OE2 2.8Å; R512-E515 IonicContact NE-OE1 3.66Å; R512-E515 IonicContact NE-OE2 2.66Å; R512-E515 PolarHBondContact NE-OE2 3.28Å; R512-E515 IonicContact NH2-OE1 2.85Å; R512-E515 PolarHBondContact NH2-OE1 3.31Å; R512-E515 IonicContact NH2-OE2 2.56Å; R512-E515 VanDerWaalsContact O-CB 3.29Å; R512-E515 WeakPolarHBondContact O-CB 3.49Å; R512-E515 PolarHBondContact O-N 3.13Å; R512-E515 VanDerWaalsContact O-N 3.1Å; L513-E515 VanDerWaalsContact C-N 3.32Å; L513-E515 PolarHBondContact O-N 2.89Å; E515-T518 PolarHBondContact O-N 3.33Å; E515-K519 PolarHBondContact O-N 2.95Å
516Y94.4Very high91.3Very high4 Ų442.6 Ų42.62%0.01623%0.226CC..Hα-helixtrans-66.1-43.1179.2-62-13.7000112.7L475 D476 M479 Y510 R512 L513 T518 K519 L520L475-Y516 HydrophobicContact CD2-CD2 4.29Å; L475-Y516 HydrophobicContact CD2-CE2 4.21Å; L475-Y516 HydrophobicContact CG-CE2 4.22Å; D476-Y516 PolarHBondContact OD1-OH 3.01Å; D476-Y516 PolarHBondContact OD2-OH 3.38Å; M479-Y516 HydrophobicContact CB-CD1 4.21Å; M479-Y516 HydrophobicContact CB-CE1 3.88Å; M479-Y516 HydrophobicContact CE-CD1 3.85Å; M479-Y516 HydrophobicContact CE-CG 3.96Å; M479-Y516 HydrophobicContact CG-CD1 3.94Å; M479-Y516 HydrophobicContact CG-CD2 3.92Å; M479-Y516 HydrophobicContact CG-CE1 3.95Å; M479-Y516 HydrophobicContact CG-CE2 3.9Å; M479-Y516 HydrophobicContact CG-CG 3.94Å; M479-Y516 HydrophobicContact SD-CG 4.4Å; Y510-Y516 AromaticContact CE1-CE2 3.82Å; Y510-Y516 HydrophobicContact CE1-CE2 3.82Å; R512-Y516 HydrophobicContact CB-CE1 4.06Å; R512-Y516 HydrophobicContact CB-CE2 4.15Å; R512-Y516 PolarHBondContact NE-OH 3.21Å; R512-Y516 PolarHBondContact NH1-OH 2.81Å; R512-Y516 PolarHBondContact O-N 3.47Å; L513-Y516 PolarHBondContact O-N 3.19Å; Y516-T518 PolarHBondContact O-N 2.78Å; Y516-K519 WeakPolarHBondContact O-CB 3.37Å; Y516-K519 PolarHBondContact O-N 2.93Å; Y516-L520 WeakPolarHBondContact O-CG 3.46Å; Y516-L520 PolarHBondContact O-N 3.47Å
517L94.3Very high90.9Very high3 Ų347.4 Ų47.42%0.01625%0.251CS..Hα-helixtrans-61.3-44.7175.2-69.8172.2000111.5F503 L513 K519 L520 I521 L554 H557 I561F503-L517 HydrophobicContact CZ-CD2 4.06Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.18Å; L517-K519 VanDerWaalsContact C-N 3.26Å; L517-K519 PolarHBondContact O-N 3.05Å; L517-L520 PolarHBondContact O-N 3.14Å; L517-I521 WeakPolarHBondContact O-CB 3.49Å; L517-I521 VanDerWaalsContact O-CG1 3.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.28Å; L517-I521 PolarHBondContact O-N 3.16Å; L517-L554 HydrophobicContact CD1-CD2 4.1Å; L517-L554 HydrophobicContact CD2-CD2 3.68Å; L517-L554 HydrophobicContact CG-CD2 4.46Å; L517-H557 HydrophobicContact CD1-CB 3.87Å; L517-I561 HydrophobicContact CD1-CD1 4.11Å; L517-I561 HydrophobicContact CD1-CG1 4.08Å
518T95Very high90.2Very high49 Ų4945.6 Ų45.630%0.30127%0.266SS..Hα-helixtrans-58.9-42.2175.5-53.30000110.9P514 E515 Y516 S522 H560P514-T518 WeakPolarHBondContact O-CB 3.48Å; P514-T518 PolarHBondContact O-N 3.15Å; P514-T518 PolarHBondContact O-OG1 2.89Å; E515-T518 PolarHBondContact O-N 3.33Å; Y516-T518 PolarHBondContact O-N 2.78Å; T518-S522 WeakPolarHBondContact O-CB 3.35Å; T518-S522 PolarHBondContact O-N 2.92Å; T518-H560 PolarHBondContact OG1-NE2 3.16Å
519K93.8Very high90.1Very high41 Ų4145 Ų4518%0.17826%0.263CS..Hα-helixtrans-63.1-51.6177.6-177.968-169.4-155.30111.7M479 D483 L486 E515 Y516 L517 I521 S522 L523M479-K519 HydrophobicContact CE-CB 4.3Å; M479-K519 HydrophobicContact CE-CG 4.21Å; D483-K519 WeakPolarHBondContact OD1-CD 3.34Å; D483-K519 WeakPolarHBondContact OD1-CE 3.31Å; D483-K519 IonicContact OD1-NZ 3.99Å; D483-K519 PolarHBondContact OD1-NZ 3.47Å; L486-K519 VanDerWaalsContact CD1-NZ 3.32Å; E515-K519 PolarHBondContact O-N 2.95Å; Y516-K519 WeakPolarHBondContact O-CB 3.37Å; Y516-K519 PolarHBondContact O-N 2.93Å; L517-K519 VanDerWaalsContact C-N 3.26Å; L517-K519 PolarHBondContact O-N 3.05Å; K519-I521 VanDerWaalsContact C-N 3.33Å; K519-I521 PolarHBondContact O-N 3.17Å; K519-S522 PolarHBondContact O-N 3.41Å; K519-S522 VanDerWaalsContact O-N 3.16Å; K519-S522 PolarHBondContact O-OG 3.16Å; K519-L523 PolarHBondContact O-N 3.4Å; K519-L523 VanDerWaalsContact O-N 3.14Å
520L94.9Very high89.9Confident4 Ų445.5 Ų45.52%0.02126%0.257CS..Hα-helixtrans-60.1-42.4179.2-67173.7000111.7L496 V499 Y516 L517 S522 L523 V539 L543 L546L496-L520 HydrophobicContact CD2-CD2 3.76Å; V499-L520 HydrophobicContact CG1-CD1 4.37Å; Y516-L520 WeakPolarHBondContact O-CG 3.46Å; Y516-L520 PolarHBondContact O-N 3.47Å; L517-L520 PolarHBondContact O-N 3.14Å; L520-S522 VanDerWaalsContact C-N 3.35Å; L520-S522 PolarHBondContact O-N 2.92Å; L520-L523 WeakPolarHBondContact O-CB 3.47Å; L520-L523 PolarHBondContact O-N 2.87Å; L520-L523 VanDerWaalsContact O-N 3.17Å; L520-V539 HydrophobicContact CB-CG2 4.2Å; L520-V539 HydrophobicContact CD2-CG2 4.08Å; L520-V539 WeakPolarHBondContact O-CG2 3.48Å; L520-L543 HydrophobicContact CB-CD2 4.18Å; L520-L543 HydrophobicContact CD1-CD2 4.31Å; L520-L546 HydrophobicContact CD1-CD1 4.36Å
521I94.6Very high89.8Confident4 Ų450.9 Ų50.92%0.02128%0.277CS..Hα-helixtrans-64.7-39.6176.6-67.8167.9000111L517 K519 L523 L524 L543 I561 E564 L565 F568L517-I521 WeakPolarHBondContact O-CB 3.49Å; L517-I521 VanDerWaalsContact O-CG1 3.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.28Å; L517-I521 PolarHBondContact O-N 3.16Å; K519-I521 VanDerWaalsContact C-N 3.33Å; K519-I521 PolarHBondContact O-N 3.17Å; I521-L523 PolarHBondContact O-N 3.08Å; I521-L524 HydrophobicContact CB-CD1 4.47Å; I521-L524 HydrophobicContact CG2-CD1 4.21Å; I521-L524 VanDerWaalsContact O-CB 3.27Å; I521-L524 WeakPolarHBondContact O-CB 3.37Å; I521-L524 WeakPolarHBondContact O-CG 3.48Å; I521-L524 PolarHBondContact O-N 2.79Å; I521-L524 VanDerWaalsContact O-N 3.1Å; I521-L543 HydrophobicContact CG1-CD1 4.36Å; I521-I561 HydrophobicContact CD1-CG2 4.28Å; I521-E564 HydrophobicContact CD1-CB 3.84Å; I521-E564 HydrophobicContact CG2-CB 4.04Å; I521-L565 HydrophobicContact CG2-CD2 3.97Å; I521-L565 HydrophobicContact CG2-CG 4.49Å; I521-F568 HydrophobicContact CG2-CD2 4.36Å
522S93.3Very high89.8Confident39 Ų3946.6 Ų46.627%0.27325%0.245SC..Hα-helixtrans-62.8-28.5176.378.50000112.9T518 K519 L520 L524 I525 F526T518-S522 WeakPolarHBondContact O-CB 3.35Å; T518-S522 PolarHBondContact O-N 2.92Å; K519-S522 PolarHBondContact O-N 3.41Å; K519-S522 VanDerWaalsContact O-N 3.16Å; K519-S522 PolarHBondContact O-OG 3.16Å; L520-S522 VanDerWaalsContact C-N 3.35Å; L520-S522 PolarHBondContact O-N 2.92Å; S522-L524 PolarHBondContact O-N 2.9Å; S522-I525 PolarHBondContact O-N 3.09Å; S522-F526 PolarHBondContact O-N 3.12Å
523L94.5Very high89.7Confident0 Ų049.2 Ų49.20%026%0.255CS..G310 helixtrans-71.2-14.1177-69.8175.2000113.4I482 L486 L492 L496 K519 L520 I521 I525 F526 N536 V539I482-L523 HydrophobicContact CG2-CD1 4.23Å; L486-L523 HydrophobicContact CD2-CD2 3.93Å; L492-L523 HydrophobicContact CD2-CD2 4.46Å; L496-L523 HydrophobicContact CD2-CD1 4.01Å; K519-L523 PolarHBondContact O-N 3.4Å; K519-L523 VanDerWaalsContact O-N 3.14Å; L520-L523 WeakPolarHBondContact O-CB 3.47Å; L520-L523 PolarHBondContact O-N 2.87Å; L520-L523 VanDerWaalsContact O-N 3.17Å; I521-L523 PolarHBondContact O-N 3.08Å; L523-I525 PolarHBondContact O-N 3.19Å; L523-F526 HydrophobicContact CD2-CB 4.11Å; L523-F526 HydrophobicContact CD2-CD2 4.31Å; L523-F526 HydrophobicContact CD2-CG 4.13Å; L523-N536 PolarHBondContact O-ND2 3.5Å; L523-V539 HydrophobicContact CB-CB 4.45Å; L523-V539 HydrophobicContact CB-CG1 4.03Å; L523-V539 HydrophobicContact CB-CG2 4.27Å
524L93Very high89.5Confident3 Ų353.6 Ų53.62%0.01628%0.284CS..G310 helixtrans-66.3-24.3176.1-65.5166.5000113.1I521 S522 N536 V539 L543 L565 L572 I576 M580I521-L524 HydrophobicContact CB-CD1 4.47Å; I521-L524 HydrophobicContact CG2-CD1 4.21Å; I521-L524 VanDerWaalsContact O-CB 3.27Å; I521-L524 WeakPolarHBondContact O-CB 3.37Å; I521-L524 WeakPolarHBondContact O-CG 3.48Å; I521-L524 PolarHBondContact O-N 2.79Å; I521-L524 VanDerWaalsContact O-N 3.1Å; S522-L524 PolarHBondContact O-N 2.9Å; L524-N536 WeakPolarHBondContact O-CB 3.43Å; L524-V539 HydrophobicContact CD2-CG1 3.71Å; L524-V539 HydrophobicContact CG-CG1 4.19Å; L524-L543 HydrophobicContact CD1-CD1 4.03Å; L524-L543 HydrophobicContact CD2-CD1 4.21Å; L524-L543 HydrophobicContact CG-CD1 4.34Å; L524-L565 HydrophobicContact CD1-CD2 3.88Å; L524-L572 HydrophobicContact CB-CD2 3.98Å; L524-I576 HydrophobicContact CB-CG2 4.33Å; L524-I576 HydrophobicContact CD2-CG2 3.81Å; L524-M580 HydrophobicContact CD1-CE 4.49Å; L524-M580 HydrophobicContact CD1-CG 4.18Å; L524-M580 HydrophobicContact CD1-SD 3.52Å; L524-M580 VanDerWaalsContact CD1-SD 3.52Å; L524-M580 HydrophobicContact CD2-CE 4.22Å; L524-M580 HydrophobicContact CD2-SD 4.28Å
525I88.9Confident89.5Confident42 Ų4251.7 Ų51.722%0.21527%0.272CS..G310 helixtrans-127.316.9-178.459.6157.5000112.6S522 L523 D527 G528 F568 K571 L572S522-I525 PolarHBondContact O-N 3.09Å; L523-I525 PolarHBondContact O-N 3.19Å; I525-D527 PolarHBondContact O-N 3.37Å; I525-G528 PolarHBondContact O-N 2.91Å; I525-F568 HydrophobicContact CD1-CB 4.09Å; I525-F568 HydrophobicContact CD1-CD1 3.17Å; I525-F568 HydrophobicContact CD1-CD2 4.5Å; I525-F568 HydrophobicContact CD1-CE1 3.62Å; I525-F568 HydrophobicContact CD1-CG 3.67Å; I525-F568 HydrophobicContact CD1-CZ 4.44Å; I525-F568 HydrophobicContact CG1-CD1 4.32Å; I525-F568 HydrophobicContact CG1-CG 4.44Å; I525-K571 HydrophobicContact CG2-CB 4.43Å; I525-L572 HydrophobicContact CG2-CD2 3.56Å
526F85.5Confident89.4Confident61 Ų6147.7 Ų47.727%0.26825%0.253SS..SBendtrans-63128.6-173.3-172.3-100.3000111.3L486 S522 L523 G528 Y532 N536L486-F526 HydrophobicContact CB-CZ 4.21Å; L486-F526 HydrophobicContact CD2-CZ 4.5Å; S522-F526 PolarHBondContact O-N 3.12Å; L523-F526 HydrophobicContact CD2-CB 4.11Å; L523-F526 HydrophobicContact CD2-CD2 4.31Å; L523-F526 HydrophobicContact CD2-CG 4.13Å; F526-G528 PolarHBondContact O-N 3.06Å; F526-Y532 AromaticContact CD1-CD1 3.65Å; F526-Y532 HydrophobicContact CD1-CD1 3.65Å; F526-Y532 HydrophobicContact CD1-CD2 4.35Å; F526-Y532 AromaticContact CD1-CE1 3.72Å; F526-Y532 HydrophobicContact CD1-CE1 3.72Å; F526-Y532 HydrophobicContact CD1-CE2 4.39Å; F526-Y532 AromaticContact CD1-CG 3.98Å; F526-Y532 HydrophobicContact CD1-CG 3.98Å; F526-Y532 HydrophobicContact CE1-CD1 4.07Å; F526-Y532 AromaticContact CE1-CE1 3.62Å; F526-Y532 HydrophobicContact CE1-CE1 3.62Å; F526-Y532 HydrophobicContact CE1-CE2 4.25Å; F526-Y532 AromaticContact CE1-CZ 3.71Å; F526-N536 PolarHBondContact N-ND2 3.15Å
527D80.9Confident89.3Confident106 Ų10649.6 Ų49.657%0.56726%0.263SS*.SBendtrans61.2-21.3-176.9-161.846.4000116.1I525 S529 Y532I525-D527 PolarHBondContact O-N 3.37Å; D527-S529 PolarHBondContact O-N 3.31Å; D527-S529 VanDerWaalsContact OD2-CB 3.3Å; D527-S529 WeakPolarHBondContact OD2-CB 3.43Å; D527-S529 PolarHBondContact OD2-OG 2.86Å; D527-Y532 HydrophobicContact CB-CD2 3.44Å; D527-Y532 VanDerWaalsContact CB-CD2 3.44Å; D527-Y532 HydrophobicContact CB-CE2 3.72Å; D527-Y532 HydrophobicContact CB-CG 4.19Å; D527-Y532 WeakPolarHBondContact OD2-CD2 3.45Å; D527-Y532 WeakPolarHBondContact OD2-CE2 3.29Å
528G73.6Confident89.2Confident69 Ų6951.1 Ų51.171%0.71127%0.27SS*.  trans60.38.2-18000000114.4I525 F526I525-G528 PolarHBondContact O-N 2.91Å; F526-G528 PolarHBondContact O-N 3.06Å
529S81.5Confident89.3Confident39 Ų3948.8 Ų48.827%0.27326%0.256SS..SBendtrans-95.5155.3-17876.50000110.8D527 R531 Y532D527-S529 PolarHBondContact O-N 3.31Å; D527-S529 VanDerWaalsContact OD2-CB 3.3Å; D527-S529 WeakPolarHBondContact OD2-CB 3.43Å; D527-S529 PolarHBondContact OD2-OG 2.86Å; S529-R531 PolarHBondContact O-N 3.05Å; S529-R531 WeakPolarHBondContact OG-CB 3.27Å; S529-Y532 PolarHBondContact O-N 2.85Å; S529-Y532 VanDerWaalsContact O-N 3.11Å
530E80.5Confident89.3Confident137 Ų13746.8 Ų46.864%0.6425%0.248SC*.G310 helixtrans-58.4-23.6177.5-163.465.1-167.200112.2Y532 R533E530-Y532 VanDerWaalsContact C-N 3.28Å; E530-Y532 PolarHBondContact O-N 3.42Å; E530-R533 WeakPolarHBondContact O-CB 2.98Å; E530-R533 PolarHBondContact O-N 3.39Å; E530-R533 WeakPolarHBondContact OE1-CD 3.49Å; E530-R533 IonicContact OE1-CZ 3.59Å; E530-R533 IonicContact OE1-NE 2.77Å; E530-R533 IonicContact OE1-NH1 3.52Å; E530-R533 PolarHBondContact OE1-NH1 2.92Å; E530-R533 IonicContact OE2-NH1 3.51Å
531R86.4Confident89.3Confident149 Ų14950.7 Ų50.756%0.56227%0.265SS*.G310 helixtrans-60.3-33.8178-177.2176.4-178.4-154.6-7.7113S487 P489 S529S487-R531 PolarHBondContact O-NH2 2.89Å; P489-R531 HydrophobicContact CG-CG 4.05Å; S529-R531 PolarHBondContact O-N 3.05Å; S529-R531 WeakPolarHBondContact OG-CB 3.27Å
532Y89.9Confident89.2Confident14 Ų1451.5 Ų51.56%0.05527%0.269CS..G310 helixtrans-102.14.6-178.3-71.4-88.4000113.5L486 P489 F526 D527 S529 E530 C534 V535 N536L486-Y532 WeakPolarHBondContact O-CE1 3.41Å; L486-Y532 PolarHBondContact O-OH 2.97Å; P489-Y532 HydrophobicContact CB-CD1 3.98Å; P489-Y532 HydrophobicContact CB-CE1 4Å; F526-Y532 AromaticContact CD1-CD1 3.65Å; F526-Y532 HydrophobicContact CD1-CD1 3.65Å; F526-Y532 HydrophobicContact CD1-CD2 4.35Å; F526-Y532 AromaticContact CD1-CE1 3.72Å; F526-Y532 HydrophobicContact CD1-CE1 3.72Å; F526-Y532 HydrophobicContact CD1-CE2 4.39Å; F526-Y532 AromaticContact CD1-CG 3.98Å; F526-Y532 HydrophobicContact CD1-CG 3.98Å; F526-Y532 HydrophobicContact CE1-CD1 4.07Å; F526-Y532 AromaticContact CE1-CE1 3.62Å; F526-Y532 HydrophobicContact CE1-CE1 3.62Å; F526-Y532 HydrophobicContact CE1-CE2 4.25Å; F526-Y532 AromaticContact CE1-CZ 3.71Å; D527-Y532 HydrophobicContact CB-CD2 3.44Å; D527-Y532 VanDerWaalsContact CB-CD2 3.44Å; D527-Y532 HydrophobicContact CB-CE2 3.72Å; D527-Y532 HydrophobicContact CB-CG 4.19Å; D527-Y532 WeakPolarHBondContact OD2-CD2 3.45Å; D527-Y532 WeakPolarHBondContact OD2-CE2 3.29Å; S529-Y532 PolarHBondContact O-N 2.85Å; S529-Y532 VanDerWaalsContact O-N 3.11Å; E530-Y532 VanDerWaalsContact C-N 3.28Å; E530-Y532 PolarHBondContact O-N 3.42Å; Y532-C534 VanDerWaalsContact C-N 3.29Å; Y532-C534 PolarHBondContact O-N 2.9Å; Y532-V535 HydrophobicContact CD1-CB 4.47Å; Y532-V535 HydrophobicContact CD1-CG2 4.18Å; Y532-V535 WeakPolarHBondContact O-CA 3.49Å; Y532-V535 WeakPolarHBondContact O-CB 3.3Å; Y532-V535 PolarHBondContact O-N 3.33Å; Y532-N536 PolarHBondContact O-N 3.49Å; Y532-N536 PolarHBondContact O-OD1 2.96Å; Y532-N536 VanDerWaalsContact O-OD1 3.12Å
533R88.7Confident89.3Confident130 Ų13050.3 Ų50.349%0.49126%0.26SS..Hα-helixtrans-54.2-44.6-177.5-179.7178.1175.7160.51.4112.7E530 V535 N536 I537E530-R533 WeakPolarHBondContact O-CB 2.98Å; E530-R533 PolarHBondContact O-N 3.39Å; E530-R533 WeakPolarHBondContact OE1-CD 3.49Å; E530-R533 IonicContact OE1-CZ 3.59Å; E530-R533 IonicContact OE1-NE 2.77Å; E530-R533 IonicContact OE1-NH1 3.52Å; E530-R533 PolarHBondContact OE1-NH1 2.92Å; E530-R533 IonicContact OE2-NH1 3.51Å; R533-V535 VanDerWaalsContact C-N 3.32Å; R533-V535 PolarHBondContact O-N 3.24Å; R533-N536 PolarHBondContact O-N 2.95Å; R533-I537 HydrophobicContact CG-CD1 3.83Å; R533-I537 HydrophobicContact CG-CG1 4.48Å; R533-I537 VanDerWaalsContact O-CG1 3.31Å; R533-I537 WeakPolarHBondContact O-CG1 3.46Å; R533-I537 PolarHBondContact O-N 2.87Å
534C88.2Confident89.2Confident91 Ų9151.9 Ų51.962%0.61527%0.269SS*.Hα-helixtrans-61.4-41.3177.5-63.30000111.7Y532 H538Y532-C534 VanDerWaalsContact C-N 3.29Å; Y532-C534 PolarHBondContact O-N 2.9Å; C534-H538 WeakPolarHBondContact O-CB 3.42Å; C534-H538 PolarHBondContact O-N 3.49Å
535V93.3Very high89.1Confident1 Ų155.2 Ų55.21%0.00628%0.284CS..Hα-helixtrans-62.8-48.1175.4178.20000110.5P489 L492 T493 L496 Y532 R533 I537 H538 V539P489-V535 HydrophobicContact CB-CG2 3.81Å; P489-V535 WeakPolarHBondContact O-CG2 3.14Å; L492-V535 HydrophobicContact CB-CG2 4.41Å; L492-V535 HydrophobicContact CD2-CG1 3.68Å; L492-V535 HydrophobicContact CD2-CG2 4.11Å; L492-V535 HydrophobicContact CG-CG1 4.04Å; L492-V535 HydrophobicContact CG-CG2 4.36Å; T493-V535 WeakPolarHBondContact OG1-CG2 3.45Å; L496-V535 HydrophobicContact CD1-CG1 3.87Å; Y532-V535 HydrophobicContact CD1-CB 4.47Å; Y532-V535 HydrophobicContact CD1-CG2 4.18Å; Y532-V535 WeakPolarHBondContact O-CA 3.49Å; Y532-V535 WeakPolarHBondContact O-CB 3.3Å; Y532-V535 PolarHBondContact O-N 3.33Å; R533-V535 VanDerWaalsContact C-N 3.32Å; R533-V535 PolarHBondContact O-N 3.24Å; V535-I537 VanDerWaalsContact C-N 3.34Å; V535-I537 PolarHBondContact O-N 3.43Å; V535-H538 PolarHBondContact O-N 2.97Å; V535-V539 WeakPolarHBondContact O-CG1 3.45Å; V535-V539 PolarHBondContact O-N 2.66Å
536N93.3Very high89.3Confident15 Ų1553.3 Ų53.38%0.0827%0.274CS..Hα-helixtrans-61.4-42.9-178.3-52.8140.8000111.5L523 L524 F526 Y532 R533 V539 S540 I576L523-N536 PolarHBondContact O-ND2 3.5Å; L524-N536 WeakPolarHBondContact O-CB 3.43Å; F526-N536 PolarHBondContact N-ND2 3.15Å; Y532-N536 PolarHBondContact O-N 3.49Å; Y532-N536 PolarHBondContact O-OD1 2.96Å; Y532-N536 VanDerWaalsContact O-OD1 3.12Å; R533-N536 PolarHBondContact O-N 2.95Å; N536-V539 WeakPolarHBondContact O-CG1 3.49Å; N536-S540 PolarHBondContact O-N 3.03Å; N536-I576 HydrophobicContact CB-CD1 3.77Å
537I91.1Very high89.6Confident44 Ų4450.5 Ų50.523%0.22626%0.262CS..Hα-helixtrans-67.1-47.6176-66.8170.8000109.7R533 V535 V539 S540 H541R533-I537 HydrophobicContact CG-CD1 3.83Å; R533-I537 HydrophobicContact CG-CG1 4.48Å; R533-I537 VanDerWaalsContact O-CG1 3.31Å; R533-I537 WeakPolarHBondContact O-CG1 3.46Å; R533-I537 PolarHBondContact O-N 2.87Å; V535-I537 VanDerWaalsContact C-N 3.34Å; V535-I537 PolarHBondContact O-N 3.43Å; I537-V539 PolarHBondContact O-N 3.17Å; I537-S540 WeakPolarHBondContact O-CB 3.33Å; I537-S540 PolarHBondContact O-N 3.35Å; I537-S540 VanDerWaalsContact O-N 3.11Å; I537-S540 PolarHBondContact O-OG 2.97Å; I537-H541 VanDerWaalsContact CG2-CE1 3.49Å; I537-H541 WeakPolarHBondContact CG2-CE1 3.38Å; I537-H541 PolarHBondContact O-N 3.12Å; I537-H541 VanDerWaalsContact O-N 3.1Å
538H93.3Very high89.9Confident35 Ų3547.4 Ų47.416%0.16225%0.249CC..Hα-helixtrans-61.4-45.8-177.6-172.880000112.2T493 S497 C534 V535 S540 H541 Q542T493-H538 HydrophobicContact CG2-CB 3.88Å; T493-H538 PolarHBondContact O-CD2 2.92Å; T493-H538 PolarHBondContact O-NE2 3.44Å; S497-H538 PolarHBondContact OG-CE1 2.95Å; S497-H538 PolarHBondContact OG-NE2 2.93Å; C534-H538 WeakPolarHBondContact O-CB 3.42Å; C534-H538 PolarHBondContact O-N 3.49Å; V535-H538 PolarHBondContact O-N 2.97Å; H538-S540 VanDerWaalsContact C-N 3.26Å; H538-S540 PolarHBondContact O-N 3.13Å; H538-H541 PolarHBondContact O-N 3.06Å; H538-H541 VanDerWaalsContact O-N 3.17Å; H538-Q542 PolarHBondContact CE1-NE2 2.96Å; H538-Q542 PolarHBondContact NE2-NE2 3.33Å; H538-Q542 VanDerWaalsContact NE2-NE2 3.1Å; H538-Q542 WeakPolarHBondContact O-CG 3.34Å; H538-Q542 PolarHBondContact O-N 2.9Å
539V95.4Very high90.5Very high0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-63.8-32.7176.571.10000112.1L496 L520 L523 L524 V535 N536 I537 Q542 L543L496-V539 HydrophobicContact CD1-CB 4.19Å; L496-V539 HydrophobicContact CD2-CG2 4.29Å; L520-V539 HydrophobicContact CB-CG2 4.2Å; L520-V539 HydrophobicContact CD2-CG2 4.08Å; L520-V539 WeakPolarHBondContact O-CG2 3.48Å; L523-V539 HydrophobicContact CB-CB 4.45Å; L523-V539 HydrophobicContact CB-CG1 4.03Å; L523-V539 HydrophobicContact CB-CG2 4.27Å; L524-V539 HydrophobicContact CD2-CG1 3.71Å; L524-V539 HydrophobicContact CG-CG1 4.19Å; V535-V539 WeakPolarHBondContact O-CG1 3.45Å; V535-V539 PolarHBondContact O-N 2.66Å; N536-V539 WeakPolarHBondContact O-CG1 3.49Å; I537-V539 PolarHBondContact O-N 3.17Å; V539-Q542 PolarHBondContact O-N 3.49Å; V539-L543 WeakPolarHBondContact O-CG 3.36Å; V539-L543 PolarHBondContact O-N 3.27Å
540S94.6Very high90.8Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-62.9-43.2174.279.60000111.7N536 I537 H538 L543 V544 N579N536-S540 PolarHBondContact O-N 3.03Å; I537-S540 WeakPolarHBondContact O-CB 3.33Å; I537-S540 PolarHBondContact O-N 3.35Å; I537-S540 VanDerWaalsContact O-N 3.11Å; I537-S540 PolarHBondContact O-OG 2.97Å; H538-S540 VanDerWaalsContact C-N 3.26Å; H538-S540 PolarHBondContact O-N 3.13Å; S540-L543 PolarHBondContact O-N 3.47Å; S540-V544 WeakPolarHBondContact O-CG2 3.3Å; S540-V544 PolarHBondContact O-N 3.48Å; S540-V544 VanDerWaalsContact O-N 3.1Å; S540-N579 PolarHBondContact OG-ND2 3.11Å
541H94.3Very high91.2Very high85 Ų8542.2 Ų42.239%0.39420%0.203SC..Hα-helixtrans-66.4-37.9174.1-61.9154.1000112.5I537 H538 L543 V544 K545 H575 N579I537-H541 VanDerWaalsContact CG2-CE1 3.49Å; I537-H541 WeakPolarHBondContact CG2-CE1 3.38Å; I537-H541 PolarHBondContact O-N 3.12Å; I537-H541 VanDerWaalsContact O-N 3.1Å; H538-H541 PolarHBondContact O-N 3.06Å; H538-H541 VanDerWaalsContact O-N 3.17Å; H541-L543 VanDerWaalsContact C-N 3.33Å; H541-L543 PolarHBondContact O-N 3.28Å; H541-V544 PolarHBondContact O-N 3.04Å; H541-K545 PolarHBondContact O-N 3.13Å; H541-H575 AromaticContact NE2-CE1 3.82Å; H541-H575 AromaticContact NE2-NE2 3.39Å; H541-H575 PolarHBondContact NE2-NE2 3.16Å; H541-N579 PolarHBondContact CD2-ND2 3.33Å; H541-N579 PolarHBondContact NE2-ND2 3.13Å
542Q93Very high91.2Very high22 Ų2240.5 Ų40.510%0.10321%0.209CC..Hα-helixtrans-61.3-42.2174.9-64.2-52.9-51.400111.2T500 H538 V539 K545 L546T500-Q542 HydrophobicContact CG2-CB 4.27Å; T500-Q542 PolarHBondContact OG1-OE1 3.45Å; H538-Q542 PolarHBondContact CE1-NE2 2.96Å; H538-Q542 PolarHBondContact NE2-NE2 3.33Å; H538-Q542 VanDerWaalsContact NE2-NE2 3.1Å; H538-Q542 WeakPolarHBondContact O-CG 3.34Å; H538-Q542 PolarHBondContact O-N 2.9Å; V539-Q542 PolarHBondContact O-N 3.49Å; Q542-K545 PolarHBondContact O-N 3.13Å; Q542-L546 WeakPolarHBondContact O-CB 3.45Å; Q542-L546 VanDerWaalsContact O-CG 3.28Å; Q542-L546 WeakPolarHBondContact O-CG 3.45Å; Q542-L546 PolarHBondContact O-N 3.39Å
543L95.1Very high91.3Very high13 Ų1340.3 Ų40.37%0.06821%0.209CC..Hα-helixtrans-64.7-39.2176.5-72.9174000112.3L520 I521 L524 V539 S540 H541 L546 S547 M580 V583L520-L543 HydrophobicContact CB-CD2 4.18Å; L520-L543 HydrophobicContact CD1-CD2 4.31Å; I521-L543 HydrophobicContact CG1-CD1 4.36Å; L524-L543 HydrophobicContact CD1-CD1 4.03Å; L524-L543 HydrophobicContact CD2-CD1 4.21Å; L524-L543 HydrophobicContact CG-CD1 4.34Å; V539-L543 WeakPolarHBondContact O-CG 3.36Å; V539-L543 PolarHBondContact O-N 3.27Å; S540-L543 PolarHBondContact O-N 3.47Å; H541-L543 VanDerWaalsContact C-N 3.33Å; H541-L543 PolarHBondContact O-N 3.28Å; L543-L546 PolarHBondContact O-N 3.36Å; L543-S547 WeakPolarHBondContact O-CB 2.87Å; L543-S547 PolarHBondContact O-N 3.2Å; L543-M580 HydrophobicContact CB-CE 4.04Å; L543-M580 HydrophobicContact CD1-CE 4.04Å; L543-M580 HydrophobicContact CD1-SD 4.01Å; L543-V583 HydrophobicContact CB-CG2 4.08Å
544V93.4Very high91.5Very high34 Ų3434.4 Ų34.421%0.20619%0.187CC..Hα-helixtrans-58.4-51.6172.3173.70000110.3S540 H541 L546 S547 S548 N579 D582 V583S540-V544 WeakPolarHBondContact O-CG2 3.3Å; S540-V544 PolarHBondContact O-N 3.48Å; S540-V544 VanDerWaalsContact O-N 3.1Å; H541-V544 PolarHBondContact O-N 3.04Å; V544-L546 VanDerWaalsContact C-N 3.32Å; V544-L546 PolarHBondContact O-N 3.07Å; V544-S547 PolarHBondContact O-N 2.89Å; V544-S547 VanDerWaalsContact O-N 3.08Å; V544-S547 PolarHBondContact O-OG 3.32Å; V544-S548 PolarHBondContact O-N 3.39Å; V544-N579 HydrophobicContact CG2-CB 3.87Å; V544-N579 WeakPolarHBondContact CG2-O 3.34Å; V544-D582 HydrophobicContact CG2-CB 4.42Å; V544-V583 HydrophobicContact CB-CG2 4.4Å; V544-V583 HydrophobicContact CG2-CG2 3.87Å
545K91Very high91.7Very high73 Ų7332.2 Ų32.232%0.31717%0.17SC..Hα-helixtrans-59.5-39.6177.6-174.8170.5-177.2174.10112.6E454 T500 H541 Q542 S548 T549E454-K545 IonicContact OE1-NZ 3.58Å; E454-K545 PolarHBondContact OE1-NZ 3.17Å; T500-K545 HydrophobicContact CG2-CB 4.11Å; T500-K545 HydrophobicContact CG2-CD 4.04Å; T500-K545 HydrophobicContact CG2-CG 4.09Å; H541-K545 PolarHBondContact O-N 3.13Å; Q542-K545 PolarHBondContact O-N 3.13Å; K545-S548 PolarHBondContact O-OG 3.12Å; K545-S548 VanDerWaalsContact O-OG 3.06Å; K545-T549 VanDerWaalsContact O-CB 3.29Å; K545-T549 WeakPolarHBondContact O-CB 3.36Å; K545-T549 PolarHBondContact O-N 3.33Å; K545-T549 PolarHBondContact O-OG1 2.89Å
546L92.9Very high91.6Very high2 Ų236.4 Ų36.41%0.0120%0.197CC..Hα-helixtrans-66.8-36.7175.6-71.5177.2000112.3V499 T500 F503 L520 Q542 L543 V544 S548 C550 L554V499-L546 HydrophobicContact CG1-CD1 4.45Å; T500-L546 HydrophobicContact CG2-CD2 3.85Å; T500-L546 HydrophobicContact CG2-CG 3.85Å; F503-L546 HydrophobicContact CB-CD2 3.63Å; F503-L546 HydrophobicContact CD1-CD2 3.81Å; F503-L546 HydrophobicContact CD2-CD1 4.24Å; F503-L546 HydrophobicContact CD2-CD2 4.49Å; F503-L546 HydrophobicContact CE2-CD1 4.44Å; F503-L546 HydrophobicContact CG-CD1 4.26Å; F503-L546 HydrophobicContact CG-CD2 3.74Å; L520-L546 HydrophobicContact CD1-CD1 4.36Å; Q542-L546 WeakPolarHBondContact O-CB 3.45Å; Q542-L546 VanDerWaalsContact O-CG 3.28Å; Q542-L546 WeakPolarHBondContact O-CG 3.45Å; Q542-L546 PolarHBondContact O-N 3.39Å; L543-L546 PolarHBondContact O-N 3.36Å; V544-L546 VanDerWaalsContact C-N 3.32Å; V544-L546 PolarHBondContact O-N 3.07Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.03Å; L546-C550 WeakPolarHBondContact O-CA 3.39Å; L546-C550 WeakPolarHBondContact O-CB 3.5Å; L546-C550 PolarHBondContact O-N 3.44Å; L546-L554 HydrophobicContact CB-CD1 4.17Å; L546-L554 WeakPolarHBondContact O-CD1 3.49Å
547S92.1Very high91.7Very high1 Ų137.1 Ų37.11%0.00720%0.2CC..Hα-helixtrans-63.9-38.3-179.873.30000112.9L543 V544L543-S547 WeakPolarHBondContact O-CB 2.87Å; L543-S547 PolarHBondContact O-N 3.2Å; V544-S547 PolarHBondContact O-N 2.89Å; V544-S547 VanDerWaalsContact O-N 3.08Å; V544-S547 PolarHBondContact O-OG 3.32Å
548S86.9Confident91.8Very high42 Ų4235.2 Ų35.229%0.29419%0.189SC..Hα-helixtrans-78.3-42.5176.560.60000112.3V544 K545 L546V544-S548 PolarHBondContact O-N 3.39Å; K545-S548 PolarHBondContact O-OG 3.12Å; K545-S548 VanDerWaalsContact O-OG 3.06Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.03Å
549T85.9Confident91.8Very high68 Ų6839.3 Ų39.342%0.41721%0.213SC..Hα-helixtrans-80.4-34.1-174.4-47.90000113L457 P504 K545L457-T549 HydrophobicContact CD1-CG2 4.12Å; P504-T549 HydrophobicContact CB-CG2 4.45Å; P504-T549 HydrophobicContact CG-CG2 4.1Å; K545-T549 VanDerWaalsContact O-CB 3.29Å; K545-T549 WeakPolarHBondContact O-CB 3.36Å; K545-T549 PolarHBondContact O-N 3.33Å; K545-T549 PolarHBondContact O-OG1 2.89Å
550C88.8Confident91.7Very high1 Ų142 Ų421%0.00723%0.225CC..SBendtrans-117.127.8-169.9-55.10000112.7F503 P504 L546 T552 I553 L554F503-C550 HydrophobicContact CD1-CB 4.25Å; F503-C550 HydrophobicContact CE1-CB 4.45Å; P504-C550 VanDerWaalsContact CA-SG 3.54Å; P504-C550 VanDerWaalsContact CG-SG 3.53Å; L546-C550 WeakPolarHBondContact O-CA 3.39Å; L546-C550 WeakPolarHBondContact O-CB 3.5Å; L546-C550 PolarHBondContact O-N 3.44Å; C550-T552 VanDerWaalsContact C-N 3.26Å; C550-T552 PolarHBondContact O-N 3.39Å; C550-T552 VanDerWaalsContact O-N 3.17Å; C550-I553 HydrophobicContact CB-CB 4.28Å; C550-I553 HydrophobicContact CB-CD1 4.25Å; C550-I553 WeakPolarHBondContact O-CB 3.46Å; C550-I553 PolarHBondContact O-N 3.25Å; C550-L554 HydrophobicContact CB-CD1 4.28Å; C550-L554 HydrophobicContact CB-CG 4.25Å; C550-L554 WeakPolarHBondContact O-CG 3.29Å; C550-L554 PolarHBondContact O-N 3.36Å
551R87.9Confident91.7Very high67 Ų6742.5 Ų42.525%0.25323%0.228SC..Hα-helixtrans-50.6-45-174.6-165.9-171.4-63178.32.2112.6I553 L554 L555 E586 L587R551-I553 VanDerWaalsContact C-N 3.32Å; R551-I553 PolarHBondContact O-N 3.12Å; R551-L554 PolarHBondContact O-N 2.97Å; R551-L555 VanDerWaalsContact O-CB 3.25Å; R551-L555 WeakPolarHBondContact O-CB 3.38Å; R551-L555 PolarHBondContact O-N 2.58Å; R551-E586 IonicContact CZ-OE1 3.22Å; R551-E586 PolarHBondContact NE-O 2.91Å; R551-E586 IonicContact NE-OE1 2.81Å; R551-E586 IonicContact NH2-OE1 3.61Å; R551-E586 PolarHBondContact NH2-OE1 3.49Å; R551-L587 HydrophobicContact CG-CD2 4.14Å
552T86.7Confident91.6Very high112 Ų11239.6 Ų39.669%0.68721%0.213SC*.Hα-helixtrans-65-32.2179.952.90000113.6C550 P556C550-T552 VanDerWaalsContact C-N 3.26Å; C550-T552 PolarHBondContact O-N 3.39Å; C550-T552 VanDerWaalsContact O-N 3.17Å; T552-P556 WeakPolarHBondContact O-CD 3.47Å
553I90.6Very high91.6Very high11 Ų1141.3 Ų41.36%0.05623%0.228CC..Hα-helixtrans-77.7-38.7178.7-61.9167.9000110.5F503 P504 Q506 L513 C550 R551 P556 H557F503-I553 HydrophobicContact CE1-CG2 4.12Å; P504-I553 VanDerWaalsContact O-CD1 3.3Å; P504-I553 WeakPolarHBondContact O-CD1 3.26Å; Q506-I553 WeakPolarHBondContact O-CD1 3.46Å; Q506-I553 WeakPolarHBondContact O-CG1 3.49Å; L513-I553 HydrophobicContact CD2-CG2 3.63Å; C550-I553 HydrophobicContact CB-CB 4.28Å; C550-I553 HydrophobicContact CB-CD1 4.25Å; C550-I553 WeakPolarHBondContact O-CB 3.46Å; C550-I553 PolarHBondContact O-N 3.25Å; R551-I553 VanDerWaalsContact C-N 3.32Å; R551-I553 PolarHBondContact O-N 3.12Å; I553-P556 WeakPolarHBondContact O-CD 3.37Å; I553-H557 PolarHBondContact O-CD2 3.1Å
554L94Very high91.4Very high5 Ų541.8 Ų41.83%0.02623%0.23CC..Hα-helixtrans-83.3-28.2-175.8-66.7177.4000113.5F503 L517 L546 C550 R551 H557 F558 I561 L587F503-L554 HydrophobicContact CE1-CD2 3.65Å; F503-L554 HydrophobicContact CE1-CG 4.29Å; F503-L554 HydrophobicContact CZ-CD2 3.74Å; L517-L554 HydrophobicContact CD1-CD2 4.1Å; L517-L554 HydrophobicContact CD2-CD2 3.68Å; L517-L554 HydrophobicContact CG-CD2 4.46Å; L546-L554 HydrophobicContact CB-CD1 4.17Å; L546-L554 WeakPolarHBondContact O-CD1 3.49Å; C550-L554 HydrophobicContact CB-CD1 4.28Å; C550-L554 HydrophobicContact CB-CG 4.25Å; C550-L554 WeakPolarHBondContact O-CG 3.29Å; C550-L554 PolarHBondContact O-N 3.36Å; R551-L554 PolarHBondContact O-N 2.97Å; L554-H557 CarbonylContact O-C 3.25Å; L554-H557 WeakPolarHBondContact O-CA 3.45Å; L554-H557 PolarHBondContact O-N 2.94Å; L554-F558 PolarHBondContact O-N 3.15Å; L554-I561 HydrophobicContact CB-CD1 4.39Å; L554-I561 HydrophobicContact CD2-CD1 4.37Å; L554-L587 HydrophobicContact CB-CD1 4.31Å; L554-L587 HydrophobicContact CB-CD2 3.66Å; L554-L587 HydrophobicContact CD1-CD2 4.06Å
555L92Very high91.3Very high46 Ų4640.7 Ų40.724%0.24122%0.223CC..G310 helixtrans-55.1-43.2-175.3-173.368.3000114R551 H557 F558 L587 G590 L591R551-L555 VanDerWaalsContact O-CB 3.25Å; R551-L555 WeakPolarHBondContact O-CB 3.38Å; R551-L555 PolarHBondContact O-N 2.58Å; L555-H557 PolarHBondContact O-N 2.77Å; L555-H557 VanDerWaalsContact O-N 3.1Å; L555-F558 VanDerWaalsContact O-CB 3.26Å; L555-F558 WeakPolarHBondContact O-CB 3.18Å; L555-F558 PolarHBondContact O-N 3.08Å; L555-L587 WeakPolarHBondContact CD1-O 3.39Å; L555-G590 WeakPolarHBondContact CD2-O 3.09Å; L555-L591 HydrophobicContact CD1-CD2 3.64Å; L555-L591 HydrophobicContact CD1-CG 3.9Å; L555-L591 HydrophobicContact CG-CD2 4.45Å
556P92.5Very high91.2Very high89 Ų8944.5 Ų44.558%0.57824%0.235SC*.G310 helixtrans-62.7-17.3175.9-24.737.4000114.3P508 T552 I553P508-P556 HydrophobicContact CB-CG 4.03Å; T552-P556 WeakPolarHBondContact O-CD 3.47Å; I553-P556 WeakPolarHBondContact O-CD 3.37Å
557H93.8Very high91Very high30 Ų3050 Ų5014%0.13926%0.259CS..G310 helixtrans-104.910.5179.6-57.4-77.1000112.2P508 L517 I553 L554 L555 D559 H560 I561P508-H557 PolarHBondContact O-NE2 3.4Å; L517-H557 HydrophobicContact CD1-CB 3.87Å; I553-H557 PolarHBondContact O-CD2 3.1Å; L554-H557 CarbonylContact O-C 3.25Å; L554-H557 WeakPolarHBondContact O-CA 3.45Å; L554-H557 PolarHBondContact O-N 2.94Å; L555-H557 PolarHBondContact O-N 2.77Å; L555-H557 VanDerWaalsContact O-N 3.1Å; H557-D559 PolarHBondContact O-N 3.31Å; H557-H560 WeakPolarHBondContact O-CB 3.36Å; H557-H560 PolarHBondContact O-N 2.97Å; H557-H560 VanDerWaalsContact O-N 3.09Å; H557-I561 WeakPolarHBondContact O-CG1 3.28Å; H557-I561 PolarHBondContact O-N 3.37Å
558F93.8Very high90.5Very high3 Ų352.4 Ų52.41%0.01327%0.269CS..Hα-helixtrans-54.4-48.4-176.7178.6-89.6000112.5L554 L555 H560 I561 W562 L584 L587 L591 M596 M600L554-F558 PolarHBondContact O-N 3.15Å; L555-F558 VanDerWaalsContact O-CB 3.26Å; L555-F558 WeakPolarHBondContact O-CB 3.18Å; L555-F558 PolarHBondContact O-N 3.08Å; F558-H560 PolarHBondContact O-N 2.93Å; F558-I561 PolarHBondContact O-N 3.03Å; F558-W562 HydrophobicContact CE1-CB 4.2Å; F558-W562 WeakPolarHBondContact O-CB 3.18Å; F558-W562 PolarHBondContact O-N 3.39Å; F558-L584 HydrophobicContact CE2-CD2 4.28Å; F558-L587 HydrophobicContact CD2-CB 3.81Å; F558-L587 HydrophobicContact CD2-CD1 4.47Å; F558-L587 HydrophobicContact CE2-CB 4.11Å; F558-L591 HydrophobicContact CD1-CD1 3.82Å; F558-L591 HydrophobicContact CD2-CD1 4.34Å; F558-L591 HydrophobicContact CE1-CD1 3.79Å; F558-L591 HydrophobicContact CE2-CD1 4.29Å; F558-L591 HydrophobicContact CG-CD1 4.12Å; F558-L591 HydrophobicContact CG-CD2 4.46Å; F558-L591 HydrophobicContact CZ-CD1 4.03Å; F558-M596 HydrophobicContact CE1-CE 3.62Å; F558-M596 HydrophobicContact CZ-CE 4.3Å; F558-M600 HydrophobicContact CE1-SD 4.37Å; F558-M600 HydrophobicContact CE2-CE 4.31Å; F558-M600 HydrophobicContact CZ-CE 3.76Å; F558-M600 HydrophobicContact CZ-SD 3.65Å
559D92.6Very high90Very high122 Ų12251.8 Ų51.865%0.65227%0.269SS*.Hα-helixtrans-61.5-35.2-180-70.7-31.7000112.3H557 S563H557-D559 PolarHBondContact O-N 3.31Å; D559-S563 WeakPolarHBondContact O-CB 3.45Å; D559-S563 PolarHBondContact O-N 2.94Å
560H93.6Very high89.6Confident57 Ų5757.6 Ų57.626%0.26429%0.292SS..Hα-helixtrans-67-48.9175.4-173.470.9000110.9T518 H557 F558 W562 S563 E564T518-H560 PolarHBondContact OG1-NE2 3.16Å; H557-H560 WeakPolarHBondContact O-CB 3.36Å; H557-H560 PolarHBondContact O-N 2.97Å; H557-H560 VanDerWaalsContact O-N 3.09Å; F558-H560 PolarHBondContact O-N 2.93Å; H560-W562 PolarHBondContact O-N 2.94Å; H560-S563 PolarHBondContact O-N 3.31Å; H560-E564 IonicContact CE1-OE1 3.9Å; H560-E564 WeakPolarHBondContact O-CG 3.3Å; H560-E564 PolarHBondContact O-N 3.19Å
561I94Very high89.4Confident9 Ų964.9 Ų64.95%0.04632%0.323CS..Hα-helixtrans-58.7-48.9177-64.7166.9000110.5L517 I521 L554 H557 F558 S563 E564 L565 L584 L587L517-I561 HydrophobicContact CD1-CD1 4.11Å; L517-I561 HydrophobicContact CD1-CG1 4.08Å; I521-I561 HydrophobicContact CD1-CG2 4.28Å; L554-I561 HydrophobicContact CB-CD1 4.39Å; L554-I561 HydrophobicContact CD2-CD1 4.37Å; H557-I561 WeakPolarHBondContact O-CG1 3.28Å; H557-I561 PolarHBondContact O-N 3.37Å; F558-I561 PolarHBondContact O-N 3.03Å; I561-S563 PolarHBondContact O-N 3.4Å; I561-E564 PolarHBondContact O-N 2.94Å; I561-L565 HydrophobicContact CG2-CD1 3.88Å; I561-L565 HydrophobicContact CG2-CG 4.49Å; I561-L565 WeakPolarHBondContact O-CB 3.37Å; I561-L565 WeakPolarHBondContact O-CG 3.48Å; I561-L565 PolarHBondContact O-N 2.96Å; I561-L584 HydrophobicContact CG2-CD2 4.33Å; I561-L587 HydrophobicContact CD1-CD1 3.85Å
562W92.4Very high89.2Confident24 Ų2462.2 Ų62.29%0.09131%0.314CS..Hα-helixtrans-58.3-46.6177.3176.2-106.1000111.7F558 H560 R566 L584 Y599 M600 L604F558-W562 HydrophobicContact CE1-CB 4.2Å; F558-W562 WeakPolarHBondContact O-CB 3.18Å; F558-W562 PolarHBondContact O-N 3.39Å; H560-W562 PolarHBondContact O-N 2.94Å; W562-R566 WeakPolarHBondContact O-CG 3.2Å; W562-R566 PolarHBondContact O-N 3.23Å; W562-R566 VanDerWaalsContact O-N 3.07Å; W562-L584 HydrophobicContact CE3-CD1 3.75Å; W562-L584 HydrophobicContact CE3-CD2 3.74Å; W562-L584 HydrophobicContact CE3-CG 4.27Å; W562-L584 HydrophobicContact CZ3-CD1 3.76Å; W562-L584 HydrophobicContact CZ3-CD2 4.45Å; W562-Y599 HydrophobicContact CZ2-CE1 4.49Å; W562-M600 HydrophobicContact CE3-CE 4.27Å; W562-M600 HydrophobicContact CH2-CG 3.98Å; W562-M600 HydrophobicContact CZ3-CE 3.89Å; W562-M600 HydrophobicContact CZ3-CG 4.05Å; W562-L604 HydrophobicContact CH2-CD1 4.34Å; W562-L604 HydrophobicContact CH2-CD2 4.04Å; W562-L604 HydrophobicContact CH2-CG 4.07Å; W562-L604 HydrophobicContact CZ3-CD1 4.02Å; W562-L604 HydrophobicContact CZ3-CD2 4.11Å; W562-L604 HydrophobicContact CZ3-CG 4.2Å
563S92.8Very high89.2Confident59 Ų5960.7 Ų60.741%0.41331%0.305SS..Hα-helixtrans-64.3-44.1178.5-178.60000112.4D559 H560 I561 R566 K567D559-S563 WeakPolarHBondContact O-CB 3.45Å; D559-S563 PolarHBondContact O-N 2.94Å; H560-S563 PolarHBondContact O-N 3.31Å; I561-S563 PolarHBondContact O-N 3.4Å; S563-R566 PolarHBondContact O-N 3.25Å; S563-K567 WeakPolarHBondContact O-CG 3.44Å; S563-K567 PolarHBondContact O-N 3.08Å
564E92.6Very high88.7Confident22 Ų2263.6 Ų63.610%0.10332%0.32CS..Hα-helixtrans-64.9-43.7178.7-70-52.8139.200111.8I521 H560 I561 R566 K567 F568I521-E564 HydrophobicContact CD1-CB 3.84Å; I521-E564 HydrophobicContact CG2-CB 4.04Å; H560-E564 IonicContact CE1-OE1 3.9Å; H560-E564 WeakPolarHBondContact O-CG 3.3Å; H560-E564 PolarHBondContact O-N 3.19Å; I561-E564 PolarHBondContact O-N 2.94Å; E564-R566 VanDerWaalsContact C-N 3.33Å; E564-R566 PolarHBondContact O-N 3.31Å; E564-K567 WeakPolarHBondContact O-CB 3.5Å; E564-K567 PolarHBondContact O-N 3.15Å; E564-K567 IonicContact OE1-NZ 2.98Å; E564-K567 PolarHBondContact OE1-NZ 3.44Å; E564-K567 WeakPolarHBondContact OE2-CD 3.32Å; E564-K567 IonicContact OE2-NZ 3.76Å; E564-K567 PolarHBondContact OE2-NZ 3.29Å; E564-F568 VanDerWaalsContact O-CD2 3.3Å; E564-F568 WeakPolarHBondContact O-CD2 3.36Å
565L91.4Very high88.3Confident12 Ų1266.8 Ų66.86%0.06334%0.335CS..Hα-helixtrans-63.5-38.1177.7-72.9173.1000112.3I521 L524 I561 K567 F568 G569 M580 L584I521-L565 HydrophobicContact CG2-CD2 3.97Å; I521-L565 HydrophobicContact CG2-CG 4.49Å; L524-L565 HydrophobicContact CD1-CD2 3.88Å; I561-L565 HydrophobicContact CG2-CD1 3.88Å; I561-L565 HydrophobicContact CG2-CG 4.49Å; I561-L565 WeakPolarHBondContact O-CB 3.37Å; I561-L565 WeakPolarHBondContact O-CG 3.48Å; I561-L565 PolarHBondContact O-N 2.96Å; L565-K567 PolarHBondContact O-N 3.14Å; L565-F568 PolarHBondContact O-N 3.35Å; L565-F568 VanDerWaalsContact O-N 3.13Å; L565-G569 PolarHBondContact O-N 2.93Å; L565-M580 HydrophobicContact CD1-CB 4.35Å; L565-M580 HydrophobicContact CD1-SD 4.25Å; L565-M580 HydrophobicContact CD2-CB 4.33Å; L565-M580 HydrophobicContact CD2-CG 3.82Å; L565-M580 HydrophobicContact CD2-SD 3.61Å; L565-L584 HydrophobicContact CD1-CD1 3.94Å; L565-L584 HydrophobicContact CD1-CD2 3.89Å; L565-L584 HydrophobicContact CD1-CG 3.91Å
566R88.2Confident88.1Confident152 Ų15264.8 Ų64.857%0.57433%0.325SS*.Hα-helixtrans-62.3-27.8176.2-76-17384.2-172.810.5113.5W562 S563 E564 F568W562-R566 WeakPolarHBondContact O-CG 3.2Å; W562-R566 PolarHBondContact O-N 3.23Å; W562-R566 VanDerWaalsContact O-N 3.07Å; S563-R566 PolarHBondContact O-N 3.25Å; E564-R566 VanDerWaalsContact C-N 3.33Å; E564-R566 PolarHBondContact O-N 3.31Å; R566-F568 PolarHBondContact O-N 2.8Å
567K88.4Confident87.9Confident119 Ų11963.5 Ų63.552%0.51731%0.31SS..Hα-helixtrans-65.7-28176.8-65.6173.1-1691720112.7S563 E564 L565S563-K567 WeakPolarHBondContact O-CG 3.44Å; S563-K567 PolarHBondContact O-N 3.08Å; E564-K567 WeakPolarHBondContact O-CB 3.5Å; E564-K567 PolarHBondContact O-N 3.15Å; E564-K567 IonicContact OE1-NZ 2.98Å; E564-K567 PolarHBondContact OE1-NZ 3.44Å; E564-K567 WeakPolarHBondContact OE2-CD 3.32Å; E564-K567 IonicContact OE2-NZ 3.76Å; E564-K567 PolarHBondContact OE2-NZ 3.29Å; L565-K567 PolarHBondContact O-N 3.14Å
568F82.2Confident87.5Confident50 Ų5062.1 Ų62.122%0.21930%0.304CS..Hα-helixtrans-116.4-3.7-172.4-54.3-63.4000113.9I521 I525 E564 L565 R566 E570 K571 L572I521-F568 HydrophobicContact CG2-CD2 4.36Å; I525-F568 HydrophobicContact CD1-CB 4.09Å; I525-F568 HydrophobicContact CD1-CD1 3.17Å; I525-F568 HydrophobicContact CD1-CD2 4.5Å; I525-F568 HydrophobicContact CD1-CE1 3.62Å; I525-F568 HydrophobicContact CD1-CG 3.67Å; I525-F568 HydrophobicContact CD1-CZ 4.44Å; I525-F568 HydrophobicContact CG1-CD1 4.32Å; I525-F568 HydrophobicContact CG1-CG 4.44Å; E564-F568 VanDerWaalsContact O-CD2 3.3Å; E564-F568 WeakPolarHBondContact O-CD2 3.36Å; L565-F568 PolarHBondContact O-N 3.35Å; L565-F568 VanDerWaalsContact O-N 3.13Å; R566-F568 PolarHBondContact O-N 2.8Å; F568-E570 VanDerWaalsContact C-N 3.31Å; F568-E570 PolarHBondContact O-N 2.93Å; F568-E570 VanDerWaalsContact O-N 3.09Å; F568-K571 WeakPolarHBondContact O-CA 3.41Å; F568-K571 WeakPolarHBondContact O-CB 3.46Å; F568-K571 PolarHBondContact O-N 2.72Å; F568-L572 PolarHBondContact O-N 3.02Å
569G75.7Confident87.4Confident29 Ų2962.6 Ų62.630%0.29931%0.307SS..G310 helixtrans-47.4-44.5-170.500000115.4L565 K571 L572 K577L565-G569 PolarHBondContact O-N 2.93Å; G569-K571 VanDerWaalsContact C-N 3.3Å; G569-K571 PolarHBondContact O-N 3.47Å; G569-L572 PolarHBondContact O-N 3.03Å; G569-K577 WeakPolarHBondContact O-CE 3.39Å
570E77.4Confident87.4Confident191 Ų19157.1 Ų57.189%0.89328%0.277SS*.G310 helixtrans-68.8-27.1179.5-66.4-171.5169.700113.8F568F568-E570 VanDerWaalsContact C-N 3.31Å; F568-E570 PolarHBondContact O-N 2.93Å; F568-E570 VanDerWaalsContact O-N 3.09Å
571K84.3Confident87.3Confident153 Ų15355.1 Ų55.167%0.66527%0.269SS*.G310 helixtrans-85-15.9-177.4-62.8-179.9178.8178.50113.5I525 F568 G569I525-K571 HydrophobicContact CG2-CB 4.43Å; F568-K571 WeakPolarHBondContact O-CA 3.41Å; F568-K571 WeakPolarHBondContact O-CB 3.46Å; F568-K571 PolarHBondContact O-N 2.72Å; G569-K571 VanDerWaalsContact C-N 3.3Å; G569-K571 PolarHBondContact O-N 3.47Å
572L85.3Confident87.1Confident12 Ų1255.7 Ų55.76%0.06327%0.272CS..SBendtrans-66.2142179.1-61.9174.6000110.2L524 I525 F568 G569 I576 K577 M580L524-L572 HydrophobicContact CB-CD2 3.98Å; I525-L572 HydrophobicContact CG2-CD2 3.56Å; F568-L572 PolarHBondContact O-N 3.02Å; G569-L572 PolarHBondContact O-N 3.03Å; L572-I576 HydrophobicContact CB-CG2 4.39Å; L572-I576 HydrophobicContact CD2-CG2 3.79Å; L572-I576 HydrophobicContact CG-CG2 4.44Å; L572-K577 HydrophobicContact CB-CD 4.4Å; L572-K577 HydrophobicContact CB-CG 3.54Å; L572-K577 HydrophobicContact CD1-CG 4.31Å; L572-K577 WeakPolarHBondContact O-CE 3.44Å; L572-K577 PolarHBondContact O-NZ 3.02Å; L572-K577 VanDerWaalsContact O-NZ 3.09Å; L572-M580 HydrophobicContact CD1-CG 4.23Å
573T84.6Confident87.2Confident80 Ų8054.9 Ų54.949%0.49127%0.269SS..  trans-67.1156169.763.90000109.9H575 I576 K577T573-H575 VanDerWaalsContact C-N 3.29Å; T573-H575 PolarHBondContact O-N 3.16Å; T573-I576 PolarHBondContact O-N 3.03Å; T573-I576 VanDerWaalsContact O-N 3.08Å; T573-I576 WeakPolarHBondContact OG1-CD1 3.46Å; T573-I576 VanDerWaalsContact OG1-CG1 3.26Å; T573-I576 WeakPolarHBondContact OG1-CG1 3.34Å; T573-I576 PolarHBondContact OG1-N 2.83Å; T573-K577 WeakPolarHBondContact O-CG 3.24Å; T573-K577 PolarHBondContact O-N 3.48Å
574D81.6Confident87.2Confident71 Ų7152.4 Ų52.438%0.3825%0.252SS..Hα-helixtrans-51.6-46.5-178.9-68-11.7000112.5K577 C578 L655D574-K577 WeakPolarHBondContact O-CB 3.23Å; D574-K577 PolarHBondContact O-N 2.89Å; D574-C578 PolarHBondContact O-N 2.74Å; D574-C578 VanDerWaalsContact O-N 3.17Å; D574-C578 PolarHBondContact O-SG 3.23Å; D574-L655 HydrophobicContact CB-CD1 3.76Å; D574-L655 HydrophobicContact CB-CD2 4.05Å; D574-L655 HydrophobicContact CB-CG 4.35Å
575H84.1Confident87.2Confident72 Ų7251.4 Ų51.433%0.33325%0.247SC..Hα-helixtrans-63-45176.817866.3000112.9H541 T573 K577 C578 N579H541-H575 AromaticContact NE2-CE1 3.82Å; H541-H575 AromaticContact NE2-NE2 3.39Å; H541-H575 PolarHBondContact NE2-NE2 3.16Å; T573-H575 VanDerWaalsContact C-N 3.29Å; T573-H575 PolarHBondContact O-N 3.16Å; H575-K577 VanDerWaalsContact C-N 3.29Å; H575-K577 PolarHBondContact O-N 3.49Å; H575-C578 PolarHBondContact O-N 3.18Å; H575-N579 PolarHBondContact NE2-ND2 3.36Å; H575-N579 PolarHBondContact O-N 3.46Å
576I89.2Confident87.2Confident4 Ų451.1 Ų51.12%0.02125%0.245CC..Hα-helixtrans-67.4-34178.8-64.6172.2000110.7L524 N536 L572 T573 N579 M580L524-I576 HydrophobicContact CB-CG2 4.33Å; L524-I576 HydrophobicContact CD2-CG2 3.81Å; N536-I576 HydrophobicContact CB-CD1 3.77Å; L572-I576 HydrophobicContact CB-CG2 4.39Å; L572-I576 HydrophobicContact CD2-CG2 3.79Å; L572-I576 HydrophobicContact CG-CG2 4.44Å; T573-I576 PolarHBondContact O-N 3.03Å; T573-I576 VanDerWaalsContact O-N 3.08Å; T573-I576 WeakPolarHBondContact OG1-CD1 3.46Å; T573-I576 VanDerWaalsContact OG1-CG1 3.26Å; T573-I576 WeakPolarHBondContact OG1-CG1 3.34Å; T573-I576 PolarHBondContact OG1-N 2.83Å; I576-N579 PolarHBondContact O-N 3.2Å; I576-M580 HydrophobicContact CG2-CG 4.2Å; I576-M580 VanDerWaalsContact O-CG 3.28Å; I576-M580 WeakPolarHBondContact O-CG 3.36Å; I576-M580 PolarHBondContact O-N 3.04Å
577K87.3Confident87.4Confident62 Ų6243.9 Ų43.927%0.2722%0.218SC..Hα-helixtrans-58.7-47.3173.7-74.1173176.61520111G569 L572 T573 D574 H575 M580 V581G569-K577 WeakPolarHBondContact O-CE 3.39Å; L572-K577 HydrophobicContact CB-CD 4.4Å; L572-K577 HydrophobicContact CB-CG 3.54Å; L572-K577 HydrophobicContact CD1-CG 4.31Å; L572-K577 WeakPolarHBondContact O-CE 3.44Å; L572-K577 PolarHBondContact O-NZ 3.02Å; L572-K577 VanDerWaalsContact O-NZ 3.09Å; T573-K577 WeakPolarHBondContact O-CG 3.24Å; T573-K577 PolarHBondContact O-N 3.48Å; D574-K577 WeakPolarHBondContact O-CB 3.23Å; D574-K577 PolarHBondContact O-N 2.89Å; H575-K577 VanDerWaalsContact C-N 3.29Å; H575-K577 PolarHBondContact O-N 3.49Å; K577-M580 PolarHBondContact O-N 2.99Å; K577-V581 WeakPolarHBondContact O-CG2 3.37Å; K577-V581 PolarHBondContact O-N 3.44Å
578C86.8Confident87.6Confident2 Ų238.2 Ų38.21%0.01419%0.194CC..Hα-helixtrans-56.1-52.3176.1-64.10000111.2D574 H575 M580 V581 D582 E658D574-C578 PolarHBondContact O-N 2.74Å; D574-C578 VanDerWaalsContact O-N 3.17Å; D574-C578 PolarHBondContact O-SG 3.23Å; H575-C578 PolarHBondContact O-N 3.18Å; C578-M580 VanDerWaalsContact C-N 3.25Å; C578-M580 PolarHBondContact O-N 3.44Å; C578-V581 WeakPolarHBondContact O-CA 3.41Å; C578-V581 WeakPolarHBondContact O-CB 3.14Å; C578-V581 PolarHBondContact O-N 3.02Å; C578-D582 PolarHBondContact O-N 2.84Å; C578-E658 HydrophobicContact CB-CG 4.41Å
579N91Very high87.9Confident13 Ų1336.8 Ų36.87%0.0719%0.188CC..Hα-helixtrans-58.7-35.2179.2-66.4-3.4000112.8S540 H541 V544 H575 I576 D582 V583S540-N579 PolarHBondContact OG-ND2 3.11Å; H541-N579 PolarHBondContact CD2-ND2 3.33Å; H541-N579 PolarHBondContact NE2-ND2 3.13Å; V544-N579 HydrophobicContact CG2-CB 3.87Å; V544-N579 WeakPolarHBondContact CG2-O 3.34Å; H575-N579 PolarHBondContact NE2-ND2 3.36Å; H575-N579 PolarHBondContact O-N 3.46Å; I576-N579 PolarHBondContact O-N 3.2Å; N579-D582 WeakPolarHBondContact O-CB 3.48Å; N579-D582 PolarHBondContact O-N 3.34Å; N579-V583 WeakPolarHBondContact O-CG2 3.49Å; N579-V583 PolarHBondContact O-N 3.45Å; N579-V583 VanDerWaalsContact O-N 3.12Å
580M92.8Very high88.4Confident7 Ų736.8 Ų36.83%0.03419%0.188CC..Hα-helixtrans-76.1-29.8176.8-65.4-56.993.300112.9L524 L543 L565 L572 I576 K577 C578 D582 V583 L584L524-M580 HydrophobicContact CD1-CE 4.49Å; L524-M580 HydrophobicContact CD1-CG 4.18Å; L524-M580 HydrophobicContact CD1-SD 3.52Å; L524-M580 VanDerWaalsContact CD1-SD 3.52Å; L524-M580 HydrophobicContact CD2-CE 4.22Å; L524-M580 HydrophobicContact CD2-SD 4.28Å; L543-M580 HydrophobicContact CB-CE 4.04Å; L543-M580 HydrophobicContact CD1-CE 4.04Å; L543-M580 HydrophobicContact CD1-SD 4.01Å; L565-M580 HydrophobicContact CD1-CB 4.35Å; L565-M580 HydrophobicContact CD1-SD 4.25Å; L565-M580 HydrophobicContact CD2-CB 4.33Å; L565-M580 HydrophobicContact CD2-CG 3.82Å; L565-M580 HydrophobicContact CD2-SD 3.61Å; L572-M580 HydrophobicContact CD1-CG 4.23Å; I576-M580 HydrophobicContact CG2-CG 4.2Å; I576-M580 VanDerWaalsContact O-CG 3.28Å; I576-M580 WeakPolarHBondContact O-CG 3.36Å; I576-M580 PolarHBondContact O-N 3.04Å; K577-M580 PolarHBondContact O-N 2.99Å; C578-M580 VanDerWaalsContact C-N 3.25Å; C578-M580 PolarHBondContact O-N 3.44Å; M580-D582 VanDerWaalsContact C-N 3.32Å; M580-V583 HydrophobicContact CE-CG2 3.94Å; M580-V583 PolarHBondContact O-N 3.24Å; M580-L584 WeakPolarHBondContact O-CB 3.13Å; M580-L584 VanDerWaalsContact O-CG 3.22Å; M580-L584 WeakPolarHBondContact O-CG 3.43Å; M580-L584 PolarHBondContact O-N 2.92Å
581V90.8Very high88.9Confident14 Ų1430.7 Ų30.79%0.08516%0.162CC..Hα-helixtrans-62.7-44169.5173.80000109.5K577 C578 V583 L584 F585 S662 V663K577-V581 WeakPolarHBondContact O-CG2 3.37Å; K577-V581 PolarHBondContact O-N 3.44Å; C578-V581 WeakPolarHBondContact O-CA 3.41Å; C578-V581 WeakPolarHBondContact O-CB 3.14Å; C578-V581 PolarHBondContact O-N 3.02Å; V581-V583 PolarHBondContact O-N 3.17Å; V581-L584 PolarHBondContact O-N 3.49Å; V581-F585 HydrophobicContact CG1-CD2 3.61Å; V581-F585 HydrophobicContact CG1-CE2 3.77Å; V581-F585 WeakPolarHBondContact O-CD2 3.41Å; V581-F585 PolarHBondContact O-N 2.94Å; V581-S662 VanDerWaalsContact CG1-OG 3.24Å; V581-S662 WeakPolarHBondContact CG1-OG 3.36Å; V581-V663 HydrophobicContact CG1-CG2 3.71Å
582D91.1Very high89.1Confident22 Ų2225.6 Ų25.612%0.11814%0.141CC..Hα-helixtrans-55.7-53.5174.8-60.8-28.8000111.1V544 C578 N579 M580 L584 F585 E586 S662 H666V544-D582 HydrophobicContact CG2-CB 4.42Å; C578-D582 PolarHBondContact O-N 2.84Å; N579-D582 WeakPolarHBondContact O-CB 3.48Å; N579-D582 PolarHBondContact O-N 3.34Å; M580-D582 VanDerWaalsContact C-N 3.32Å; D582-L584 VanDerWaalsContact C-N 3.29Å; D582-L584 PolarHBondContact O-N 3.35Å; D582-F585 PolarHBondContact O-N 3.34Å; D582-E586 WeakPolarHBondContact O-CB 3.3Å; D582-E586 PolarHBondContact O-N 2.81Å; D582-S662 WeakPolarHBondContact OD1-CB 3.35Å; D582-S662 PolarHBondContact OD1-OG 3.33Å; D582-H666 IonicContact OD1-CD2 3.93Å; D582-H666 PolarHBondContact OD1-CD2 3.15Å; D582-H666 IonicContact OD1-NE2 2.73Å; D582-H666 PolarHBondContact OD1-NE2 3.16Å
583V93.1Very high89.4Confident6 Ų626.9 Ų26.94%0.03615%0.151CC..Hα-helixtrans-53.8-46.5178.5168.80000111.7L543 V544 N579 M580 V581 L587L543-V583 HydrophobicContact CB-CG2 4.08Å; V544-V583 HydrophobicContact CB-CG2 4.4Å; V544-V583 HydrophobicContact CG2-CG2 3.87Å; N579-V583 WeakPolarHBondContact O-CG2 3.49Å; N579-V583 PolarHBondContact O-N 3.45Å; N579-V583 VanDerWaalsContact O-N 3.12Å; M580-V583 HydrophobicContact CE-CG2 3.94Å; M580-V583 PolarHBondContact O-N 3.24Å; V581-V583 PolarHBondContact O-N 3.17Å; V583-L587 HydrophobicContact CG1-CD1 4.08Å; V583-L587 WeakPolarHBondContact O-CB 3.24Å; V583-L587 VanDerWaalsContact O-CG 3.27Å; V583-L587 WeakPolarHBondContact O-CG 3.38Å; V583-L587 PolarHBondContact O-N 3.41Å; V583-L587 VanDerWaalsContact O-N 3.1Å
584L93.6Very high89.8Confident8 Ų824.6 Ų24.64%0.04213%0.134CC..Hα-helixtrans-68.5-44.1-175.5-73.4171.4000112F558 I561 W562 L565 M580 V581 D582 S588 M600 L604F558-L584 HydrophobicContact CE2-CD2 4.28Å; I561-L584 HydrophobicContact CG2-CD2 4.33Å; W562-L584 HydrophobicContact CE3-CD1 3.75Å; W562-L584 HydrophobicContact CE3-CD2 3.74Å; W562-L584 HydrophobicContact CE3-CG 4.27Å; W562-L584 HydrophobicContact CZ3-CD1 3.76Å; W562-L584 HydrophobicContact CZ3-CD2 4.45Å; L565-L584 HydrophobicContact CD1-CD1 3.94Å; L565-L584 HydrophobicContact CD1-CD2 3.89Å; L565-L584 HydrophobicContact CD1-CG 3.91Å; M580-L584 WeakPolarHBondContact O-CB 3.13Å; M580-L584 VanDerWaalsContact O-CG 3.22Å; M580-L584 WeakPolarHBondContact O-CG 3.43Å; M580-L584 PolarHBondContact O-N 2.92Å; V581-L584 PolarHBondContact O-N 3.49Å; D582-L584 VanDerWaalsContact C-N 3.29Å; D582-L584 PolarHBondContact O-N 3.35Å; L584-S588 VanDerWaalsContact O-CB 3.29Å; L584-S588 WeakPolarHBondContact O-CB 3.43Å; L584-S588 PolarHBondContact O-N 3.01Å; L584-M600 HydrophobicContact CB-CE 3.86Å; L584-L604 HydrophobicContact CD1-CD1 4.33Å
585F92.3Very high90.3Very high0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-71.3-38.1178.4-80.8-69.7000112.4V581 D582 L587 S588 N589 M600 T601 L604 V663 H666 I667V581-F585 HydrophobicContact CG1-CD2 3.61Å; V581-F585 HydrophobicContact CG1-CE2 3.77Å; V581-F585 WeakPolarHBondContact O-CD2 3.41Å; V581-F585 PolarHBondContact O-N 2.94Å; D582-F585 PolarHBondContact O-N 3.34Å; F585-L587 VanDerWaalsContact C-N 3.34Å; F585-L587 PolarHBondContact O-N 2.99Å; F585-S588 WeakPolarHBondContact CA-OG 3.48Å; F585-S588 PolarHBondContact O-N 3.37Å; F585-S588 VanDerWaalsContact O-N 3.16Å; F585-S588 PolarHBondContact O-OG 3.05Å; F585-N589 PolarHBondContact O-N 3.45Å; F585-N589 PolarHBondContact O-ND2 3.43Å; F585-M600 HydrophobicContact CE1-CB 4.13Å; F585-M600 HydrophobicContact CZ-CB 4.11Å; F585-T601 WeakPolarHBondContact CE1-OG1 3.49Å; F585-L604 HydrophobicContact CD2-CD1 4.38Å; F585-L604 HydrophobicContact CE2-CD1 3.55Å; F585-L604 HydrophobicContact CZ-CD1 4.01Å; F585-V663 HydrophobicContact CD2-CB 4.42Å; F585-V663 HydrophobicContact CD2-CG1 4.4Å; F585-V663 HydrophobicContact CD2-CG2 3.99Å; F585-V663 HydrophobicContact CE1-CG1 4.22Å; F585-V663 HydrophobicContact CE2-CB 4.19Å; F585-V663 HydrophobicContact CE2-CG1 3.98Å; F585-V663 HydrophobicContact CE2-CG2 3.51Å; F585-V663 HydrophobicContact CZ-CG1 3.87Å; F585-V663 HydrophobicContact CZ-CG2 4.13Å; F585-H666 HydrophobicContact CB-CB 3.69Å; F585-I667 HydrophobicContact CB-CG1 4.34Å; F585-I667 HydrophobicContact CD1-CD1 3.66Å; F585-I667 HydrophobicContact CD1-CG1 3.38Å; F585-I667 HydrophobicContact CE1-CD1 3.69Å; F585-I667 HydrophobicContact CE1-CG1 3.97Å; F585-I667 HydrophobicContact CG-CG1 4.07Å
586E91.1Very high90.7Very high7 Ų725.8 Ų25.83%0.03314%0.142CC..Hα-helixtrans-57-46.8175-173.161.8-152.500111.6R551 D582 N589 H666R551-E586 IonicContact CZ-OE1 3.22Å; R551-E586 PolarHBondContact NE-O 2.91Å; R551-E586 IonicContact NE-OE1 2.81Å; R551-E586 IonicContact NH2-OE1 3.61Å; R551-E586 PolarHBondContact NH2-OE1 3.49Å; D582-E586 WeakPolarHBondContact O-CB 3.3Å; D582-E586 PolarHBondContact O-N 2.81Å; E586-N589 PolarHBondContact O-ND2 3.45Å; E586-H666 IonicContact OE2-CE1 3.77Å; E586-H666 IonicContact OE2-CG 2.69Å; E586-H666 IonicContact OE2-ND1 3.99Å; E586-H666 PolarHBondContact OE2-ND1 3.11Å
587L92.4Very high90.9Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-70.6-36.8176-66.2177.1000112.5R551 L554 L555 F558 I561 V583 F585 N589 G590R551-L587 HydrophobicContact CG-CD2 4.14Å; L554-L587 HydrophobicContact CB-CD1 4.31Å; L554-L587 HydrophobicContact CB-CD2 3.66Å; L554-L587 HydrophobicContact CD1-CD2 4.06Å; L555-L587 WeakPolarHBondContact CD1-O 3.39Å; F558-L587 HydrophobicContact CD2-CB 3.81Å; F558-L587 HydrophobicContact CD2-CD1 4.47Å; F558-L587 HydrophobicContact CE2-CB 4.11Å; I561-L587 HydrophobicContact CD1-CD1 3.85Å; V583-L587 HydrophobicContact CG1-CD1 4.08Å; V583-L587 WeakPolarHBondContact O-CB 3.24Å; V583-L587 VanDerWaalsContact O-CG 3.27Å; V583-L587 WeakPolarHBondContact O-CG 3.38Å; V583-L587 PolarHBondContact O-N 3.41Å; V583-L587 VanDerWaalsContact O-N 3.1Å; F585-L587 VanDerWaalsContact C-N 3.34Å; F585-L587 PolarHBondContact O-N 2.99Å; L587-N589 PolarHBondContact O-N 3.19Å; L587-N589 VanDerWaalsContact O-N 3.13Å; L587-G590 PolarHBondContact O-N 3.38Å
588S92Very high91.2Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-60.3-25.1-178.479.70000113.2L584 F585 G590 L591 Q597L584-S588 VanDerWaalsContact O-CB 3.29Å; L584-S588 WeakPolarHBondContact O-CB 3.43Å; L584-S588 PolarHBondContact O-N 3.01Å; F585-S588 WeakPolarHBondContact CA-OG 3.48Å; F585-S588 PolarHBondContact O-N 3.37Å; F585-S588 VanDerWaalsContact O-N 3.16Å; F585-S588 PolarHBondContact O-OG 3.05Å; S588-G590 PolarHBondContact O-N 2.97Å; S588-L591 WeakPolarHBondContact O-CB 3.11Å; S588-L591 PolarHBondContact O-N 2.88Å; S588-L591 VanDerWaalsContact O-N 3.1Å; S588-Q597 PolarHBondContact O-NE2 3.02Å
589N89.6Confident91.6Very high19 Ų1930.4 Ų30.410%0.10216%0.16CC..G310 helixtrans-58.7-31.1174.1-64.4-35.3000112.4F585 E586 L587 L591 H666 S668F585-N589 PolarHBondContact O-N 3.45Å; F585-N589 PolarHBondContact O-ND2 3.43Å; E586-N589 PolarHBondContact O-ND2 3.45Å; L587-N589 PolarHBondContact O-N 3.19Å; L587-N589 VanDerWaalsContact O-N 3.13Å; N589-L591 VanDerWaalsContact C-N 3.34Å; N589-H666 PolarHBondContact ND2-O 3.1Å; N589-H666 PolarHBondContact OD1-O 3.41Å; N589-S668 PolarHBondContact ND2-OG 3.41Å; N589-S668 PolarHBondContact OD1-N 3.04Å; N589-S668 PolarHBondContact OD1-O 3.01Å; N589-S668 PolarHBondContact OD1-OG 3.33Å
590G87.2Confident91.6Very high30 Ų3029.8 Ų29.831%0.30916%0.157SC..G310 helixtrans-73.9-20.6177.500000114.3L555 L587 S588 N592L555-G590 WeakPolarHBondContact CD2-O 3.09Å; L587-G590 PolarHBondContact O-N 3.38Å; S588-G590 PolarHBondContact O-N 2.97Å; G590-N592 VanDerWaalsContact C-N 3.29Å; G590-N592 PolarHBondContact O-N 3.25Å
591L87.4Confident91.7Very high63 Ų6329.5 Ų29.533%0.3316%0.155SC..G310 helixtrans-74.9-20.9-178.8-62172.8000112.8L555 F558 S588 N589 S593 M596L555-L591 HydrophobicContact CD1-CD2 3.64Å; L555-L591 HydrophobicContact CD1-CG 3.9Å; L555-L591 HydrophobicContact CG-CD2 4.45Å; F558-L591 HydrophobicContact CD1-CD1 3.82Å; F558-L591 HydrophobicContact CD2-CD1 4.34Å; F558-L591 HydrophobicContact CE1-CD1 3.79Å; F558-L591 HydrophobicContact CE2-CD1 4.29Å; F558-L591 HydrophobicContact CG-CD1 4.12Å; F558-L591 HydrophobicContact CG-CD2 4.46Å; F558-L591 HydrophobicContact CZ-CD1 4.03Å; S588-L591 WeakPolarHBondContact O-CB 3.11Å; S588-L591 PolarHBondContact O-N 2.88Å; S588-L591 VanDerWaalsContact O-N 3.1Å; N589-L591 VanDerWaalsContact C-N 3.34Å; L591-S593 VanDerWaalsContact C-N 3.33Å; L591-S593 PolarHBondContact O-N 2.96Å; L591-M596 HydrophobicContact CD1-CG 4.01Å
592N87.4Confident91.7Very high45 Ų4531 Ų3124%0.24117%0.167CC..  trans46.850.3-175.9-165.742.6000113.3G590 A675 G679G590-N592 VanDerWaalsContact C-N 3.29Å; G590-N592 PolarHBondContact O-N 3.25Å; N592-A675 PolarHBondContact ND2-O 3.29Å; N592-A675 PolarHBondContact OD1-O 3.03Å; N592-G679 WeakPolarHBondContact O-CA 3.48Å
593S91.6Very high91.7Very high39 Ų3932 Ų3227%0.27317%0.174SC..  trans-133111.8-179.4174.80000111.1L591 D595 M596 Q597L591-S593 VanDerWaalsContact C-N 3.33Å; L591-S593 PolarHBondContact O-N 2.96Å; S593-D595 VanDerWaalsContact C-N 3.34Å; S593-D595 PolarHBondContact O-N 3Å; S593-M596 PolarHBondContact O-N 3.32Å; S593-M596 PolarHBondContact OG-N 2.99Å; S593-Q597 WeakPolarHBondContact O-CG 3.36Å; S593-Q597 PolarHBondContact O-N 3.05Å; S593-Q597 VanDerWaalsContact O-N 3.11Å
594Y93.1Very high91.5Very high33 Ų3334 Ų3413%0.12918%0.184CC..Hα-helixtrans-55.8-49.5174.7176.6-88.8000111M596 Q597 H598 G679 F681 N693 P695Y594-M596 VanDerWaalsContact C-N 3.33Å; Y594-M596 PolarHBondContact O-N 3.39Å; Y594-Q597 PolarHBondContact O-N 3.1Å; Y594-H598 HydrophobicContact CD1-CB 4.46Å; Y594-H598 HydrophobicContact CE1-CB 4.17Å; Y594-H598 WeakPolarHBondContact O-CB 3.31Å; Y594-H598 PolarHBondContact O-N 3.21Å; Y594-G679 WeakPolarHBondContact CB-O 3.37Å; Y594-G679 PolarHBondContact N-O 3.19Å; Y594-F681 AromaticContact CD2-CD1 3.78Å; Y594-F681 HydrophobicContact CD2-CD1 3.78Å; Y594-F681 HydrophobicContact CD2-CE1 4.14Å; Y594-F681 HydrophobicContact CD2-CG 4.45Å; Y594-F681 HydrophobicContact CG-CD1 4.44Å; Y594-N693 HydrophobicContact CE2-CB 4.01Å; Y594-P695 HydrophobicContact CD2-CB 4Å; Y594-P695 HydrophobicContact CE2-CB 3.99Å
595D93.4Very high91.5Very high123 Ų12333.6 Ų33.666%0.65818%0.182SC*.Hα-helixtrans-60.6-42-176.6-66.7-32000112.1S593 Y599S593-D595 VanDerWaalsContact C-N 3.34Å; S593-D595 PolarHBondContact O-N 3Å; D595-Y599 VanDerWaalsContact O-CB 3.23Å; D595-Y599 WeakPolarHBondContact O-CB 3.22Å; D595-Y599 PolarHBondContact O-N 3.45Å
596M91.9Very high91.4Very high45 Ų4536.5 Ų36.522%0.22220%0.202CC..Hα-helixtrans-67.3-46.9179-17457.9175.800111.3F558 L591 S593 Y594 H598 Y599 M600F558-M596 HydrophobicContact CE1-CE 3.62Å; F558-M596 HydrophobicContact CZ-CE 4.3Å; L591-M596 HydrophobicContact CD1-CG 4.01Å; S593-M596 PolarHBondContact O-N 3.32Å; S593-M596 PolarHBondContact OG-N 2.99Å; Y594-M596 VanDerWaalsContact C-N 3.33Å; Y594-M596 PolarHBondContact O-N 3.39Å; M596-H598 VanDerWaalsContact C-N 3.34Å; M596-H598 PolarHBondContact O-N 3.31Å; M596-Y599 PolarHBondContact O-N 3.35Å; M596-Y599 HydrophobicContact SD-CD1 4.37Å; M596-M600 HydrophobicContact CE-CG 4.13Å; M596-M600 HydrophobicContact CE-SD 4.01Å; M596-M600 HydrophobicContact CG-SD 4.13Å; M596-M600 WeakPolarHBondContact O-CB 3.5Å; M596-M600 VanDerWaalsContact O-CG 3.25Å; M596-M600 WeakPolarHBondContact O-CG 3.32Å; M596-M600 PolarHBondContact O-N 2.76Å; M596-M600 HydrophobicContact SD-CG 4.43Å
597Q93.5Very high91.4Very high2 Ų239.1 Ų39.11%0.00922%0.221CC..Hα-helixtrans-63.5-41.5178.3-70.2-178.7-7.700111.4S588 S593 Y594 M600 T601 F681 P695S588-Q597 PolarHBondContact O-NE2 3.02Å; S593-Q597 WeakPolarHBondContact O-CG 3.36Å; S593-Q597 PolarHBondContact O-N 3.05Å; S593-Q597 VanDerWaalsContact O-N 3.11Å; Y594-Q597 PolarHBondContact O-N 3.1Å; Q597-M600 PolarHBondContact O-N 3.39Å; Q597-T601 PolarHBondContact O-N 3.29Å; Q597-T601 PolarHBondContact O-OG1 3.4Å; Q597-T601 VanDerWaalsContact O-OG1 3.05Å; Q597-F681 VanDerWaalsContact OE1-CE1 3.29Å; Q597-P695 HydrophobicContact CB-CB 3.85Å; Q597-P695 HydrophobicContact CB-CG 3.81Å
598H93.7Very high91.5Very high50 Ų5039.1 Ų39.123%0.23122%0.221CC..Hα-helixtrans-63.6-43.4176.3-178.377.8000112.4Y594 M596 T601 S602 P695 D698Y594-H598 HydrophobicContact CD1-CB 4.46Å; Y594-H598 HydrophobicContact CE1-CB 4.17Å; Y594-H598 WeakPolarHBondContact O-CB 3.31Å; Y594-H598 PolarHBondContact O-N 3.21Å; M596-H598 VanDerWaalsContact C-N 3.34Å; M596-H598 PolarHBondContact O-N 3.31Å; H598-T601 PolarHBondContact O-N 2.99Å; H598-S602 WeakPolarHBondContact O-CB 3.5Å; H598-S602 PolarHBondContact O-N 2.96Å; H598-S602 PolarHBondContact O-OG 3.31Å; H598-S602 VanDerWaalsContact O-OG 3.04Å; H598-P695 HydrophobicContact CB-CB 4.21Å; H598-P695 PolarHBondContact ND1-O 3.49Å; H598-D698 IonicContact CE1-OD2 3.9Å
599Y94Very high91.6Very high113 Ų11340.1 Ų40.144%0.44323%0.227SC..Hα-helixtrans-63-43.7174.5171.5-102.7000111.8W562 D595 M596 S602 T603W562-Y599 HydrophobicContact CZ2-CE1 4.49Å; D595-Y599 VanDerWaalsContact O-CB 3.23Å; D595-Y599 WeakPolarHBondContact O-CB 3.22Å; D595-Y599 PolarHBondContact O-N 3.45Å; M596-Y599 PolarHBondContact O-N 3.35Å; M596-Y599 HydrophobicContact SD-CD1 4.37Å; Y599-S602 PolarHBondContact O-N 3Å; Y599-T603 WeakPolarHBondContact CE2-OG1 3.3Å; Y599-T603 VanDerWaalsContact O-CB 3.3Å; Y599-T603 WeakPolarHBondContact O-CB 3.36Å; Y599-T603 PolarHBondContact O-N 3.29Å; Y599-T603 PolarHBondContact O-OG1 3.48Å
600M92.2Very high91.9Very high0 Ų046 Ų460%025%0.254CS..Hα-helixtrans-61.9-46.3175.9-74.4174.863.600111.3F558 W562 L584 F585 M596 Q597 S602 T603 L604F558-M600 HydrophobicContact CE1-SD 4.37Å; F558-M600 HydrophobicContact CE2-CE 4.31Å; F558-M600 HydrophobicContact CZ-CE 3.76Å; F558-M600 HydrophobicContact CZ-SD 3.65Å; W562-M600 HydrophobicContact CE3-CE 4.27Å; W562-M600 HydrophobicContact CH2-CG 3.98Å; W562-M600 HydrophobicContact CZ3-CE 3.89Å; W562-M600 HydrophobicContact CZ3-CG 4.05Å; L584-M600 HydrophobicContact CB-CE 3.86Å; F585-M600 HydrophobicContact CE1-CB 4.13Å; F585-M600 HydrophobicContact CZ-CB 4.11Å; M596-M600 HydrophobicContact CE-CG 4.13Å; M596-M600 HydrophobicContact CE-SD 4.01Å; M596-M600 HydrophobicContact CG-SD 4.13Å; M596-M600 WeakPolarHBondContact O-CB 3.5Å; M596-M600 VanDerWaalsContact O-CG 3.25Å; M596-M600 WeakPolarHBondContact O-CG 3.32Å; M596-M600 PolarHBondContact O-N 2.76Å; M596-M600 HydrophobicContact SD-CG 4.43Å; Q597-M600 PolarHBondContact O-N 3.39Å; M600-S602 PolarHBondContact O-N 2.9Å; M600-T603 PolarHBondContact O-N 3.07Å; M600-L604 VanDerWaalsContact O-CB 3.3Å; M600-L604 WeakPolarHBondContact O-CB 3.18Å; M600-L604 WeakPolarHBondContact O-CG 3.44Å; M600-L604 PolarHBondContact O-N 2.89Å
601T93.5Very high92.3Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-57-51.8175.6-60.60000110.6F585 Q597 H598 T603 T605 V663 A696 T699 F700F585-T601 WeakPolarHBondContact CE1-OG1 3.49Å; Q597-T601 PolarHBondContact O-N 3.29Å; Q597-T601 PolarHBondContact O-OG1 3.4Å; Q597-T601 VanDerWaalsContact O-OG1 3.05Å; H598-T601 PolarHBondContact O-N 2.99Å; T601-T603 VanDerWaalsContact C-N 3.31Å; T601-T603 PolarHBondContact O-N 3.19Å; T601-T605 HydrophobicContact CG2-CG2 4.29Å; T601-T605 WeakPolarHBondContact O-CB 3.35Å; T601-T605 WeakPolarHBondContact O-CG2 3.21Å; T601-T605 PolarHBondContact O-N 2.75Å; T601-T605 PolarHBondContact O-OG1 3.42Å; T601-V663 HydrophobicContact CG2-CG1 4.13Å; T601-A696 HydrophobicContact CG2-CB 3.79Å; T601-T699 HydrophobicContact CG2-CG2 4.29Å; T601-F700 HydrophobicContact CG2-CE2 4.46Å
602S92.7Very high92.7Very high47 Ų4742.5 Ų42.533%0.32923%0.228SC..Hα-helixtrans-60.6-40.3-179.6-62.60000112.5H598 Y599 M600 S606H598-S602 WeakPolarHBondContact O-CB 3.5Å; H598-S602 PolarHBondContact O-N 2.96Å; H598-S602 PolarHBondContact O-OG 3.31Å; H598-S602 VanDerWaalsContact O-OG 3.04Å; Y599-S602 PolarHBondContact O-N 3Å; M600-S602 PolarHBondContact O-N 2.9Å; S602-S606 PolarHBondContact O-N 2.88Å
603T90.8Very high93.1Very high43 Ų4344 Ų4426%0.26424%0.236SC..Hα-helixtrans-71.5-51.2-178.6-57.20000111.7Y599 M600 T601 S606Y599-T603 WeakPolarHBondContact CE2-OG1 3.3Å; Y599-T603 VanDerWaalsContact O-CB 3.3Å; Y599-T603 WeakPolarHBondContact O-CB 3.36Å; Y599-T603 PolarHBondContact O-N 3.29Å; Y599-T603 PolarHBondContact O-OG1 3.48Å; M600-T603 PolarHBondContact O-N 3.07Å; T601-T603 VanDerWaalsContact C-N 3.31Å; T601-T603 PolarHBondContact O-N 3.19Å; T603-S606 PolarHBondContact O-OG 2.06Å
604L89.2Confident93.3Very high47 Ų4744 Ų4425%0.24624%0.235CC..Hα-helixtrans-73-29.5-174.7-67.2175.6000112.9W562 L584 F585 M600W562-L604 HydrophobicContact CH2-CD1 4.34Å; W562-L604 HydrophobicContact CH2-CD2 4.04Å; W562-L604 HydrophobicContact CH2-CG 4.07Å; W562-L604 HydrophobicContact CZ3-CD1 4.02Å; W562-L604 HydrophobicContact CZ3-CD2 4.11Å; W562-L604 HydrophobicContact CZ3-CG 4.2Å; L584-L604 HydrophobicContact CD1-CD1 4.33Å; F585-L604 HydrophobicContact CD2-CD1 4.38Å; F585-L604 HydrophobicContact CE2-CD1 3.55Å; F585-L604 HydrophobicContact CZ-CD1 4.01Å; M600-L604 VanDerWaalsContact O-CB 3.3Å; M600-L604 WeakPolarHBondContact O-CB 3.18Å; M600-L604 WeakPolarHBondContact O-CG 3.44Å; M600-L604 PolarHBondContact O-N 2.89Å
605T91.6Very high93.4Very high0 Ų048.7 Ų48.70%026%0.259CS..Hα-helixtrans-95.20.6179.866.80000113.8T601 S607 T608 V609 I659 V663 T699T601-T605 HydrophobicContact CG2-CG2 4.29Å; T601-T605 WeakPolarHBondContact O-CB 3.35Å; T601-T605 WeakPolarHBondContact O-CG2 3.21Å; T601-T605 PolarHBondContact O-N 2.75Å; T601-T605 PolarHBondContact O-OG1 3.42Å; T605-S607 PolarHBondContact O-N 3.04Å; T605-T608 CarbonylContact O-C 3.53Å; T605-T608 WeakPolarHBondContact O-CA 3.17Å; T605-T608 VanDerWaalsContact O-CB 3.3Å; T605-T608 WeakPolarHBondContact O-CB 3.47Å; T605-T608 PolarHBondContact O-N 2.97Å; T605-V609 WeakPolarHBondContact O-CG2 3.42Å; T605-V609 PolarHBondContact O-N 3.31Å; T605-I659 HydrophobicContact CG2-CG2 4.35Å; T605-V663 HydrophobicContact CG2-CG2 3.85Å; T605-T699 WeakPolarHBondContact OG1-CG2 3.46Å
606S91.7Very high93.6Very high61 Ų6146.3 Ų46.343%0.42725%0.25SC..Hα-helixtrans-49.4-52.8-177.353.70000113.8S602 T603 T608 V609 E610S602-S606 PolarHBondContact O-N 2.88Å; T603-S606 PolarHBondContact O-OG 2.06Å; S606-T608 PolarHBondContact O-N 3.28Å; S606-V609 PolarHBondContact O-N 2.91Å; S606-E610 WeakPolarHBondContact O-CG 3.42Å; S606-E610 PolarHBondContact O-N 3.22Å
607S91.1Very high93.8Very high62 Ų6244.2 Ų44.243%0.43424%0.239SC..Hα-helixtrans-63.4-29.617762.40000113.3T605 F611T605-S607 PolarHBondContact O-N 3.04Å; S607-F611 WeakPolarHBondContact O-CB 3.38Å; S607-F611 PolarHBondContact O-N 2.94Å
608T93.7Very high93.9Very high0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-75.2-40.8177.9-61.10000111.2T605 S606 E610 F611 W612 H656 L660T605-T608 CarbonylContact O-C 3.53Å; T605-T608 WeakPolarHBondContact O-CA 3.17Å; T605-T608 VanDerWaalsContact O-CB 3.3Å; T605-T608 WeakPolarHBondContact O-CB 3.47Å; T605-T608 PolarHBondContact O-N 2.97Å; S606-T608 PolarHBondContact O-N 3.28Å; T608-E610 VanDerWaalsContact C-N 3.33Å; T608-F611 PolarHBondContact O-N 3.13Å; T608-W612 PolarHBondContact O-N 3.49Å; T608-H656 WeakPolarHBondContact CA-ND1 3.14Å; T608-H656 HydrophobicContact CG2-CB 3.93Å; T608-H656 WeakPolarHBondContact CG2-O 3.13Å; T608-H656 PolarHBondContact OG1-ND1 3.43Å; T608-L660 HydrophobicContact CG2-CD1 4.05Å; T608-L660 HydrophobicContact CG2-CD2 3.8Å; T608-L660 HydrophobicContact CG2-CG 3.7Å
609V95.2Very high94Very high20 Ų2052.4 Ų52.412%0.12128%0.276CS..Hα-helixtrans-60.2-45.5172.2170.90000110.4T605 S606 F611 W612 N613 T699 Q702 L703T605-V609 WeakPolarHBondContact O-CG2 3.42Å; T605-V609 PolarHBondContact O-N 3.31Å; S606-V609 PolarHBondContact O-N 2.91Å; V609-F611 VanDerWaalsContact C-N 3.35Å; V609-F611 PolarHBondContact O-N 2.7Å; V609-W612 PolarHBondContact O-N 3.44Å; V609-N613 WeakPolarHBondContact CG1-ND2 3.48Å; V609-N613 VanDerWaalsContact O-CB 3.32Å; V609-N613 WeakPolarHBondContact O-CB 3.47Å; V609-N613 PolarHBondContact O-N 3.22Å; V609-N613 PolarHBondContact O-ND2 2.99Å; V609-T699 HydrophobicContact CG2-CG2 3.7Å; V609-Q702 VanDerWaalsContact CG1-NE2 3.28Å; V609-L703 HydrophobicContact CB-CD2 4.48Å; V609-L703 HydrophobicContact CG1-CD2 4.37Å; V609-L703 HydrophobicContact CG2-CD1 4.05Å; V609-L703 HydrophobicContact CG2-CD2 4.38Å
610E95.3Very high94.2Very high143 Ų14347.1 Ų47.167%0.66826%0.256SS*.Hα-helixtrans-60.5-43176.2-73.8180179.200112.2S606 T608 S614S606-E610 WeakPolarHBondContact O-CG 3.42Å; S606-E610 PolarHBondContact O-N 3.22Å; T608-E610 VanDerWaalsContact C-N 3.33Å; E610-S614 WeakPolarHBondContact O-CB 3.15Å; E610-S614 PolarHBondContact O-N 3.43Å
611F95.6Very high94.4Very high19 Ų1947.3 Ų47.38%0.08326%0.257CS..Hα-helixtrans-58.7-55.2176.7171.9-97.4000111.8S607 T608 V609 N613 S614 I617 Q652 F653 H656S607-F611 WeakPolarHBondContact O-CB 3.38Å; S607-F611 PolarHBondContact O-N 2.94Å; T608-F611 PolarHBondContact O-N 3.13Å; V609-F611 VanDerWaalsContact C-N 3.35Å; V609-F611 PolarHBondContact O-N 2.7Å; F611-N613 VanDerWaalsContact C-N 3.34Å; F611-N613 PolarHBondContact O-N 3.49Å; F611-S614 WeakPolarHBondContact O-CB 3.32Å; F611-S614 PolarHBondContact O-N 2.9Å; F611-S614 VanDerWaalsContact O-N 3.16Å; F611-S614 PolarHBondContact O-OG 2.83Å; F611-I617 HydrophobicContact CD2-CD1 4.26Å; F611-I617 HydrophobicContact CD2-CG1 4.03Å; F611-I617 HydrophobicContact CE1-CD1 4.27Å; F611-I617 HydrophobicContact CE1-CG1 4.29Å; F611-I617 HydrophobicContact CE1-CG2 4.12Å; F611-I617 HydrophobicContact CE2-CD1 3.46Å; F611-I617 VanDerWaalsContact CE2-CD1 3.46Å; F611-I617 HydrophobicContact CE2-CG1 3.73Å; F611-I617 HydrophobicContact CG-CG1 4.44Å; F611-I617 HydrophobicContact CZ-CD1 3.47Å; F611-I617 VanDerWaalsContact CZ-CD1 3.47Å; F611-I617 HydrophobicContact CZ-CG1 3.87Å; F611-I617 HydrophobicContact CZ-CG2 4.36Å; F611-I617 WeakPolarHBondContact O-CB 3.09Å; F611-I617 WeakPolarHBondContact O-CG1 3.49Å; F611-Q652 HydrophobicContact CE2-CB 3.78Å; F611-Q652 HydrophobicContact CZ-CB 4.17Å; F611-F653 HydrophobicContact CE1-CD1 4.45Å; F611-F653 HydrophobicContact CE1-CE1 4.5Å; F611-F653 HydrophobicContact CZ-CD1 4.38Å; F611-F653 HydrophobicContact CZ-CD2 4.17Å; F611-F653 HydrophobicContact CZ-CE1 4.43Å; F611-F653 HydrophobicContact CZ-CE2 4.21Å; F611-F653 HydrophobicContact CZ-CG 4.26Å; F611-F653 HydrophobicContact CZ-CZ 4.34Å; F611-H656 HydrophobicContact CD1-CB 3.72Å; F611-H656 AromaticContact CD1-CD2 3.45Å; F611-H656 VanDerWaalsContact CD1-CD2 3.45Å; F611-H656 WeakPolarHBondContact CD1-CD2 3.42Å; F611-H656 AromaticContact CD1-CG 3.66Å; F611-H656 AromaticContact CD2-CD2 3.52Å; F611-H656 AromaticContact CD2-NE2 3.81Å; F611-H656 HydrophobicContact CE1-CB 3.98Å; F611-H656 AromaticContact CE1-CD2 3.87Å; F611-H656 AromaticContact CE2-CD2 3.93Å; F611-H656 HydrophobicContact CG-CB 4.39Å; F611-H656 AromaticContact CG-CD2 3.26Å; F611-H656 WeakPolarHBondContact CG-CD2 3.32Å; F611-H656 AromaticContact CG-CG 3.82Å; F611-H656 AromaticContact CG-NE2 3.66Å
612W96.4Very high94.5Very high1 Ų150.6 Ų50.60%0.00428%0.281CS..Hα-helixtrans-67.1-32.2-175.8-78.8109.2000113.5T608 V609 S614 I617 V618 V621 F653 L703 A706 F710T608-W612 PolarHBondContact O-N 3.49Å; V609-W612 PolarHBondContact O-N 3.44Å; W612-S614 VanDerWaalsContact C-N 3.34Å; W612-I617 HydrophobicContact CE3-CG2 4.05Å; W612-I617 HydrophobicContact CZ3-CG2 4.48Å; W612-V618 WeakPolarHBondContact O-CG2 3.37Å; W612-V621 HydrophobicContact CZ3-CG1 4.19Å; W612-F653 HydrophobicContact CH2-CD1 4.21Å; W612-F653 HydrophobicContact CH2-CE1 4.14Å; W612-F653 HydrophobicContact CZ3-CE1 4.28Å; W612-L703 HydrophobicContact CB-CD2 3.86Å; W612-A706 HydrophobicContact CE3-CB 4.03Å; W612-F710 HydrophobicContact CH2-CB 4.18Å; W612-F710 AromaticContact CH2-CD1 3.6Å; W612-F710 HydrophobicContact CH2-CD1 3.6Å; W612-F710 HydrophobicContact CH2-CE1 4.16Å; W612-F710 AromaticContact CH2-CG 3.98Å; W612-F710 HydrophobicContact CH2-CG 3.98Å; W612-F710 HydrophobicContact CZ3-CB 4.11Å; W612-F710 HydrophobicContact CZ3-CD1 4.34Å; W612-F710 HydrophobicContact CZ3-CG 4.28Å
613N94.9Very high94.6Very high76 Ų7650.4 Ų50.441%0.40628%0.279SS..Hα-helixtrans-84.2-7.6176.5-73.9-29.2000113.6V609 F611V609-N613 WeakPolarHBondContact CG1-ND2 3.48Å; V609-N613 VanDerWaalsContact O-CB 3.32Å; V609-N613 WeakPolarHBondContact O-CB 3.47Å; V609-N613 PolarHBondContact O-N 3.22Å; V609-N613 PolarHBondContact O-ND2 2.99Å; F611-N613 VanDerWaalsContact C-N 3.34Å; F611-N613 PolarHBondContact O-N 3.49Å
614S96Very high94.9Very high38 Ų3848.5 Ų48.527%0.26627%0.268SS..SBendtrans-66.8138.1179.473.90000111.3E610 F611 W612 P616 I617 V618E610-S614 WeakPolarHBondContact O-CB 3.15Å; E610-S614 PolarHBondContact O-N 3.43Å; F611-S614 WeakPolarHBondContact O-CB 3.32Å; F611-S614 PolarHBondContact O-N 2.9Å; F611-S614 VanDerWaalsContact O-N 3.16Å; F611-S614 PolarHBondContact O-OG 2.83Å; W612-S614 VanDerWaalsContact C-N 3.34Å; S614-P616 VanDerWaalsContact C-CD 3.42Å; S614-P616 VanDerWaalsContact C-N 3.35Å; S614-I617 PolarHBondContact O-N 3.21Å; S614-I617 WeakPolarHBondContact OG-CG1 3.1Å; S614-V618 PolarHBondContact O-N 3.49Å
615E96.1Very high95.3Very high133 Ų13349.1 Ų49.162%0.62127%0.269SS*.Hα-helixtrans-56.7-38.2-176.7-174162.5164.800114.6I617 R619E615-I617 VanDerWaalsContact C-N 3.28Å; E615-I617 PolarHBondContact O-N 3.31Å; E615-R619 WeakPolarHBondContact O-CB 3.29Å; E615-R619 PolarHBondContact O-N 3.38Å; E615-R619 IonicContact OE1-NH2 2.81Å; E615-R619 PolarHBondContact OE1-NH2 3.13Å
616P96.2Very high95.5Very high72 Ų7251.5 Ų51.547%0.46828%0.282SS..Hα-helixtrans-59.3-37.6174-24.235000113.2S614 A620 Y630S614-P616 VanDerWaalsContact C-CD 3.42Å; S614-P616 VanDerWaalsContact C-N 3.35Å; P616-A620 WeakPolarHBondContact O-CB 3.49Å; P616-A620 PolarHBondContact O-N 3.4Å; P616-Y630 HydrophobicContact CB-CE2 4.03Å
617I96.6Very high95.8Very high1 Ų148.6 Ų48.61%0.00526%0.262CS..Hα-helixtrans-77.8-45.5-178-62.2-58.4000110.9F611 W612 S614 E615 R619 A620 V621 Y630 F653F611-I617 HydrophobicContact CD2-CD1 4.26Å; F611-I617 HydrophobicContact CD2-CG1 4.03Å; F611-I617 HydrophobicContact CE1-CD1 4.27Å; F611-I617 HydrophobicContact CE1-CG1 4.29Å; F611-I617 HydrophobicContact CE1-CG2 4.12Å; F611-I617 HydrophobicContact CE2-CD1 3.46Å; F611-I617 VanDerWaalsContact CE2-CD1 3.46Å; F611-I617 HydrophobicContact CE2-CG1 3.73Å; F611-I617 HydrophobicContact CG-CG1 4.44Å; F611-I617 HydrophobicContact CZ-CD1 3.47Å; F611-I617 VanDerWaalsContact CZ-CD1 3.47Å; F611-I617 HydrophobicContact CZ-CG1 3.87Å; F611-I617 HydrophobicContact CZ-CG2 4.36Å; F611-I617 WeakPolarHBondContact O-CB 3.09Å; F611-I617 WeakPolarHBondContact O-CG1 3.49Å; W612-I617 HydrophobicContact CE3-CG2 4.05Å; W612-I617 HydrophobicContact CZ3-CG2 4.48Å; S614-I617 PolarHBondContact O-N 3.21Å; S614-I617 WeakPolarHBondContact OG-CG1 3.1Å; E615-I617 VanDerWaalsContact C-N 3.28Å; E615-I617 PolarHBondContact O-N 3.31Å; I617-R619 PolarHBondContact O-N 2.92Å; I617-A620 WeakPolarHBondContact O-CA 3.47Å; I617-A620 WeakPolarHBondContact O-CB 3.37Å; I617-A620 PolarHBondContact O-N 2.93Å; I617-V621 WeakPolarHBondContact O-CG2 3.37Å; I617-V621 PolarHBondContact O-N 2.82Å; I617-Y630 HydrophobicContact CD1-CE1 3.72Å; I617-Y630 WeakPolarHBondContact CD1-OH 3.37Å; I617-F653 HydrophobicContact CD1-CE2 3.94Å; I617-F653 HydrophobicContact CD1-CZ 3.93Å; I617-F653 HydrophobicContact CG2-CZ 4.27Å
618V95.8Very high96.1Very high75 Ų7545.7 Ų45.746%0.45524%0.241SC..Hα-helixtrans-55.3-40.1173.8175.80000110.9W612 S614 S622W612-V618 WeakPolarHBondContact O-CG2 3.37Å; S614-V618 PolarHBondContact O-N 3.49Å; V618-S622 PolarHBondContact O-N 3.46Å
619R96.5Very high96.2Very high149 Ų14950.3 Ų50.356%0.56226%0.263SS*.Hα-helixtrans-68.5-43.2174.2-169.4178.3-59.7172.14.3112.1E615 I617 V621 S622E615-R619 WeakPolarHBondContact O-CB 3.29Å; E615-R619 PolarHBondContact O-N 3.38Å; E615-R619 IonicContact OE1-NH2 2.81Å; E615-R619 PolarHBondContact OE1-NH2 3.13Å; I617-R619 PolarHBondContact O-N 2.92Å; R619-V621 PolarHBondContact O-N 2.88Å; R619-S622 WeakPolarHBondContact O-CB 3.49Å; R619-S622 PolarHBondContact O-N 2.94Å; R619-S622 PolarHBondContact O-OG 2.59Å
620A97Very high96.3Very high3 Ų351.4 Ų51.43%0.02527%0.265CS..Hα-helixtrans-59.6-44.3179.100000111.9P616 I617 S622 N626 F627 Y630P616-A620 WeakPolarHBondContact O-CB 3.49Å; P616-A620 PolarHBondContact O-N 3.4Å; I617-A620 WeakPolarHBondContact O-CA 3.47Å; I617-A620 WeakPolarHBondContact O-CB 3.37Å; I617-A620 PolarHBondContact O-N 2.93Å; A620-S622 VanDerWaalsContact C-N 3.27Å; A620-S622 PolarHBondContact O-N 3.44Å; A620-N626 CarbonylContact O-C 3.51Å; A620-F627 VanDerWaalsContact O-CA 3.28Å; A620-F627 WeakPolarHBondContact O-CA 3.49Å; A620-F627 WeakPolarHBondContact O-CB 3.39Å; A620-F627 PolarHBondContact O-N 3.1Å; A620-Y630 HydrophobicContact CB-CD1 4.03Å; A620-Y630 HydrophobicContact CB-CD2 4.08Å; A620-Y630 HydrophobicContact CB-CG 3.66Å
621V96.7Very high96.3Very high3 Ų344.6 Ų44.62%0.01823%0.233CC..THydrogen-bonded Turntrans-8712.8-176.9-53.70000114.4W612 I617 R619 F653 S709 F710 C713W612-V621 HydrophobicContact CZ3-CG1 4.19Å; I617-V621 WeakPolarHBondContact O-CG2 3.37Å; I617-V621 PolarHBondContact O-N 2.82Å; R619-V621 PolarHBondContact O-N 2.88Å; V621-F653 HydrophobicContact CG1-CE1 3.84Å; V621-F653 HydrophobicContact CG1-CZ 4.05Å; V621-S709 PolarHBondContact O-OG 3.24Å; V621-F710 HydrophobicContact CB-CB 4.21Å; V621-F710 HydrophobicContact CB-CD2 4.42Å; V621-F710 HydrophobicContact CG1-CB 4.05Å; V621-F710 HydrophobicContact CG1-CD2 3.71Å; V621-F710 HydrophobicContact CG1-CG 4.13Å; V621-C713 PolarHBondContact O-SG 3.37Å
622S95.3Very high96.2Very high70 Ų7043.7 Ų43.749%0.4923%0.229SC..THydrogen-bonded Turntrans-82.2-21.7177.664.20000113.6V618 R619 A620 N626V618-S622 PolarHBondContact O-N 3.46Å; R619-S622 WeakPolarHBondContact O-CB 3.49Å; R619-S622 PolarHBondContact O-N 2.94Å; R619-S622 PolarHBondContact O-OG 2.59Å; A620-S622 VanDerWaalsContact C-N 3.27Å; A620-S622 PolarHBondContact O-N 3.44Å; S622-N626 PolarHBondContact OG-ND2 3.42Å
623S96.2Very high96.2Very high42 Ų4243.6 Ų43.629%0.29423%0.229SC..SBendtrans-157.1153.417577.60000110.4E625 N626 F627S623-E625 PolarHBondContact O-N 3.06Å; S623-N626 PolarHBondContact O-N 3.45Å; S623-N626 WeakPolarHBondContact OG-CB 3.31Å; S623-N626 PolarHBondContact OG-N 2.75Å; S623-N626 VanDerWaalsContact OG-N 3.13Å; S623-N626 PolarHBondContact OG-ND2 3.12Å; S623-F627 PolarHBondContact O-N 2.96Å
624S96.9Very high96.1Very high4 Ų442 Ų423%0.02822%0.218CC..Hα-helixtrans-56.5-38.9176.7-54.80000111.8F627 L628 C713 G716S624-F627 PolarHBondContact O-N 2.9Å; S624-L628 WeakPolarHBondContact O-CG 3.19Å; S624-L628 PolarHBondContact O-N 3.11Å; S624-C713 WeakPolarHBondContact CB-O 3.33Å; S624-C713 WeakPolarHBondContact OG-CA 3.22Å; S624-C713 PolarHBondContact OG-O 3.44Å; S624-G716 VanDerWaalsContact OG-C 3.29Å; S624-G716 VanDerWaalsContact OG-CA 3.28Å; S624-G716 WeakPolarHBondContact OG-CA 3.5Å
625E96.6Very high96Very high59 Ų5943 Ų4328%0.27622%0.219SC..Hα-helixtrans-63.9-47.3178.8-172.5179.7137.200112.2S623 F627 L628 E629 F634 K725S623-E625 PolarHBondContact O-N 3.06Å; E625-F627 VanDerWaalsContact C-N 3.26Å; E625-F627 PolarHBondContact O-N 2.82Å; E625-L628 PolarHBondContact O-N 3.29Å; E625-E629 PolarHBondContact O-N 3.15Å; E625-F634 HydrophobicContact CG-CE2 3.83Å; E625-F634 HydrophobicContact CG-CZ 3.94Å; E625-F634 WeakPolarHBondContact O-CE2 3.05Å; E625-K725 HydrophobicContact CG-CD 4.29Å; E625-K725 IonicContact OE1-NZ 3.75Å; E625-K725 PolarHBondContact OE1-NZ 3.36Å; E625-K725 IonicContact OE2-NZ 2.96Å; E625-K725 PolarHBondContact OE2-NZ 3.48Å
626N97Very high95.7Very high51 Ų5140.5 Ų40.527%0.27321%0.214SC..Hα-helixtrans-62.5-37.3178.8-70-12.7000111.3A620 S622 S623 Y630A620-N626 CarbonylContact O-C 3.51Å; S622-N626 PolarHBondContact OG-ND2 3.42Å; S623-N626 PolarHBondContact O-N 3.45Å; S623-N626 WeakPolarHBondContact OG-CB 3.31Å; S623-N626 PolarHBondContact OG-N 2.75Å; S623-N626 VanDerWaalsContact OG-N 3.13Å; S623-N626 PolarHBondContact OG-ND2 3.12Å; N626-Y630 WeakPolarHBondContact O-CB 3.32Å; N626-Y630 PolarHBondContact O-N 2.82Å
627F97.6Very high95.2Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-63.9-49.1176.8174.2-115000111.1A620 S623 S624 E625 E629 Y630 I631 F653 F710 C713 L714 I717 F775 F776A620-F627 VanDerWaalsContact O-CA 3.28Å; A620-F627 WeakPolarHBondContact O-CA 3.49Å; A620-F627 WeakPolarHBondContact O-CB 3.39Å; A620-F627 PolarHBondContact O-N 3.1Å; S623-F627 PolarHBondContact O-N 2.96Å; S624-F627 PolarHBondContact O-N 2.9Å; E625-F627 VanDerWaalsContact C-N 3.26Å; E625-F627 PolarHBondContact O-N 2.82Å; F627-E629 VanDerWaalsContact C-N 3.32Å; F627-E629 PolarHBondContact O-N 2.67Å; F627-Y630 PolarHBondContact O-N 3.34Å; F627-Y630 VanDerWaalsContact O-N 3.13Å; F627-I631 HydrophobicContact CD2-CG2 4.05Å; F627-I631 HydrophobicContact CE1-CD1 4Å; F627-I631 HydrophobicContact CE2-CG2 3.51Å; F627-I631 HydrophobicContact CZ-CD1 4.12Å; F627-I631 HydrophobicContact CZ-CG2 3.81Å; F627-I631 WeakPolarHBondContact O-CG1 3.49Å; F627-I631 PolarHBondContact O-N 3.32Å; F627-F653 HydrophobicContact CD2-CE1 4.49Å; F627-F653 HydrophobicContact CD2-CE2 4.37Å; F627-F653 HydrophobicContact CD2-CZ 4.11Å; F627-F653 HydrophobicContact CE2-CD1 4.25Å; F627-F653 HydrophobicContact CE2-CD2 4.1Å; F627-F653 HydrophobicContact CE2-CE1 4.05Å; F627-F653 AromaticContact CE2-CE2 3.9Å; F627-F653 HydrophobicContact CE2-CE2 3.9Å; F627-F653 HydrophobicContact CE2-CG 4.28Å; F627-F653 AromaticContact CE2-CZ 3.87Å; F627-F653 HydrophobicContact CE2-CZ 3.87Å; F627-F710 HydrophobicContact CD1-CE2 4.47Å; F627-F710 AromaticContact CD2-CE2 3.88Å; F627-F710 HydrophobicContact CD2-CE2 3.88Å; F627-F710 HydrophobicContact CE1-CE2 4.09Å; F627-F710 HydrophobicContact CE2-CD2 4.44Å; F627-F710 AromaticContact CE2-CE2 3.45Å; F627-F710 HydrophobicContact CE2-CE2 3.45Å; F627-F710 VanDerWaalsContact CE2-CE2 3.45Å; F627-F710 HydrophobicContact CE2-CZ 4.07Å; F627-F710 HydrophobicContact CG-CE2 4.37Å; F627-F710 AromaticContact CZ-CE2 3.56Å; F627-F710 HydrophobicContact CZ-CE2 3.56Å; F627-F710 AromaticContact CZ-CZ 3.97Å; F627-F710 HydrophobicContact CZ-CZ 3.97Å; F627-C713 HydrophobicContact CB-CB 4.49Å; F627-L714 HydrophobicContact CD1-CD2 4.49Å; F627-L714 HydrophobicContact CE1-CD2 3.79Å; F627-L714 HydrophobicContact CZ-CD2 4.26Å; F627-I717 HydrophobicContact CD1-CG2 4.5Å; F627-F775 HydrophobicContact CZ-CE1 4.13Å; F627-F775 AromaticContact CZ-CZ 3.98Å; F627-F775 HydrophobicContact CZ-CZ 3.98Å; F627-F776 HydrophobicContact CE1-CE1 4.08Å
628L96.8Very high94.6Very high0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-62.6-38179.3-65.6-172.5000112.7S624 E625 I631 G632 L633 F634 I717 C722 F776S624-L628 WeakPolarHBondContact O-CG 3.19Å; S624-L628 PolarHBondContact O-N 3.11Å; E625-L628 PolarHBondContact O-N 3.29Å; L628-I631 HydrophobicContact CD2-CD1 4.13Å; L628-I631 WeakPolarHBondContact O-CG1 3.1Å; L628-G632 PolarHBondContact O-N 3.44Å; L628-L633 HydrophobicContact CD2-CD1 3.86Å; L628-L633 PolarHBondContact O-N 3.41Å; L628-F634 HydrophobicContact CB-CE1 3.72Å; L628-F634 HydrophobicContact CB-CE2 4.5Å; L628-F634 HydrophobicContact CB-CZ 3.68Å; L628-F634 HydrophobicContact CD1-CE1 4.23Å; L628-F634 HydrophobicContact CD1-CZ 4.44Å; L628-I717 HydrophobicContact CD2-CB 4.34Å; L628-I717 HydrophobicContact CD2-CG2 4.02Å; L628-C722 HydrophobicContact CD1-CB 3.62Å; L628-F776 HydrophobicContact CD2-CE1 4.11Å; L628-F776 HydrophobicContact CD2-CZ 3.75Å
629E96Very high93.6Very high97 Ų9745 Ų4545%0.45324%0.24SC..Hα-helixtrans-62-46.1172.5-172.6178.9-171.300111.2E625 F627 I631 G632 F634E625-E629 PolarHBondContact O-N 3.15Å; F627-E629 VanDerWaalsContact C-N 3.32Å; F627-E629 PolarHBondContact O-N 2.67Å; E629-I631 PolarHBondContact O-N 2.98Å; E629-G632 PolarHBondContact O-N 2.88Å; E629-G632 VanDerWaalsContact O-N 3.16Å; E629-F634 HydrophobicContact CB-CD2 3.57Å; E629-F634 HydrophobicContact CB-CE2 3.68Å; E629-F634 HydrophobicContact CG-CD2 3.94Å; E629-F634 HydrophobicContact CG-CE2 4.47Å
630Y96.8Very high92.6Very high43 Ų4342.1 Ų42.117%0.16924%0.236CC..Hα-helixtrans-63.6-41.2-177.8-176.6-94.4000112.4P616 I617 A620 N626 F627 G632 R649 F653P616-Y630 HydrophobicContact CB-CE2 4.03Å; I617-Y630 HydrophobicContact CD1-CE1 3.72Å; I617-Y630 WeakPolarHBondContact CD1-OH 3.37Å; A620-Y630 HydrophobicContact CB-CD1 4.03Å; A620-Y630 HydrophobicContact CB-CD2 4.08Å; A620-Y630 HydrophobicContact CB-CG 3.66Å; N626-Y630 WeakPolarHBondContact O-CB 3.32Å; N626-Y630 PolarHBondContact O-N 2.82Å; F627-Y630 PolarHBondContact O-N 3.34Å; F627-Y630 VanDerWaalsContact O-N 3.13Å; Y630-G632 PolarHBondContact O-N 3.23Å; Y630-R649 HydrophobicContact CE1-CB 3.98Å; Y630-R649 HydrophobicContact CE1-CG 3.75Å; Y630-R649 WeakPolarHBondContact O-CD 3.49Å; Y630-R649 PolarHBondContact O-NH1 3.39Å; Y630-F653 AromaticContact CD1-CE2 3.87Å; Y630-F653 HydrophobicContact CD1-CE2 3.87Å; Y630-F653 AromaticContact CE1-CE2 3.8Å; Y630-F653 HydrophobicContact CE1-CE2 3.8Å
631I95.6Very high91.1Very high0 Ų046.7 Ų46.70%027%0.268CS..THydrogen-bonded Turntrans-80.72.6178.368.1167.6000113.8F627 L628 E629 L633 F646 R650 F653 F775 F776F627-I631 HydrophobicContact CD2-CG2 4.05Å; F627-I631 HydrophobicContact CE1-CD1 4Å; F627-I631 HydrophobicContact CE2-CG2 3.51Å; F627-I631 HydrophobicContact CZ-CD1 4.12Å; F627-I631 HydrophobicContact CZ-CG2 3.81Å; F627-I631 WeakPolarHBondContact O-CG1 3.49Å; F627-I631 PolarHBondContact O-N 3.32Å; L628-I631 HydrophobicContact CD2-CD1 4.13Å; L628-I631 WeakPolarHBondContact O-CG1 3.1Å; E629-I631 PolarHBondContact O-N 2.98Å; I631-L633 HydrophobicContact CD1-CD1 4.15Å; I631-L633 HydrophobicContact CD1-CG 4.23Å; I631-L633 HydrophobicContact CG1-CG 4.29Å; I631-F646 WeakPolarHBondContact O-CB 3.3Å; I631-R650 HydrophobicContact CB-CG 3.99Å; I631-R650 HydrophobicContact CG2-CG 4.32Å; I631-R650 PolarHBondContact O-NH1 2.91Å; I631-F653 HydrophobicContact CG2-CD2 4.48Å; I631-F775 HydrophobicContact CD1-CE1 3.9Å; I631-F776 HydrophobicContact CD1-CE1 4.21Å; I631-F776 HydrophobicContact CD1-CE2 4.48Å; I631-F776 HydrophobicContact CD1-CZ 3.69Å
632G94.1Very high89.6Confident0 Ų051.2 Ų51.20%031%0.305CS..THydrogen-bonded Turntrans93.115.4167.400000116.7L628 E629 Y630 Q635 F646 Y730L628-G632 PolarHBondContact O-N 3.44Å; E629-G632 PolarHBondContact O-N 2.88Å; E629-G632 VanDerWaalsContact O-N 3.16Å; Y630-G632 PolarHBondContact O-N 3.23Å; G632-Q635 PolarHBondContact O-OE1 3.19Å; G632-F646 VanDerWaalsContact CA-CE1 3.48Å; G632-Y730 PolarHBondContact O-OH 3.27Å
633L94.7Very high88.2Confident0 Ų051.4 Ų51.40%031%0.306CS..SBendtrans-80.2-16-174.8-78.1-171.9000114.6L628 I631 H727 Y730 V735 L736 V772 F776L628-L633 HydrophobicContact CD2-CD1 3.86Å; L628-L633 PolarHBondContact O-N 3.41Å; I631-L633 HydrophobicContact CD1-CD1 4.15Å; I631-L633 HydrophobicContact CD1-CG 4.23Å; I631-L633 HydrophobicContact CG1-CG 4.29Å; L633-H727 PolarHBondContact O-N 3.03Å; L633-Y730 HydrophobicContact CD2-CD1 3.99Å; L633-Y730 HydrophobicContact CD2-CD2 3.84Å; L633-Y730 HydrophobicContact CD2-CE1 3.93Å; L633-Y730 HydrophobicContact CD2-CE2 3.76Å; L633-Y730 HydrophobicContact CD2-CG 3.95Å; L633-V735 HydrophobicContact CD1-CG1 4.46Å; L633-L736 HydrophobicContact CD1-CD2 4.36Å; L633-V772 HydrophobicContact CD2-CG1 3.99Å; L633-F776 HydrophobicContact CD1-CE2 3.84Å; L633-F776 HydrophobicContact CD1-CZ 3.76Å
634F94.7Very high87.5Confident42 Ų4250.1 Ų50.118%0.18430%0.296CS..SBendtrans-89.4-10177.8-59-15.2000112.3E625 L628 E629 K725E625-F634 HydrophobicContact CG-CE2 3.83Å; E625-F634 HydrophobicContact CG-CZ 3.94Å; E625-F634 WeakPolarHBondContact O-CE2 3.05Å; L628-F634 HydrophobicContact CB-CE1 3.72Å; L628-F634 HydrophobicContact CB-CE2 4.5Å; L628-F634 HydrophobicContact CB-CZ 3.68Å; L628-F634 HydrophobicContact CD1-CE1 4.23Å; L628-F634 HydrophobicContact CD1-CZ 4.44Å; E629-F634 HydrophobicContact CB-CD2 3.57Å; E629-F634 HydrophobicContact CB-CE2 3.68Å; E629-F634 HydrophobicContact CG-CD2 3.94Å; E629-F634 HydrophobicContact CG-CE2 4.47Å; F634-K725 VanDerWaalsContact CD1-C 3.49Å; F634-K725 HydrophobicContact CD1-CB 3.62Å; F634-K725 WeakPolarHBondContact CD1-O 3.35Å; F634-K725 HydrophobicContact CD2-CB 4.32Å; F634-K725 HydrophobicContact CE1-CB 3.43Å; F634-K725 VanDerWaalsContact CE1-CB 3.43Å; F634-K725 HydrophobicContact CE2-CB 4.16Å; F634-K725 HydrophobicContact CE2-CD 4.13Å; F634-K725 HydrophobicContact CG-CB 4.09Å; F634-K725 HydrophobicContact CZ-CB 3.73Å; F634-K725 HydrophobicContact CZ-CD 4.16Å
635Q92Very high87Confident59 Ų5955.1 Ų55.128%0.27632%0.321SS..SBendtrans-98.8154.5175.7-60.983.33.500110.5G632 F646 H727 Y730G632-Q635 PolarHBondContact O-OE1 3.19Å; Q635-F646 HydrophobicContact CB-CE2 4.23Å; Q635-F646 HydrophobicContact CB-CZ 4.37Å; Q635-F646 HydrophobicContact CG-CE2 4.47Å; Q635-F646 HydrophobicContact CG-CZ 4.13Å; Q635-H727 WeakPolarHBondContact O-CB 3.4Å; Q635-Y730 VanDerWaalsContact O-CE2 3.27Å; Q635-Y730 WeakPolarHBondContact O-CE2 3.46Å
636P90.2Very high86.8Confident80 Ų8053.8 Ų53.852%0.51931%0.314SS..PPolyproline II helixtrans-62.1151173.125.6-34.3000112C638P636-C638 PolarHBondContact O-N 3.43Å
637I86.8Confident86.4Confident45 Ų4553.6 Ų53.623%0.23132%0.315CS..PPolyproline II helixtrans-53.2129.4173.7-71.4175.1000109.9T639 S729 Y730 V768I637-T639 PolarHBondContact O-N 3.05Å; I637-S729 WeakPolarHBondContact CD1-O 3.39Å; I637-S729 PolarHBondContact N-OG 3.38Å; I637-Y730 HydrophobicContact CD1-CD1 3.74Å; I637-Y730 HydrophobicContact CD1-CE1 4.01Å; I637-Y730 HydrophobicContact CD1-CG 4.2Å; I637-Y730 HydrophobicContact CG1-CD1 3.6Å; I637-Y730 HydrophobicContact CG1-CD2 4.24Å; I637-Y730 HydrophobicContact CG1-CE1 3.4Å; I637-Y730 VanDerWaalsContact CG1-CE1 3.4Å; I637-Y730 HydrophobicContact CG1-CE2 4.07Å; I637-Y730 HydrophobicContact CG1-CG 4.02Å; I637-V768 HydrophobicContact CD1-CB 4.16Å; I637-V768 HydrophobicContact CD1-CG1 4.03Å; I637-V768 HydrophobicContact CG1-CG1 4.19Å; I637-V768 HydrophobicContact CG2-CB 4.4Å; I637-V768 HydrophobicContact CG2-CG1 4.13Å; I637-V768 HydrophobicContact CG2-CG2 4.18Å
638C82.7Confident86Confident47 Ų4756 Ų5632%0.31833%0.334SS..PPolyproline II helixtrans-72127.8173.6-166.90000110P636 N640 D644P636-C638 PolarHBondContact O-N 3.43Å; C638-N640 PolarHBondContact O-N 3.39Å; C638-D644 HydrophobicContact CB-CB 4.03Å
639T75.2Confident85.9Confident150 Ų15059 Ų5992%0.9235%0.345SS*.SBendtrans-75.9-12178.752.20000113.4I637I637-T639 PolarHBondContact O-N 3.05Å
640N76Confident85.8Confident90 Ų9055.1 Ų55.148%0.48133%0.327SS..  trans-117.895.2-179.6-169.63.4000111.2C638 A642 S643 D644C638-N640 PolarHBondContact O-N 3.39Å; N640-A642 PolarHBondContact O-N 3.42Å; N640-S643 PolarHBondContact O-N 2.77Å; N640-S643 VanDerWaalsContact O-N 3.15Å; N640-S643 PolarHBondContact O-OG 2.91Å; N640-S643 VanDerWaalsContact O-OG 3.09Å; N640-D644 PolarHBondContact O-N 2.89Å
641S65.9Low85.5Confident99 Ų9959 Ų5969%0.69234%0.344SS*.G310 helixtrans-59.2-30-175.258.50000114S643 D644S641-S643 VanDerWaalsContact C-N 3.26Å; S641-S643 PolarHBondContact O-N 3.47Å; S641-D644 PolarHBondContact O-N 3.18Å
642A65.3Low85.4Confident97 Ų9762.9 Ų62.980%0.80236%0.362SS*.G310 helixtrans-70.4-22-17900000113.4N640N640-A642 PolarHBondContact O-N 3.42Å
643S65.7Low85.5Confident74 Ų7462.9 Ų62.952%0.51736%0.362SS..G310 helixtrans-108.53.1178.655.60000113.6N640 S641 M645N640-S643 PolarHBondContact O-N 2.77Å; N640-S643 VanDerWaalsContact O-N 3.15Å; N640-S643 PolarHBondContact O-OG 2.91Å; N640-S643 VanDerWaalsContact O-OG 3.09Å; S641-S643 VanDerWaalsContact C-N 3.26Å; S641-S643 PolarHBondContact O-N 3.47Å; S643-M645 PolarHBondContact O-N 2.89Å
644D80.4Confident85.4Confident15 Ų1564.5 Ų64.58%0.0837%0.371CS..  trans-76.396.7-175-170.2-6.2000111.1C638 N640 S641 F646 V647C638-D644 HydrophobicContact CB-CB 4.03Å; N640-D644 PolarHBondContact O-N 2.89Å; S641-D644 PolarHBondContact O-N 3.18Å; D644-F646 PolarHBondContact O-N 3.29Å; D644-F646 VanDerWaalsContact O-N 3.14Å; D644-F646 VanDerWaalsContact OD1-CB 3.25Å; D644-F646 WeakPolarHBondContact OD1-CB 3.46Å; D644-F646 VanDerWaalsContact OD1-CD2 3.29Å; D644-F646 WeakPolarHBondContact OD1-CD2 3.5Å; D644-F646 PolarHBondContact OD1-N 2.97Å; D644-V647 HydrophobicContact CB-CB 4.43Å; D644-V647 HydrophobicContact CB-CG2 3.96Å; D644-V647 PolarHBondContact O-N 2.97Å; D644-V647 WeakPolarHBondContact OD2-CG2 3.33Å
645M87.7Confident85.3Confident110 Ų11063.5 Ų63.554%0.54237%0.367SS..Hα-helixtrans-58.2-24.8176.571.7175.272.900112.9S643 A648 R649S643-M645 PolarHBondContact O-N 2.89Å; M645-A648 PolarHBondContact O-N 3.41Å; M645-R649 WeakPolarHBondContact O-CG 3.3Å; M645-R649 PolarHBondContact O-N 3.4Å
646F91.2Very high85.4Confident31 Ų3161.5 Ų61.514%0.13636%0.358CS..Hα-helixtrans-75.7-32.9-178-57-58.4000111.9I631 G632 Q635 D644 A648 R649 R650I631-F646 WeakPolarHBondContact O-CB 3.3Å; G632-F646 VanDerWaalsContact CA-CE1 3.48Å; Q635-F646 HydrophobicContact CB-CE2 4.23Å; Q635-F646 HydrophobicContact CB-CZ 4.37Å; Q635-F646 HydrophobicContact CG-CE2 4.47Å; Q635-F646 HydrophobicContact CG-CZ 4.13Å; D644-F646 PolarHBondContact O-N 3.29Å; D644-F646 VanDerWaalsContact O-N 3.14Å; D644-F646 VanDerWaalsContact OD1-CB 3.25Å; D644-F646 WeakPolarHBondContact OD1-CB 3.46Å; D644-F646 VanDerWaalsContact OD1-CD2 3.29Å; D644-F646 WeakPolarHBondContact OD1-CD2 3.5Å; D644-F646 PolarHBondContact OD1-N 2.97Å; F646-A648 VanDerWaalsContact C-N 3.31Å; F646-R649 PolarHBondContact O-N 3.29Å; F646-R650 WeakPolarHBondContact O-CG 3.4Å; F646-R650 PolarHBondContact O-N 2.69Å
647V89.8Confident85.6Confident47 Ų4757.7 Ų57.729%0.28533%0.333SS..Hα-helixtrans-61.2-44.1169.81750000109.9D644 R650 K651D644-V647 HydrophobicContact CB-CB 4.43Å; D644-V647 HydrophobicContact CB-CG2 3.96Å; D644-V647 PolarHBondContact O-N 2.97Å; D644-V647 WeakPolarHBondContact OD2-CG2 3.33Å; V647-R650 VanDerWaalsContact CG2-NH2 3.29Å; V647-R650 PolarHBondContact O-N 2.89Å; V647-K651 HydrophobicContact CG1-CD 4.28Å; V647-K651 WeakPolarHBondContact O-CG 3.27Å; V647-K651 PolarHBondContact O-N 2.93Å
648A89.1Confident85.9Confident49 Ų4958.7 Ų58.741%0.40534%0.337SS..Hα-helixtrans-62.2-45.1177.600000111.8M645 F646 R650 K651 Q652M645-A648 PolarHBondContact O-N 3.41Å; F646-A648 VanDerWaalsContact C-N 3.31Å; A648-R650 PolarHBondContact O-N 3.33Å; A648-K651 PolarHBondContact O-N 3.28Å; A648-Q652 WeakPolarHBondContact O-CG 3.4Å; A648-Q652 PolarHBondContact O-N 3.01Å
649R94Very high86.3Confident64 Ų6457 Ų5724%0.24233%0.325CS..Hα-helixtrans-59.4-45.6176.4-72.7175.2-178-174.72.1112.6Y630 M645 F646 K651 Q652 F653Y630-R649 HydrophobicContact CE1-CB 3.98Å; Y630-R649 HydrophobicContact CE1-CG 3.75Å; Y630-R649 WeakPolarHBondContact O-CD 3.49Å; Y630-R649 PolarHBondContact O-NH1 3.39Å; M645-R649 WeakPolarHBondContact O-CG 3.3Å; M645-R649 PolarHBondContact O-N 3.4Å; F646-R649 PolarHBondContact O-N 3.29Å; R649-K651 PolarHBondContact O-N 3.47Å; R649-Q652 PolarHBondContact O-N 3.16Å; R649-F653 WeakPolarHBondContact O-CD2 3.41Å; R649-F653 PolarHBondContact O-N 2.86Å; R649-F653 VanDerWaalsContact O-N 3.15Å
650R94.3Very high87.2Confident16 Ų1649.9 Ų49.96%0.0628%0.281CS..Hα-helixtrans-61.1-43.5177-72.8-175.6-64.7-95.14.9111.7I631 F646 V647 A648 Q652 F653 L654 F775I631-R650 HydrophobicContact CB-CG 3.99Å; I631-R650 HydrophobicContact CG2-CG 4.32Å; I631-R650 PolarHBondContact O-NH1 2.91Å; F646-R650 WeakPolarHBondContact O-CG 3.4Å; F646-R650 PolarHBondContact O-N 2.69Å; V647-R650 VanDerWaalsContact CG2-NH2 3.29Å; V647-R650 PolarHBondContact O-N 2.89Å; A648-R650 PolarHBondContact O-N 3.33Å; R650-Q652 VanDerWaalsContact C-N 3.35Å; R650-Q652 PolarHBondContact O-N 3.07Å; R650-F653 PolarHBondContact O-N 2.53Å; R650-L654 PolarHBondContact O-N 3.47Å; R650-F775 HydrophobicContact CB-CD1 4.47Å; R650-F775 HydrophobicContact CB-CD2 3.73Å; R650-F775 HydrophobicContact CB-CE2 3.8Å; R650-F775 HydrophobicContact CB-CG 4.08Å; R650-F775 HydrophobicContact CB-CZ 4.2Å; R650-F775 HydrophobicContact CG-CD1 4.07Å; R650-F775 HydrophobicContact CG-CD2 4.21Å; R650-F775 HydrophobicContact CG-CE1 4.01Å; R650-F775 HydrophobicContact CG-CE2 4.16Å; R650-F775 HydrophobicContact CG-CG 4.17Å; R650-F775 HydrophobicContact CG-CZ 4.05Å; R650-F775 WeakPolarHBondContact O-CE2 3.46Å
651K91.1Very high88Confident125 Ų12548 Ų4854%0.54327%0.267SS..Hα-helixtrans-62.6-39175.4-73.5-179.5176-175.10112.8V647 A648 R649 L654 L655V647-K651 HydrophobicContact CG1-CD 4.28Å; V647-K651 WeakPolarHBondContact O-CG 3.27Å; V647-K651 PolarHBondContact O-N 2.93Å; A648-K651 PolarHBondContact O-N 3.28Å; R649-K651 PolarHBondContact O-N 3.47Å; K651-L654 PolarHBondContact O-N 3.1Å; K651-L655 WeakPolarHBondContact O-CB 3.38Å; K651-L655 PolarHBondContact O-N 3.27Å
652Q93.4Very high89.2Confident81 Ų8143.5 Ų43.538%0.37924%0.236SC..Hα-helixtrans-61.7-43.7176.5-75.5176-30.900112.1F611 A648 R649 R650 L654 L655 H656F611-Q652 HydrophobicContact CE2-CB 3.78Å; F611-Q652 HydrophobicContact CZ-CB 4.17Å; A648-Q652 WeakPolarHBondContact O-CG 3.4Å; A648-Q652 PolarHBondContact O-N 3.01Å; R649-Q652 PolarHBondContact O-N 3.16Å; R650-Q652 VanDerWaalsContact C-N 3.35Å; R650-Q652 PolarHBondContact O-N 3.07Å; Q652-L654 PolarHBondContact O-N 3.42Å; Q652-L655 PolarHBondContact O-N 3.3Å; Q652-H656 WeakPolarHBondContact O-CB 3.07Å; Q652-H656 PolarHBondContact O-CD2 3.06Å; Q652-H656 PolarHBondContact O-N 3.46Å
653F95.8Very high90.4Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-60.7-42.9175.5-90.8-80.7000112.5F611 W612 I617 V621 F627 Y630 I631 R649 R650 T657 F710 F775 V779F611-F653 HydrophobicContact CE1-CD1 4.45Å; F611-F653 HydrophobicContact CE1-CE1 4.5Å; F611-F653 HydrophobicContact CZ-CD1 4.38Å; F611-F653 HydrophobicContact CZ-CD2 4.17Å; F611-F653 HydrophobicContact CZ-CE1 4.43Å; F611-F653 HydrophobicContact CZ-CE2 4.21Å; F611-F653 HydrophobicContact CZ-CG 4.26Å; F611-F653 HydrophobicContact CZ-CZ 4.34Å; W612-F653 HydrophobicContact CH2-CD1 4.21Å; W612-F653 HydrophobicContact CH2-CE1 4.14Å; W612-F653 HydrophobicContact CZ3-CE1 4.28Å; I617-F653 HydrophobicContact CD1-CE2 3.94Å; I617-F653 HydrophobicContact CD1-CZ 3.93Å; I617-F653 HydrophobicContact CG2-CZ 4.27Å; V621-F653 HydrophobicContact CG1-CE1 3.84Å; V621-F653 HydrophobicContact CG1-CZ 4.05Å; F627-F653 HydrophobicContact CD2-CE1 4.49Å; F627-F653 HydrophobicContact CD2-CE2 4.37Å; F627-F653 HydrophobicContact CD2-CZ 4.11Å; F627-F653 HydrophobicContact CE2-CD1 4.25Å; F627-F653 HydrophobicContact CE2-CD2 4.1Å; F627-F653 HydrophobicContact CE2-CE1 4.05Å; F627-F653 AromaticContact CE2-CE2 3.9Å; F627-F653 HydrophobicContact CE2-CE2 3.9Å; F627-F653 HydrophobicContact CE2-CG 4.28Å; F627-F653 AromaticContact CE2-CZ 3.87Å; F627-F653 HydrophobicContact CE2-CZ 3.87Å; Y630-F653 AromaticContact CD1-CE2 3.87Å; Y630-F653 HydrophobicContact CD1-CE2 3.87Å; Y630-F653 AromaticContact CE1-CE2 3.8Å; Y630-F653 HydrophobicContact CE1-CE2 3.8Å; I631-F653 HydrophobicContact CG2-CD2 4.48Å; R649-F653 WeakPolarHBondContact O-CD2 3.41Å; R649-F653 PolarHBondContact O-N 2.86Å; R649-F653 VanDerWaalsContact O-N 3.15Å; R650-F653 PolarHBondContact O-N 2.53Å; F653-T657 VanDerWaalsContact O-CB 3.32Å; F653-T657 WeakPolarHBondContact O-CB 3.49Å; F653-T657 PolarHBondContact O-N 2.84Å; F653-T657 VanDerWaalsContact O-N 3.16Å; F653-T657 PolarHBondContact O-OG1 3.24Å; F653-F710 AromaticContact CD1-CE1 3.98Å; F653-F710 HydrophobicContact CD1-CE1 3.98Å; F653-F710 AromaticContact CD1-CE2 3.97Å; F653-F710 HydrophobicContact CD1-CE2 3.97Å; F653-F710 AromaticContact CD1-CZ 3.61Å; F653-F710 HydrophobicContact CD1-CZ 3.61Å; F653-F710 HydrophobicContact CE1-CD2 4.22Å; F653-F710 HydrophobicContact CE1-CE1 4.48Å; F653-F710 AromaticContact CE1-CE2 3.92Å; F653-F710 HydrophobicContact CE1-CE2 3.92Å; F653-F710 HydrophobicContact CE1-CZ 4.04Å; F653-F710 HydrophobicContact CG-CZ 4.41Å; F653-F775 HydrophobicContact CB-CE2 4.19Å; F653-F775 HydrophobicContact CB-CZ 4.38Å; F653-V779 HydrophobicContact CB-CG2 4.48Å
654L93.3Very high91.7Very high33 Ų3335.3 Ų35.317%0.17317%0.173CC..Hα-helixtrans-61-56.1175.7-76.5169.6000111.1R650 K651 Q652 H656 T657 E658 F775 D778 V779R650-L654 PolarHBondContact O-N 3.47Å; K651-L654 PolarHBondContact O-N 3.1Å; Q652-L654 PolarHBondContact O-N 3.42Å; L654-H656 PolarHBondContact O-N 3.01Å; L654-T657 PolarHBondContact O-N 2.97Å; L654-E658 WeakPolarHBondContact O-CB 3.48Å; L654-E658 PolarHBondContact O-N 3.37Å; L654-F775 HydrophobicContact CD1-CD2 3.76Å; L654-F775 HydrophobicContact CD1-CE2 4.44Å; L654-F775 HydrophobicContact CD2-CD2 4.34Å; L654-F775 HydrophobicContact CG-CD2 3.78Å; L654-F775 HydrophobicContact CG-CE2 4Å; L654-D778 HydrophobicContact CD2-CB 3.6Å; L654-V779 HydrophobicContact CD2-CB 3.8Å; L654-V779 HydrophobicContact CD2-CG2 4.23Å
655L92Very high92.1Very high21 Ų2137 Ų3711%0.1118%0.182CC..Hα-helixtrans-55.2-51.4-177.9174.960.5000112.3D574 K651 Q652 T657 E658 I659D574-L655 HydrophobicContact CB-CD1 3.76Å; D574-L655 HydrophobicContact CB-CD2 4.05Å; D574-L655 HydrophobicContact CB-CG 4.35Å; K651-L655 WeakPolarHBondContact O-CB 3.38Å; K651-L655 PolarHBondContact O-N 3.27Å; Q652-L655 PolarHBondContact O-N 3.3Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 3.2Å; L655-E658 PolarHBondContact O-N 3.14Å; L655-I659 HydrophobicContact CD1-CD1 3.7Å; L655-I659 HydrophobicContact CD1-CG1 4.03Å; L655-I659 HydrophobicContact CG-CD1 3.89Å; L655-I659 WeakPolarHBondContact O-CG1 3.39Å; L655-I659 PolarHBondContact O-N 3.04Å
656H94.4Very high92.1Very high18 Ų1832.7 Ų32.78%0.08316%0.16CC..Hα-helixtrans-72.2-22.7-175.2-73.2-56.9000113T608 F611 Q652 L654 L660T608-H656 WeakPolarHBondContact CA-ND1 3.14Å; T608-H656 HydrophobicContact CG2-CB 3.93Å; T608-H656 WeakPolarHBondContact CG2-O 3.13Å; T608-H656 PolarHBondContact OG1-ND1 3.43Å; F611-H656 HydrophobicContact CD1-CB 3.72Å; F611-H656 AromaticContact CD1-CD2 3.45Å; F611-H656 VanDerWaalsContact CD1-CD2 3.45Å; F611-H656 WeakPolarHBondContact CD1-CD2 3.42Å; F611-H656 AromaticContact CD1-CG 3.66Å; F611-H656 AromaticContact CD2-CD2 3.52Å; F611-H656 AromaticContact CD2-NE2 3.81Å; F611-H656 HydrophobicContact CE1-CB 3.98Å; F611-H656 AromaticContact CE1-CD2 3.87Å; F611-H656 AromaticContact CE2-CD2 3.93Å; F611-H656 HydrophobicContact CG-CB 4.39Å; F611-H656 AromaticContact CG-CD2 3.26Å; F611-H656 WeakPolarHBondContact CG-CD2 3.32Å; F611-H656 AromaticContact CG-CG 3.82Å; F611-H656 AromaticContact CG-NE2 3.66Å; Q652-H656 WeakPolarHBondContact O-CB 3.07Å; Q652-H656 PolarHBondContact O-CD2 3.06Å; Q652-H656 PolarHBondContact O-N 3.46Å; L654-H656 PolarHBondContact O-N 3.01Å; H656-L660 VanDerWaalsContact O-CG 3.29Å; H656-L660 WeakPolarHBondContact O-CG 3.1Å
657T94.8Very high92Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-77.4-41.6171.1-53.10000110.5F653 L654 L655 L660 Y661 N782 L786F653-T657 VanDerWaalsContact O-CB 3.32Å; F653-T657 WeakPolarHBondContact O-CB 3.49Å; F653-T657 PolarHBondContact O-N 2.84Å; F653-T657 VanDerWaalsContact O-N 3.16Å; F653-T657 PolarHBondContact O-OG1 3.24Å; L654-T657 PolarHBondContact O-N 2.97Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 3.2Å; T657-L660 PolarHBondContact O-N 3.22Å; T657-Y661 PolarHBondContact O-N 2.77Å; T657-N782 HydrophobicContact CG2-CB 3.91Å; T657-L786 HydrophobicContact CG2-CB 4.43Å; T657-L786 HydrophobicContact CG2-CD2 3.77Å
658E91.5Very high91.8Very high65 Ų6530.5 Ų30.530%0.30415%0.151SC..Hα-helixtrans-67.3-40.8-178.8-165.6172.6-175.900112.2C578 L654 L655 L660 Y661 S662C578-E658 HydrophobicContact CB-CG 4.41Å; L654-E658 WeakPolarHBondContact O-CB 3.48Å; L654-E658 PolarHBondContact O-N 3.37Å; L655-E658 PolarHBondContact O-N 3.14Å; E658-L660 PolarHBondContact O-N 2.99Å; E658-Y661 PolarHBondContact O-N 3.08Å; E658-S662 VanDerWaalsContact O-CB 3.23Å; E658-S662 WeakPolarHBondContact O-CB 3.27Å; E658-S662 PolarHBondContact O-N 3.3Å
659I92.3Very high91.4Very high13 Ų1330.7 Ų30.77%0.06715%0.145CC..Hα-helixtrans-58.5-47.7172.5-70.4168.8000110.6T605 L655 Y661 S662 V663T605-I659 HydrophobicContact CG2-CG2 4.35Å; L655-I659 HydrophobicContact CD1-CD1 3.7Å; L655-I659 HydrophobicContact CD1-CG1 4.03Å; L655-I659 HydrophobicContact CG-CD1 3.89Å; L655-I659 WeakPolarHBondContact O-CG1 3.39Å; L655-I659 PolarHBondContact O-N 3.04Å; I659-Y661 VanDerWaalsContact C-N 3.3Å; I659-Y661 PolarHBondContact O-N 3.03Å; I659-S662 WeakPolarHBondContact O-CB 3.25Å; I659-S662 PolarHBondContact O-N 2.85Å; I659-V663 WeakPolarHBondContact O-CG2 3.45Å; I659-V663 PolarHBondContact O-N 3.09Å
660L94.4Very high90.4Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-63.3-39.5179.6-68.4175.5000111.6T608 H656 T657 E658 L664 F700 L703 I707 L786T608-L660 HydrophobicContact CG2-CD1 4.05Å; T608-L660 HydrophobicContact CG2-CD2 3.8Å; T608-L660 HydrophobicContact CG2-CG 3.7Å; H656-L660 VanDerWaalsContact O-CG 3.29Å; H656-L660 WeakPolarHBondContact O-CG 3.1Å; T657-L660 PolarHBondContact O-N 3.22Å; E658-L660 PolarHBondContact O-N 2.99Å; L660-L664 PolarHBondContact O-N 3.49Å; L660-F700 HydrophobicContact CB-CE1 3.87Å; L660-F700 HydrophobicContact CB-CZ 3.88Å; L660-F700 HydrophobicContact CD2-CE1 3.79Å; L660-F700 HydrophobicContact CD2-CE2 3.92Å; L660-F700 HydrophobicContact CD2-CZ 3.44Å; L660-F700 VanDerWaalsContact CD2-CZ 3.44Å; L660-F700 HydrophobicContact CG-CE1 4.3Å; L660-F700 HydrophobicContact CG-CZ 4.24Å; L660-F700 WeakPolarHBondContact O-CZ 3.42Å; L660-L703 HydrophobicContact CD1-CD1 4.18Å; L660-L703 HydrophobicContact CD2-CD1 3.76Å; L660-I707 HydrophobicContact CD1-CD1 4Å; L660-I707 HydrophobicContact CD1-CG1 4.42Å; L660-L786 HydrophobicContact CB-CD1 3.79Å; L660-L786 HydrophobicContact CB-CD2 3.9Å; L660-L786 HydrophobicContact CD1-CD2 4.14Å
661Y92.5Very high89.3Confident50 Ų5035.1 Ų35.120%0.19617%0.171CC..Hα-helixtrans-64.2-50176.7175.9-105.1000111.5T657 E658 I659 V663 L664 N665 K785 Q789T657-Y661 PolarHBondContact O-N 2.77Å; E658-Y661 PolarHBondContact O-N 3.08Å; I659-Y661 VanDerWaalsContact C-N 3.3Å; I659-Y661 PolarHBondContact O-N 3.03Å; Y661-V663 PolarHBondContact O-N 2.96Å; Y661-L664 PolarHBondContact O-N 3.33Å; Y661-L664 VanDerWaalsContact O-N 3.15Å; Y661-N665 HydrophobicContact CE1-CB 4.34Å; Y661-N665 VanDerWaalsContact O-CB 3.3Å; Y661-N665 WeakPolarHBondContact O-CB 3.43Å; Y661-N665 PolarHBondContact O-N 3.33Å; Y661-K785 HydrophobicContact CD2-CB 3.93Å; Y661-K785 HydrophobicContact CE2-CB 3.57Å; Y661-K785 HydrophobicContact CE2-CG 4.48Å; Y661-Q789 HydrophobicContact CD2-CG 4.15Å; Y661-Q789 HydrophobicContact CE2-CG 3.73Å
662S89.5Confident88.7Confident4 Ų433.3 Ų33.33%0.02817%0.168CC..Hα-helixtrans-50.6-51.8176.6159.90000112.1V581 D582 E658 I659 L664 N665 H666V581-S662 VanDerWaalsContact CG1-OG 3.24Å; V581-S662 WeakPolarHBondContact CG1-OG 3.36Å; D582-S662 WeakPolarHBondContact OD1-CB 3.35Å; D582-S662 PolarHBondContact OD1-OG 3.33Å; E658-S662 VanDerWaalsContact O-CB 3.23Å; E658-S662 WeakPolarHBondContact O-CB 3.27Å; E658-S662 PolarHBondContact O-N 3.3Å; I659-S662 WeakPolarHBondContact O-CB 3.25Å; I659-S662 PolarHBondContact O-N 2.85Å; S662-L664 PolarHBondContact O-N 3.12Å; S662-N665 PolarHBondContact O-N 3.39Å; S662-H666 PolarHBondContact O-CD2 2.94Å; S662-H666 PolarHBondContact O-N 2.99Å
663V92.2Very high88Confident0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-57.7-45.8178.6175.50000112V581 F585 T601 T605 I659 Y661 I667 A696 F700V581-V663 HydrophobicContact CG1-CG2 3.71Å; F585-V663 HydrophobicContact CD2-CB 4.42Å; F585-V663 HydrophobicContact CD2-CG1 4.4Å; F585-V663 HydrophobicContact CD2-CG2 3.99Å; F585-V663 HydrophobicContact CE1-CG1 4.22Å; F585-V663 HydrophobicContact CE2-CB 4.19Å; F585-V663 HydrophobicContact CE2-CG1 3.98Å; F585-V663 HydrophobicContact CE2-CG2 3.51Å; F585-V663 HydrophobicContact CZ-CG1 3.87Å; F585-V663 HydrophobicContact CZ-CG2 4.13Å; T601-V663 HydrophobicContact CG2-CG1 4.13Å; T605-V663 HydrophobicContact CG2-CG2 3.85Å; I659-V663 WeakPolarHBondContact O-CG2 3.45Å; I659-V663 PolarHBondContact O-N 3.09Å; Y661-V663 PolarHBondContact O-N 2.96Å; V663-I667 HydrophobicContact CG1-CD1 3.73Å; V663-I667 WeakPolarHBondContact O-CD1 3.44Å; V663-I667 VanDerWaalsContact O-CG1 3.26Å; V663-I667 WeakPolarHBondContact O-CG1 3.33Å; V663-I667 PolarHBondContact O-N 3.36Å; V663-A696 HydrophobicContact CG1-CB 4.35Å; V663-F700 HydrophobicContact CG1-CE2 4.3Å
664L91.6Very high87.4Confident0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-73.8-33.4-178.8-73.5176.8000113.7L660 Y661 S662 A696 F700 L786 Q789 C790 R793 F794L660-L664 PolarHBondContact O-N 3.49Å; Y661-L664 PolarHBondContact O-N 3.33Å; Y661-L664 VanDerWaalsContact O-N 3.15Å; S662-L664 PolarHBondContact O-N 3.12Å; L664-A696 HydrophobicContact CD2-CB 4.34Å; L664-F700 HydrophobicContact CD1-CD1 3.8Å; L664-F700 HydrophobicContact CD1-CE1 3.29Å; L664-F700 HydrophobicContact CD1-CZ 3.92Å; L664-F700 HydrophobicContact CD2-CD1 4.47Å; L664-F700 HydrophobicContact CD2-CE1 4.21Å; L664-F700 HydrophobicContact CD2-CZ 4.22Å; L664-F700 HydrophobicContact CG-CD1 4.28Å; L664-F700 HydrophobicContact CG-CE1 3.61Å; L664-F700 HydrophobicContact CG-CE2 4.42Å; L664-F700 HydrophobicContact CG-CZ 3.67Å; L664-L786 HydrophobicContact CD1-CD1 3.9Å; L664-Q789 HydrophobicContact CB-CB 4.26Å; L664-Q789 HydrophobicContact CD1-CB 4.39Å; L664-C790 HydrophobicContact CD1-CB 4.46Å; L664-C790 VanDerWaalsContact CD1-SG 3.53Å; L664-R793 PolarHBondContact O-NE 3.29Å; L664-R793 VanDerWaalsContact O-NE 3.12Å; L664-F794 HydrophobicContact CD1-CZ 4.3Å; L664-F794 HydrophobicContact CD2-CD1 4.43Å; L664-F794 HydrophobicContact CD2-CE1 3.48Å; L664-F794 VanDerWaalsContact CD2-CE1 3.48Å; L664-F794 HydrophobicContact CD2-CE2 4.31Å; L664-F794 HydrophobicContact CD2-CZ 3.4Å; L664-F794 VanDerWaalsContact CD2-CZ 3.4Å; L664-F794 HydrophobicContact CG-CZ 4.45Å
665N89.1Confident87Confident50 Ų5038.3 Ų38.327%0.26720%0.198SC..Hα-helixtrans-68-42.8-179.6-164.353.3000110.3Y661 S662 R793Y661-N665 HydrophobicContact CE1-CB 4.34Å; Y661-N665 VanDerWaalsContact O-CB 3.3Å; Y661-N665 WeakPolarHBondContact O-CB 3.43Å; Y661-N665 PolarHBondContact O-N 3.33Å; S662-N665 PolarHBondContact O-N 3.39Å; N665-R793 PolarHBondContact O-NH2 3.39Å
666H88.2Confident86.6Confident19 Ų1938 Ų389%0.08820%0.196CC..Hα-helixtrans-88.7-17.8-172.9-75.3-75000115.9D582 F585 E586 N589 S662 S668D582-H666 IonicContact OD1-CD2 3.93Å; D582-H666 PolarHBondContact OD1-CD2 3.15Å; D582-H666 IonicContact OD1-NE2 2.73Å; D582-H666 PolarHBondContact OD1-NE2 3.16Å; F585-H666 HydrophobicContact CB-CB 3.69Å; E586-H666 IonicContact OE2-CE1 3.77Å; E586-H666 IonicContact OE2-CG 2.69Å; E586-H666 IonicContact OE2-ND1 3.99Å; E586-H666 PolarHBondContact OE2-ND1 3.11Å; N589-H666 PolarHBondContact ND2-O 3.1Å; N589-H666 PolarHBondContact OD1-O 3.41Å; S662-H666 PolarHBondContact O-CD2 2.94Å; S662-H666 PolarHBondContact O-N 2.99Å; H666-S668 PolarHBondContact O-N 2.9Å
667I89.5Confident86.2Confident0 Ų040.2 Ų40.20%021%0.214CC..  trans-74.7117.2172.5-67.1167.5000109.5F585 V663 P695 A696 R793F585-I667 HydrophobicContact CB-CG1 4.34Å; F585-I667 HydrophobicContact CD1-CD1 3.66Å; F585-I667 HydrophobicContact CD1-CG1 3.38Å; F585-I667 HydrophobicContact CE1-CD1 3.69Å; F585-I667 HydrophobicContact CE1-CG1 3.97Å; F585-I667 HydrophobicContact CG-CG1 4.07Å; V663-I667 HydrophobicContact CG1-CD1 3.73Å; V663-I667 WeakPolarHBondContact O-CD1 3.44Å; V663-I667 VanDerWaalsContact O-CG1 3.26Å; V663-I667 WeakPolarHBondContact O-CG1 3.33Å; V663-I667 PolarHBondContact O-N 3.36Å; I667-P695 HydrophobicContact CD1-CG 4.33Å; I667-P695 HydrophobicContact CG2-CG 3.88Å; I667-A696 HydrophobicContact CD1-CB 4.04Å; I667-R793 VanDerWaalsContact O-CZ 3.24Å; I667-R793 PolarHBondContact O-NH2 2.71Å
668S84.5Confident85.9Confident32 Ų3246.6 Ų46.622%0.22424%0.244CC..  trans-114.8127.7175.2570000111.1N589 H666N589-S668 PolarHBondContact ND2-OG 3.41Å; N589-S668 PolarHBondContact OD1-N 3.04Å; N589-S668 PolarHBondContact OD1-O 3.01Å; N589-S668 PolarHBondContact OD1-OG 3.33Å; H666-S668 PolarHBondContact O-N 2.9Å
669L81.5Confident85.8Confident53 Ų5344 Ų4428%0.27723%0.234SC..  trans-86.7134.9174.9-63.6176.2000109.5L676 F681 A692L669-L676 HydrophobicContact CB-CD2 4.21Å; L669-F681 HydrophobicContact CD2-CD1 3.55Å; L669-F681 HydrophobicContact CD2-CE1 3.83Å; L669-F681 HydrophobicContact CD2-CG 4.32Å; L669-A692 HydrophobicContact CD1-CB 4.06Å
670N73Confident85.7Confident79 Ų7945.6 Ų45.642%0.42225%0.254SS..  trans-64.7137.6177.8-163.6-38000110.5N672 A675 L676N670-N672 VanDerWaalsContact C-N 3.26Å; N670-N672 PolarHBondContact O-N 3.17Å; N670-N672 WeakPolarHBondContact OD1-CB 3.34Å; N670-N672 PolarHBondContact OD1-N 3.26Å; N670-A675 HydrophobicContact CB-CB 4.2Å; N670-A675 WeakPolarHBondContact ND2-CB 3.19Å; N670-L676 HydrophobicContact CB-CD2 4.18Å; N670-L676 HydrophobicContact CB-CG 4.49Å; N670-L676 VanDerWaalsContact O-CD1 3.28Å; N670-L676 WeakPolarHBondContact O-CD1 3.41Å; N670-L676 VanDerWaalsContact O-CD2 3.3Å; N670-L676 WeakPolarHBondContact O-CD2 3.38Å; N670-L676 WeakPolarHBondContact O-CG 3.48Å
671E70.3Confident85.6Confident94 Ų9445.9 Ų45.944%0.43926%0.255SS..SBendtrans-69.7-27177.6-64.1176.8-157.200112.5V673 Y920E671-V673 PolarHBondContact O-N 3.43Å; E671-Y920 WeakPolarHBondContact OE1-CB 3.2Å
672N79.3Confident85.3Confident87 Ų8744.9 Ų44.947%0.46525%0.254SS..  trans-75.8111.8-178.5-173.5-16.6000110.5N670 Q674 A675 L676N670-N672 VanDerWaalsContact C-N 3.26Å; N670-N672 PolarHBondContact O-N 3.17Å; N670-N672 WeakPolarHBondContact OD1-CB 3.34Å; N670-N672 PolarHBondContact OD1-N 3.26Å; N672-Q674 PolarHBondContact O-N 3.07Å; N672-Q674 VanDerWaalsContact O-N 3.13Å; N672-Q674 WeakPolarHBondContact OD1-CB 3.49Å; N672-Q674 PolarHBondContact OD1-N 3.34Å; N672-A675 HydrophobicContact CB-CB 4.02Å; N672-A675 WeakPolarHBondContact O-CB 3.47Å; N672-A675 PolarHBondContact O-N 3.48Å; N672-L676 PolarHBondContact O-N 3.19Å
673V78.6Confident84.8Confident87 Ų8747.7 Ų47.753%0.52727%0.271SS..Hα-helixtrans-52.1-35.9177-178.80000112.4E671 L676 S677E671-V673 PolarHBondContact O-N 3.43Å; V673-L676 PolarHBondContact O-N 2.86Å; V673-S677 WeakPolarHBondContact O-CB 3.33Å; V673-S677 PolarHBondContact O-N 3.39Å
674Q82.9Confident83.9Confident121 Ų12150.8 Ų50.857%0.56530%0.297SS*.Hα-helixtrans-66.4-45.8176.5-174.5179-12.400111.3N672 L676 S677 E678N672-Q674 PolarHBondContact O-N 3.07Å; N672-Q674 VanDerWaalsContact O-N 3.13Å; N672-Q674 WeakPolarHBondContact OD1-CB 3.49Å; N672-Q674 PolarHBondContact OD1-N 3.34Å; Q674-L676 VanDerWaalsContact C-N 3.31Å; Q674-L676 PolarHBondContact O-N 3.49Å; Q674-S677 PolarHBondContact O-N 2.94Å; Q674-S677 VanDerWaalsContact O-N 3.15Å; Q674-E678 HydrophobicContact CG-CG 4.47Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.2Å; Q674-E678 PolarHBondContact NE2-OE1 2.71Å; Q674-E678 WeakPolarHBondContact O-CG 3.32Å; Q674-E678 PolarHBondContact O-N 2.68Å
675A84.1Confident82.6Confident12 Ų1254.2 Ų54.210%0.09932%0.315CS..Hα-helixtrans-63.3-39.3177.900000111.5N592 N670 N672 S677 E678 G679N592-A675 PolarHBondContact ND2-O 3.29Å; N592-A675 PolarHBondContact OD1-O 3.03Å; N670-A675 HydrophobicContact CB-CB 4.2Å; N670-A675 WeakPolarHBondContact ND2-CB 3.19Å; N672-A675 HydrophobicContact CB-CB 4.02Å; N672-A675 WeakPolarHBondContact O-CB 3.47Å; N672-A675 PolarHBondContact O-N 3.48Å; A675-S677 VanDerWaalsContact C-N 3.34Å; A675-E678 PolarHBondContact O-N 2.88Å; A675-G679 PolarHBondContact O-N 3.43Å
676L85.1Confident81.2Confident13 Ų1358.4 Ų58.47%0.06835%0.349CS..Hα-helixtrans-61.1-43.5173-68.2176.7000111.8L669 N670 N672 V673 Q674 G679 G680 F681 T682 A692L669-L676 HydrophobicContact CB-CD2 4.21Å; N670-L676 HydrophobicContact CB-CD2 4.18Å; N670-L676 HydrophobicContact CB-CG 4.49Å; N670-L676 VanDerWaalsContact O-CD1 3.28Å; N670-L676 WeakPolarHBondContact O-CD1 3.41Å; N670-L676 VanDerWaalsContact O-CD2 3.3Å; N670-L676 WeakPolarHBondContact O-CD2 3.38Å; N670-L676 WeakPolarHBondContact O-CG 3.48Å; N672-L676 PolarHBondContact O-N 3.19Å; V673-L676 PolarHBondContact O-N 2.86Å; Q674-L676 VanDerWaalsContact C-N 3.31Å; Q674-L676 PolarHBondContact O-N 3.49Å; L676-G679 PolarHBondContact O-N 3.24Å; L676-G680 PolarHBondContact O-N 3.4Å; L676-G680 VanDerWaalsContact O-N 3.13Å; L676-F681 HydrophobicContact CB-CB 4.1Å; L676-F681 HydrophobicContact CD2-CB 3.82Å; L676-F681 HydrophobicContact CD2-CD2 4.24Å; L676-F681 HydrophobicContact CD2-CG 4.08Å; L676-F681 PolarHBondContact O-N 3Å; L676-T682 HydrophobicContact CB-CG2 3.6Å; L676-A692 HydrophobicContact CD1-CB 3.91Å
677S86.1Confident79.7Confident65 Ų6562 Ų6246%0.45538%0.376SS..Hα-helixtrans-66.2-41.8178.6-175.70000111.7V673 Q674 A675 G679 G680 T682V673-S677 WeakPolarHBondContact O-CB 3.33Å; V673-S677 PolarHBondContact O-N 3.39Å; Q674-S677 PolarHBondContact O-N 2.94Å; Q674-S677 VanDerWaalsContact O-N 3.15Å; A675-S677 VanDerWaalsContact C-N 3.34Å; S677-G679 VanDerWaalsContact C-N 3.3Å; S677-G679 PolarHBondContact O-N 2.96Å; S677-G680 PolarHBondContact O-N 3.38Å; S677-T682 WeakPolarHBondContact CA-OG1 3.27Å
678E88.1Confident78.3Confident135 Ų13564.6 Ų64.663%0.63140%0.403SS*.Hα-helixtrans-64.5-35.8176.6-73.5172.5-172.600111.8Q674 A675 G680Q674-E678 HydrophobicContact CG-CG 4.47Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.2Å; Q674-E678 PolarHBondContact NE2-OE1 2.71Å; Q674-E678 WeakPolarHBondContact O-CG 3.32Å; Q674-E678 PolarHBondContact O-N 2.68Å; A675-E678 PolarHBondContact O-N 2.88Å; E678-G680 VanDerWaalsContact C-N 3.33Å
679G88.5Confident77.3Confident10 Ų1065.5 Ų65.510%0.10341%0.412CS..THydrogen-bonded Turntrans-83.1-2.3177.800000115.3N592 Y594 A675 L676 S677N592-G679 WeakPolarHBondContact O-CA 3.48Å; Y594-G679 WeakPolarHBondContact CB-O 3.37Å; Y594-G679 PolarHBondContact N-O 3.19Å; A675-G679 PolarHBondContact O-N 3.43Å; L676-G679 PolarHBondContact O-N 3.24Å; S677-G679 VanDerWaalsContact C-N 3.3Å; S677-G679 PolarHBondContact O-N 2.96Å
680G91.6Very high76.6Confident47 Ų4767.8 Ų67.849%0.48542%0.423SS..THydrogen-bonded Turntrans79.717.9179.400000115.3L676 S677 E678L676-G680 PolarHBondContact O-N 3.4Å; L676-G680 VanDerWaalsContact O-N 3.13Å; S677-G680 PolarHBondContact O-N 3.38Å; E678-G680 VanDerWaalsContact C-N 3.33Å
681F90.9Very high76.6Confident5 Ų564.9 Ų64.92%0.02241%0.411CS..  trans-85.8-17-177.6-65.1-88.1000114Y594 Q597 L669 L676 N693 P695Y594-F681 AromaticContact CD2-CD1 3.78Å; Y594-F681 HydrophobicContact CD2-CD1 3.78Å; Y594-F681 HydrophobicContact CD2-CE1 4.14Å; Y594-F681 HydrophobicContact CD2-CG 4.45Å; Y594-F681 HydrophobicContact CG-CD1 4.44Å; Q597-F681 VanDerWaalsContact OE1-CE1 3.29Å; L669-F681 HydrophobicContact CD2-CD1 3.55Å; L669-F681 HydrophobicContact CD2-CE1 3.83Å; L669-F681 HydrophobicContact CD2-CG 4.32Å; L676-F681 HydrophobicContact CB-CB 4.1Å; L676-F681 HydrophobicContact CD2-CB 3.82Å; L676-F681 HydrophobicContact CD2-CD2 4.24Å; L676-F681 HydrophobicContact CD2-CG 4.08Å; L676-F681 PolarHBondContact O-N 3Å; F681-N693 WeakPolarHBondContact O-CB 3.35Å; F681-N693 PolarHBondContact O-N 2.77Å; F681-P695 HydrophobicContact CE1-CG 4.21Å
682T86.3Confident77.2Confident29 Ų2961.8 Ų61.818%0.17840%0.402CS..EExtended strand (participates in β ladder)trans-90.2137.4-172.255.70000113.1L676 S677 M690 G691L676-T682 HydrophobicContact CB-CG2 3.6Å; S677-T682 WeakPolarHBondContact CA-OG1 3.27Å; T682-M690 HydrophobicContact CG2-CE 3.67Å; T682-M690 WeakPolarHBondContact OG1-CE 3.45Å; T682-G691 WeakPolarHBondContact CA-O 3.32Å
683V79.7Confident77.6Confident63 Ų6359 Ų5938%0.38239%0.387SS..EExtended strand (participates in β ladder)trans-125.3131.7167.5169.90000109.3G691 N693V683-G691 PolarHBondContact N-O 3.34Å; V683-G691 PolarHBondContact O-N 2.99Å; V683-N693 WeakPolarHBondContact CG2-ND2 3.46Å
684A72.1Confident78.3Confident65 Ų6555 Ų5554%0.53736%0.363SS..EExtended strand (participates in β ladder)trans-76.3123.8170.400000109.1M690A684-M690 HydrophobicContact CB-SD 4.36Å
685D65Low78.8Confident72 Ų7249.3 Ų49.339%0.38534%0.336SS..  trans-71.4174.1170.878.56.1000111.3S687 G688 A689D685-S687 VanDerWaalsContact CG-OG 3.24Å; D685-S687 PolarHBondContact O-N 3.18Å; D685-S687 VanDerWaalsContact O-N 3.08Å; D685-S687 VanDerWaalsContact OD1-C 3.31Å; D685-S687 VanDerWaalsContact OD1-CA 3.25Å; D685-S687 WeakPolarHBondContact OD1-CA 3.48Å; D685-S687 WeakPolarHBondContact OD1-CB 3.4Å; D685-S687 PolarHBondContact OD1-N 2.84Å; D685-S687 PolarHBondContact OD1-OG 3.44Å; D685-S687 PolarHBondContact OD2-OG 2.87Å; D685-S687 VanDerWaalsContact OD2-OG 3.04Å; D685-G688 PolarHBondContact O-N 3.43Å; D685-G688 PolarHBondContact OD1-N 3.23Å; D685-A689 VanDerWaalsContact CG-O 3.31Å; D685-A689 PolarHBondContact N-O 3.03Å; D685-A689 PolarHBondContact OD1-N 3.44Å
686S59.7Low79.3Confident139 Ų13948.7 Ų48.797%0.97233%0.331SS*.THydrogen-bonded Turntrans-62.2-13.8178.247.70000114.8
687S57.8Low79.8Confident94 Ų9448.9 Ų48.966%0.65733%0.331SS*.THydrogen-bonded Turntrans-96.6-5.917678.90000113.2D685D685-S687 VanDerWaalsContact CG-OG 3.24Å; D685-S687 PolarHBondContact O-N 3.18Å; D685-S687 VanDerWaalsContact O-N 3.08Å; D685-S687 VanDerWaalsContact OD1-C 3.31Å; D685-S687 VanDerWaalsContact OD1-CA 3.25Å; D685-S687 WeakPolarHBondContact OD1-CA 3.48Å; D685-S687 WeakPolarHBondContact OD1-CB 3.4Å; D685-S687 PolarHBondContact OD1-N 2.84Å; D685-S687 PolarHBondContact OD1-OG 3.44Å; D685-S687 PolarHBondContact OD2-OG 2.87Å; D685-S687 VanDerWaalsContact OD2-OG 3.04Å
688G58.9Low80.1Confident55 Ų5549.6 Ų49.657%0.56733%0.33SS*.SBendtrans84.84.9-174.600000114.1D685D685-G688 PolarHBondContact O-N 3.43Å; D685-G688 PolarHBondContact OD1-N 3.23Å
689A64.1Low80.4Confident51 Ų5143.7 Ų43.742%0.42130%0.303SS..  trans-77.1128.3172.500000109.6D685 G691D685-A689 VanDerWaalsContact CG-O 3.31Å; D685-A689 PolarHBondContact N-O 3.03Å; D685-A689 PolarHBondContact OD1-N 3.44Å; A689-G691 PolarHBondContact O-N 3.32Å
690M65.4Low80.7Confident100 Ų10043.2 Ų43.249%0.49330%0.299SS..EExtended strand (participates in β ladder)trans-80.2113.3-179.9-74.8-88.4-84.600109.7T682 A684T682-M690 HydrophobicContact CG2-CE 3.67Å; T682-M690 WeakPolarHBondContact OG1-CE 3.45Å; A684-M690 HydrophobicContact CB-SD 4.36Å
691G73.4Confident80.9Confident18 Ų1845.3 Ų45.319%0.18630%0.296CS..EExtended strand (participates in β ladder)trans-97146.5170.100000111.1T682 V683 A689T682-G691 WeakPolarHBondContact CA-O 3.32Å; V683-G691 PolarHBondContact N-O 3.34Å; V683-G691 PolarHBondContact O-N 2.99Å; A689-G691 PolarHBondContact O-N 3.32Å
692A83.9Confident80.9Confident29 Ų2949.8 Ų49.824%0.2432%0.317CS..EExtended strand (participates in β ladder)trans-87.2126.1170.200000109.5L669 L676 W796L669-A692 HydrophobicContact CD1-CB 4.06Å; L676-A692 HydrophobicContact CD1-CB 3.91Å; A692-W796 PolarHBondContact O-NE1 3.38Å
693N88.3Confident81.4Confident30 Ų3048.4 Ų48.416%0.1631%0.308CS..PPolyproline II helixtrans-84.3126.9170.6-87.4-7.7000109.9Y594 F681 V683 W796 Q797Y594-N693 HydrophobicContact CE2-CB 4.01Å; F681-N693 WeakPolarHBondContact O-CB 3.35Å; F681-N693 PolarHBondContact O-N 2.77Å; V683-N693 WeakPolarHBondContact CG2-ND2 3.46Å; N693-W796 WeakPolarHBondContact OD1-CZ2 3.18Å; N693-Q797 PolarHBondContact OD1-NE2 3Å
694H92.4Very high82.2Confident3 Ų345.4 Ų45.41%0.01429%0.29CS..PPolyproline II helixtrans-77.2125.5169.7-163.2-73.3000109.8A696 F697 F794H694-A696 PolarHBondContact ND1-N 3.36Å; H694-A696 PolarHBondContact O-N 3.29Å; H694-F697 WeakPolarHBondContact O-CB 3.32Å; H694-F697 PolarHBondContact O-N 3.42Å; H694-F794 HydrophobicContact CB-CD1 3.81Å; H694-F794 HydrophobicContact CB-CE1 4.25Å; H694-F794 AromaticContact CG-CD1 3.79Å; H694-F794 AromaticContact CG-CE1 3.91Å; H694-F794 AromaticContact ND1-CE1 3.62Å
695P93.6Very high83.2Confident0 Ų045.3 Ų45.30%028%0.284CS..THydrogen-bonded Turntrans-64.4-26.2-173.326.2-36.8000113.7Y594 Q597 H598 I667 F681Y594-P695 HydrophobicContact CD2-CB 4Å; Y594-P695 HydrophobicContact CE2-CB 3.99Å; Q597-P695 HydrophobicContact CB-CB 3.85Å; Q597-P695 HydrophobicContact CB-CG 3.81Å; H598-P695 HydrophobicContact CB-CB 4.21Å; H598-P695 PolarHBondContact ND1-O 3.49Å; I667-P695 HydrophobicContact CD1-CG 4.33Å; I667-P695 HydrophobicContact CG2-CG 3.88Å; F681-P695 HydrophobicContact CE1-CG 4.21Å
696A95.3Very high84.7Confident0 Ų042.6 Ų42.60%027%0.272CS..THydrogen-bonded Turntrans-80.3-8.6176.500000114.9T601 V663 L664 I667 H694 D698 T699 F700 F794T601-A696 HydrophobicContact CG2-CB 3.79Å; V663-A696 HydrophobicContact CG1-CB 4.35Å; L664-A696 HydrophobicContact CD2-CB 4.34Å; I667-A696 HydrophobicContact CD1-CB 4.04Å; H694-A696 PolarHBondContact ND1-N 3.36Å; H694-A696 PolarHBondContact O-N 3.29Å; A696-D698 PolarHBondContact O-N 3.4Å; A696-T699 PolarHBondContact O-N 3.5Å; A696-F700 HydrophobicContact CB-CD2 4.01Å; A696-F700 HydrophobicContact CB-CE2 4.11Å; A696-F700 VanDerWaalsContact O-CD2 3.28Å; A696-F700 WeakPolarHBondContact O-CD2 3.42Å; A696-F700 PolarHBondContact O-N 3.24Å; A696-F700 VanDerWaalsContact O-N 3.08Å; A696-F794 HydrophobicContact CB-CE1 4.38Å
697F94.9Very high86.4Confident16 Ų1636.1 Ų36.17%0.0723%0.226CC..Hα-helixtrans-60.8-48.5-168.9-179.6-103.9000112.8H694 T699 F700 Q701 F794 Q797 M801H694-F697 WeakPolarHBondContact O-CB 3.32Å; H694-F697 PolarHBondContact O-N 3.42Å; F697-T699 VanDerWaalsContact C-N 3.29Å; F697-T699 PolarHBondContact O-N 2.68Å; F697-F700 CarbonylContact O-C 3.47Å; F697-F700 PolarHBondContact O-N 2.87Å; F697-Q701 HydrophobicContact CE1-CB 4.24Å; F697-Q701 HydrophobicContact CE1-CG 4.19Å; F697-Q701 HydrophobicContact CZ-CB 4.3Å; F697-Q701 HydrophobicContact CZ-CG 4.11Å; F697-Q701 WeakPolarHBondContact O-CB 3.43Å; F697-Q701 PolarHBondContact O-N 3.42Å; F697-F794 HydrophobicContact CB-CD1 4.13Å; F697-F794 HydrophobicContact CB-CE1 4.16Å; F697-F794 HydrophobicContact CD2-CB 3.91Å; F697-F794 AromaticContact CD2-CD1 3.86Å; F697-F794 HydrophobicContact CD2-CD1 3.86Å; F697-F794 AromaticContact CD2-CD2 3.85Å; F697-F794 HydrophobicContact CD2-CD2 3.85Å; F697-F794 HydrophobicContact CD2-CE1 4.31Å; F697-F794 HydrophobicContact CD2-CE2 4.32Å; F697-F794 AromaticContact CD2-CG 3.61Å; F697-F794 HydrophobicContact CD2-CG 3.61Å; F697-F794 HydrophobicContact CE2-CB 4.28Å; F697-F794 HydrophobicContact CE2-CD2 4.29Å; F697-F794 HydrophobicContact CE2-CG 4.28Å; F697-Q797 VanDerWaalsContact CB-NE2 3.31Å; F697-Q797 HydrophobicContact CD1-CB 4.16Å; F697-Q797 HydrophobicContact CD2-CB 3.68Å; F697-Q797 HydrophobicContact CE1-CB 4.07Å; F697-Q797 HydrophobicContact CE2-CB 3.58Å; F697-Q797 HydrophobicContact CG-CB 3.96Å; F697-Q797 HydrophobicContact CG-CG 4.46Å; F697-Q797 VanDerWaalsContact CG-NE2 3.35Å; F697-Q797 HydrophobicContact CZ-CB 3.78Å; F697-Q797 WeakPolarHBondContact CZ-O 3.38Å; F697-M801 HydrophobicContact CZ-CG 4.4Å; F697-M801 HydrophobicContact CZ-SD 4.42Å
698D92.6Very high88.3Confident81 Ų8131.8 Ų31.843%0.43320%0.195SC..Hα-helixtrans-60.9-39.9-176.2-60.3-23.1000112H598 A696H598-D698 IonicContact CE1-OD2 3.9Å; A696-D698 PolarHBondContact O-N 3.4Å
699T93.6Very high90.1Very high11 Ų1131.1 Ų31.17%0.06718%0.182CC..Hα-helixtrans-66.7-39176.7-48.20000111.6T601 T605 V609 A696 F697 Q702T601-T699 HydrophobicContact CG2-CG2 4.29Å; T605-T699 WeakPolarHBondContact OG1-CG2 3.46Å; V609-T699 HydrophobicContact CG2-CG2 3.7Å; A696-T699 PolarHBondContact O-N 3.5Å; F697-T699 VanDerWaalsContact C-N 3.29Å; F697-T699 PolarHBondContact O-N 2.68Å; T699-Q702 WeakPolarHBondContact O-CG 3.16Å; T699-Q702 PolarHBondContact O-NE2 2.88Å
700F95.5Very high91.7Very high0 Ų028.7 Ų28.70%016%0.162CC..Hα-helixtrans-80.3-30-178.9-87-114.2000113.1T601 L660 V663 L664 A696 F697 Q702 L703 L704 L786 F794T601-F700 HydrophobicContact CG2-CE2 4.46Å; L660-F700 HydrophobicContact CB-CE1 3.87Å; L660-F700 HydrophobicContact CB-CZ 3.88Å; L660-F700 HydrophobicContact CD2-CE1 3.79Å; L660-F700 HydrophobicContact CD2-CE2 3.92Å; L660-F700 HydrophobicContact CD2-CZ 3.44Å; L660-F700 VanDerWaalsContact CD2-CZ 3.44Å; L660-F700 HydrophobicContact CG-CE1 4.3Å; L660-F700 HydrophobicContact CG-CZ 4.24Å; L660-F700 WeakPolarHBondContact O-CZ 3.42Å; V663-F700 HydrophobicContact CG1-CE2 4.3Å; L664-F700 HydrophobicContact CD1-CD1 3.8Å; L664-F700 HydrophobicContact CD1-CE1 3.29Å; L664-F700 HydrophobicContact CD1-CZ 3.92Å; L664-F700 HydrophobicContact CD2-CD1 4.47Å; L664-F700 HydrophobicContact CD2-CE1 4.21Å; L664-F700 HydrophobicContact CD2-CZ 4.22Å; L664-F700 HydrophobicContact CG-CD1 4.28Å; L664-F700 HydrophobicContact CG-CE1 3.61Å; L664-F700 HydrophobicContact CG-CE2 4.42Å; L664-F700 HydrophobicContact CG-CZ 3.67Å; A696-F700 HydrophobicContact CB-CD2 4.01Å; A696-F700 HydrophobicContact CB-CE2 4.11Å; A696-F700 VanDerWaalsContact O-CD2 3.28Å; A696-F700 WeakPolarHBondContact O-CD2 3.42Å; A696-F700 PolarHBondContact O-N 3.24Å; A696-F700 VanDerWaalsContact O-N 3.08Å; F697-F700 CarbonylContact O-C 3.47Å; F697-F700 PolarHBondContact O-N 2.87Å; F700-Q702 PolarHBondContact O-N 3.01Å; F700-Q702 VanDerWaalsContact O-N 3.12Å; F700-L703 CarbonylContact O-C 3.55Å; F700-L703 WeakPolarHBondContact O-CA 3.27Å; F700-L703 WeakPolarHBondContact O-CB 3.36Å; F700-L703 PolarHBondContact O-N 3.12Å; F700-L704 WeakPolarHBondContact O-CG 2.94Å; F700-L704 PolarHBondContact O-N 3.11Å; F700-L786 HydrophobicContact CE1-CD1 4.25Å; F700-F794 HydrophobicContact CB-CE2 3.67Å; F700-F794 HydrophobicContact CB-CZ 3.43Å; F700-F794 VanDerWaalsContact CB-CZ 3.43Å; F700-F794 HydrophobicContact CD1-CE2 4.09Å; F700-F794 AromaticContact CD1-CZ 3.86Å; F700-F794 HydrophobicContact CD1-CZ 3.86Å; F700-F794 HydrophobicContact CD2-CZ 4.26Å; F700-F794 HydrophobicContact CG-CE2 4.09Å; F700-F794 AromaticContact CG-CZ 3.6Å; F700-F794 HydrophobicContact CG-CZ 3.6Å
701Q95Very high93.3Very high91 Ų9124 Ų2443%0.42514%0.138SC..Hα-helixtrans-53.6-40.2-174.1-174.9-176.33.100111.8F697 M801F697-Q701 HydrophobicContact CE1-CB 4.24Å; F697-Q701 HydrophobicContact CE1-CG 4.19Å; F697-Q701 HydrophobicContact CZ-CB 4.3Å; F697-Q701 HydrophobicContact CZ-CG 4.11Å; F697-Q701 WeakPolarHBondContact O-CB 3.43Å; F697-Q701 PolarHBondContact O-N 3.42Å; Q701-M801 HydrophobicContact CG-SD 4.19Å
702Q92.2Very high94.4Very high99 Ų9924.1 Ų24.146%0.46314%0.137SC..THydrogen-bonded Turntrans-70.4-25.9175.157.8179.1-6.500114.1V609 T699 F700V609-Q702 VanDerWaalsContact CG1-NE2 3.28Å; T699-Q702 WeakPolarHBondContact O-CG 3.16Å; T699-Q702 PolarHBondContact O-NE2 2.88Å; F700-Q702 PolarHBondContact O-N 3.01Å; F700-Q702 VanDerWaalsContact O-N 3.12Å
703L95.5Very high95Very high0 Ų022.9 Ų22.90%013%0.126CC..THydrogen-bonded Turntrans-88.2-26-178.9-53.5-176000112.8V609 W612 L660 F700 P705 A706 I707V609-L703 HydrophobicContact CB-CD2 4.48Å; V609-L703 HydrophobicContact CG1-CD2 4.37Å; V609-L703 HydrophobicContact CG2-CD1 4.05Å; V609-L703 HydrophobicContact CG2-CD2 4.38Å; W612-L703 HydrophobicContact CB-CD2 3.86Å; L660-L703 HydrophobicContact CD1-CD1 4.18Å; L660-L703 HydrophobicContact CD2-CD1 3.76Å; F700-L703 CarbonylContact O-C 3.55Å; F700-L703 WeakPolarHBondContact O-CA 3.27Å; F700-L703 WeakPolarHBondContact O-CB 3.36Å; F700-L703 PolarHBondContact O-N 3.12Å; L703-P705 VanDerWaalsContact C-N 3.35Å; L703-A706 PolarHBondContact O-N 2.94Å; L703-I707 HydrophobicContact CB-CD1 3.96Å; L703-I707 HydrophobicContact CB-CG1 4.47Å; L703-I707 WeakPolarHBondContact O-CG1 3.42Å; L703-I707 PolarHBondContact O-N 2.98Å
704L96.2Very high95.5Very high0 Ų021.7 Ų21.70%012%0.12CC..Hα-helixtrans-49.5-47.6-175.5-74176.2000112.5F700 A706 I707 F708 C790 F794 F798 M801 M807F700-L704 WeakPolarHBondContact O-CG 2.94Å; F700-L704 PolarHBondContact O-N 3.11Å; L704-A706 VanDerWaalsContact C-N 3.31Å; L704-A706 PolarHBondContact O-N 3.48Å; L704-I707 PolarHBondContact O-N 2.91Å; L704-F708 HydrophobicContact CD2-CE2 4.02Å; L704-F708 VanDerWaalsContact O-CD2 3.28Å; L704-F708 WeakPolarHBondContact O-CD2 3.34Å; L704-F708 PolarHBondContact O-N 3.12Å; L704-C790 HydrophobicContact CD2-CB 3.72Å; L704-F794 HydrophobicContact CD2-CE2 4.26Å; L704-F798 HydrophobicContact CD1-CD2 4.11Å; L704-F798 HydrophobicContact CD1-CE2 4.44Å; L704-M801 HydrophobicContact CD1-CE 3.49Å; L704-M801 VanDerWaalsContact CD1-CE 3.49Å; L704-M801 HydrophobicContact CD1-SD 3.85Å; L704-M807 HydrophobicContact CB-CE 3.54Å; L704-M807 VanDerWaalsContact O-CE 3.28Å; L704-M807 WeakPolarHBondContact O-CE 3.11Å
705P94.7Very high95.7Very high62 Ų6221.8 Ų21.840%0.40312%0.12SC..Hα-helixtrans-57.8-41.4178-25.735.8000113.4L703 S709L703-P705 VanDerWaalsContact C-N 3.35Å; P705-S709 VanDerWaalsContact O-CB 3.25Å; P705-S709 WeakPolarHBondContact O-CB 3.3Å; P705-S709 PolarHBondContact O-N 2.83Å
706A95.3Very high95.8Very high16 Ų1621.8 Ų21.813%0.13212%0.12CC..Hα-helixtrans-69.4-41179.600000112.1W612 L703 L704 S709 F710W612-A706 HydrophobicContact CE3-CB 4.03Å; L703-A706 PolarHBondContact O-N 2.94Å; L704-A706 VanDerWaalsContact C-N 3.31Å; L704-A706 PolarHBondContact O-N 3.48Å; A706-S709 PolarHBondContact O-N 3.31Å; A706-F710 WeakPolarHBondContact O-CB 3.3Å; A706-F710 PolarHBondContact O-N 2.91Å
707I96.3Very high95.8Very high2 Ų222.1 Ų22.11%0.0112%0.122CC..Hα-helixtrans-61.1-47.5177.8-65.4165.9000110.7L660 L703 L704 F710 A711 L786L660-I707 HydrophobicContact CD1-CD1 4Å; L660-I707 HydrophobicContact CD1-CG1 4.42Å; L703-I707 HydrophobicContact CB-CD1 3.96Å; L703-I707 HydrophobicContact CB-CG1 4.47Å; L703-I707 WeakPolarHBondContact O-CG1 3.42Å; L703-I707 PolarHBondContact O-N 2.98Å; L704-I707 PolarHBondContact O-N 2.91Å; I707-F710 WeakPolarHBondContact O-CB 3.38Å; I707-F710 PolarHBondContact O-N 3.11Å; I707-A711 PolarHBondContact O-N 3.13Å; I707-L786 HydrophobicContact CD1-CD2 4.23Å; I707-L786 HydrophobicContact CG1-CD2 4.36Å; I707-L786 HydrophobicContact CG2-CD2 3.98Å; I707-L786 HydrophobicContact CG2-CG 4.17Å
708F97.6Very high95.8Very high3 Ų322.6 Ų22.61%0.01313%0.127CC..Hα-helixtrans-73.3-32.1-179.3-80.5-98.9000112.5L704 F710 A711 C712 A787 C790 V791 F798 M807 L808 G811 L812L704-F708 HydrophobicContact CD2-CE2 4.02Å; L704-F708 VanDerWaalsContact O-CD2 3.28Å; L704-F708 WeakPolarHBondContact O-CD2 3.34Å; L704-F708 PolarHBondContact O-N 3.12Å; F708-F710 VanDerWaalsContact C-N 3.31Å; F708-A711 PolarHBondContact O-N 2.98Å; F708-C712 PolarHBondContact O-N 3.32Å; F708-C712 VanDerWaalsContact O-N 3.12Å; F708-A787 HydrophobicContact CE1-CB 4.4Å; F708-A787 HydrophobicContact CZ-CB 4.29Å; F708-C790 HydrophobicContact CE2-CB 4.38Å; F708-V791 HydrophobicContact CE1-CG2 4.43Å; F708-V791 HydrophobicContact CZ-CG2 3.8Å; F708-F798 HydrophobicContact CE1-CZ 4.45Å; F708-F798 AromaticContact CE2-CE2 3.97Å; F708-F798 HydrophobicContact CE2-CE2 3.97Å; F708-F798 HydrophobicContact CE2-CZ 4.44Å; F708-F798 AromaticContact CZ-CE2 3.86Å; F708-F798 HydrophobicContact CZ-CE2 3.86Å; F708-F798 AromaticContact CZ-CZ 3.95Å; F708-F798 HydrophobicContact CZ-CZ 3.95Å; F708-M807 HydrophobicContact CB-CB 4.4Å; F708-M807 HydrophobicContact CB-CE 3.94Å; F708-M807 HydrophobicContact CD1-CB 4.02Å; F708-M807 HydrophobicContact CD1-CE 4.47Å; F708-M807 VanDerWaalsContact CD1-O 3.22Å; F708-M807 WeakPolarHBondContact CD1-O 3.29Å; F708-M807 HydrophobicContact CD2-CE 3.26Å; F708-M807 HydrophobicContact CE1-CB 4.45Å; F708-M807 HydrophobicContact CE2-CE 3.81Å; F708-M807 HydrophobicContact CG-CB 4.11Å; F708-M807 HydrophobicContact CG-CE 3.63Å; F708-L808 HydrophobicContact CE1-CD2 4.15Å; F708-G811 CarbonylContact O-C 3.57Å; F708-G811 VanDerWaalsContact O-CA 3.25Å; F708-G811 WeakPolarHBondContact O-CA 3.37Å; F708-L812 HydrophobicContact CD1-CB 3.89Å; F708-L812 HydrophobicContact CE1-CB 3.96Å
709S96.8Very high95.9Very high41 Ų4121.6 Ų21.629%0.28712%0.12SC..Hα-helixtrans-64-38.9169.2-164.20000111.1V621 P705 A706 C712 C713V621-S709 PolarHBondContact O-OG 3.24Å; P705-S709 VanDerWaalsContact O-CB 3.25Å; P705-S709 WeakPolarHBondContact O-CB 3.3Å; P705-S709 PolarHBondContact O-N 2.83Å; A706-S709 PolarHBondContact O-N 3.31Å; S709-C712 VanDerWaalsContact O-CB 3.32Å; S709-C712 WeakPolarHBondContact O-CB 3.14Å; S709-C712 PolarHBondContact O-N 2.88Å; S709-C713 PolarHBondContact O-N 2.74Å; S709-C713 PolarHBondContact O-SG 2.99Å; S709-C713 VanDerWaalsContact O-SG 3.35Å
710F97.9Very high95.8Very high1 Ų126.5 Ų26.50%0.00414%0.142CC..Hα-helixtrans-65.3-42.3176.6-176.3-132.6000112.3W612 V621 F627 F653 A706 I707 F708 C712 C713 L714 V779 T783W612-F710 HydrophobicContact CH2-CB 4.18Å; W612-F710 AromaticContact CH2-CD1 3.6Å; W612-F710 HydrophobicContact CH2-CD1 3.6Å; W612-F710 HydrophobicContact CH2-CE1 4.16Å; W612-F710 AromaticContact CH2-CG 3.98Å; W612-F710 HydrophobicContact CH2-CG 3.98Å; W612-F710 HydrophobicContact CZ3-CB 4.11Å; W612-F710 HydrophobicContact CZ3-CD1 4.34Å; W612-F710 HydrophobicContact CZ3-CG 4.28Å; V621-F710 HydrophobicContact CB-CB 4.21Å; V621-F710 HydrophobicContact CB-CD2 4.42Å; V621-F710 HydrophobicContact CG1-CB 4.05Å; V621-F710 HydrophobicContact CG1-CD2 3.71Å; V621-F710 HydrophobicContact CG1-CG 4.13Å; F627-F710 HydrophobicContact CD1-CE2 4.47Å; F627-F710 AromaticContact CD2-CE2 3.88Å; F627-F710 HydrophobicContact CD2-CE2 3.88Å; F627-F710 HydrophobicContact CE1-CE2 4.09Å; F627-F710 HydrophobicContact CE2-CD2 4.44Å; F627-F710 AromaticContact CE2-CE2 3.45Å; F627-F710 HydrophobicContact CE2-CE2 3.45Å; F627-F710 VanDerWaalsContact CE2-CE2 3.45Å; F627-F710 HydrophobicContact CE2-CZ 4.07Å; F627-F710 HydrophobicContact CG-CE2 4.37Å; F627-F710 AromaticContact CZ-CE2 3.56Å; F627-F710 HydrophobicContact CZ-CE2 3.56Å; F627-F710 AromaticContact CZ-CZ 3.97Å; F627-F710 HydrophobicContact CZ-CZ 3.97Å; F653-F710 AromaticContact CD1-CE1 3.98Å; F653-F710 HydrophobicContact CD1-CE1 3.98Å; F653-F710 AromaticContact CD1-CE2 3.97Å; F653-F710 HydrophobicContact CD1-CE2 3.97Å; F653-F710 AromaticContact CD1-CZ 3.61Å; F653-F710 HydrophobicContact CD1-CZ 3.61Å; F653-F710 HydrophobicContact CE1-CD2 4.22Å; F653-F710 HydrophobicContact CE1-CE1 4.48Å; F653-F710 AromaticContact CE1-CE2 3.92Å; F653-F710 HydrophobicContact CE1-CE2 3.92Å; F653-F710 HydrophobicContact CE1-CZ 4.04Å; F653-F710 HydrophobicContact CG-CZ 4.41Å; A706-F710 WeakPolarHBondContact O-CB 3.3Å; A706-F710 PolarHBondContact O-N 2.91Å; I707-F710 WeakPolarHBondContact O-CB 3.38Å; I707-F710 PolarHBondContact O-N 3.11Å; F708-F710 VanDerWaalsContact C-N 3.31Å; F710-C712 VanDerWaalsContact C-N 3.3Å; F710-C712 PolarHBondContact O-N 3.47Å; F710-C713 WeakPolarHBondContact O-CB 3.25Å; F710-C713 PolarHBondContact O-N 3.11Å; F710-C713 VanDerWaalsContact O-N 3.13Å; F710-L714 HydrophobicContact CD1-CD1 4.17Å; F710-L714 HydrophobicContact CD2-CG 4.22Å; F710-L714 HydrophobicContact CE1-CD1 3.81Å; F710-L714 HydrophobicContact CE1-CG 4.43Å; F710-L714 HydrophobicContact CE2-CD1 4.14Å; F710-L714 HydrophobicContact CE2-CD2 3.86Å; F710-L714 HydrophobicContact CE2-CG 3.86Å; F710-L714 HydrophobicContact CZ-CD1 3.79Å; F710-L714 HydrophobicContact CZ-CD2 3.95Å; F710-L714 HydrophobicContact CZ-CG 3.99Å; F710-L714 WeakPolarHBondContact O-CG 3.39Å; F710-L714 PolarHBondContact O-N 3.32Å; F710-V779 HydrophobicContact CE1-CG2 3.85Å; F710-V779 HydrophobicContact CZ-CG2 3.76Å; F710-T783 HydrophobicContact CD1-CG2 3.89Å; F710-T783 HydrophobicContact CE1-CG2 4.41Å; F710-T783 WeakPolarHBondContact CE1-OG1 3.25Å
711A97.7Very high95.7Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-56-44.6171.200000111.9I707 F708 C713 L714 N715 T783 L812I707-A711 PolarHBondContact O-N 3.13Å; F708-A711 PolarHBondContact O-N 2.98Å; A711-C713 VanDerWaalsContact C-N 3.35Å; A711-C713 PolarHBondContact O-N 3.37Å; A711-L714 PolarHBondContact O-N 3.47Å; A711-N715 VanDerWaalsContact O-CG 3.32Å; A711-N715 PolarHBondContact O-N 3.01Å; A711-N715 PolarHBondContact O-ND2 3.34Å; A711-T783 HydrophobicContact CB-CG2 3.99Å; A711-L812 HydrophobicContact CB-CD1 4.35Å
712C97.5Very high95.7Very high22 Ų2224.3 Ų24.315%0.14914%0.137CC..Hα-helixtrans-60.3-42174.8-172.70000112.5F708 S709 F710 N715 G716 D810 G811 N815F708-C712 PolarHBondContact O-N 3.32Å; F708-C712 VanDerWaalsContact O-N 3.12Å; S709-C712 VanDerWaalsContact O-CB 3.32Å; S709-C712 WeakPolarHBondContact O-CB 3.14Å; S709-C712 PolarHBondContact O-N 2.88Å; F710-C712 VanDerWaalsContact C-N 3.3Å; F710-C712 PolarHBondContact O-N 3.47Å; C712-N715 PolarHBondContact O-N 2.97Å; C712-G716 PolarHBondContact O-N 3.1Å; C712-D810 PolarHBondContact SG-O 3.16Å; C712-G811 VanDerWaalsContact CA-O 3.31Å; C712-G811 WeakPolarHBondContact CA-O 3.27Å; C712-G811 WeakPolarHBondContact CB-O 3.49Å; C712-G811 PolarHBondContact N-O 2.94Å; C712-N815 PolarHBondContact O-ND2 3.48Å; C712-N815 VanDerWaalsContact O-ND2 3.1Å; C712-N815 PolarHBondContact SG-ND2 3.3Å
713C97Very high95.7Very high3 Ų321.8 Ų21.82%0.0213%0.126CC..Hα-helixtrans-61-46.2175.4-71.30000111.7V621 S624 F627 S709 F710 A711 N715 G716 I717V621-C713 PolarHBondContact O-SG 3.37Å; S624-C713 WeakPolarHBondContact CB-O 3.33Å; S624-C713 WeakPolarHBondContact OG-CA 3.22Å; S624-C713 PolarHBondContact OG-O 3.44Å; F627-C713 HydrophobicContact CB-CB 4.49Å; S709-C713 PolarHBondContact O-N 2.74Å; S709-C713 PolarHBondContact O-SG 2.99Å; S709-C713 VanDerWaalsContact O-SG 3.35Å; F710-C713 WeakPolarHBondContact O-CB 3.25Å; F710-C713 PolarHBondContact O-N 3.11Å; F710-C713 VanDerWaalsContact O-N 3.13Å; A711-C713 VanDerWaalsContact C-N 3.35Å; A711-C713 PolarHBondContact O-N 3.37Å; C713-N715 VanDerWaalsContact C-N 3.34Å; C713-N715 PolarHBondContact O-N 3.17Å; C713-G716 PolarHBondContact O-N 3.26Å; C713-G716 VanDerWaalsContact O-N 3.11Å; C713-I717 WeakPolarHBondContact O-CG2 3.3Å; C713-I717 PolarHBondContact O-N 3.3Å
714L97.2Very high95.6Very high5 Ų530.9 Ų30.93%0.02616%0.16CC..Hα-helixtrans-63.1-39.2-179.7-70.5177.7000112.1F627 F710 A711 G716 I717 V779 I780 T783F627-L714 HydrophobicContact CD1-CD2 4.49Å; F627-L714 HydrophobicContact CE1-CD2 3.79Å; F627-L714 HydrophobicContact CZ-CD2 4.26Å; F710-L714 HydrophobicContact CD1-CD1 4.17Å; F710-L714 HydrophobicContact CD2-CG 4.22Å; F710-L714 HydrophobicContact CE1-CD1 3.81Å; F710-L714 HydrophobicContact CE1-CG 4.43Å; F710-L714 HydrophobicContact CE2-CD1 4.14Å; F710-L714 HydrophobicContact CE2-CD2 3.86Å; F710-L714 HydrophobicContact CE2-CG 3.86Å; F710-L714 HydrophobicContact CZ-CD1 3.79Å; F710-L714 HydrophobicContact CZ-CD2 3.95Å; F710-L714 HydrophobicContact CZ-CG 3.99Å; F710-L714 WeakPolarHBondContact O-CG 3.39Å; F710-L714 PolarHBondContact O-N 3.32Å; A711-L714 PolarHBondContact O-N 3.47Å; L714-G716 PolarHBondContact O-N 2.97Å; L714-I717 WeakPolarHBondContact O-CG1 3.32Å; L714-I717 PolarHBondContact O-N 3.34Å; L714-V779 HydrophobicContact CD1-CG1 4.4Å; L714-V779 HydrophobicContact CD2-CG1 4.01Å; L714-I780 HydrophobicContact CB-CG1 4.21Å; L714-I780 HydrophobicContact CD1-CG1 4.11Å; L714-I780 HydrophobicContact CD2-CG1 4.17Å; L714-I780 HydrophobicContact CG-CG1 4.4Å; L714-T783 HydrophobicContact CD1-CG2 3.99Å; L714-T783 WeakPolarHBondContact CD1-OG1 3.22Å
715N96.7Very high95.6Very high4 Ų435.3 Ų35.32%0.02118%0.18CC..Hα-helixtrans-63-30.4174.6-69.4-19.2000112.9A711 C712 C713 F784 L812 G814 N815 C819A711-N715 VanDerWaalsContact O-CG 3.32Å; A711-N715 PolarHBondContact O-N 3.01Å; A711-N715 PolarHBondContact O-ND2 3.34Å; C712-N715 PolarHBondContact O-N 2.97Å; C713-N715 VanDerWaalsContact C-N 3.34Å; C713-N715 PolarHBondContact O-N 3.17Å; N715-F784 WeakPolarHBondContact OD1-CE1 3.31Å; N715-F784 VanDerWaalsContact OD1-CZ 3.31Å; N715-F784 WeakPolarHBondContact OD1-CZ 3.17Å; N715-L812 PolarHBondContact ND2-O 3.41Å; N715-G814 WeakPolarHBondContact CB-O 3.49Å; N715-G814 PolarHBondContact ND2-O 3.32Å; N715-N815 HydrophobicContact CB-CB 3.94Å; N715-C819 VanDerWaalsContact CB-SG 3.6Å; N715-C819 PolarHBondContact OD1-SG 3.06Å
716G96.1Very high95.6Very high0 Ų032.9 Ų32.90%016%0.163CC..THydrogen-bonded Turntrans-942.9-176.100000116.3S624 C712 C713 L714 C718 Q719S624-G716 VanDerWaalsContact OG-C 3.29Å; S624-G716 VanDerWaalsContact OG-CA 3.28Å; S624-G716 WeakPolarHBondContact OG-CA 3.5Å; C712-G716 PolarHBondContact O-N 3.1Å; C713-G716 PolarHBondContact O-N 3.26Å; C713-G716 VanDerWaalsContact O-N 3.11Å; L714-G716 PolarHBondContact O-N 2.97Å; G716-C718 PolarHBondContact O-N 3.13Å; G716-Q719 VanDerWaalsContact O-CB 3.24Å; G716-Q719 WeakPolarHBondContact O-CB 3.26Å; G716-Q719 PolarHBondContact O-N 3.38Å
717I95.9Very high95.6Very high7 Ų735.1 Ų35.14%0.03617%0.17CC..THydrogen-bonded Turntrans-62.4-26.9-175.464.1-173.8000113.5F627 L628 C713 L714 Q719 C722 L736 F776 I780F627-I717 HydrophobicContact CD1-CG2 4.5Å; L628-I717 HydrophobicContact CD2-CB 4.34Å; L628-I717 HydrophobicContact CD2-CG2 4.02Å; C713-I717 WeakPolarHBondContact O-CG2 3.3Å; C713-I717 PolarHBondContact O-N 3.3Å; L714-I717 WeakPolarHBondContact O-CG1 3.32Å; L714-I717 PolarHBondContact O-N 3.34Å; I717-Q719 VanDerWaalsContact C-N 3.28Å; I717-Q719 PolarHBondContact O-N 3.43Å; I717-C722 VanDerWaalsContact O-CB 3.31Å; I717-C722 WeakPolarHBondContact O-CB 3.39Å; I717-L736 HydrophobicContact CB-CD1 4.44Å; I717-L736 HydrophobicContact CD1-CD2 4.28Å; I717-L736 HydrophobicContact CG1-CD1 4.37Å; I717-L736 WeakPolarHBondContact O-CD1 2.94Å; I717-F776 HydrophobicContact CD1-CD1 3.72Å; I717-F776 HydrophobicContact CD1-CE1 3.84Å; I717-F776 HydrophobicContact CD1-CG 4.43Å; I717-F776 HydrophobicContact CG2-CE1 4.39Å; I717-I780 HydrophobicContact CD1-CD1 4.16Å
718C94.6Very high95.4Very high26 Ų2640 Ų4018%0.17620%0.202CC..THydrogen-bonded Turntrans-88.110.2178-64.30000113.3G716 I723 Y818G716-C718 PolarHBondContact O-N 3.13Å; C718-I723 HydrophobicContact CB-CD1 4.35Å; C718-I723 WeakPolarHBondContact O-CD1 3.25Å; C718-Y818 WeakPolarHBondContact CB-O 3.26Å
719Q94.5Very high95.2Very high60 Ų6041.8 Ų41.828%0.2822%0.215SC..SBendtrans-63.6142.6172.7-167.4178.411.600110.6G716 I717 S721 C722 I723 Y818G716-Q719 VanDerWaalsContact O-CB 3.24Å; G716-Q719 WeakPolarHBondContact O-CB 3.26Å; G716-Q719 PolarHBondContact O-N 3.38Å; I717-Q719 VanDerWaalsContact C-N 3.28Å; I717-Q719 PolarHBondContact O-N 3.43Å; Q719-S721 PolarHBondContact O-N 2.88Å; Q719-S721 VanDerWaalsContact O-N 3.12Å; Q719-C722 WeakPolarHBondContact O-CA 3.35Å; Q719-C722 VanDerWaalsContact O-CB 3.32Å; Q719-C722 WeakPolarHBondContact O-CB 3.29Å; Q719-C722 PolarHBondContact O-N 2.98Å; Q719-I723 PolarHBondContact O-N 2.63Å; Q719-Y818 HydrophobicContact CB-CD1 4.38Å; Q719-Y818 HydrophobicContact CB-CD2 4.5Å; Q719-Y818 HydrophobicContact CB-CG 4.31Å; Q719-Y818 HydrophobicContact CG-CD1 4.26Å; Q719-Y818 HydrophobicContact CG-CE1 4.03Å; Q719-Y818 HydrophobicContact CG-CE2 4.31Å
720E92.7Very high94.9Very high114 Ų11439.9 Ų39.953%0.53320%0.202SC..Hα-helixtrans-50.6-39.9-178.8-172.178.7-157.900113.1C722 R724E720-C722 VanDerWaalsContact C-N 3.3Å; E720-C722 PolarHBondContact O-N 3.02Å; E720-R724 WeakPolarHBondContact O-CG 3.27Å; E720-R724 PolarHBondContact O-N 3.14Å; E720-R724 IonicContact OE1-CZ 2.7Å; E720-R724 IonicContact OE1-NE 2.59Å; E720-R724 PolarHBondContact OE1-NE 2.91Å; E720-R724 IonicContact OE1-NH2 3.54Å; E720-R724 PolarHBondContact OE1-NH2 2.83Å
721S92.4Very high94.4Very high44 Ų4441.5 Ų41.531%0.30822%0.219SC..Hα-helixtrans-62.4-34.9177.749.20000113.2Q719Q719-S721 PolarHBondContact O-N 2.88Å; Q719-S721 VanDerWaalsContact O-N 3.12Å
722C94.2Very high93.9Very high1 Ų142.3 Ų42.31%0.00723%0.227CC..Hα-helixtrans-77.1-50.7178.3-70.60000110.8L628 I717 Q719 E720 R724 K725 I726L628-C722 HydrophobicContact CD1-CB 3.62Å; I717-C722 VanDerWaalsContact O-CB 3.31Å; I717-C722 WeakPolarHBondContact O-CB 3.39Å; Q719-C722 WeakPolarHBondContact O-CA 3.35Å; Q719-C722 VanDerWaalsContact O-CB 3.32Å; Q719-C722 WeakPolarHBondContact O-CB 3.29Å; Q719-C722 PolarHBondContact O-N 2.98Å; E720-C722 VanDerWaalsContact C-N 3.3Å; E720-C722 PolarHBondContact O-N 3.02Å; C722-R724 VanDerWaalsContact C-N 3.31Å; C722-R724 PolarHBondContact O-N 2.9Å; C722-K725 PolarHBondContact O-N 3.35Å; C722-I726 PolarHBondContact O-N 3.4Å
723I93.6Very high93.4Very high46 Ų4648.3 Ų48.324%0.23625%0.248CC..Hα-helixtrans-56.2-44.9-175.9-74174.4000111.8C718 Q719 K725 I726 Y733 L736C718-I723 HydrophobicContact CB-CD1 4.35Å; C718-I723 WeakPolarHBondContact O-CD1 3.25Å; Q719-I723 PolarHBondContact O-N 2.63Å; I723-K725 PolarHBondContact O-N 3.46Å; I723-K725 VanDerWaalsContact O-N 3.16Å; I723-I726 PolarHBondContact O-N 3.04Å; I723-Y733 HydrophobicContact CG2-CG 4.45Å; I723-L736 HydrophobicContact CG1-CD1 4.35Å
724R93.8Very high93.1Very high191 Ų19154 Ų5472%0.72127%0.272SS*.THydrogen-bonded Turntrans-64.1-20-178-71.4179-177.4-164.73.4114.1E720 C722E720-R724 WeakPolarHBondContact O-CG 3.27Å; E720-R724 PolarHBondContact O-N 3.14Å; E720-R724 IonicContact OE1-CZ 2.7Å; E720-R724 IonicContact OE1-NE 2.59Å; E720-R724 PolarHBondContact OE1-NE 2.91Å; E720-R724 IonicContact OE1-NH2 3.54Å; E720-R724 PolarHBondContact OE1-NH2 2.83Å; C722-R724 VanDerWaalsContact C-N 3.31Å; C722-R724 PolarHBondContact O-N 2.9Å
725K94.9Very high92.9Very high94 Ų9453.7 Ų53.741%0.40927%0.271SS..THydrogen-bonded Turntrans-93.7-13.9-178.5-70177.1177170.80113.1E625 F634 C722 I723 H727E625-K725 HydrophobicContact CG-CD 4.29Å; E625-K725 IonicContact OE1-NZ 3.75Å; E625-K725 PolarHBondContact OE1-NZ 3.36Å; E625-K725 IonicContact OE2-NZ 2.96Å; E625-K725 PolarHBondContact OE2-NZ 3.48Å; F634-K725 VanDerWaalsContact CD1-C 3.49Å; F634-K725 HydrophobicContact CD1-CB 3.62Å; F634-K725 WeakPolarHBondContact CD1-O 3.35Å; F634-K725 HydrophobicContact CD2-CB 4.32Å; F634-K725 HydrophobicContact CE1-CB 3.43Å; F634-K725 VanDerWaalsContact CE1-CB 3.43Å; F634-K725 HydrophobicContact CE2-CB 4.16Å; F634-K725 HydrophobicContact CE2-CD 4.13Å; F634-K725 HydrophobicContact CG-CB 4.09Å; F634-K725 HydrophobicContact CZ-CB 3.73Å; F634-K725 HydrophobicContact CZ-CD 4.16Å; C722-K725 PolarHBondContact O-N 3.35Å; I723-K725 PolarHBondContact O-N 3.46Å; I723-K725 VanDerWaalsContact O-N 3.16Å; K725-H727 PolarHBondContact O-N 3.3Å
726I94.8Very high92.8Very high10 Ų1053.9 Ų53.95%0.05127%0.272CS..SBendtrans-61.9126.9177.3-64.4173.2000109.2C722 I723 G732 V735 L736C722-I726 PolarHBondContact O-N 3.4Å; I723-I726 PolarHBondContact O-N 3.04Å; I726-G732 WeakPolarHBondContact CG2-O 3.5Å; I726-V735 HydrophobicContact CD1-CG1 4.31Å; I726-V735 HydrophobicContact CG2-CG1 4.17Å; I726-L736 HydrophobicContact CD1-CD1 3.69Å; I726-L736 HydrophobicContact CD1-CD2 4.37Å; I726-L736 HydrophobicContact CD1-CG 3.91Å
727H94.5Very high92.6Very high63 Ų6356.3 Ų56.329%0.29229%0.285SS..  trans-65.8135.6-177.2-169.8-88.9000110.5L633 Q635 K725 S729 Y730L633-H727 PolarHBondContact O-N 3.03Å; Q635-H727 WeakPolarHBondContact O-CB 3.4Å; K725-H727 PolarHBondContact O-N 3.3Å; H727-S729 VanDerWaalsContact ND1-CB 3.34Å; H727-S729 WeakPolarHBondContact ND1-CB 3.45Å; H727-S729 PolarHBondContact ND1-N 2.97Å; H727-S729 VanDerWaalsContact ND1-N 3.18Å; H727-S729 PolarHBondContact ND1-OG 2.97Å; H727-S729 PolarHBondContact O-N 3.06Å; H727-Y730 HydrophobicContact CB-CD2 4.35Å; H727-Y730 PolarHBondContact O-N 3.48Å; H727-Y730 VanDerWaalsContact O-N 3.11Å
728P93.2Very high92.4Very high104 Ų10456.4 Ų56.468%0.67529%0.285SS*.G310 helixtrans-57.3-21-176.9-28.135.1000115.3Y730 G731P728-Y730 PolarHBondContact O-N 3.17Å; P728-G731 PolarHBondContact O-N 2.8Å
729S92.4Very high92.2Very high41 Ų4156 Ų5629%0.28728%0.282SS..G310 helixtrans-61.8-21.2177.460.60000114.1I637 H727 G731I637-S729 WeakPolarHBondContact CD1-O 3.39Å; I637-S729 PolarHBondContact N-OG 3.38Å; H727-S729 VanDerWaalsContact ND1-CB 3.34Å; H727-S729 WeakPolarHBondContact ND1-CB 3.45Å; H727-S729 PolarHBondContact ND1-N 2.97Å; H727-S729 VanDerWaalsContact ND1-N 3.18Å; H727-S729 PolarHBondContact ND1-OG 2.97Å; H727-S729 PolarHBondContact O-N 3.06Å; S729-G731 VanDerWaalsContact C-N 3.29Å
730Y90.7Very high92Very high1 Ų157 Ų570%0.00428%0.284CS..G310 helixtrans-88.710.5175.4-66.7-80000113.2G632 L633 Q635 I637 H727 P728 G732 V735 V768 E769 V772G632-Y730 PolarHBondContact O-OH 3.27Å; L633-Y730 HydrophobicContact CD2-CD1 3.99Å; L633-Y730 HydrophobicContact CD2-CD2 3.84Å; L633-Y730 HydrophobicContact CD2-CE1 3.93Å; L633-Y730 HydrophobicContact CD2-CE2 3.76Å; L633-Y730 HydrophobicContact CD2-CG 3.95Å; Q635-Y730 VanDerWaalsContact O-CE2 3.27Å; Q635-Y730 WeakPolarHBondContact O-CE2 3.46Å; I637-Y730 HydrophobicContact CD1-CD1 3.74Å; I637-Y730 HydrophobicContact CD1-CE1 4.01Å; I637-Y730 HydrophobicContact CD1-CG 4.2Å; I637-Y730 HydrophobicContact CG1-CD1 3.6Å; I637-Y730 HydrophobicContact CG1-CD2 4.24Å; I637-Y730 HydrophobicContact CG1-CE1 3.4Å; I637-Y730 VanDerWaalsContact CG1-CE1 3.4Å; I637-Y730 HydrophobicContact CG1-CE2 4.07Å; I637-Y730 HydrophobicContact CG1-CG 4.02Å; H727-Y730 HydrophobicContact CB-CD2 4.35Å; H727-Y730 PolarHBondContact O-N 3.48Å; H727-Y730 VanDerWaalsContact O-N 3.11Å; P728-Y730 PolarHBondContact O-N 3.17Å; Y730-G732 VanDerWaalsContact C-N 3.32Å; Y730-V735 HydrophobicContact CD1-CG2 4.5Å; Y730-V768 HydrophobicContact CE1-CG1 4.12Å; Y730-E769 VanDerWaalsContact C-OE1 3.31Å; Y730-V772 HydrophobicContact CD1-CG2 4.27Å; Y730-V772 HydrophobicContact CE1-CG2 4Å
731G87.5Confident91.7Very high35 Ų3555.6 Ų55.636%0.36128%0.276SS..THydrogen-bonded Turntrans77.717.6-171.400000113.6P728 S729 E769P728-G731 PolarHBondContact O-N 2.8Å; S729-G731 VanDerWaalsContact C-N 3.29Å; G731-E769 PolarHBondContact N-OE1 2.79Å
732G87.5Confident91.7Very high18 Ų1853.8 Ų53.819%0.18626%0.263CS..G310 helixtrans66.8-137-178.600000112.5I726 Y730 K734 V735I726-G732 WeakPolarHBondContact CG2-O 3.5Å; Y730-G732 VanDerWaalsContact C-N 3.32Å; G732-K734 PolarHBondContact O-N 3.39Å; G732-V735 WeakPolarHBondContact O-CG1 3.19Å; G732-V735 PolarHBondContact O-N 3.49Å
733Y88.1Confident91.6Very high147 Ų14757.1 Ų57.158%0.57628%0.277SS*.G310 helixtrans-65.5-19.9-176.671.5-94.4000114.2I723 V735 L736I723-Y733 HydrophobicContact CG2-CG 4.45Å; Y733-V735 PolarHBondContact O-N 2.84Å; Y733-V735 VanDerWaalsContact O-N 3.11Å; Y733-L736 PolarHBondContact O-N 3.47Å
734K90.2Very high91.2Very high122 Ų12255.1 Ų55.153%0.5327%0.267SS..G310 helixtrans-64.5-14-179.4-64.9-175.5176.8-175.60113.8G732 L736 D737 R773G732-K734 PolarHBondContact O-N 3.39Å; K734-L736 PolarHBondContact O-N 3.34Å; K734-D737 WeakPolarHBondContact O-CB 3.17Å; K734-D737 PolarHBondContact O-N 3.48Å; K734-R773 PolarHBondContact O-NE 3.47Å; K734-R773 VanDerWaalsContact O-NE 3.08Å; K734-R773 PolarHBondContact O-NH2 3.05Å; K734-R773 VanDerWaalsContact O-NH2 3.11Å
735V93.3Very high90.9Very high0 Ų049.1 Ų49.10%025%0.252CS..G310 helixtrans-68.3-23.9172.678.40000112.4L633 I726 Y730 G732 Y733 V772L633-V735 HydrophobicContact CD1-CG1 4.46Å; I726-V735 HydrophobicContact CD1-CG1 4.31Å; I726-V735 HydrophobicContact CG2-CG1 4.17Å; Y730-V735 HydrophobicContact CD1-CG2 4.5Å; G732-V735 WeakPolarHBondContact O-CG1 3.19Å; G732-V735 PolarHBondContact O-N 3.49Å; Y733-V735 PolarHBondContact O-N 2.84Å; Y733-V735 VanDerWaalsContact O-N 3.11Å; V735-V772 HydrophobicContact CG2-CB 3.74Å; V735-V772 HydrophobicContact CG2-CG1 3.5Å; V735-V772 VanDerWaalsContact CG2-CG1 3.5Å
736L93.6Very high90.6Very high7 Ų745.3 Ų45.34%0.03724%0.236CC..G310 helixtrans-90.2-4177.5-55.2-177000113.3L633 I717 I723 I726 Y733 K734 F776L633-L736 HydrophobicContact CD1-CD2 4.36Å; I717-L736 HydrophobicContact CB-CD1 4.44Å; I717-L736 HydrophobicContact CD1-CD2 4.28Å; I717-L736 HydrophobicContact CG1-CD1 4.37Å; I717-L736 WeakPolarHBondContact O-CD1 2.94Å; I723-L736 HydrophobicContact CG1-CD1 4.35Å; I726-L736 HydrophobicContact CD1-CD1 3.69Å; I726-L736 HydrophobicContact CD1-CD2 4.37Å; I726-L736 HydrophobicContact CD1-CG 3.91Å; Y733-L736 PolarHBondContact O-N 3.47Å; K734-L736 PolarHBondContact O-N 3.34Å; L736-F776 HydrophobicContact CD2-CD2 3.87Å; L736-F776 HydrophobicContact CD2-CE1 4.21Å; L736-F776 HydrophobicContact CD2-CE2 3.35Å; L736-F776 HydrophobicContact CD2-CG 4.49Å; L736-F776 HydrophobicContact CD2-CZ 3.54Å
737D91.2Very high90.2Very high51 Ų5147.1 Ų47.127%0.27325%0.245SC..SBendtrans-71175.3-179.1-165.513.8000111.7K734 K743 R773K734-D737 WeakPolarHBondContact O-CB 3.17Å; K734-D737 PolarHBondContact O-N 3.48Å; D737-K743 IonicContact OD2-NZ 3.22Å; D737-K743 PolarHBondContact OD2-NZ 2.94Å; D737-R773 WeakPolarHBondContact O-CD 3.2Å; D737-R773 WeakPolarHBondContact O-CG 3.5Å
738L92.2Very high89.6Confident9 Ų947.3 Ų47.35%0.04726%0.264CS..  trans-66.2141.3174.8-71.676.9000111.3E742 K743 V746 R773 L820 Y822 F890L738-E742 WeakPolarHBondContact CA-OE2 3.4Å; L738-E742 HydrophobicContact CB-CB 4.05Å; L738-E742 HydrophobicContact CD2-CB 3.99Å; L738-E742 HydrophobicContact CG-CB 4.3Å; L738-K743 HydrophobicContact CB-CG 3.82Å; L738-K743 HydrophobicContact CD2-CG 4.4Å; L738-K743 WeakPolarHBondContact O-CE 3.17Å; L738-V746 HydrophobicContact CD2-CG2 4.37Å; L738-R773 VanDerWaalsContact O-CD 3.32Å; L738-R773 WeakPolarHBondContact O-CD 3.33Å; L738-L820 HydrophobicContact CD1-CD1 4.43Å; L738-Y822 HydrophobicContact CD1-CG 4.35Å; L738-Y822 HydrophobicContact CD2-CD1 3.97Å; L738-Y822 HydrophobicContact CD2-CD2 3.4Å; L738-Y822 VanDerWaalsContact CD2-CD2 3.4Å; L738-Y822 HydrophobicContact CD2-CE2 4.06Å; L738-Y822 HydrophobicContact CD2-CG 3.37Å; L738-Y822 HydrophobicContact CG-CD1 4.03Å; L738-Y822 HydrophobicContact CG-CD2 4.32Å; L738-Y822 HydrophobicContact CG-CG 3.78Å; L738-F890 HydrophobicContact CD2-CE2 4.34Å; L738-F890 HydrophobicContact CD2-CZ 3.87Å
739T92Very high89Confident17 Ų1744.4 Ų44.410%0.10424%0.244CC..  trans-63.5160.5166.964.70000111F741 E742 K743 R773 A777T739-F741 PolarHBondContact O-N 3.14Å; T739-E742 WeakPolarHBondContact CB-OE2 3.46Å; T739-E742 PolarHBondContact N-OE2 3.16Å; T739-E742 PolarHBondContact O-N 3.12Å; T739-E742 VanDerWaalsContact OG1-CD 3.25Å; T739-E742 WeakPolarHBondContact OG1-CG 3.36Å; T739-E742 PolarHBondContact OG1-N 3.09Å; T739-E742 PolarHBondContact OG1-OE2 3.34Å; T739-K743 WeakPolarHBondContact O-CG 3.46Å; T739-K743 PolarHBondContact O-N 2.77Å; T739-R773 HydrophobicContact CG2-CB 4.31Å; T739-R773 HydrophobicContact CG2-CG 3.87Å; T739-A777 HydrophobicContact CG2-CB 4.06Å
740Y88.6Confident88.1Confident83 Ų8344.2 Ų44.233%0.32524%0.238SC..Hα-helixtrans-62.7-33.3177-166.4-102.9000112.4K743 S744 V753 L762 L763Y740-K743 PolarHBondContact O-N 2.85Å; Y740-S744 WeakPolarHBondContact O-CB 3.41Å; Y740-S744 PolarHBondContact O-N 2.9Å; Y740-S744 PolarHBondContact O-OG 2.95Å; Y740-V753 HydrophobicContact CD1-CG1 4.11Å; Y740-V753 HydrophobicContact CE1-CB 4.5Å; Y740-V753 HydrophobicContact CE1-CG1 3.47Å; Y740-V753 VanDerWaalsContact CE1-CG1 3.47Å; Y740-V753 HydrophobicContact CE1-CG2 4.2Å; Y740-L762 WeakPolarHBondContact CB-O 3.39Å; Y740-L762 HydrophobicContact CD1-CB 3.5Å; Y740-L762 VanDerWaalsContact CD1-CB 3.5Å; Y740-L762 HydrophobicContact CD1-CD1 4.48Å; Y740-L762 HydrophobicContact CD2-CB 4.35Å; Y740-L762 HydrophobicContact CE1-CB 3.63Å; Y740-L762 HydrophobicContact CE1-CD1 3.86Å; Y740-L762 HydrophobicContact CE1-CG 4.4Å; Y740-L762 HydrophobicContact CE2-CB 4.49Å; Y740-L762 HydrophobicContact CE2-CD1 3.97Å; Y740-L762 HydrophobicContact CG-CB 3.88Å; Y740-L763 HydrophobicContact CD1-CD2 3.96Å; Y740-L763 HydrophobicContact CD1-CG 4.47Å
741F87.6Confident87Confident83 Ų8347.9 Ų47.936%0.36425%0.254SS..Hα-helixtrans-56.7-52.4170.9170.3-104.5000111.8T739 K743 S744 T745 Y750 L763T739-F741 PolarHBondContact O-N 3.14Å; F741-K743 PolarHBondContact O-N 3.3Å; F741-S744 PolarHBondContact O-N 2.9Å; F741-T745 PolarHBondContact O-N 2.84Å; F741-T745 PolarHBondContact O-OG1 2.76Å; F741-Y750 AromaticContact CD2-CD2 3.6Å; F741-Y750 HydrophobicContact CD2-CD2 3.6Å; F741-Y750 AromaticContact CD2-CE2 3.32Å; F741-Y750 HydrophobicContact CD2-CE2 3.32Å; F741-Y750 AromaticContact CE2-CD2 3.72Å; F741-Y750 HydrophobicContact CE2-CD2 3.72Å; F741-Y750 HydrophobicContact CE2-CE1 4.26Å; F741-Y750 AromaticContact CE2-CE2 3.39Å; F741-Y750 HydrophobicContact CE2-CE2 3.39Å; F741-Y750 HydrophobicContact CE2-CG 4.3Å; F741-Y750 AromaticContact CE2-CZ 3.67Å; F741-L763 HydrophobicContact CB-CD2 4.03Å; F741-L763 HydrophobicContact CD2-CD2 4.47Å
742E92Very high86.2Confident7 Ų750.5 Ų50.53%0.03326%0.257CS..Hα-helixtrans-63.8-42-180-66.2163.9141.300110.9L738 T739 S744 T745 V746 A777 Y822 R823L738-E742 WeakPolarHBondContact CA-OE2 3.4Å; L738-E742 HydrophobicContact CB-CB 4.05Å; L738-E742 HydrophobicContact CD2-CB 3.99Å; L738-E742 HydrophobicContact CG-CB 4.3Å; T739-E742 WeakPolarHBondContact CB-OE2 3.46Å; T739-E742 PolarHBondContact N-OE2 3.16Å; T739-E742 PolarHBondContact O-N 3.12Å; T739-E742 VanDerWaalsContact OG1-CD 3.25Å; T739-E742 WeakPolarHBondContact OG1-CG 3.36Å; T739-E742 PolarHBondContact OG1-N 3.09Å; T739-E742 PolarHBondContact OG1-OE2 3.34Å; E742-S744 PolarHBondContact O-N 3.42Å; E742-T745 WeakPolarHBondContact O-CB 3.42Å; E742-T745 PolarHBondContact O-N 3.29Å; E742-V746 WeakPolarHBondContact O-CG2 3.49Å; E742-V746 PolarHBondContact O-N 3.16Å; E742-A777 VanDerWaalsContact OE1-CB 3.26Å; E742-A777 WeakPolarHBondContact OE1-CB 3.35Å; E742-Y822 HydrophobicContact CB-CE1 3.86Å; E742-Y822 HydrophobicContact CB-CE2 4.2Å; E742-Y822 HydrophobicContact CG-CE1 3.6Å; E742-Y822 WeakPolarHBondContact OE1-CE1 3.45Å; E742-R823 VanDerWaalsContact CD-NH2 3.34Å; E742-R823 IonicContact OE1-CZ 3.55Å; E742-R823 IonicContact OE1-NH1 2.66Å; E742-R823 PolarHBondContact OE1-NH1 3.28Å; E742-R823 IonicContact OE1-NH2 2.93Å; E742-R823 PolarHBondContact OE1-NH2 3.46Å; E742-R823 IonicContact OE2-CZ 3.53Å; E742-R823 IonicContact OE2-NH2 3.2Å; E742-R823 PolarHBondContact OE2-NH2 3.29Å
743K91Very high85.4Confident71 Ų7149.8 Ų49.831%0.30925%0.249SC..Hα-helixtrans-60.9-43.6175.9-69.7-177.3-178.9-175.50112.6D737 L738 T739 Y740 F741 T745 V746 M747 F890D737-K743 IonicContact OD2-NZ 3.22Å; D737-K743 PolarHBondContact OD2-NZ 2.94Å; L738-K743 HydrophobicContact CB-CG 3.82Å; L738-K743 HydrophobicContact CD2-CG 4.4Å; L738-K743 WeakPolarHBondContact O-CE 3.17Å; T739-K743 WeakPolarHBondContact O-CG 3.46Å; T739-K743 PolarHBondContact O-N 2.77Å; Y740-K743 PolarHBondContact O-N 2.85Å; F741-K743 PolarHBondContact O-N 3.3Å; K743-T745 VanDerWaalsContact C-N 3.28Å; K743-T745 PolarHBondContact O-N 3.17Å; K743-V746 PolarHBondContact O-N 3.09Å; K743-M747 WeakPolarHBondContact O-CG 3.25Å; K743-M747 PolarHBondContact O-N 3.28Å; K743-F890 HydrophobicContact CB-CE2 4.22Å; K743-F890 HydrophobicContact CG-CE2 4.01Å; K743-F890 HydrophobicContact CG-CZ 4.29Å
744S85.3Confident84.5Confident3 Ų347.7 Ų47.72%0.02124%0.243CC..Hα-helixtrans-68.1-31.4178.7-50.60000111.8Y740 F741 E742 G748 T749 Y750Y740-S744 WeakPolarHBondContact O-CB 3.41Å; Y740-S744 PolarHBondContact O-N 2.9Å; Y740-S744 PolarHBondContact O-OG 2.95Å; F741-S744 PolarHBondContact O-N 2.9Å; E742-S744 PolarHBondContact O-N 3.42Å; S744-G748 PolarHBondContact O-N 3.03Å; S744-G748 VanDerWaalsContact O-N 3.17Å; S744-T749 PolarHBondContact O-N 2.93Å; S744-T749 PolarHBondContact O-OG1 3.49Å; S744-Y750 PolarHBondContact O-N 3.29Å; S744-Y750 VanDerWaalsContact O-N 3.1Å
745T87.3Confident83.2Confident65 Ų6546.6 Ų46.640%0.39924%0.24SC..Hα-helixtrans-68.7-45.3174.9-54.80000111.1F741 E742 K743 M747 G748F741-T745 PolarHBondContact O-N 2.84Å; F741-T745 PolarHBondContact O-OG1 2.76Å; E742-T745 WeakPolarHBondContact O-CB 3.42Å; E742-T745 PolarHBondContact O-N 3.29Å; K743-T745 VanDerWaalsContact C-N 3.28Å; K743-T745 PolarHBondContact O-N 3.17Å; T745-M747 VanDerWaalsContact C-N 3.27Å; T745-M747 PolarHBondContact O-N 3.36Å; T745-G748 PolarHBondContact O-N 2.87Å; T745-G748 VanDerWaalsContact O-N 3.11Å
746V89.5Confident81.9Confident14 Ų1448.2 Ų48.29%0.08525%0.249CC..Hα-helixtrans-59.9-39175.11740000111.5L738 E742 K743 G748 Y822 F890 N893 L894 M897L738-V746 HydrophobicContact CD2-CG2 4.37Å; E742-V746 WeakPolarHBondContact O-CG2 3.49Å; E742-V746 PolarHBondContact O-N 3.16Å; K743-V746 PolarHBondContact O-N 3.09Å; V746-G748 VanDerWaalsContact C-N 3.28Å; V746-G748 PolarHBondContact O-N 2.59Å; V746-Y822 HydrophobicContact CG2-CD2 3.68Å; V746-Y822 HydrophobicContact CG2-CE2 3.6Å; V746-F890 HydrophobicContact CB-CD2 4.09Å; V746-F890 HydrophobicContact CB-CE2 3.7Å; V746-F890 HydrophobicContact CG1-CD2 3.72Å; V746-F890 HydrophobicContact CG1-CE2 3.61Å; V746-F890 HydrophobicContact CG1-CZ 4.41Å; V746-F890 HydrophobicContact CG2-CE2 4.08Å; V746-N893 HydrophobicContact CG1-CB 3.91Å; V746-N893 WeakPolarHBondContact O-CB 3.24Å; V746-L894 HydrophobicContact CG1-CB 4.02Å; V746-L894 HydrophobicContact CG2-CD1 4.38Å; V746-M897 HydrophobicContact CG2-CE 3.77Å
747M86.9Confident80.6Confident49 Ų4952.4 Ų52.424%0.24128%0.278CS..THydrogen-bonded Turntrans-78.2-7.6178.7-68.5-60.4-72.200114.3K743 T745 T749 M889 F890K743-M747 WeakPolarHBondContact O-CG 3.25Å; K743-M747 PolarHBondContact O-N 3.28Å; T745-M747 VanDerWaalsContact C-N 3.27Å; T745-M747 PolarHBondContact O-N 3.36Å; M747-T749 HydrophobicContact CB-CG2 4.16Å; M747-T749 PolarHBondContact O-N 3.39Å; M747-M889 HydrophobicContact CE-CB 3.94Å; M747-M889 HydrophobicContact CE-CE 4.5Å; M747-F890 HydrophobicContact CG-CD2 4.08Å; M747-F890 WeakPolarHBondContact SD-CA 3.45Å; M747-F890 HydrophobicContact SD-CB 3.63Å; M747-F890 HydrophobicContact SD-CD2 4.1Å; M747-F890 HydrophobicContact SD-CG 4.38Å
748G81.1Confident79.6Confident66 Ų6658.2 Ų58.268%0.6830%0.301SS*.THydrogen-bonded Turntrans6816.9-172.800000114.3S744 T745 V746S744-G748 PolarHBondContact O-N 3.03Å; S744-G748 VanDerWaalsContact O-N 3.17Å; T745-G748 PolarHBondContact O-N 2.87Å; T745-G748 VanDerWaalsContact O-N 3.11Å; V746-G748 VanDerWaalsContact C-N 3.28Å; V746-G748 PolarHBondContact O-N 2.59Å
749T80.3Confident78.5Confident43 Ų4362.4 Ų62.426%0.26432%0.319SS..  trans-106.34.9-176.658.70000113.3S744 M747 H751 Q752 V753S744-T749 PolarHBondContact O-N 2.93Å; S744-T749 PolarHBondContact O-OG1 3.49Å; M747-T749 HydrophobicContact CB-CG2 4.16Å; M747-T749 PolarHBondContact O-N 3.39Å; T749-H751 PolarHBondContact O-N 3.46Å; T749-Q752 WeakPolarHBondContact O-CB 3.5Å; T749-Q752 PolarHBondContact O-N 3.29Å; T749-Q752 VanDerWaalsContact O-N 3.15Å; T749-V753 WeakPolarHBondContact O-CB 3.44Å; T749-V753 WeakPolarHBondContact O-CG2 3.5Å; T749-V753 PolarHBondContact O-N 3.44Å
750Y74Confident77.5Confident38 Ų3862.9 Ų62.915%0.14933%0.325CS..Hα-helixtrans-52.6-48.5-177.3170.7-110.2000113.1F741 S744 Q752 V753 K754 L763F741-Y750 AromaticContact CD2-CD2 3.6Å; F741-Y750 HydrophobicContact CD2-CD2 3.6Å; F741-Y750 AromaticContact CD2-CE2 3.32Å; F741-Y750 HydrophobicContact CD2-CE2 3.32Å; F741-Y750 AromaticContact CE2-CD2 3.72Å; F741-Y750 HydrophobicContact CE2-CD2 3.72Å; F741-Y750 HydrophobicContact CE2-CE1 4.26Å; F741-Y750 AromaticContact CE2-CE2 3.39Å; F741-Y750 HydrophobicContact CE2-CE2 3.39Å; F741-Y750 HydrophobicContact CE2-CG 4.3Å; F741-Y750 AromaticContact CE2-CZ 3.67Å; S744-Y750 PolarHBondContact O-N 3.29Å; S744-Y750 VanDerWaalsContact O-N 3.1Å; Y750-Q752 PolarHBondContact O-N 3.34Å; Y750-V753 PolarHBondContact O-N 3.04Å; Y750-K754 HydrophobicContact CE1-CD 3.95Å; Y750-K754 HydrophobicContact CE2-CB 4.31Å; Y750-K754 WeakPolarHBondContact O-CB 3.35Å; Y750-K754 PolarHBondContact O-N 3.42Å; Y750-K754 WeakPolarHBondContact OH-CD 3.29Å; Y750-L763 HydrophobicContact CD2-CD1 4.48Å; Y750-L763 HydrophobicContact CD2-CD2 4.33Å; Y750-L763 HydrophobicContact CE2-CD1 3.93Å; Y750-L763 HydrophobicContact CE2-CD2 4.23Å
751H68.7Low76.8Confident77 Ų7765.7 Ų65.736%0.35634%0.338SS..Hα-helixtrans-63.2-42.7-179.5-66.6-70.7000111.8T749 V753 K754 H755T749-H751 PolarHBondContact O-N 3.46Å; H751-V753 VanDerWaalsContact C-N 3.31Å; H751-V753 PolarHBondContact O-N 3.3Å; H751-K754 PolarHBondContact O-N 2.87Å; H751-H755 PolarHBondContact O-CD2 3.45Å; H751-H755 VanDerWaalsContact O-CD2 3.26Å; H751-H755 PolarHBondContact O-N 3.24Å
752Q68.8Low76.1Confident91 Ų9166.5 Ų66.543%0.42535%0.346SS..Hα-helixtrans-59.3-43.5174.1-63.8174.8-12.800111.3T749 Y750 D756T749-Q752 WeakPolarHBondContact O-CB 3.5Å; T749-Q752 PolarHBondContact O-N 3.29Å; T749-Q752 VanDerWaalsContact O-N 3.15Å; Y750-Q752 PolarHBondContact O-N 3.34Å; Q752-D756 WeakPolarHBondContact O-CB 3.48Å; Q752-D756 PolarHBondContact O-N 2.73Å; Q752-D756 VanDerWaalsContact O-N 3.14Å
753V71.2Confident75.4Confident3 Ų368.3 Ų68.32%0.01836%0.356CS..Hα-helixtrans-67.6-39.5178.81650000112.6Y740 T749 Y750 H751 H755 D756 K759 A760 L763Y740-V753 HydrophobicContact CD1-CG1 4.11Å; Y740-V753 HydrophobicContact CE1-CB 4.5Å; Y740-V753 HydrophobicContact CE1-CG1 3.47Å; Y740-V753 VanDerWaalsContact CE1-CG1 3.47Å; Y740-V753 HydrophobicContact CE1-CG2 4.2Å; T749-V753 WeakPolarHBondContact O-CB 3.44Å; T749-V753 WeakPolarHBondContact O-CG2 3.5Å; T749-V753 PolarHBondContact O-N 3.44Å; Y750-V753 PolarHBondContact O-N 3.04Å; H751-V753 VanDerWaalsContact C-N 3.31Å; H751-V753 PolarHBondContact O-N 3.3Å; V753-H755 VanDerWaalsContact C-N 3.27Å; V753-H755 PolarHBondContact O-N 3.31Å; V753-D756 PolarHBondContact O-N 2.85Å; V753-K759 HydrophobicContact CG1-CB 4.13Å; V753-K759 HydrophobicContact CG2-CD 4.24Å; V753-A760 WeakPolarHBondContact O-CA 3.2Å; V753-A760 PolarHBondContact O-N 3.28Å; V753-L763 HydrophobicContact CG1-CD1 3.9Å; V753-L763 HydrophobicContact CG1-CD2 3.89Å; V753-L763 HydrophobicContact CG1-CG 3.78Å
754K69.9Low74.7Confident103 Ų10370.1 Ų70.145%0.44837%0.368SS..Hα-helixtrans-63.2-36.3-177.9-174.3-176.3-171.6166.90111.6Y750 H751 L763Y750-K754 HydrophobicContact CE1-CD 3.95Å; Y750-K754 HydrophobicContact CE2-CB 4.31Å; Y750-K754 WeakPolarHBondContact O-CB 3.35Å; Y750-K754 PolarHBondContact O-N 3.42Å; Y750-K754 WeakPolarHBondContact OH-CD 3.29Å; H751-K754 PolarHBondContact O-N 2.87Å; K754-L763 HydrophobicContact CB-CD1 4.18Å
755H62.2Low74.6Confident98 Ų9874.9 Ų74.945%0.45439%0.386SS..Hα-helixtrans-92.6-19.1-177.3-69.8-77.6000113.5E390 H751 V753 S757E390-H755 HydrophobicContact CB-CB 3.88Å; E390-H755 HydrophobicContact CG-CB 3.26Å; H751-H755 PolarHBondContact O-CD2 3.45Å; H751-H755 VanDerWaalsContact O-CD2 3.26Å; H751-H755 PolarHBondContact O-N 3.24Å; V753-H755 VanDerWaalsContact C-N 3.27Å; V753-H755 PolarHBondContact O-N 3.31Å; H755-S757 PolarHBondContact O-N 3.45Å
756D66.2Low74.3Confident35 Ų3576.5 Ų76.519%0.18740%0.396CS..  trans-70.4108.8171.7176.4-23.3000110.7E390 Q752 V753 K758 K759 A760E390-D756 WeakPolarHBondContact OE1-CA 3.41Å; E390-D756 PolarHBondContact OE1-N 2.94Å; Q752-D756 WeakPolarHBondContact O-CB 3.48Å; Q752-D756 PolarHBondContact O-N 2.73Å; Q752-D756 VanDerWaalsContact O-N 3.14Å; V753-D756 PolarHBondContact O-N 2.85Å; D756-K758 PolarHBondContact O-N 3.13Å; D756-K758 WeakPolarHBondContact OD1-CA 3.49Å; D756-K758 WeakPolarHBondContact OD1-CB 3.13Å; D756-K758 PolarHBondContact OD1-N 3.31Å; D756-K759 HydrophobicContact CB-CB 3.99Å; D756-K759 HydrophobicContact CB-CD 4.44Å; D756-K759 HydrophobicContact CB-CG 4.37Å; D756-K759 PolarHBondContact O-N 3.45Å; D756-K759 PolarHBondContact OD1-N 3.16Å; D756-K759 VanDerWaalsContact OD1-N 3.08Å; D756-K759 VanDerWaalsContact OD2-CD 3.24Å; D756-K759 WeakPolarHBondContact OD2-CD 3.28Å; D756-K759 WeakPolarHBondContact OD2-CE 3.22Å; D756-K759 VanDerWaalsContact OD2-CG 3.22Å; D756-K759 WeakPolarHBondContact OD2-CG 3.25Å; D756-A760 WeakPolarHBondContact O-CB 3.26Å; D756-A760 PolarHBondContact O-N 3.17Å
757S65.8Low74.2Confident95 Ų9578.6 Ų78.666%0.66441%0.409SS*.THydrogen-bonded Turntrans-54.4-25.5-178670000115.4H755H755-S757 PolarHBondContact O-N 3.45Å
758K70.5Confident74.3Confident172 Ų17279 Ų7975%0.74841%0.414SS*.THydrogen-bonded Turntrans-84.6-45.9175.7-67178.1-177.41700110.8D756D756-K758 PolarHBondContact O-N 3.13Å; D756-K758 WeakPolarHBondContact OD1-CA 3.49Å; D756-K758 WeakPolarHBondContact OD1-CB 3.13Å; D756-K758 PolarHBondContact OD1-N 3.31Å
759K70.4Confident74.7Confident97 Ų9778.9 Ų78.942%0.42240%0.396SS..THydrogen-bonded Turntrans-78.2-26.6-178.6-65.7-179.8-172.6178.90113.4V753 D756 K761 L762V753-K759 HydrophobicContact CG1-CB 4.13Å; V753-K759 HydrophobicContact CG2-CD 4.24Å; D756-K759 HydrophobicContact CB-CB 3.99Å; D756-K759 HydrophobicContact CB-CD 4.44Å; D756-K759 HydrophobicContact CB-CG 4.37Å; D756-K759 PolarHBondContact O-N 3.45Å; D756-K759 PolarHBondContact OD1-N 3.16Å; D756-K759 VanDerWaalsContact OD1-N 3.08Å; D756-K759 VanDerWaalsContact OD2-CD 3.24Å; D756-K759 WeakPolarHBondContact OD2-CD 3.28Å; D756-K759 WeakPolarHBondContact OD2-CE 3.22Å; D756-K759 VanDerWaalsContact OD2-CG 3.22Å; D756-K759 WeakPolarHBondContact OD2-CG 3.25Å; K759-K761 PolarHBondContact O-N 3.22Å; K759-K761 VanDerWaalsContact O-N 3.15Å; K759-L762 HydrophobicContact CB-CD1 4.41Å; K759-L762 HydrophobicContact CG-CD1 4.45Å; K759-L762 WeakPolarHBondContact O-CA 3.29Å; K759-L762 WeakPolarHBondContact O-CB 3.29Å; K759-L762 PolarHBondContact O-N 2.55Å
760A69.4Low75.1Confident27 Ų2779 Ų7922%0.22340%0.395CS..Hα-helixtrans-58-29.7173.900000111.6V753 D756 L762 L763 L764V753-A760 WeakPolarHBondContact O-CA 3.2Å; V753-A760 PolarHBondContact O-N 3.28Å; D756-A760 WeakPolarHBondContact O-CB 3.26Å; D756-A760 PolarHBondContact O-N 3.17Å; A760-L762 PolarHBondContact O-N 3.5Å; A760-L763 WeakPolarHBondContact O-CB 3.31Å; A760-L763 PolarHBondContact O-N 3.22Å; A760-L763 VanDerWaalsContact O-N 3.08Å; A760-L764 PolarHBondContact O-N 3.23Å
761K74.4Confident75.9Confident142 Ų14282 Ų8262%0.61741%0.41SS*.Hα-helixtrans-64.5-25.9172.7-62.2-177-174.8179.80113.2K759 L763 L764K759-K761 PolarHBondContact O-N 3.22Å; K759-K761 VanDerWaalsContact O-N 3.15Å; K761-L763 VanDerWaalsContact C-N 3.3Å; K761-L764 WeakPolarHBondContact O-CB 3.4Å; K761-L764 PolarHBondContact O-N 3.07Å
762L74.3Confident77.1Confident100 Ų10078.3 Ų78.352%0.52439%0.393SS..Hα-helixtrans-75.1-21174.8-57.6169.5000112.1Y740 K759 A760 L764Y740-L762 WeakPolarHBondContact CB-O 3.39Å; Y740-L762 HydrophobicContact CD1-CB 3.5Å; Y740-L762 VanDerWaalsContact CD1-CB 3.5Å; Y740-L762 HydrophobicContact CD1-CD1 4.48Å; Y740-L762 HydrophobicContact CD2-CB 4.35Å; Y740-L762 HydrophobicContact CE1-CB 3.63Å; Y740-L762 HydrophobicContact CE1-CD1 3.86Å; Y740-L762 HydrophobicContact CE1-CG 4.4Å; Y740-L762 HydrophobicContact CE2-CB 4.49Å; Y740-L762 HydrophobicContact CE2-CD1 3.97Å; Y740-L762 HydrophobicContact CG-CB 3.88Å; K759-L762 HydrophobicContact CB-CD1 4.41Å; K759-L762 HydrophobicContact CG-CD1 4.45Å; K759-L762 WeakPolarHBondContact O-CA 3.29Å; K759-L762 WeakPolarHBondContact O-CB 3.29Å; K759-L762 PolarHBondContact O-N 2.55Å; A760-L762 PolarHBondContact O-N 3.5Å; L762-L764 VanDerWaalsContact C-N 3.28Å
763L76.1Confident78.3Confident45 Ų4575.4 Ų75.424%0.23638%0.378CS..Hα-helixtrans-74.8-22.3169.9-60.7173.9000111.8Y740 F741 Y750 V753 K754 A760 K761Y740-L763 HydrophobicContact CD1-CD2 3.96Å; Y740-L763 HydrophobicContact CD1-CG 4.47Å; F741-L763 HydrophobicContact CB-CD2 4.03Å; F741-L763 HydrophobicContact CD2-CD2 4.47Å; Y750-L763 HydrophobicContact CD2-CD1 4.48Å; Y750-L763 HydrophobicContact CD2-CD2 4.33Å; Y750-L763 HydrophobicContact CE2-CD1 3.93Å; Y750-L763 HydrophobicContact CE2-CD2 4.23Å; V753-L763 HydrophobicContact CG1-CD1 3.9Å; V753-L763 HydrophobicContact CG1-CD2 3.89Å; V753-L763 HydrophobicContact CG1-CG 3.78Å; K754-L763 HydrophobicContact CB-CD1 4.18Å; A760-L763 WeakPolarHBondContact O-CB 3.31Å; A760-L763 PolarHBondContact O-N 3.22Å; A760-L763 VanDerWaalsContact O-N 3.08Å; K761-L763 VanDerWaalsContact C-N 3.3Å
764L76.1Confident79.4Confident109 Ų10975.3 Ų75.357%0.57138%0.377SS*.SBendtrans-76.4131.5176.7-62.1170.6000110A760 K761 L762 T766A760-L764 PolarHBondContact O-N 3.23Å; K761-L764 WeakPolarHBondContact O-CB 3.4Å; K761-L764 PolarHBondContact O-N 3.07Å; L762-L764 VanDerWaalsContact C-N 3.28Å; L764-T766 HydrophobicContact CB-CG2 4.03Å; L764-T766 PolarHBondContact O-N 3.41Å; L764-T766 VanDerWaalsContact O-N 3.11Å
765R82.9Confident80.6Confident103 Ų10370.7 Ų70.739%0.38936%0.357SS..  trans-74.3101.4171.4-57.8176-171.2-178.1-1.6107.8D770 H771 D778R765-D770 HydrophobicContact CB-CB 4.25Å; R765-H771 PolarHBondContact O-CE1 3.16Å; R765-H771 VanDerWaalsContact O-CE1 3.23Å; R765-H771 PolarHBondContact O-NE2 2.93Å; R765-D778 IonicContact CZ-OD1 2.78Å; R765-D778 IonicContact CZ-OD2 3.94Å; R765-D778 VanDerWaalsContact CZ-OD2 3.29Å; R765-D778 IonicContact NH1-OD1 4Å; R765-D778 IonicContact NH1-OD2 3.9Å; R765-D778 PolarHBondContact NH1-OD2 2.74Å; R765-D778 VanDerWaalsContact NH2-CG 3.26Å; R765-D778 IonicContact NH2-OD1 2.78Å; R765-D778 PolarHBondContact NH2-OD1 3.07Å; R765-D778 IonicContact NH2-OD2 3.71Å; R765-D778 PolarHBondContact NH2-OD2 3.46Å
766T82.3Confident82.2Confident100 Ų10066.1 Ų66.161%0.61334%0.336SS*.  trans-110.2-33.7-174.457.70000113.1L764L764-T766 HydrophobicContact CB-CG2 4.03Å; L764-T766 PolarHBondContact O-N 3.41Å; L764-T766 VanDerWaalsContact O-N 3.11Å
767T87.3Confident83.6Confident58 Ų5864.9 Ų64.936%0.35633%0.33SS..SBendtrans-97.2160.9177.570.70000111.5E769 D770 H771T767-E769 PolarHBondContact O-N 3.17Å; T767-D770 PolarHBondContact N-OD2 3.35Å; T767-D770 PolarHBondContact O-N 3.46Å; T767-D770 PolarHBondContact OG1-N 3.31Å; T767-D770 VanDerWaalsContact OG1-N 3.09Å; T767-D770 PolarHBondContact OG1-OD2 3.45Å; T767-H771 PolarHBondContact O-CD2 3.31Å; T767-H771 PolarHBondContact O-N 2.76Å
768V88Confident85Confident58 Ų5862.8 Ų62.835%0.35231%0.312SS..Hα-helixtrans-58.6-37.1173.41770000110.9I637 Y730 H771 V772I637-V768 HydrophobicContact CD1-CB 4.16Å; I637-V768 HydrophobicContact CD1-CG1 4.03Å; I637-V768 HydrophobicContact CG1-CG1 4.19Å; I637-V768 HydrophobicContact CG2-CB 4.4Å; I637-V768 HydrophobicContact CG2-CG1 4.13Å; I637-V768 HydrophobicContact CG2-CG2 4.18Å; Y730-V768 HydrophobicContact CE1-CG1 4.12Å; V768-H771 PolarHBondContact O-N 3.05Å; V768-V772 HydrophobicContact CG1-CG2 4.34Å; V768-V772 WeakPolarHBondContact O-CG2 3.5Å; V768-V772 PolarHBondContact O-N 3.07Å
769E90.1Very high86.2Confident63 Ų6354.6 Ų54.629%0.29428%0.276SS..Hα-helixtrans-62.5-44.3176.8-59.8172.3173.200111.2Y730 G731 T767 H771 V772 R773Y730-E769 VanDerWaalsContact C-OE1 3.31Å; G731-E769 PolarHBondContact N-OE1 2.79Å; T767-E769 PolarHBondContact O-N 3.17Å; E769-H771 VanDerWaalsContact C-N 3.35Å; E769-H771 PolarHBondContact O-N 3.23Å; E769-V772 PolarHBondContact O-N 3.02Å; E769-R773 WeakPolarHBondContact O-CB 3.32Å; E769-R773 PolarHBondContact O-N 3.38Å
770D89.1Confident87.5Confident45 Ų4550.1 Ų50.124%0.24126%0.257CS..Hα-helixtrans-66.3-37.1176.9-58.7-36.5000112.2R765 T767 R773 G774R765-D770 HydrophobicContact CB-CB 4.25Å; T767-D770 PolarHBondContact N-OD2 3.35Å; T767-D770 PolarHBondContact O-N 3.46Å; T767-D770 PolarHBondContact OG1-N 3.31Å; T767-D770 VanDerWaalsContact OG1-N 3.09Å; T767-D770 PolarHBondContact OG1-OD2 3.45Å; D770-R773 PolarHBondContact O-N 2.86Å; D770-R773 IonicContact OD1-CZ 3.72Å; D770-R773 IonicContact OD1-NH1 2.58Å; D770-R773 PolarHBondContact OD1-NH1 3.3Å; D770-G774 PolarHBondContact O-N 3.02Å
771H90.7Very high88.7Confident100 Ų10049.9 Ų49.946%0.46325%0.252SS..Hα-helixtrans-65.1-40.1174.2-75.9-63000112.3R765 T767 V768 E769 F775R765-H771 PolarHBondContact O-CE1 3.16Å; R765-H771 VanDerWaalsContact O-CE1 3.23Å; R765-H771 PolarHBondContact O-NE2 2.93Å; T767-H771 PolarHBondContact O-CD2 3.31Å; T767-H771 PolarHBondContact O-N 2.76Å; V768-H771 PolarHBondContact O-N 3.05Å; E769-H771 VanDerWaalsContact C-N 3.35Å; E769-H771 PolarHBondContact O-N 3.23Å; H771-F775 WeakPolarHBondContact O-CB 3.36Å; H771-F775 PolarHBondContact O-N 2.93Å
772V94Very high89.7Confident1 Ų144.3 Ų44.31%0.00623%0.229CC..Hα-helixtrans-69.6-42.5176.9175.20000110.7L633 Y730 V735 V768 E769 G774 F775 F776L633-V772 HydrophobicContact CD2-CG1 3.99Å; Y730-V772 HydrophobicContact CD1-CG2 4.27Å; Y730-V772 HydrophobicContact CE1-CG2 4Å; V735-V772 HydrophobicContact CG2-CB 3.74Å; V735-V772 HydrophobicContact CG2-CG1 3.5Å; V735-V772 VanDerWaalsContact CG2-CG1 3.5Å; V768-V772 HydrophobicContact CG1-CG2 4.34Å; V768-V772 WeakPolarHBondContact O-CG2 3.5Å; V768-V772 PolarHBondContact O-N 3.07Å; E769-V772 PolarHBondContact O-N 3.02Å; V772-G774 VanDerWaalsContact C-N 3.32Å; V772-G774 PolarHBondContact O-N 3.41Å; V772-F775 WeakPolarHBondContact O-CB 3.21Å; V772-F775 PolarHBondContact O-N 3Å; V772-F775 VanDerWaalsContact O-N 3.16Å; V772-F776 HydrophobicContact CG1-CD2 4.07Å; V772-F776 HydrophobicContact CG1-CE2 3.74Å; V772-F776 VanDerWaalsContact O-CD2 3.27Å; V772-F776 WeakPolarHBondContact O-CD2 3.06Å; V772-F776 PolarHBondContact O-N 3.5Å
773R94.4Very high90.8Very high30 Ų3039.6 Ų39.611%0.11320%0.204CC..Hα-helixtrans-62-43.2176.1-162.6179-60.8101.11.2111.4K734 D737 L738 T739 E769 D770 F776 A777K734-R773 PolarHBondContact O-NE 3.47Å; K734-R773 VanDerWaalsContact O-NE 3.08Å; K734-R773 PolarHBondContact O-NH2 3.05Å; K734-R773 VanDerWaalsContact O-NH2 3.11Å; D737-R773 WeakPolarHBondContact O-CD 3.2Å; D737-R773 WeakPolarHBondContact O-CG 3.5Å; L738-R773 VanDerWaalsContact O-CD 3.32Å; L738-R773 WeakPolarHBondContact O-CD 3.33Å; T739-R773 HydrophobicContact CG2-CB 4.31Å; T739-R773 HydrophobicContact CG2-CG 3.87Å; E769-R773 WeakPolarHBondContact O-CB 3.32Å; E769-R773 PolarHBondContact O-N 3.38Å; D770-R773 PolarHBondContact O-N 2.86Å; D770-R773 IonicContact OD1-CZ 3.72Å; D770-R773 IonicContact OD1-NH1 2.58Å; D770-R773 PolarHBondContact OD1-NH1 3.3Å; R773-F776 PolarHBondContact O-N 2.88Å; R773-A777 PolarHBondContact O-N 3.48Å
774G93.6Very high91.8Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-61.1-40.417200000113D770 V772 F776 A777 D778D770-G774 PolarHBondContact O-N 3.02Å; V772-G774 VanDerWaalsContact C-N 3.32Å; V772-G774 PolarHBondContact O-N 3.41Å; G774-F776 VanDerWaalsContact C-N 3.34Å; G774-F776 PolarHBondContact O-N 3.18Å; G774-A777 WeakPolarHBondContact O-CB 3.26Å; G774-A777 PolarHBondContact O-N 2.85Å; G774-D778 PolarHBondContact O-N 3.43Å
775F95.3Very high92.8Very high7 Ų734.8 Ų34.83%0.03118%0.177CC..Hα-helixtrans-57.9-44.7172.9160.4-99000112F627 I631 R650 F653 L654 H771 V772 D778 V779F627-F775 HydrophobicContact CZ-CE1 4.13Å; F627-F775 AromaticContact CZ-CZ 3.98Å; F627-F775 HydrophobicContact CZ-CZ 3.98Å; I631-F775 HydrophobicContact CD1-CE1 3.9Å; R650-F775 HydrophobicContact CB-CD1 4.47Å; R650-F775 HydrophobicContact CB-CD2 3.73Å; R650-F775 HydrophobicContact CB-CE2 3.8Å; R650-F775 HydrophobicContact CB-CG 4.08Å; R650-F775 HydrophobicContact CB-CZ 4.2Å; R650-F775 HydrophobicContact CG-CD1 4.07Å; R650-F775 HydrophobicContact CG-CD2 4.21Å; R650-F775 HydrophobicContact CG-CE1 4.01Å; R650-F775 HydrophobicContact CG-CE2 4.16Å; R650-F775 HydrophobicContact CG-CG 4.17Å; R650-F775 HydrophobicContact CG-CZ 4.05Å; R650-F775 WeakPolarHBondContact O-CE2 3.46Å; F653-F775 HydrophobicContact CB-CE2 4.19Å; F653-F775 HydrophobicContact CB-CZ 4.38Å; L654-F775 HydrophobicContact CD1-CD2 3.76Å; L654-F775 HydrophobicContact CD1-CE2 4.44Å; L654-F775 HydrophobicContact CD2-CD2 4.34Å; L654-F775 HydrophobicContact CG-CD2 3.78Å; L654-F775 HydrophobicContact CG-CE2 4Å; H771-F775 WeakPolarHBondContact O-CB 3.36Å; H771-F775 PolarHBondContact O-N 2.93Å; V772-F775 WeakPolarHBondContact O-CB 3.21Å; V772-F775 PolarHBondContact O-N 3Å; V772-F775 VanDerWaalsContact O-N 3.16Å; F775-D778 PolarHBondContact O-N 3.3Å; F775-V779 HydrophobicContact CD2-CB 4.38Å; F775-V779 HydrophobicContact CE1-CG1 4.17Å; F775-V779 HydrophobicContact CE2-CB 3.98Å; F775-V779 HydrophobicContact CE2-CG1 4.19Å; F775-V779 HydrophobicContact CE2-CG2 4.13Å; F775-V779 HydrophobicContact CZ-CB 4.23Å; F775-V779 HydrophobicContact CZ-CG1 3.97Å; F775-V779 HydrophobicContact CZ-CG2 4.31Å; F775-V779 VanDerWaalsContact O-CB 3.29Å; F775-V779 WeakPolarHBondContact O-CB 3.49Å; F775-V779 VanDerWaalsContact O-CG1 3.27Å; F775-V779 WeakPolarHBondContact O-CG1 3.46Å; F775-V779 PolarHBondContact O-N 3.46Å
776F96.2Very high93.4Very high2 Ų229.9 Ų29.91%0.00916%0.158CC..Hα-helixtrans-64.9-41.7176.6-76.6-68.1000112.4F627 L628 I631 L633 I717 L736 V772 R773 G774 D778 I780F627-F776 HydrophobicContact CE1-CE1 4.08Å; L628-F776 HydrophobicContact CD2-CE1 4.11Å; L628-F776 HydrophobicContact CD2-CZ 3.75Å; I631-F776 HydrophobicContact CD1-CE1 4.21Å; I631-F776 HydrophobicContact CD1-CE2 4.48Å; I631-F776 HydrophobicContact CD1-CZ 3.69Å; L633-F776 HydrophobicContact CD1-CE2 3.84Å; L633-F776 HydrophobicContact CD1-CZ 3.76Å; I717-F776 HydrophobicContact CD1-CD1 3.72Å; I717-F776 HydrophobicContact CD1-CE1 3.84Å; I717-F776 HydrophobicContact CD1-CG 4.43Å; I717-F776 HydrophobicContact CG2-CE1 4.39Å; L736-F776 HydrophobicContact CD2-CD2 3.87Å; L736-F776 HydrophobicContact CD2-CE1 4.21Å; L736-F776 HydrophobicContact CD2-CE2 3.35Å; L736-F776 HydrophobicContact CD2-CG 4.49Å; L736-F776 HydrophobicContact CD2-CZ 3.54Å; V772-F776 HydrophobicContact CG1-CD2 4.07Å; V772-F776 HydrophobicContact CG1-CE2 3.74Å; V772-F776 VanDerWaalsContact O-CD2 3.27Å; V772-F776 WeakPolarHBondContact O-CD2 3.06Å; V772-F776 PolarHBondContact O-N 3.5Å; R773-F776 PolarHBondContact O-N 2.88Å; G774-F776 VanDerWaalsContact C-N 3.34Å; G774-F776 PolarHBondContact O-N 3.18Å; F776-D778 PolarHBondContact O-N 3.23Å; F776-I780 HydrophobicContact CB-CD1 4.4Å; F776-I780 VanDerWaalsContact O-CB 3.22Å; F776-I780 WeakPolarHBondContact O-CB 3.4Å; F776-I780 WeakPolarHBondContact O-CD1 3.45Å; F776-I780 WeakPolarHBondContact O-CG1 3.32Å; F776-I780 PolarHBondContact O-N 2.91Å; F776-I780 VanDerWaalsContact O-N 3.08Å
777A95.2Very high94.2Very high8 Ų825.1 Ų25.17%0.06613%0.129CC..Hα-helixtrans-56-52.1175.200000111.2T739 E742 R773 G774 D781T739-A777 HydrophobicContact CG2-CB 4.06Å; E742-A777 VanDerWaalsContact OE1-CB 3.26Å; E742-A777 WeakPolarHBondContact OE1-CB 3.35Å; R773-A777 PolarHBondContact O-N 3.48Å; G774-A777 WeakPolarHBondContact O-CB 3.26Å; G774-A777 PolarHBondContact O-N 2.85Å; A777-D781 WeakPolarHBondContact O-CB 3.41Å; A777-D781 PolarHBondContact O-N 2.76Å
778D94.8Very high94.6Very high52 Ų5222.5 Ų22.528%0.27811%0.113SC..Hα-helixtrans-69.4-45.1-176.2-56.2-16.8000112L654 R765 G774 F775 F776 D781 N782L654-D778 HydrophobicContact CD2-CB 3.6Å; R765-D778 IonicContact CZ-OD1 2.78Å; R765-D778 IonicContact CZ-OD2 3.94Å; R765-D778 VanDerWaalsContact CZ-OD2 3.29Å; R765-D778 IonicContact NH1-OD1 4Å; R765-D778 IonicContact NH1-OD2 3.9Å; R765-D778 PolarHBondContact NH1-OD2 2.74Å; R765-D778 VanDerWaalsContact NH2-CG 3.26Å; R765-D778 IonicContact NH2-OD1 2.78Å; R765-D778 PolarHBondContact NH2-OD1 3.07Å; R765-D778 IonicContact NH2-OD2 3.71Å; R765-D778 PolarHBondContact NH2-OD2 3.46Å; G774-D778 PolarHBondContact O-N 3.43Å; F775-D778 PolarHBondContact O-N 3.3Å; F776-D778 PolarHBondContact O-N 3.23Å; D778-D781 PolarHBondContact O-N 2.87Å; D778-N782 WeakPolarHBondContact O-CB 3.28Å; D778-N782 VanDerWaalsContact O-CG 3.24Å; D778-N782 PolarHBondContact O-N 2.88Å
779V96.1Very high94.9Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-71.7-35-174.681.60000112F653 L654 F710 L714 F775 T783F653-V779 HydrophobicContact CB-CG2 4.48Å; L654-V779 HydrophobicContact CD2-CB 3.8Å; L654-V779 HydrophobicContact CD2-CG2 4.23Å; F710-V779 HydrophobicContact CE1-CG2 3.85Å; F710-V779 HydrophobicContact CZ-CG2 3.76Å; L714-V779 HydrophobicContact CD1-CG1 4.4Å; L714-V779 HydrophobicContact CD2-CG1 4.01Å; F775-V779 HydrophobicContact CD2-CB 4.38Å; F775-V779 HydrophobicContact CE1-CG1 4.17Å; F775-V779 HydrophobicContact CE2-CB 3.98Å; F775-V779 HydrophobicContact CE2-CG1 4.19Å; F775-V779 HydrophobicContact CE2-CG2 4.13Å; F775-V779 HydrophobicContact CZ-CB 4.23Å; F775-V779 HydrophobicContact CZ-CG1 3.97Å; F775-V779 HydrophobicContact CZ-CG2 4.31Å; F775-V779 VanDerWaalsContact O-CB 3.29Å; F775-V779 WeakPolarHBondContact O-CB 3.49Å; F775-V779 VanDerWaalsContact O-CG1 3.27Å; F775-V779 WeakPolarHBondContact O-CG1 3.46Å; F775-V779 PolarHBondContact O-N 3.46Å; V779-T783 VanDerWaalsContact O-CB 3.25Å; V779-T783 WeakPolarHBondContact O-CB 3.1Å; V779-T783 PolarHBondContact O-N 3.45Å; V779-T783 PolarHBondContact O-OG1 2.86Å
780I97Very high95.2Very high3 Ų318.9 Ų18.92%0.0159%0.092CC..Hα-helixtrans-66.5-45.4174.8-68.7170.8000109.5L714 I717 F776 N782 T783 F784 R823L714-I780 HydrophobicContact CB-CG1 4.21Å; L714-I780 HydrophobicContact CD1-CG1 4.11Å; L714-I780 HydrophobicContact CD2-CG1 4.17Å; L714-I780 HydrophobicContact CG-CG1 4.4Å; I717-I780 HydrophobicContact CD1-CD1 4.16Å; F776-I780 HydrophobicContact CB-CD1 4.4Å; F776-I780 VanDerWaalsContact O-CB 3.22Å; F776-I780 WeakPolarHBondContact O-CB 3.4Å; F776-I780 WeakPolarHBondContact O-CD1 3.45Å; F776-I780 WeakPolarHBondContact O-CG1 3.32Å; F776-I780 PolarHBondContact O-N 2.91Å; F776-I780 VanDerWaalsContact O-N 3.08Å; I780-N782 PolarHBondContact O-N 2.91Å; I780-T783 PolarHBondContact O-N 3.17Å; I780-F784 HydrophobicContact CG2-CD2 3.78Å; I780-F784 HydrophobicContact CG2-CE1 4.28Å; I780-F784 HydrophobicContact CG2-CE2 3.3Å; I780-F784 HydrophobicContact CG2-CG 4.45Å; I780-F784 HydrophobicContact CG2-CZ 3.6Å; I780-F784 WeakPolarHBondContact O-CG 3.21Å; I780-F784 PolarHBondContact O-N 3.5Å; I780-R823 HydrophobicContact CD1-CG 4.36Å
781D95Very high95.5Very high22 Ų2216.8 Ų16.812%0.1188%0.081CC..Hα-helixtrans-56.6-53.1177-166.652.4000112A777 D778 T783 F784 K785 M826 K830A777-D781 WeakPolarHBondContact O-CB 3.41Å; A777-D781 PolarHBondContact O-N 2.76Å; D778-D781 PolarHBondContact O-N 2.87Å; D781-T783 VanDerWaalsContact C-N 3.32Å; D781-T783 PolarHBondContact O-N 3.41Å; D781-F784 PolarHBondContact O-N 3.04Å; D781-K785 WeakPolarHBondContact O-CB 3.4Å; D781-K785 WeakPolarHBondContact O-CG 3.37Å; D781-K785 PolarHBondContact O-N 3.02Å; D781-K785 WeakPolarHBondContact OD2-CE 3.36Å; D781-K785 IonicContact OD2-NZ 2.81Å; D781-K785 PolarHBondContact OD2-NZ 3.18Å; D781-M826 HydrophobicContact CB-CE 3.73Å; D781-M826 WeakPolarHBondContact OD1-CE 3.39Å; D781-K830 WeakPolarHBondContact OD1-CD 3.44Å; D781-K830 WeakPolarHBondContact OD1-CE 3.41Å; D781-K830 IonicContact OD1-NZ 3.36Å; D781-K830 PolarHBondContact OD1-NZ 3.46Å; D781-K830 IonicContact OD2-NZ 3.17Å
782N94.8Very high95.7Very high25 Ų2513.6 Ų13.613%0.1347%0.07CC..Hα-helixtrans-63.3-38.6-178.6-70.6-6.4000111.8T657 D778 I780 L786T657-N782 HydrophobicContact CG2-CB 3.91Å; D778-N782 WeakPolarHBondContact O-CB 3.28Å; D778-N782 VanDerWaalsContact O-CG 3.24Å; D778-N782 PolarHBondContact O-N 2.88Å; I780-N782 PolarHBondContact O-N 2.91Å; N782-L786 WeakPolarHBondContact O-CB 3.49Å; N782-L786 PolarHBondContact O-N 3.36Å
783T97.6Very high95.6Very high1 Ų117.5 Ų17.51%0.0069%0.085CC..Hα-helixtrans-69.5-40.9-179.5-56.50000111.8F710 A711 L714 V779 I780 D781 L786 A787F710-T783 HydrophobicContact CD1-CG2 3.89Å; F710-T783 HydrophobicContact CE1-CG2 4.41Å; F710-T783 WeakPolarHBondContact CE1-OG1 3.25Å; A711-T783 HydrophobicContact CB-CG2 3.99Å; L714-T783 HydrophobicContact CD1-CG2 3.99Å; L714-T783 WeakPolarHBondContact CD1-OG1 3.22Å; V779-T783 VanDerWaalsContact O-CB 3.25Å; V779-T783 WeakPolarHBondContact O-CB 3.1Å; V779-T783 PolarHBondContact O-N 3.45Å; V779-T783 PolarHBondContact O-OG1 2.86Å; I780-T783 PolarHBondContact O-N 3.17Å; D781-T783 VanDerWaalsContact C-N 3.32Å; D781-T783 PolarHBondContact O-N 3.41Å; T783-L786 PolarHBondContact O-N 3.35Å; T783-A787 WeakPolarHBondContact O-CB 3.31Å; T783-A787 PolarHBondContact O-N 3.03Å
784F97.7Very high95.5Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-66.5-44.7177-67.9-15.3000111.7N715 I780 D781 L786 A787 S788 L812 M826 L827 K830 A831N715-F784 WeakPolarHBondContact OD1-CE1 3.31Å; N715-F784 VanDerWaalsContact OD1-CZ 3.31Å; N715-F784 WeakPolarHBondContact OD1-CZ 3.17Å; I780-F784 HydrophobicContact CG2-CD2 3.78Å; I780-F784 HydrophobicContact CG2-CE1 4.28Å; I780-F784 HydrophobicContact CG2-CE2 3.3Å; I780-F784 HydrophobicContact CG2-CG 4.45Å; I780-F784 HydrophobicContact CG2-CZ 3.6Å; I780-F784 WeakPolarHBondContact O-CG 3.21Å; I780-F784 PolarHBondContact O-N 3.5Å; D781-F784 PolarHBondContact O-N 3.04Å; F784-L786 PolarHBondContact O-N 3.5Å; F784-A787 PolarHBondContact O-N 3.28Å; F784-S788 VanDerWaalsContact O-CB 3.3Å; F784-S788 WeakPolarHBondContact O-CB 3.28Å; F784-S788 PolarHBondContact O-N 3.36Å; F784-L812 HydrophobicContact CD1-CD1 4.45Å; F784-M826 HydrophobicContact CD2-CB 4.07Å; F784-M826 HydrophobicContact CE2-CB 4.17Å; F784-L827 HydrophobicContact CD1-CD1 3.97Å; F784-L827 HydrophobicContact CD2-CB 4.16Å; F784-L827 HydrophobicContact CE1-CD1 3.83Å; F784-L827 HydrophobicContact CE2-CB 3.7Å; F784-L827 HydrophobicContact CE2-CD1 4.41Å; F784-L827 HydrophobicContact CG-CD1 4.35Å; F784-L827 HydrophobicContact CZ-CB 3.91Å; F784-L827 HydrophobicContact CZ-CD1 4.05Å; F784-L827 HydrophobicContact CZ-CG 4.47Å; F784-K830 HydrophobicContact CB-CB 4.45Å; F784-A831 HydrophobicContact CB-CB 4.35Å
785K96Very high95.2Very high52 Ų5217 Ų1723%0.2269%0.088CC..Hα-helixtrans-58.4-46.6172.9-73.3173.7171.3170.40111.3Y661 D781 S788 Q789 K830Y661-K785 HydrophobicContact CD2-CB 3.93Å; Y661-K785 HydrophobicContact CE2-CB 3.57Å; Y661-K785 HydrophobicContact CE2-CG 4.48Å; D781-K785 WeakPolarHBondContact O-CB 3.4Å; D781-K785 WeakPolarHBondContact O-CG 3.37Å; D781-K785 PolarHBondContact O-N 3.02Å; D781-K785 WeakPolarHBondContact OD2-CE 3.36Å; D781-K785 IonicContact OD2-NZ 2.81Å; D781-K785 PolarHBondContact OD2-NZ 3.18Å; K785-S788 WeakPolarHBondContact O-CB 3.17Å; K785-S788 PolarHBondContact O-N 2.88Å; K785-Q789 WeakPolarHBondContact O-CG 3.35Å; K785-Q789 PolarHBondContact O-N 3.47Å; K785-K830 HydrophobicContact CG-CB 4.47Å; K785-K830 HydrophobicContact CG-CD 4.44Å
786L97Very high94.8Very high1 Ų121.5 Ų21.51%0.00511%0.105CC..Hα-helixtrans-60.9-49.6177.8174.459.7000112.5T657 L660 L664 F700 I707 N782 T783 F784 S788 Q789 C790T657-L786 HydrophobicContact CG2-CB 4.43Å; T657-L786 HydrophobicContact CG2-CD2 3.77Å; L660-L786 HydrophobicContact CB-CD1 3.79Å; L660-L786 HydrophobicContact CB-CD2 3.9Å; L660-L786 HydrophobicContact CD1-CD2 4.14Å; L664-L786 HydrophobicContact CD1-CD1 3.9Å; F700-L786 HydrophobicContact CE1-CD1 4.25Å; I707-L786 HydrophobicContact CD1-CD2 4.23Å; I707-L786 HydrophobicContact CG1-CD2 4.36Å; I707-L786 HydrophobicContact CG2-CD2 3.98Å; I707-L786 HydrophobicContact CG2-CG 4.17Å; N782-L786 WeakPolarHBondContact O-CB 3.49Å; N782-L786 PolarHBondContact O-N 3.36Å; T783-L786 PolarHBondContact O-N 3.35Å; F784-L786 PolarHBondContact O-N 3.5Å; L786-S788 VanDerWaalsContact C-N 3.28Å; L786-S788 PolarHBondContact O-N 3.48Å; L786-Q789 PolarHBondContact O-N 3.34Å; L786-C790 PolarHBondContact O-N 2.86Å; L786-C790 PolarHBondContact O-SG 3.35Å
787A97.3Very high94.6Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-60.9-40.9179.800000111.3F708 T783 F784 C790 V791 L812F708-A787 HydrophobicContact CE1-CB 4.4Å; F708-A787 HydrophobicContact CZ-CB 4.29Å; T783-A787 WeakPolarHBondContact O-CB 3.31Å; T783-A787 PolarHBondContact O-N 3.03Å; F784-A787 PolarHBondContact O-N 3.28Å; A787-C790 PolarHBondContact O-N 3.41Å; A787-V791 WeakPolarHBondContact O-CG2 3.35Å; A787-V791 PolarHBondContact O-N 3.15Å; A787-L812 HydrophobicContact CB-CD1 3.94Å
788S96.5Very high94.6Very high3 Ų321.4 Ų21.42%0.02110%0.103CC..Hα-helixtrans-56.9-52.5173-166.50000112.2F784 K785 L786 C790 V791 C792 K830 P834F784-S788 VanDerWaalsContact O-CB 3.3Å; F784-S788 WeakPolarHBondContact O-CB 3.28Å; F784-S788 PolarHBondContact O-N 3.36Å; K785-S788 WeakPolarHBondContact O-CB 3.17Å; K785-S788 PolarHBondContact O-N 2.88Å; L786-S788 VanDerWaalsContact C-N 3.28Å; L786-S788 PolarHBondContact O-N 3.48Å; S788-C790 VanDerWaalsContact C-N 3.35Å; S788-C790 PolarHBondContact O-N 3.05Å; S788-V791 PolarHBondContact O-N 3.31Å; S788-V791 VanDerWaalsContact O-N 3.17Å; S788-C792 PolarHBondContact O-N 3.07Å; S788-K830 VanDerWaalsContact CB-O 3.32Å; S788-K830 WeakPolarHBondContact CB-O 3.34Å; S788-K830 PolarHBondContact OG-O 2.82Å; S788-P834 WeakPolarHBondContact OG-CB 3.43Å
789Q95.2Very high94.5Very high45 Ų4519.4 Ų19.421%0.219%0.092CC..Hα-helixtrans-64.8-37.3-179.6-67.9-59-16.200112.3Y661 L664 K785 L786 V791 C792 R793Y661-Q789 HydrophobicContact CD2-CG 4.15Å; Y661-Q789 HydrophobicContact CE2-CG 3.73Å; L664-Q789 HydrophobicContact CB-CB 4.26Å; L664-Q789 HydrophobicContact CD1-CB 4.39Å; K785-Q789 WeakPolarHBondContact O-CG 3.35Å; K785-Q789 PolarHBondContact O-N 3.47Å; L786-Q789 PolarHBondContact O-N 3.34Å; Q789-V791 VanDerWaalsContact C-N 3.27Å; Q789-V791 PolarHBondContact O-N 3.28Å; Q789-C792 PolarHBondContact O-N 3.39Å; Q789-R793 HydrophobicContact CB-CG 4.31Å; Q789-R793 WeakPolarHBondContact O-CB 3.23Å; Q789-R793 VanDerWaalsContact O-CG 3.25Å; Q789-R793 WeakPolarHBondContact O-CG 3.37Å; Q789-R793 PolarHBondContact O-N 2.84Å; Q789-R793 VanDerWaalsContact OE1-CG 3.26Å
790C96.2Very high94.3Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-55.8-44.1173.9-71.40000111.4L664 L704 F708 L786 A787 S788 F794L664-C790 HydrophobicContact CD1-CB 4.46Å; L664-C790 VanDerWaalsContact CD1-SG 3.53Å; L704-C790 HydrophobicContact CD2-CB 3.72Å; F708-C790 HydrophobicContact CE2-CB 4.38Å; L786-C790 PolarHBondContact O-N 2.86Å; L786-C790 PolarHBondContact O-SG 3.35Å; A787-C790 PolarHBondContact O-N 3.41Å; S788-C790 VanDerWaalsContact C-N 3.35Å; S788-C790 PolarHBondContact O-N 3.05Å; C790-F794 HydrophobicContact CB-CD2 4.37Å; C790-F794 HydrophobicContact CB-CE2 4.24Å; C790-F794 VanDerWaalsContact O-CB 3.3Å; C790-F794 WeakPolarHBondContact O-CB 3.21Å; C790-F794 WeakPolarHBondContact O-CD2 3.26Å; C790-F794 VanDerWaalsContact O-CG 3.3Å; C790-F794 WeakPolarHBondContact O-CG 3.4Å; C790-F794 PolarHBondContact O-N 3.29Å
791V95.6Very high94.1Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-72.9-49.1180-178.30000110.8F708 A787 S788 Q789 G795 F798 Y799 L808 I835F708-V791 HydrophobicContact CE1-CG2 4.43Å; F708-V791 HydrophobicContact CZ-CG2 3.8Å; A787-V791 WeakPolarHBondContact O-CG2 3.35Å; A787-V791 PolarHBondContact O-N 3.15Å; S788-V791 PolarHBondContact O-N 3.31Å; S788-V791 VanDerWaalsContact O-N 3.17Å; Q789-V791 VanDerWaalsContact C-N 3.27Å; Q789-V791 PolarHBondContact O-N 3.28Å; V791-G795 WeakPolarHBondContact O-CA 3.49Å; V791-G795 PolarHBondContact O-N 2.83Å; V791-F798 HydrophobicContact CG1-CD1 4.08Å; V791-F798 HydrophobicContact CG1-CE1 4.24Å; V791-F798 HydrophobicContact CG2-CD1 4.28Å; V791-F798 HydrophobicContact CG2-CD2 4.43Å; V791-F798 HydrophobicContact CG2-CE1 3.93Å; V791-F798 HydrophobicContact CG2-CE2 4.09Å; V791-F798 HydrophobicContact CG2-CZ 3.83Å; V791-Y799 HydrophobicContact CG1-CE2 4.26Å; V791-Y799 WeakPolarHBondContact CG1-OH 3.22Å; V791-L808 HydrophobicContact CG2-CD2 3.93Å; V791-I835 HydrophobicContact CB-CD1 4.33Å; V791-I835 HydrophobicContact CB-CG1 4Å; V791-I835 HydrophobicContact CG1-CG1 4.17Å; V791-I835 HydrophobicContact CG1-CG2 3.9Å; V791-I835 HydrophobicContact CG2-CD1 4.09Å; V791-I835 HydrophobicContact CG2-CG1 4.32Å
792C93.5Very high94Very high34 Ų3428.4 Ų28.423%0.2316%0.157CC..Hα-helixtrans-73-35.3-172.4-72.20000114.2S788 Q789 P834 C838S788-C792 PolarHBondContact O-N 3.07Å; Q789-C792 PolarHBondContact O-N 3.39Å; C792-P834 PolarHBondContact SG-O 3.25Å; C792-P834 VanDerWaalsContact SG-O 3.42Å; C792-C838 WeakPolarHBondContact CA-SG 3.38Å; C792-C838 HydrophobicContact CB-CB 3.75Å; C792-C838 WeakPolarHBondContact CB-SG 3.47Å; C792-C838 WeakPolarHBondContact SG-CB 3.46Å; C792-C838 CovalentContact SG-SG 2.06Å; C792-C838 PolarHBondContact SG-SG 3.04Å
793R91.6Very high93.9Very high83 Ų8332.3 Ų32.331%0.31317%0.174SC..Hα-helixtrans-82.6-37.6-176.9-57.9-67.7-101.2174.1-19.2112.5L664 N665 I667 Q789L664-R793 PolarHBondContact O-NE 3.29Å; L664-R793 VanDerWaalsContact O-NE 3.12Å; N665-R793 PolarHBondContact O-NH2 3.39Å; I667-R793 VanDerWaalsContact O-CZ 3.24Å; I667-R793 PolarHBondContact O-NH2 2.71Å; Q789-R793 HydrophobicContact CB-CG 4.31Å; Q789-R793 WeakPolarHBondContact O-CB 3.23Å; Q789-R793 VanDerWaalsContact O-CG 3.25Å; Q789-R793 WeakPolarHBondContact O-CG 3.37Å; Q789-R793 PolarHBondContact O-N 2.84Å; Q789-R793 VanDerWaalsContact OE1-CG 3.26Å
794F92.4Very high93.8Very high2 Ų232.2 Ų32.21%0.00917%0.174CC..Hα-helixtrans-77.6-27.3174.7-59-35.2000112.5L664 H694 A696 F697 F700 L704 C790 W796 Q797 F798L664-F794 HydrophobicContact CD1-CZ 4.3Å; L664-F794 HydrophobicContact CD2-CD1 4.43Å; L664-F794 HydrophobicContact CD2-CE1 3.48Å; L664-F794 VanDerWaalsContact CD2-CE1 3.48Å; L664-F794 HydrophobicContact CD2-CE2 4.31Å; L664-F794 HydrophobicContact CD2-CZ 3.4Å; L664-F794 VanDerWaalsContact CD2-CZ 3.4Å; L664-F794 HydrophobicContact CG-CZ 4.45Å; H694-F794 HydrophobicContact CB-CD1 3.81Å; H694-F794 HydrophobicContact CB-CE1 4.25Å; H694-F794 AromaticContact CG-CD1 3.79Å; H694-F794 AromaticContact CG-CE1 3.91Å; H694-F794 AromaticContact ND1-CE1 3.62Å; A696-F794 HydrophobicContact CB-CE1 4.38Å; F697-F794 HydrophobicContact CB-CD1 4.13Å; F697-F794 HydrophobicContact CB-CE1 4.16Å; F697-F794 HydrophobicContact CD2-CB 3.91Å; F697-F794 AromaticContact CD2-CD1 3.86Å; F697-F794 HydrophobicContact CD2-CD1 3.86Å; F697-F794 AromaticContact CD2-CD2 3.85Å; F697-F794 HydrophobicContact CD2-CD2 3.85Å; F697-F794 HydrophobicContact CD2-CE1 4.31Å; F697-F794 HydrophobicContact CD2-CE2 4.32Å; F697-F794 AromaticContact CD2-CG 3.61Å; F697-F794 HydrophobicContact CD2-CG 3.61Å; F697-F794 HydrophobicContact CE2-CB 4.28Å; F697-F794 HydrophobicContact CE2-CD2 4.29Å; F697-F794 HydrophobicContact CE2-CG 4.28Å; F700-F794 HydrophobicContact CB-CE2 3.67Å; F700-F794 HydrophobicContact CB-CZ 3.43Å; F700-F794 VanDerWaalsContact CB-CZ 3.43Å; F700-F794 HydrophobicContact CD1-CE2 4.09Å; F700-F794 AromaticContact CD1-CZ 3.86Å; F700-F794 HydrophobicContact CD1-CZ 3.86Å; F700-F794 HydrophobicContact CD2-CZ 4.26Å; F700-F794 HydrophobicContact CG-CE2 4.09Å; F700-F794 AromaticContact CG-CZ 3.6Å; F700-F794 HydrophobicContact CG-CZ 3.6Å; L704-F794 HydrophobicContact CD2-CE2 4.26Å; C790-F794 HydrophobicContact CB-CD2 4.37Å; C790-F794 HydrophobicContact CB-CE2 4.24Å; C790-F794 VanDerWaalsContact O-CB 3.3Å; C790-F794 WeakPolarHBondContact O-CB 3.21Å; C790-F794 WeakPolarHBondContact O-CD2 3.26Å; C790-F794 VanDerWaalsContact O-CG 3.3Å; C790-F794 WeakPolarHBondContact O-CG 3.4Å; C790-F794 PolarHBondContact O-N 3.29Å; F794-W796 PolarHBondContact O-N 2.6Å; F794-Q797 HydrophobicContact CB-CB 4.37Å; F794-Q797 WeakPolarHBondContact O-CB 3.42Å; F794-Q797 PolarHBondContact O-N 2.92Å; F794-F798 HydrophobicContact CB-CB 4.01Å
795G88.8Confident93.7Very high18 Ų1833.4 Ų33.419%0.18618%0.182CC..THydrogen-bonded Turntrans50.9-114.8173.300000112V791 Q797 F798 Y799V791-G795 WeakPolarHBondContact O-CA 3.49Å; V791-G795 PolarHBondContact O-N 2.83Å; G795-Q797 VanDerWaalsContact C-N 3.25Å; G795-Q797 PolarHBondContact O-N 3.43Å; G795-F798 WeakPolarHBondContact O-CB 3.3Å; G795-F798 PolarHBondContact O-N 2.72Å; G795-F798 VanDerWaalsContact O-N 3.1Å; G795-Y799 WeakPolarHBondContact O-CD2 3.49Å; G795-Y799 PolarHBondContact O-N 3.39Å; G795-Y799 VanDerWaalsContact O-N 3.16Å
796W86.8Confident93.7Very high100 Ų10032.7 Ų32.738%0.37919%0.185SC..Hα-helixtrans-59.3-32.9-178.575.7-89.4000113.3A692 N693 F794 F798 Y799 A800A692-W796 PolarHBondContact O-NE1 3.38Å; N693-W796 WeakPolarHBondContact OD1-CZ2 3.18Å; F794-W796 PolarHBondContact O-N 2.6Å; W796-F798 VanDerWaalsContact C-N 3.32Å; W796-F798 PolarHBondContact O-N 3.42Å; W796-Y799 PolarHBondContact O-N 3.09Å; W796-A800 HydrophobicContact CE3-CB 4.48Å; W796-A800 WeakPolarHBondContact O-CB 3.38Å; W796-A800 PolarHBondContact O-N 3.3Å
797Q91.9Very high93.7Very high9 Ų933.4 Ų33.44%0.04219%0.189CC..Hα-helixtrans-66-36.5178-63.5174.7-86.400111.3N693 F697 F794 G795N693-Q797 PolarHBondContact OD1-NE2 3Å; F697-Q797 VanDerWaalsContact CB-NE2 3.31Å; F697-Q797 HydrophobicContact CD1-CB 4.16Å; F697-Q797 HydrophobicContact CD2-CB 3.68Å; F697-Q797 HydrophobicContact CE1-CB 4.07Å; F697-Q797 HydrophobicContact CE2-CB 3.58Å; F697-Q797 HydrophobicContact CG-CB 3.96Å; F697-Q797 HydrophobicContact CG-CG 4.46Å; F697-Q797 VanDerWaalsContact CG-NE2 3.35Å; F697-Q797 HydrophobicContact CZ-CB 3.78Å; F697-Q797 WeakPolarHBondContact CZ-O 3.38Å; F794-Q797 HydrophobicContact CB-CB 4.37Å; F794-Q797 WeakPolarHBondContact O-CB 3.42Å; F794-Q797 PolarHBondContact O-N 2.92Å; G795-Q797 VanDerWaalsContact C-N 3.25Å; G795-Q797 PolarHBondContact O-N 3.43Å
798F94.9Very high93.8Very high0 Ų033.6 Ų33.60%019%0.19CC..Hα-helixtrans-66.2-49173.8-180-90.4000111L704 F708 V791 F794 G795 W796 A800 M801 A804 M807 L808L704-F798 HydrophobicContact CD1-CD2 4.11Å; L704-F798 HydrophobicContact CD1-CE2 4.44Å; F708-F798 HydrophobicContact CE1-CZ 4.45Å; F708-F798 AromaticContact CE2-CE2 3.97Å; F708-F798 HydrophobicContact CE2-CE2 3.97Å; F708-F798 HydrophobicContact CE2-CZ 4.44Å; F708-F798 AromaticContact CZ-CE2 3.86Å; F708-F798 HydrophobicContact CZ-CE2 3.86Å; F708-F798 AromaticContact CZ-CZ 3.95Å; F708-F798 HydrophobicContact CZ-CZ 3.95Å; V791-F798 HydrophobicContact CG1-CD1 4.08Å; V791-F798 HydrophobicContact CG1-CE1 4.24Å; V791-F798 HydrophobicContact CG2-CD1 4.28Å; V791-F798 HydrophobicContact CG2-CD2 4.43Å; V791-F798 HydrophobicContact CG2-CE1 3.93Å; V791-F798 HydrophobicContact CG2-CE2 4.09Å; V791-F798 HydrophobicContact CG2-CZ 3.83Å; F794-F798 HydrophobicContact CB-CB 4.01Å; G795-F798 WeakPolarHBondContact O-CB 3.3Å; G795-F798 PolarHBondContact O-N 2.72Å; G795-F798 VanDerWaalsContact O-N 3.1Å; W796-F798 VanDerWaalsContact C-N 3.32Å; W796-F798 PolarHBondContact O-N 3.42Å; F798-A800 VanDerWaalsContact C-N 3.26Å; F798-A800 PolarHBondContact O-N 3.16Å; F798-M801 HydrophobicContact CD2-CE 3.47Å; F798-M801 VanDerWaalsContact CD2-CE 3.47Å; F798-M801 HydrophobicContact CE2-CE 3.66Å; F798-M801 HydrophobicContact CG-CE 4.05Å; F798-M801 HydrophobicContact CZ-CE 4.4Å; F798-M801 VanDerWaalsContact O-CB 3.32Å; F798-M801 WeakPolarHBondContact O-CB 3.36Å; F798-M801 WeakPolarHBondContact O-CG 3.35Å; F798-M801 PolarHBondContact O-N 3.09Å; F798-M801 VanDerWaalsContact O-N 3.1Å; F798-A804 HydrophobicContact CD1-CB 4.03Å; F798-A804 HydrophobicContact CE1-CB 3.74Å; F798-A804 HydrophobicContact CZ-CB 4.38Å; F798-A804 WeakPolarHBondContact O-CB 3.4Å; F798-M807 HydrophobicContact CE2-CE 4.33Å; F798-M807 HydrophobicContact CE2-SD 4.42Å; F798-M807 HydrophobicContact CZ-CB 4.4Å; F798-L808 HydrophobicContact CE1-CD1 4.41Å; F798-L808 HydrophobicContact CE1-CG 4.31Å; F798-L808 HydrophobicContact CZ-CG 4.48Å
799Y93.5Very high93.8Very high10 Ų1037.5 Ų37.54%0.03920%0.204CC..Hα-helixtrans-71.2-18.5-178.7-67-67.6000114V791 G795 W796 M801 A804 L808 Q843 F846V791-Y799 HydrophobicContact CG1-CE2 4.26Å; V791-Y799 WeakPolarHBondContact CG1-OH 3.22Å; G795-Y799 WeakPolarHBondContact O-CD2 3.49Å; G795-Y799 PolarHBondContact O-N 3.39Å; G795-Y799 VanDerWaalsContact O-N 3.16Å; W796-Y799 PolarHBondContact O-N 3.09Å; Y799-M801 PolarHBondContact O-N 3.4Å; Y799-A804 HydrophobicContact CD1-CB 4.44Å; Y799-L808 HydrophobicContact CE1-CD1 4.4Å; Y799-Q843 HydrophobicContact CD1-CB 4.35Å; Y799-Q843 HydrophobicContact CD2-CB 3.93Å; Y799-Q843 HydrophobicContact CD2-CG 3.66Å; Y799-Q843 HydrophobicContact CE1-CB 4.49Å; Y799-Q843 HydrophobicContact CE2-CB 4.08Å; Y799-Q843 HydrophobicContact CE2-CG 4.2Å; Y799-Q843 VanDerWaalsContact CE2-OE1 3.31Å; Y799-Q843 HydrophobicContact CG-CB 4.07Å; Y799-Q843 HydrophobicContact CG-CG 3.92Å; Y799-F846 HydrophobicContact CD1-CB 3.68Å; Y799-F846 HydrophobicContact CD1-CD1 4.27Å; Y799-F846 AromaticContact CD1-CD2 3.75Å; Y799-F846 HydrophobicContact CD1-CD2 3.75Å; Y799-F846 HydrophobicContact CD1-CE2 4.45Å; Y799-F846 AromaticContact CD1-CG 3.64Å; Y799-F846 HydrophobicContact CD1-CG 3.64Å; Y799-F846 HydrophobicContact CE1-CB 3.78Å; Y799-F846 HydrophobicContact CE1-CG 4.28Å; Y799-F846 HydrophobicContact CG-CD2 4.3Å; Y799-F846 WeakPolarHBondContact O-CE1 3.39Å; Y799-F846 WeakPolarHBondContact O-CZ 3.17Å
800A90.6Very high93.8Very high69 Ų6939.3 Ų39.357%0.5722%0.216SC*.THydrogen-bonded Turntrans-68.1-17.9170.700000112.6W796 F798W796-A800 HydrophobicContact CE3-CB 4.48Å; W796-A800 WeakPolarHBondContact O-CB 3.38Å; W796-A800 PolarHBondContact O-N 3.3Å; F798-A800 VanDerWaalsContact C-N 3.26Å; F798-A800 PolarHBondContact O-N 3.16Å
801M93.3Very high93.8Very high11 Ų1139.6 Ų39.65%0.05422%0.219CC..SBendtrans-73.9132.8177.3-60-169.1-62.300111.2F697 Q701 L704 F798 Y799 Q803 A804 M807F697-M801 HydrophobicContact CZ-CG 4.4Å; F697-M801 HydrophobicContact CZ-SD 4.42Å; Q701-M801 HydrophobicContact CG-SD 4.19Å; L704-M801 HydrophobicContact CD1-CE 3.49Å; L704-M801 VanDerWaalsContact CD1-CE 3.49Å; L704-M801 HydrophobicContact CD1-SD 3.85Å; F798-M801 HydrophobicContact CD2-CE 3.47Å; F798-M801 VanDerWaalsContact CD2-CE 3.47Å; F798-M801 HydrophobicContact CE2-CE 3.66Å; F798-M801 HydrophobicContact CG-CE 4.05Å; F798-M801 HydrophobicContact CZ-CE 4.4Å; F798-M801 VanDerWaalsContact O-CB 3.32Å; F798-M801 WeakPolarHBondContact O-CB 3.36Å; F798-M801 WeakPolarHBondContact O-CG 3.35Å; F798-M801 PolarHBondContact O-N 3.09Å; F798-M801 VanDerWaalsContact O-N 3.1Å; Y799-M801 PolarHBondContact O-N 3.4Å; M801-Q803 PolarHBondContact O-N 2.72Å; M801-A804 WeakPolarHBondContact O-CB 3.5Å; M801-A804 PolarHBondContact O-N 3.05Å; M801-A804 VanDerWaalsContact O-N 3.08Å; M801-M807 HydrophobicContact CE-SD 3.93Å
802P91.8Very high93.9Very high133 Ų13339.6 Ų39.686%0.86422%0.219SC*.THydrogen-bonded Turntrans-57-28.2179-25.833.6000114.3
803Q93.9Very high94.1Very high107 Ų10738.2 Ų38.250%0.521%0.209SC..THydrogen-bonded Turntrans-953.2-175.953.5-148.210.600114.3M801 S805 A806 M807M801-Q803 PolarHBondContact O-N 2.72Å; Q803-S805 PolarHBondContact O-N 3.32Å; Q803-A806 PolarHBondContact O-N 3.36Å; Q803-A806 VanDerWaalsContact O-N 3.09Å; Q803-M807 HydrophobicContact CG-SD 4.09Å; Q803-M807 VanDerWaalsContact O-CG 3.27Å; Q803-M807 WeakPolarHBondContact O-CG 3.39Å; Q803-M807 PolarHBondContact O-N 3.04Å
804A95.6Very high94.3Very high0 Ų034.6 Ų34.60%020%0.198CC..Hα-helixtrans-53.1-49.2-176.600000113.5F798 Y799 M801 A806 M807 L808 F846F798-A804 HydrophobicContact CD1-CB 4.03Å; F798-A804 HydrophobicContact CE1-CB 3.74Å; F798-A804 HydrophobicContact CZ-CB 4.38Å; F798-A804 WeakPolarHBondContact O-CB 3.4Å; Y799-A804 HydrophobicContact CD1-CB 4.44Å; M801-A804 WeakPolarHBondContact O-CB 3.5Å; M801-A804 PolarHBondContact O-N 3.05Å; M801-A804 VanDerWaalsContact O-N 3.08Å; A804-A806 PolarHBondContact O-N 2.97Å; A804-M807 PolarHBondContact O-N 2.97Å; A804-L808 WeakPolarHBondContact O-CG 3.29Å; A804-L808 PolarHBondContact O-N 2.47Å; A804-L808 VanDerWaalsContact O-N 3.15Å; A804-F846 HydrophobicContact CB-CD1 4.04Å; A804-F846 HydrophobicContact CB-CE1 4.32Å
805S95.5Very high94.5Very high25 Ų2537 Ų3718%0.17521%0.211CC..Hα-helixtrans-66.9-38179.1-168.80000112.4Q803 L808 R809 F846Q803-S805 PolarHBondContact O-N 3.32Å; S805-L808 PolarHBondContact O-N 2.83Å; S805-R809 WeakPolarHBondContact O-CB 3.25Å; S805-R809 PolarHBondContact O-N 2.91Å; S805-F846 WeakPolarHBondContact CB-O 3.32Å; S805-F846 PolarHBondContact OG-O 3.35Å
806A96.4Very high94.8Very high36 Ų3636.9 Ų36.930%0.29821%0.205SC..Hα-helixtrans-66.4-38.6176.600000111.5Q803 A804 L808 R809 D810Q803-A806 PolarHBondContact O-N 3.36Å; Q803-A806 VanDerWaalsContact O-N 3.09Å; A804-A806 PolarHBondContact O-N 2.97Å; A806-L808 VanDerWaalsContact C-N 3.33Å; A806-L808 PolarHBondContact O-N 3.37Å; A806-R809 PolarHBondContact O-N 3.46Å; A806-D810 WeakPolarHBondContact O-CA 3.41Å; A806-D810 WeakPolarHBondContact O-CB 3.42Å; A806-D810 PolarHBondContact O-N 3.21Å
807M97.4Very high95.1Very high16 Ų1636.5 Ų36.58%0.07921%0.207CC..Iπ-helixtrans-63.2-39.3175.2-69.2177.371.900112.1L704 F708 F798 M801 Q803 A804 G811 L812L704-M807 HydrophobicContact CB-CE 3.54Å; L704-M807 VanDerWaalsContact O-CE 3.28Å; L704-M807 WeakPolarHBondContact O-CE 3.11Å; F708-M807 HydrophobicContact CB-CB 4.4Å; F708-M807 HydrophobicContact CB-CE 3.94Å; F708-M807 HydrophobicContact CD1-CB 4.02Å; F708-M807 HydrophobicContact CD1-CE 4.47Å; F708-M807 VanDerWaalsContact CD1-O 3.22Å; F708-M807 WeakPolarHBondContact CD1-O 3.29Å; F708-M807 HydrophobicContact CD2-CE 3.26Å; F708-M807 HydrophobicContact CE1-CB 4.45Å; F708-M807 HydrophobicContact CE2-CE 3.81Å; F708-M807 HydrophobicContact CG-CB 4.11Å; F708-M807 HydrophobicContact CG-CE 3.63Å; F798-M807 HydrophobicContact CE2-CE 4.33Å; F798-M807 HydrophobicContact CE2-SD 4.42Å; F798-M807 HydrophobicContact CZ-CB 4.4Å; M801-M807 HydrophobicContact CE-SD 3.93Å; Q803-M807 HydrophobicContact CG-SD 4.09Å; Q803-M807 VanDerWaalsContact O-CG 3.27Å; Q803-M807 WeakPolarHBondContact O-CG 3.39Å; Q803-M807 PolarHBondContact O-N 3.04Å; A804-M807 PolarHBondContact O-N 2.97Å; M807-G811 CarbonylContact O-C 3.24Å; M807-G811 WeakPolarHBondContact O-CA 3.16Å; M807-G811 PolarHBondContact O-N 3.45Å; M807-L812 PolarHBondContact O-N 3.45Å
808L97.6Very high95.2Very high5 Ų539.8 Ų39.83%0.02622%0.22CC..Iπ-helixtrans-67.7-45.8174.9-67173.8000112F708 V791 F798 Y799 A804 S805 A806 L812 L813 I835 L847 P850F708-L808 HydrophobicContact CE1-CD2 4.15Å; V791-L808 HydrophobicContact CG2-CD2 3.93Å; F798-L808 HydrophobicContact CE1-CD1 4.41Å; F798-L808 HydrophobicContact CE1-CG 4.31Å; F798-L808 HydrophobicContact CZ-CG 4.48Å; Y799-L808 HydrophobicContact CE1-CD1 4.4Å; A804-L808 WeakPolarHBondContact O-CG 3.29Å; A804-L808 PolarHBondContact O-N 2.47Å; A804-L808 VanDerWaalsContact O-N 3.15Å; S805-L808 PolarHBondContact O-N 2.83Å; A806-L808 VanDerWaalsContact C-N 3.33Å; A806-L808 PolarHBondContact O-N 3.37Å; L808-L812 HydrophobicContact CD2-CD2 4.27Å; L808-L813 WeakPolarHBondContact O-CB 3.44Å; L808-L813 WeakPolarHBondContact O-CG 3.38Å; L808-L813 PolarHBondContact O-N 3.29Å; L808-I835 HydrophobicContact CD2-CD1 4.22Å; L808-L847 HydrophobicContact CD1-CD2 3.63Å; L808-P850 HydrophobicContact CB-CB 4.22Å; L808-P850 HydrophobicContact CB-CG 3.71Å
809R96.5Very high95.1Very high84 Ų8440.1 Ų40.132%0.31722%0.222SC..Iπ-helixtrans-74.8-53.6-176.2-175.2-173.966.7-141.3-6.7113.1S805 A806 L813 G814 S849 P850S805-R809 WeakPolarHBondContact O-CB 3.25Å; S805-R809 PolarHBondContact O-N 2.91Å; A806-R809 PolarHBondContact O-N 3.46Å; R809-L813 CarbonylContact O-C 3.41Å; R809-L813 VanDerWaalsContact O-C 3.25Å; R809-G814 PolarHBondContact O-N 3.48Å; R809-G814 VanDerWaalsContact O-N 3.16Å; R809-S849 WeakPolarHBondContact CD-OG 3.41Å; R809-S849 PolarHBondContact NH1-OG 3.42Å; R809-P850 HydrophobicContact CB-CB 4.28Å; R809-P850 HydrophobicContact CB-CG 4.04Å
810D96.2Very high95Very high84 Ų8442.2 Ų42.245%0.44923%0.234SC..Iπ-helixtrans-93.7-20.3-170-51.8-36.2000111.8C712 A806 G814C712-D810 PolarHBondContact SG-O 3.16Å; A806-D810 WeakPolarHBondContact O-CA 3.41Å; A806-D810 WeakPolarHBondContact O-CB 3.42Å; A806-D810 PolarHBondContact O-N 3.21Å; D810-G814 WeakPolarHBondContact O-CA 3.47Å
811G96.8Very high95.1Very high6 Ų640.4 Ų40.46%0.06222%0.215CC..Iπ-helixtrans-93.1-82.8173.900000112F708 C712 M807 L813 G814F708-G811 CarbonylContact O-C 3.57Å; F708-G811 VanDerWaalsContact O-CA 3.25Å; F708-G811 WeakPolarHBondContact O-CA 3.37Å; C712-G811 VanDerWaalsContact CA-O 3.31Å; C712-G811 WeakPolarHBondContact CA-O 3.27Å; C712-G811 WeakPolarHBondContact CB-O 3.49Å; C712-G811 PolarHBondContact N-O 2.94Å; M807-G811 CarbonylContact O-C 3.24Å; M807-G811 WeakPolarHBondContact O-CA 3.16Å; M807-G811 PolarHBondContact O-N 3.45Å; G811-L813 PolarHBondContact O-N 3.1Å; G811-G814 PolarHBondContact O-N 3Å
812L97.6Very high95.1Very high0 Ų040.9 Ų40.90%022%0.216CC..Iπ-helixtrans-60.4-44.5-173.2179.363.4000113F708 A711 N715 F784 A787 M807 L808 L827 A831 I835F708-L812 HydrophobicContact CD1-CB 3.89Å; F708-L812 HydrophobicContact CE1-CB 3.96Å; A711-L812 HydrophobicContact CB-CD1 4.35Å; N715-L812 PolarHBondContact ND2-O 3.41Å; F784-L812 HydrophobicContact CD1-CD1 4.45Å; A787-L812 HydrophobicContact CB-CD1 3.94Å; M807-L812 PolarHBondContact O-N 3.45Å; L808-L812 HydrophobicContact CD2-CD2 4.27Å; L812-L827 HydrophobicContact CD1-CD1 3.6Å; L812-L827 HydrophobicContact CG-CD1 4Å; L812-A831 HydrophobicContact CD1-CB 4.17Å; L812-A831 HydrophobicContact CD2-CB 4.14Å; L812-I835 HydrophobicContact CD2-CD1 3.48Å; L812-I835 VanDerWaalsContact CD2-CD1 3.48Å
813L97.2Very high95.3Very high4 Ų435.2 Ų35.22%0.02118%0.177CC..THydrogen-bonded Turntrans-93.43.6175.3-56.9-178.3000112.4L808 R809 G811 N815 H816 L827 L832 P850 F854L808-L813 WeakPolarHBondContact O-CB 3.44Å; L808-L813 WeakPolarHBondContact O-CG 3.38Å; L808-L813 PolarHBondContact O-N 3.29Å; R809-L813 CarbonylContact O-C 3.41Å; R809-L813 VanDerWaalsContact O-C 3.25Å; G811-L813 PolarHBondContact O-N 3.1Å; L813-N815 PolarHBondContact O-N 2.88Å; L813-H816 PolarHBondContact O-N 2.9Å; L813-H816 PolarHBondContact O-ND1 3.29Å; L813-L827 HydrophobicContact CD2-CD2 4.04Å; L813-L827 HydrophobicContact CD2-CG 4.44Å; L813-L832 HydrophobicContact CD1-CD1 4.43Å; L813-L832 HydrophobicContact CD2-CD1 4.38Å; L813-L832 HydrophobicContact CD2-CD2 4.31Å; L813-P850 HydrophobicContact CD1-CB 3.78Å; L813-F854 HydrophobicContact CD1-CB 4.17Å; L813-F854 HydrophobicContact CD1-CD2 4.42Å; L813-F854 HydrophobicContact CD1-CG 4.41Å; L813-F854 HydrophobicContact CD2-CD2 4.16Å; L813-F854 HydrophobicContact CD2-CE2 4.31Å
814G95.9Very high95.4Very high8 Ų830.4 Ų30.48%0.08216%0.155CC..THydrogen-bonded Turntrans-61.3139.6173.800000110.1N715 R809 D810 G811 H816N715-G814 WeakPolarHBondContact CB-O 3.49Å; N715-G814 PolarHBondContact ND2-O 3.32Å; R809-G814 PolarHBondContact O-N 3.48Å; R809-G814 VanDerWaalsContact O-N 3.16Å; D810-G814 WeakPolarHBondContact O-CA 3.47Å; G811-G814 PolarHBondContact O-N 3Å; G814-H816 PolarHBondContact O-N 3.15Å
815N95.9Very high95.3Very high53 Ų5331 Ų3128%0.28316%0.158SC..THydrogen-bonded Turntrans58.911.3179.5-66.7-29.2000116.7C712 N715 L813 Q817 Y818C712-N815 PolarHBondContact O-ND2 3.48Å; C712-N815 VanDerWaalsContact O-ND2 3.1Å; C712-N815 PolarHBondContact SG-ND2 3.3Å; N715-N815 HydrophobicContact CB-CB 3.94Å; L813-N815 PolarHBondContact O-N 2.88Å; N815-Q817 PolarHBondContact O-N 3.28Å; N815-Y818 HydrophobicContact CB-CD2 3.95Å; N815-Y818 PolarHBondContact O-N 3.1Å
816H94.9Very high95.3Very high15 Ų1530.1 Ų30.17%0.06915%0.151CC..G310 helixtrans-55.7-26.4-177.369.5-84.5000114.2L813 G814 Y818 C819 L827 F854 H857L813-H816 PolarHBondContact O-N 2.9Å; L813-H816 PolarHBondContact O-ND1 3.29Å; G814-H816 PolarHBondContact O-N 3.15Å; H816-Y818 PolarHBondContact O-N 3.32Å; H816-C819 WeakPolarHBondContact O-CB 3.45Å; H816-C819 PolarHBondContact O-N 3.1Å; H816-L827 HydrophobicContact CB-CD2 4.32Å; H816-F854 HydrophobicContact CB-CE2 4.46Å; H816-F854 AromaticContact CD2-CD2 3.66Å; H816-F854 AromaticContact CD2-CE2 3.85Å; H816-F854 AromaticContact NE2-CD2 3.87Å; H816-H857 AromaticContact CE1-ND1 3.88Å; H816-H857 WeakPolarHBondContact NE2-CB 3.47Å; H816-H857 AromaticContact NE2-CD2 3.97Å; H816-H857 AromaticContact NE2-CG 3.3Å; H816-H857 VanDerWaalsContact NE2-CG 3.3Å; H816-H857 AromaticContact NE2-ND1 3.39Å; H816-H857 PolarHBondContact NE2-ND1 3.3Å
817Q93.5Very high95.4Very high91 Ų9128.4 Ų28.443%0.42514%0.137SC..G310 helixtrans-60.7-24.3175.568.6-170.98.700113.7N815 H857 R861N815-Q817 PolarHBondContact O-N 3.28Å; Q817-H857 PolarHBondContact OE1-NE2 3.06Å; Q817-R861 PolarHBondContact O-NH1 3.06Å
818Y94.2Very high95.4Very high79 Ų7927.6 Ų27.631%0.3113%0.133SC..G310 helixtrans-93.6-7.4179.5-55.4-63.4000113.4C718 Q719 N815 H816C718-Y818 WeakPolarHBondContact CB-O 3.26Å; Q719-Y818 HydrophobicContact CB-CD1 4.38Å; Q719-Y818 HydrophobicContact CB-CD2 4.5Å; Q719-Y818 HydrophobicContact CB-CG 4.31Å; Q719-Y818 HydrophobicContact CG-CD1 4.26Å; Q719-Y818 HydrophobicContact CG-CE1 4.03Å; Q719-Y818 HydrophobicContact CG-CE2 4.31Å; N815-Y818 HydrophobicContact CB-CD2 3.95Å; N815-Y818 PolarHBondContact O-N 3.1Å; H816-Y818 PolarHBondContact O-N 3.32Å
819C92.7Very high95.3Very high6 Ų631.4 Ų31.44%0.04115%0.147CC..SBendtrans-61143.2177.9-690000110.8N715 H816 R823 L824 R861N715-C819 VanDerWaalsContact CB-SG 3.6Å; N715-C819 PolarHBondContact OD1-SG 3.06Å; H816-C819 WeakPolarHBondContact O-CB 3.45Å; H816-C819 PolarHBondContact O-N 3.1Å; C819-R823 HydrophobicContact CB-CB 4.4Å; C819-L824 HydrophobicContact CB-CB 4.12Å; C819-R861 PolarHBondContact O-NH1 3.23Å; C819-R861 PolarHBondContact O-NH2 2.66Å
820L91.7Very high95.3Very high55 Ų5530.8 Ų30.829%0.28815%0.147SC..  trans-64.1152.3160.6-61.6174.9000109.3L738 Y822 R823 L824L738-L820 HydrophobicContact CD1-CD1 4.43Å; L820-Y822 PolarHBondContact O-N 2.89Å; L820-Y822 VanDerWaalsContact O-N 3.17Å; L820-R823 HydrophobicContact CB-CG 4.27Å; L820-R823 PolarHBondContact O-N 3.08Å; L820-L824 PolarHBondContact O-N 3.34Å
821D93Very high95.3Very high31 Ų3126.8 Ų26.817%0.16613%0.125CC..Hα-helixtrans-56-37.6-179.3-60.8-47.2000111.6R823 L824 H825 R861 L894 L898D821-R823 VanDerWaalsContact C-N 3.34Å; D821-R823 PolarHBondContact O-N 3.33Å; D821-L824 PolarHBondContact O-N 2.97Å; D821-H825 PolarHBondContact O-N 2.79Å; D821-R861 IonicContact OD1-CZ 2.78Å; D821-R861 IonicContact OD1-NE 2.78Å; D821-R861 PolarHBondContact OD1-NE 3.45Å; D821-R861 IonicContact OD1-NH2 3.97Å; D821-R861 PolarHBondContact OD1-NH2 3.34Å; D821-R861 IonicContact OD2-NH2 2.83Å; D821-L894 HydrophobicContact CB-CD1 4.22Å; D821-L894 HydrophobicContact CB-CD2 3.95Å; D821-L894 HydrophobicContact CB-CG 3.87Å; D821-L898 HydrophobicContact CB-CD2 4.1Å
822Y93.4Very high95.3Very high21 Ų2126.9 Ų26.98%0.08212%0.124CC..Hα-helixtrans-58.5-44.7174.7-164.8-97.6000112.3L738 E742 V746 L820 H825 M826 L894 M897L738-Y822 HydrophobicContact CD1-CG 4.35Å; L738-Y822 HydrophobicContact CD2-CD1 3.97Å; L738-Y822 HydrophobicContact CD2-CD2 3.4Å; L738-Y822 VanDerWaalsContact CD2-CD2 3.4Å; L738-Y822 HydrophobicContact CD2-CE2 4.06Å; L738-Y822 HydrophobicContact CD2-CG 3.37Å; L738-Y822 HydrophobicContact CG-CD1 4.03Å; L738-Y822 HydrophobicContact CG-CD2 4.32Å; L738-Y822 HydrophobicContact CG-CG 3.78Å; E742-Y822 HydrophobicContact CB-CE1 3.86Å; E742-Y822 HydrophobicContact CB-CE2 4.2Å; E742-Y822 HydrophobicContact CG-CE1 3.6Å; E742-Y822 WeakPolarHBondContact OE1-CE1 3.45Å; V746-Y822 HydrophobicContact CG2-CD2 3.68Å; V746-Y822 HydrophobicContact CG2-CE2 3.6Å; L820-Y822 PolarHBondContact O-N 2.89Å; L820-Y822 VanDerWaalsContact O-N 3.17Å; Y822-H825 VanDerWaalsContact C-CD2 3.42Å; Y822-H825 WeakPolarHBondContact CA-CD2 3.46Å; Y822-H825 AromaticContact CD2-CD2 3.79Å; Y822-H825 AromaticContact CD2-NE2 3.17Å; Y822-H825 WeakPolarHBondContact CD2-NE2 3.28Å; Y822-H825 AromaticContact CE1-NE2 4Å; Y822-H825 AromaticContact CE2-NE2 3.17Å; Y822-H825 WeakPolarHBondContact CE2-NE2 3.48Å; Y822-H825 AromaticContact CG-NE2 3.6Å; Y822-H825 AromaticContact CZ-NE2 3.59Å; Y822-H825 PolarHBondContact O-CD2 3.18Å; Y822-H825 PolarHBondContact O-NE2 3.1Å; Y822-M826 HydrophobicContact CD1-SD 3.99Å; Y822-M826 HydrophobicContact CE1-CG 4.34Å; Y822-M826 HydrophobicContact CE1-SD 3.64Å; Y822-M826 WeakPolarHBondContact O-CG 3.48Å; Y822-M826 PolarHBondContact O-N 3.14Å; Y822-L894 HydrophobicContact CD2-CD1 4.03Å; Y822-M897 HydrophobicContact CD2-CE 3.81Å; Y822-M897 HydrophobicContact CE2-CE 3.97Å
823R94.6Very high95.3Very high13 Ų1328 Ų285%0.04913%0.13CC..Hα-helixtrans-74.5-33.3-179.4-54.5-56.2177.4-164.6-6.9111.8E742 I780 C819 L820 D821 M826 L827E742-R823 VanDerWaalsContact CD-NH2 3.34Å; E742-R823 IonicContact OE1-CZ 3.55Å; E742-R823 IonicContact OE1-NH1 2.66Å; E742-R823 PolarHBondContact OE1-NH1 3.28Å; E742-R823 IonicContact OE1-NH2 2.93Å; E742-R823 PolarHBondContact OE1-NH2 3.46Å; E742-R823 IonicContact OE2-CZ 3.53Å; E742-R823 IonicContact OE2-NH2 3.2Å; E742-R823 PolarHBondContact OE2-NH2 3.29Å; I780-R823 HydrophobicContact CD1-CG 4.36Å; C819-R823 HydrophobicContact CB-CB 4.4Å; L820-R823 HydrophobicContact CB-CG 4.27Å; L820-R823 PolarHBondContact O-N 3.08Å; D821-R823 VanDerWaalsContact C-N 3.34Å; D821-R823 PolarHBondContact O-N 3.33Å; R823-M826 PolarHBondContact NH1-SD 2.89Å; R823-M826 VanDerWaalsContact NH1-SD 3.42Å; R823-M826 PolarHBondContact O-N 2.91Å; R823-L827 PolarHBondContact O-N 3.45Å
824L95.9Very high95.1Very high6 Ų629.9 Ų29.93%0.03114%0.142CC..Hα-helixtrans-66.6-40.1177.5-174.359.5000111.9C819 L820 D821 M826 L827 I828 F854 L898C819-L824 HydrophobicContact CB-CB 4.12Å; L820-L824 PolarHBondContact O-N 3.34Å; D821-L824 PolarHBondContact O-N 2.97Å; L824-M826 VanDerWaalsContact C-N 3.33Å; L824-M826 PolarHBondContact O-N 3.26Å; L824-L827 HydrophobicContact CD1-CD2 4.24Å; L824-L827 PolarHBondContact O-N 3.26Å; L824-I828 HydrophobicContact CG-CD1 4.27Å; L824-I828 WeakPolarHBondContact O-CG1 3.42Å; L824-I828 PolarHBondContact O-N 3.4Å; L824-I828 VanDerWaalsContact O-N 3.07Å; L824-F854 HydrophobicContact CD1-CE2 3.89Å; L824-F854 HydrophobicContact CD1-CZ 4.03Å; L824-L898 HydrophobicContact CB-CD1 4.2Å; L824-L898 HydrophobicContact CD2-CD1 4.11Å; L824-L898 HydrophobicContact CD2-CD2 4.21Å; L824-L898 HydrophobicContact CG-CD1 3.96Å
825H94.9Very high95.1Very high12 Ų1229.5 Ų29.56%0.05614%0.138CC..Hα-helixtrans-64.6-39.8174.99073.2000110.8D821 Y822 L827 I828 R829 M897 L898 D901D821-H825 PolarHBondContact O-N 2.79Å; Y822-H825 VanDerWaalsContact C-CD2 3.42Å; Y822-H825 WeakPolarHBondContact CA-CD2 3.46Å; Y822-H825 AromaticContact CD2-CD2 3.79Å; Y822-H825 AromaticContact CD2-NE2 3.17Å; Y822-H825 WeakPolarHBondContact CD2-NE2 3.28Å; Y822-H825 AromaticContact CE1-NE2 4Å; Y822-H825 AromaticContact CE2-NE2 3.17Å; Y822-H825 WeakPolarHBondContact CE2-NE2 3.48Å; Y822-H825 AromaticContact CG-NE2 3.6Å; Y822-H825 AromaticContact CZ-NE2 3.59Å; Y822-H825 PolarHBondContact O-CD2 3.18Å; Y822-H825 PolarHBondContact O-NE2 3.1Å; H825-L827 PolarHBondContact O-N 2.61Å; H825-I828 PolarHBondContact O-N 3.29Å; H825-R829 WeakPolarHBondContact O-CB 3.34Å; H825-R829 PolarHBondContact O-N 3.49Å; H825-M897 WeakPolarHBondContact CD2-CE 3.41Å; H825-M897 VanDerWaalsContact NE2-CE 3.33Å; H825-M897 WeakPolarHBondContact NE2-CE 2.93Å; H825-L898 HydrophobicContact CB-CD1 4.01Å; H825-D901 WeakPolarHBondContact CB-OD2 3.34Å; H825-D901 IonicContact CG-OD2 3.03Å; H825-D901 IonicContact ND1-OD2 2.9Å
826M95.7Very high95.1Very high7 Ų727 Ų273%0.03413%0.125CC..Hα-helixtrans-61.1-43.5175.7-67.2178.373.700111.7D781 F784 Y822 R823 L824 I828 R829 K830D781-M826 HydrophobicContact CB-CE 3.73Å; D781-M826 WeakPolarHBondContact OD1-CE 3.39Å; F784-M826 HydrophobicContact CD2-CB 4.07Å; F784-M826 HydrophobicContact CE2-CB 4.17Å; Y822-M826 HydrophobicContact CD1-SD 3.99Å; Y822-M826 HydrophobicContact CE1-CG 4.34Å; Y822-M826 HydrophobicContact CE1-SD 3.64Å; Y822-M826 WeakPolarHBondContact O-CG 3.48Å; Y822-M826 PolarHBondContact O-N 3.14Å; R823-M826 PolarHBondContact NH1-SD 2.89Å; R823-M826 VanDerWaalsContact NH1-SD 3.42Å; R823-M826 PolarHBondContact O-N 2.91Å; L824-M826 VanDerWaalsContact C-N 3.33Å; L824-M826 PolarHBondContact O-N 3.26Å; M826-I828 VanDerWaalsContact C-N 3.32Å; M826-I828 PolarHBondContact O-N 3.39Å; M826-R829 PolarHBondContact O-N 2.82Å; M826-K830 HydrophobicContact CE-CD 4.42Å; M826-K830 VanDerWaalsContact O-CB 3.26Å; M826-K830 WeakPolarHBondContact O-CB 3.29Å; M826-K830 WeakPolarHBondContact O-CG 3.23Å; M826-K830 PolarHBondContact O-N 3.32Å
827L97.6Very high94.9Very high0 Ų028.5 Ų28.50%013%0.134CC..Hα-helixtrans-58.2-44.7176.1176.362.4000111.4F784 L812 L813 H816 R823 L824 H825 A831 L832F784-L827 HydrophobicContact CD1-CD1 3.97Å; F784-L827 HydrophobicContact CD2-CB 4.16Å; F784-L827 HydrophobicContact CE1-CD1 3.83Å; F784-L827 HydrophobicContact CE2-CB 3.7Å; F784-L827 HydrophobicContact CE2-CD1 4.41Å; F784-L827 HydrophobicContact CG-CD1 4.35Å; F784-L827 HydrophobicContact CZ-CB 3.91Å; F784-L827 HydrophobicContact CZ-CD1 4.05Å; F784-L827 HydrophobicContact CZ-CG 4.47Å; L812-L827 HydrophobicContact CD1-CD1 3.6Å; L812-L827 HydrophobicContact CG-CD1 4Å; L813-L827 HydrophobicContact CD2-CD2 4.04Å; L813-L827 HydrophobicContact CD2-CG 4.44Å; H816-L827 HydrophobicContact CB-CD2 4.32Å; R823-L827 PolarHBondContact O-N 3.45Å; L824-L827 HydrophobicContact CD1-CD2 4.24Å; L824-L827 PolarHBondContact O-N 3.26Å; H825-L827 PolarHBondContact O-N 2.61Å; L827-A831 HydrophobicContact CD1-CB 4.33Å; L827-A831 WeakPolarHBondContact O-CB 3.12Å; L827-A831 PolarHBondContact O-N 3.19Å; L827-L832 PolarHBondContact O-N 2.95Å
828I97.8Very high94.7Very high0 Ų026.2 Ų26.20%013%0.127CC..Iπ-helixtrans-65.6-52.5179.2-66.1164.3000110.4L824 H825 M826 L832 I833 F854 L898 D901 V902 L905L824-I828 HydrophobicContact CG-CD1 4.27Å; L824-I828 WeakPolarHBondContact O-CG1 3.42Å; L824-I828 PolarHBondContact O-N 3.4Å; L824-I828 VanDerWaalsContact O-N 3.07Å; H825-I828 PolarHBondContact O-N 3.29Å; M826-I828 VanDerWaalsContact C-N 3.32Å; M826-I828 PolarHBondContact O-N 3.39Å; I828-L832 PolarHBondContact O-N 2.94Å; I828-I833 HydrophobicContact CG2-CD1 3.91Å; I828-I833 HydrophobicContact CG2-CG1 4.03Å; I828-I833 WeakPolarHBondContact O-CG1 3.46Å; I828-I833 PolarHBondContact O-N 3.43Å; I828-F854 HydrophobicContact CD1-CE1 4.34Å; I828-F854 HydrophobicContact CD1-CZ 3.96Å; I828-F854 HydrophobicContact CG1-CE1 4.14Å; I828-F854 HydrophobicContact CG1-CZ 3.74Å; I828-L898 HydrophobicContact CD1-CD1 3.93Å; I828-D901 HydrophobicContact CB-CB 4.47Å; I828-D901 HydrophobicContact CG2-CB 4.1Å; I828-D901 WeakPolarHBondContact CG2-O 3.21Å; I828-V902 HydrophobicContact CD1-CG2 3.59Å; I828-L905 HydrophobicContact CG2-CB 3.91Å; I828-L905 HydrophobicContact CG2-CD2 4.21Å
829R95.7Very high94.4Very high85 Ų8522.8 Ų22.832%0.32112%0.115SC..Iπ-helixtrans-71.7-44.1-171.8-170.5167.5-177153-2.8112.9H825 M826 P834 D901 D935H825-R829 WeakPolarHBondContact O-CB 3.34Å; H825-R829 PolarHBondContact O-N 3.49Å; M826-R829 PolarHBondContact O-N 2.82Å; R829-P834 VanDerWaalsContact O-CD 3.29Å; R829-P834 WeakPolarHBondContact O-CD 3.35Å; R829-D901 IonicContact NH1-OD1 2.64Å; R829-D935 IonicContact CZ-OD1 3.79Å; R829-D935 IonicContact NE-OD1 3.35Å; R829-D935 IonicContact NH2-OD1 3.83Å; R829-D935 PolarHBondContact NH2-OD1 3.41Å; R829-D935 IonicContact NH2-OD2 3.31Å
830K95.4Very high94.2Very high71 Ų7129.3 Ų29.331%0.30914%0.138SC..Iπ-helixtrans-90.8-20.8-172.5-55.4-166.9179.2-160.70113.7D781 F784 K785 S788 M826D781-K830 WeakPolarHBondContact OD1-CD 3.44Å; D781-K830 WeakPolarHBondContact OD1-CE 3.41Å; D781-K830 IonicContact OD1-NZ 3.36Å; D781-K830 PolarHBondContact OD1-NZ 3.46Å; D781-K830 IonicContact OD2-NZ 3.17Å; F784-K830 HydrophobicContact CB-CB 4.45Å; K785-K830 HydrophobicContact CG-CB 4.47Å; K785-K830 HydrophobicContact CG-CD 4.44Å; S788-K830 VanDerWaalsContact CB-O 3.32Å; S788-K830 WeakPolarHBondContact CB-O 3.34Å; S788-K830 PolarHBondContact OG-O 2.82Å; M826-K830 HydrophobicContact CE-CD 4.42Å; M826-K830 VanDerWaalsContact O-CB 3.26Å; M826-K830 WeakPolarHBondContact O-CB 3.29Å; M826-K830 WeakPolarHBondContact O-CG 3.23Å; M826-K830 PolarHBondContact O-N 3.32Å
831A96.9Very high94Very high0 Ų032.6 Ų32.60%015%0.152CC..Iπ-helixtrans-120.3-60.1178.500000113.8F784 L812 L827 P834 I835F784-A831 HydrophobicContact CB-CB 4.35Å; L812-A831 HydrophobicContact CD1-CB 4.17Å; L812-A831 HydrophobicContact CD2-CB 4.14Å; L827-A831 HydrophobicContact CD1-CB 4.33Å; L827-A831 WeakPolarHBondContact O-CB 3.12Å; L827-A831 PolarHBondContact O-N 3.19Å; A831-P834 WeakPolarHBondContact O-CD 3.44Å; A831-I835 HydrophobicContact CB-CD1 4.46Å; A831-I835 WeakPolarHBondContact O-CB 3.49Å; A831-I835 WeakPolarHBondContact O-CD1 3.48Å; A831-I835 WeakPolarHBondContact O-CG1 3.32Å; A831-I835 PolarHBondContact O-N 3.11Å
832L97.2Very high93.8Very high7 Ų739 Ų394%0.03718%0.181CC..Iπ-helixtrans-69.5-42.9-166-163.259.4000113.4L813 L827 I828 I835 V836 L851 F854 L905L813-L832 HydrophobicContact CD1-CD1 4.43Å; L813-L832 HydrophobicContact CD2-CD1 4.38Å; L813-L832 HydrophobicContact CD2-CD2 4.31Å; L827-L832 PolarHBondContact O-N 2.95Å; I828-L832 PolarHBondContact O-N 2.94Å; L832-I835 PolarHBondContact O-N 3.4Å; L832-V836 VanDerWaalsContact O-CG2 3.3Å; L832-V836 WeakPolarHBondContact O-CG2 3.46Å; L832-V836 PolarHBondContact O-N 2.84Å; L832-L851 HydrophobicContact CD1-CD2 4.24Å; L832-L851 HydrophobicContact CD2-CD2 4.16Å; L832-L851 HydrophobicContact CG-CD2 4.4Å; L832-F854 HydrophobicContact CD2-CD1 3.87Å; L832-F854 HydrophobicContact CD2-CE1 3.71Å; L832-F854 HydrophobicContact CD2-CG 4.49Å; L832-F854 HydrophobicContact CD2-CZ 4.22Å; L832-L905 HydrophobicContact CB-CD1 4.39Å; L832-L905 HydrophobicContact CD2-CD1 4.01Å; L832-L905 HydrophobicContact CD2-CD2 3.52Å; L832-L905 HydrophobicContact CD2-CG 4.42Å; L832-L905 HydrophobicContact CG-CD1 3.85Å; L832-L905 HydrophobicContact CG-CD2 4.3Å
833I96.3Very high93.6Very high24 Ų2438.8 Ų38.812%0.12318%0.181CC..Hα-helixtrans-61.3-52.1176.8-72.1174.8000111.1I828 I835 V836 N837 A904 L905I828-I833 HydrophobicContact CG2-CD1 3.91Å; I828-I833 HydrophobicContact CG2-CG1 4.03Å; I828-I833 WeakPolarHBondContact O-CG1 3.46Å; I828-I833 PolarHBondContact O-N 3.43Å; I833-I835 VanDerWaalsContact C-N 3.34Å; I833-I835 PolarHBondContact O-N 2.81Å; I833-V836 PolarHBondContact O-N 3.41Å; I833-N837 WeakPolarHBondContact CG2-ND2 3.49Å; I833-N837 VanDerWaalsContact O-CB 3.29Å; I833-N837 WeakPolarHBondContact O-CB 3.31Å; I833-N837 VanDerWaalsContact O-CG 3.28Å; I833-N837 PolarHBondContact O-N 3.24Å; I833-N837 PolarHBondContact O-ND2 3.15Å; I833-A904 HydrophobicContact CD1-CB 3.87Å; I833-L905 HydrophobicContact CD1-CB 4.36Å; I833-L905 HydrophobicContact CG1-CB 4.02Å; I833-L905 HydrophobicContact CG1-CD1 4.02Å
834P94.7Very high93.5Very high43 Ų4339 Ų3928%0.27918%0.183SC..Hα-helixtrans-55.1-45.3174.5-2833.4000113.5S788 C792 R829 A831 V836 N837 C838S788-P834 WeakPolarHBondContact OG-CB 3.43Å; C792-P834 PolarHBondContact SG-O 3.25Å; C792-P834 VanDerWaalsContact SG-O 3.42Å; R829-P834 VanDerWaalsContact O-CD 3.29Å; R829-P834 WeakPolarHBondContact O-CD 3.35Å; A831-P834 WeakPolarHBondContact O-CD 3.44Å; P834-V836 PolarHBondContact O-N 3.14Å; P834-N837 CarbonylContact O-C 3.55Å; P834-N837 WeakPolarHBondContact O-CA 3.46Å; P834-N837 PolarHBondContact O-N 3.47Å; P834-C838 WeakPolarHBondContact O-CB 3.48Å; P834-C838 PolarHBondContact O-N 2.78Å; P834-C838 PolarHBondContact O-SG 3.25Å
835I96Very high93.3Very high0 Ų042.2 Ų42.20%021%0.205CC..Hα-helixtrans-58.4-49179-70.6167.6000111.2V791 L808 L812 A831 L832 I833 N837 C838 C839 L847V791-I835 HydrophobicContact CB-CD1 4.33Å; V791-I835 HydrophobicContact CB-CG1 4Å; V791-I835 HydrophobicContact CG1-CG1 4.17Å; V791-I835 HydrophobicContact CG1-CG2 3.9Å; V791-I835 HydrophobicContact CG2-CD1 4.09Å; V791-I835 HydrophobicContact CG2-CG1 4.32Å; L808-I835 HydrophobicContact CD2-CD1 4.22Å; L812-I835 HydrophobicContact CD2-CD1 3.48Å; L812-I835 VanDerWaalsContact CD2-CD1 3.48Å; A831-I835 HydrophobicContact CB-CD1 4.46Å; A831-I835 WeakPolarHBondContact O-CB 3.49Å; A831-I835 WeakPolarHBondContact O-CD1 3.48Å; A831-I835 WeakPolarHBondContact O-CG1 3.32Å; A831-I835 PolarHBondContact O-N 3.11Å; L832-I835 PolarHBondContact O-N 3.4Å; I833-I835 VanDerWaalsContact C-N 3.34Å; I833-I835 PolarHBondContact O-N 2.81Å; I835-N837 PolarHBondContact O-N 3.22Å; I835-C838 PolarHBondContact O-N 2.63Å; I835-C838 PolarHBondContact O-SG 3.09Å; I835-C839 WeakPolarHBondContact O-CB 3.27Å; I835-C839 PolarHBondContact O-N 3.11Å; I835-C839 VanDerWaalsContact O-N 3.09Å; I835-L847 HydrophobicContact CG2-CD2 3.98Å
836V93.9Very high93.3Very high0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-63.9-35.3176.8173.50000110.6L832 I833 P834 L847 L851 L905 S908 V909 R913 L954L832-V836 VanDerWaalsContact O-CG2 3.3Å; L832-V836 WeakPolarHBondContact O-CG2 3.46Å; L832-V836 PolarHBondContact O-N 2.84Å; I833-V836 PolarHBondContact O-N 3.41Å; P834-V836 PolarHBondContact O-N 3.14Å; V836-L847 HydrophobicContact CG2-CD1 4.26Å; V836-L851 HydrophobicContact CG2-CD1 4.44Å; V836-L905 HydrophobicContact CG2-CD1 4.26Å; V836-S908 WeakPolarHBondContact CG1-O 3.17Å; V836-V909 HydrophobicContact CG1-CG2 3.82Å; V836-V909 HydrophobicContact CG2-CG2 4.15Å; V836-R913 PolarHBondContact O-NH1 3.4Å; V836-R913 PolarHBondContact O-NH2 3.4Å; V836-L954 HydrophobicContact CG1-CD2 4.3Å
837N91.2Very high93.3Very high48 Ų4844.1 Ų44.126%0.25721%0.212SC..Hα-helixtrans-73.4-28-179.4-75.1-20.5000114.5I833 P834 I835 S908 R913I833-N837 WeakPolarHBondContact CG2-ND2 3.49Å; I833-N837 VanDerWaalsContact O-CB 3.29Å; I833-N837 WeakPolarHBondContact O-CB 3.31Å; I833-N837 VanDerWaalsContact O-CG 3.28Å; I833-N837 PolarHBondContact O-N 3.24Å; I833-N837 PolarHBondContact O-ND2 3.15Å; P834-N837 CarbonylContact O-C 3.55Å; P834-N837 WeakPolarHBondContact O-CA 3.46Å; P834-N837 PolarHBondContact O-N 3.47Å; I835-N837 PolarHBondContact O-N 3.22Å; N837-S908 WeakPolarHBondContact OD1-CB 3.22Å; N837-R913 VanDerWaalsContact CA-NH1 3.31Å; N837-R913 PolarHBondContact O-NH1 3.1Å; N837-R913 PolarHBondContact OD1-NE 3.4Å; N837-R913 PolarHBondContact OD1-NH2 2.69Å
838C89Confident93.1Very high42 Ų4245.7 Ų45.728%0.28422%0.221SC..Hα-helixtrans-93.1-20.417970.80000113.7C792 P834 I835C792-C838 WeakPolarHBondContact CA-SG 3.38Å; C792-C838 HydrophobicContact CB-CB 3.75Å; C792-C838 WeakPolarHBondContact CB-SG 3.47Å; C792-C838 WeakPolarHBondContact SG-CB 3.46Å; C792-C838 CovalentContact SG-SG 2.06Å; C792-C838 PolarHBondContact SG-SG 3.04Å; P834-C838 WeakPolarHBondContact O-CB 3.48Å; P834-C838 PolarHBondContact O-N 2.78Å; P834-C838 PolarHBondContact O-SG 3.25Å; I835-C838 PolarHBondContact O-N 2.63Å; I835-C838 PolarHBondContact O-SG 3.09Å
839C89.7Confident92.9Very high8 Ų847.8 Ų47.85%0.05424%0.235CC..  trans-65.9133.5-178.6-167.70000112.8I835 Q843 F844 L847I835-C839 WeakPolarHBondContact O-CB 3.27Å; I835-C839 PolarHBondContact O-N 3.11Å; I835-C839 VanDerWaalsContact O-N 3.09Å; C839-Q843 WeakPolarHBondContact SG-CB 3.29Å; C839-F844 HydrophobicContact CB-CD1 4.38Å; C839-F844 HydrophobicContact CB-CE1 4.26Å; C839-L847 HydrophobicContact CB-CD1 3.74Å
840R88.1Confident92.9Very high142 Ų14243.8 Ų43.854%0.53622%0.221SC..  trans-84.9160.6175.2-64.1-175.6177.4-178.8-2.5111.3E842 Q843 F844R840-E842 VanDerWaalsContact C-N 3.28Å; R840-E842 PolarHBondContact O-N 2.98Å; R840-Q843 VanDerWaalsContact N-OE1 3.11Å; R840-Q843 WeakPolarHBondContact O-CA 3.35Å; R840-Q843 WeakPolarHBondContact O-CB 3.25Å; R840-Q843 PolarHBondContact O-N 3.25Å; R840-F844 WeakPolarHBondContact O-CD1 3.32Å; R840-F844 PolarHBondContact O-N 3.29Å
841E87.7Confident92.9Very high125 Ų12540.5 Ų40.558%0.58421%0.206SC*.G310 helixtrans-57.4-39.7-177-173.417117200113.4Q843 F844 P953E841-Q843 PolarHBondContact O-N 2.59Å; E841-Q843 VanDerWaalsContact O-N 3.13Å; E841-F844 HydrophobicContact CB-CD2 4.25Å; E841-F844 HydrophobicContact CB-CE2 3.99Å; E841-F844 HydrophobicContact CB-CZ 4.48Å; E841-F844 HydrophobicContact CG-CD2 3.99Å; E841-F844 HydrophobicContact CG-CE2 3.97Å; E841-F844 WeakPolarHBondContact O-CB 3.43Å; E841-F844 PolarHBondContact O-N 2.76Å; E841-P953 HydrophobicContact CG-CB 4.02Å; E841-P953 HydrophobicContact CG-CG 4.08Å; E841-P953 WeakPolarHBondContact OE1-CB 3.25Å; E841-P953 WeakPolarHBondContact OE1-CG 3.44Å
842E87.3Confident92.8Very high165 Ų16541.1 Ų41.177%0.77121%0.211SC*.G310 helixtrans-59.4-23.5175.9-62.7162-16000113.4R840R840-E842 VanDerWaalsContact C-N 3.28Å; R840-E842 PolarHBondContact O-N 2.98Å
843Q90.8Very high92.6Very high17 Ų1742.8 Ų42.88%0.07922%0.224CC..G310 helixtrans-101-4.4-174.1-62.5162.6-11.900112.4Y799 C839 R840 E841 C845 F846Y799-Q843 HydrophobicContact CD1-CB 4.35Å; Y799-Q843 HydrophobicContact CD2-CB 3.93Å; Y799-Q843 HydrophobicContact CD2-CG 3.66Å; Y799-Q843 HydrophobicContact CE1-CB 4.49Å; Y799-Q843 HydrophobicContact CE2-CB 4.08Å; Y799-Q843 HydrophobicContact CE2-CG 4.2Å; Y799-Q843 VanDerWaalsContact CE2-OE1 3.31Å; Y799-Q843 HydrophobicContact CG-CB 4.07Å; Y799-Q843 HydrophobicContact CG-CG 3.92Å; C839-Q843 WeakPolarHBondContact SG-CB 3.29Å; R840-Q843 VanDerWaalsContact N-OE1 3.11Å; R840-Q843 WeakPolarHBondContact O-CA 3.35Å; R840-Q843 WeakPolarHBondContact O-CB 3.25Å; R840-Q843 PolarHBondContact O-N 3.25Å; E841-Q843 PolarHBondContact O-N 2.59Å; E841-Q843 VanDerWaalsContact O-N 3.13Å; Q843-C845 PolarHBondContact O-N 3.22Å; Q843-C845 VanDerWaalsContact O-N 3.16Å; Q843-F846 HydrophobicContact CB-CD2 4.49Å; Q843-F846 WeakPolarHBondContact O-CB 3.28Å; Q843-F846 WeakPolarHBondContact O-CD2 3.28Å; Q843-F846 PolarHBondContact O-N 3.49Å
844F92.2Very high92.6Very high18 Ų1841.6 Ų41.68%0.07922%0.218CC..THydrogen-bonded Turntrans-59.7-29.6-177.6-73.2-15.1000113.7C839 R840 E841 F846 L847 L848 P953 L954C839-F844 HydrophobicContact CB-CD1 4.38Å; C839-F844 HydrophobicContact CB-CE1 4.26Å; R840-F844 WeakPolarHBondContact O-CD1 3.32Å; R840-F844 PolarHBondContact O-N 3.29Å; E841-F844 HydrophobicContact CB-CD2 4.25Å; E841-F844 HydrophobicContact CB-CE2 3.99Å; E841-F844 HydrophobicContact CB-CZ 4.48Å; E841-F844 HydrophobicContact CG-CD2 3.99Å; E841-F844 HydrophobicContact CG-CE2 3.97Å; E841-F844 WeakPolarHBondContact O-CB 3.43Å; E841-F844 PolarHBondContact O-N 2.76Å; F844-F846 PolarHBondContact O-N 2.96Å; F844-F846 VanDerWaalsContact O-N 3.14Å; F844-L847 PolarHBondContact O-N 2.95Å; F844-L848 PolarHBondContact O-N 3.07Å; F844-P953 HydrophobicContact CD2-CB 4.09Å; F844-P953 HydrophobicContact CE2-CB 3.98Å; F844-P953 HydrophobicContact CE2-CG 4.23Å; F844-L954 HydrophobicContact CB-CB 4.36Å; F844-L954 HydrophobicContact CB-CD1 3.96Å; F844-L954 HydrophobicContact CD1-CB 4.23Å; F844-L954 HydrophobicContact CD1-CD2 4.38Å; F844-L954 HydrophobicContact CD2-CB 3.63Å; F844-L954 HydrophobicContact CE1-CB 4.44Å; F844-L954 HydrophobicContact CE2-CB 3.86Å; F844-L954 HydrophobicContact CG-CB 3.83Å; F844-L954 HydrophobicContact CG-CD1 4.23Å; F844-L954 HydrophobicContact CG-CG 4.46Å; F844-L954 HydrophobicContact CZ-CB 4.26Å
845C91.7Very high92.6Very high73 Ų7339.7 Ų39.749%0.49321%0.205SC..Hα-helixtrans-57-29.7176.462.30000112.9Q843 L847Q843-C845 PolarHBondContact O-N 3.22Å; Q843-C845 VanDerWaalsContact O-N 3.16Å; C845-L847 VanDerWaalsContact C-N 3.34Å
846F94.2Very high92.6Very high55 Ų5541.4 Ų41.424%0.24122%0.216CC..Hα-helixtrans-74.3-23.1177.6-65.1-88000113.1Y799 A804 S805 Q843 F844 P850Y799-F846 HydrophobicContact CD1-CB 3.68Å; Y799-F846 HydrophobicContact CD1-CD1 4.27Å; Y799-F846 AromaticContact CD1-CD2 3.75Å; Y799-F846 HydrophobicContact CD1-CD2 3.75Å; Y799-F846 HydrophobicContact CD1-CE2 4.45Å; Y799-F846 AromaticContact CD1-CG 3.64Å; Y799-F846 HydrophobicContact CD1-CG 3.64Å; Y799-F846 HydrophobicContact CE1-CB 3.78Å; Y799-F846 HydrophobicContact CE1-CG 4.28Å; Y799-F846 HydrophobicContact CG-CD2 4.3Å; Y799-F846 WeakPolarHBondContact O-CE1 3.39Å; Y799-F846 WeakPolarHBondContact O-CZ 3.17Å; A804-F846 HydrophobicContact CB-CD1 4.04Å; A804-F846 HydrophobicContact CB-CE1 4.32Å; S805-F846 WeakPolarHBondContact CB-O 3.32Å; S805-F846 PolarHBondContact OG-O 3.35Å; Q843-F846 HydrophobicContact CB-CD2 4.49Å; Q843-F846 WeakPolarHBondContact O-CB 3.28Å; Q843-F846 WeakPolarHBondContact O-CD2 3.28Å; Q843-F846 PolarHBondContact O-N 3.49Å; F844-F846 PolarHBondContact O-N 2.96Å; F844-F846 VanDerWaalsContact O-N 3.14Å; F846-P850 VanDerWaalsContact O-CD 3.3Å; F846-P850 WeakPolarHBondContact O-CD 3.45Å; F846-P850 WeakPolarHBondContact O-CG 3.37Å
847L95Very high92.6Very high3 Ų344.4 Ų44.42%0.01623%0.23CC..Hα-helixtrans-89.6-17.8179.7-61.8-174.7000113.5L808 I835 V836 C839 F844 C845 P850 L851 L954L808-L847 HydrophobicContact CD1-CD2 3.63Å; I835-L847 HydrophobicContact CG2-CD2 3.98Å; V836-L847 HydrophobicContact CG2-CD1 4.26Å; C839-L847 HydrophobicContact CB-CD1 3.74Å; F844-L847 PolarHBondContact O-N 2.95Å; C845-L847 VanDerWaalsContact C-N 3.34Å; L847-P850 WeakPolarHBondContact O-CD 3.44Å; L847-L851 HydrophobicContact CB-CD1 4.11Å; L847-L851 WeakPolarHBondContact O-CB 3.34Å; L847-L851 VanDerWaalsContact O-CG 3.31Å; L847-L851 WeakPolarHBondContact O-CG 3.36Å; L847-L851 PolarHBondContact O-N 3.26Å; L847-L954 HydrophobicContact CB-CD1 4.36Å; L847-L954 HydrophobicContact CD1-CD2 4.32Å
848L94.4Very high92.8Very high34 Ų3442.2 Ų42.218%0.17822%0.219CC..Hα-helixtrans-58.7-54.4-176.5-66.9177.6000112.7F844 L851 A852 L954 Q957 L958F844-L848 PolarHBondContact O-N 3.07Å; L848-L851 PolarHBondContact O-N 2.92Å; L848-A852 WeakPolarHBondContact O-CB 3.47Å; L848-A852 PolarHBondContact O-N 3.12Å; L848-L954 HydrophobicContact CD2-CD1 3.75Å; L848-Q957 HydrophobicContact CD1-CB 4.32Å; L848-Q957 HydrophobicContact CD2-CB 3.64Å; L848-L958 HydrophobicContact CD2-CD2 3.96Å; L848-L958 HydrophobicContact CD2-CG 3.97Å
849S93.8Very high93.2Very high43 Ų4343 Ų4330%0.30122%0.216SC..Hα-helixtrans-64.1-46.2-178.4-179.70000113R809 S853R809-S849 WeakPolarHBondContact CD-OG 3.41Å; R809-S849 PolarHBondContact NH1-OG 3.42Å; S849-S853 PolarHBondContact O-N 3.08Å; S849-S853 PolarHBondContact O-OG 3.36Å
850P95.4Very high93.4Very high2 Ų248.7 Ų48.71%0.01324%0.242CC..Hα-helixtrans-54.5-53.9172.9-24.229.2000113L808 R809 L813 F846 L847 A852 S853 F854L808-P850 HydrophobicContact CB-CB 4.22Å; L808-P850 HydrophobicContact CB-CG 3.71Å; R809-P850 HydrophobicContact CB-CB 4.28Å; R809-P850 HydrophobicContact CB-CG 4.04Å; L813-P850 HydrophobicContact CD1-CB 3.78Å; F846-P850 VanDerWaalsContact O-CD 3.3Å; F846-P850 WeakPolarHBondContact O-CD 3.45Å; F846-P850 WeakPolarHBondContact O-CG 3.37Å; L847-P850 WeakPolarHBondContact O-CD 3.44Å; P850-A852 PolarHBondContact O-N 3.11Å; P850-S853 PolarHBondContact O-N 2.76Å; P850-S853 PolarHBondContact O-OG 3.19Å; P850-F854 PolarHBondContact O-N 2.69Å
851L96Very high93.7Very high1 Ų144.8 Ų44.81%0.00523%0.227CC..Hα-helixtrans-67.2-38.8-176.3-68.3175.3000112.7L832 V836 L847 L848 S853 F854 F855 V909 L954 L958L832-L851 HydrophobicContact CD1-CD2 4.24Å; L832-L851 HydrophobicContact CD2-CD2 4.16Å; L832-L851 HydrophobicContact CG-CD2 4.4Å; V836-L851 HydrophobicContact CG2-CD1 4.44Å; L847-L851 HydrophobicContact CB-CD1 4.11Å; L847-L851 WeakPolarHBondContact O-CB 3.34Å; L847-L851 VanDerWaalsContact O-CG 3.31Å; L847-L851 WeakPolarHBondContact O-CG 3.36Å; L847-L851 PolarHBondContact O-N 3.26Å; L848-L851 PolarHBondContact O-N 2.92Å; L851-S853 PolarHBondContact O-N 3.38Å; L851-F854 PolarHBondContact O-N 2.93Å; L851-F854 VanDerWaalsContact O-N 3.11Å; L851-F855 HydrophobicContact CB-CD2 4.31Å; L851-F855 HydrophobicContact CB-CE2 3.96Å; L851-F855 HydrophobicContact CD2-CE2 4.2Å; L851-F855 HydrophobicContact CD2-CZ 4.4Å; L851-F855 VanDerWaalsContact O-CD2 3.22Å; L851-F855 WeakPolarHBondContact O-CD2 3.39Å; L851-F855 PolarHBondContact O-N 3.4Å; L851-F855 VanDerWaalsContact O-N 3.13Å; L851-V909 HydrophobicContact CD1-CG1 4.38Å; L851-V909 HydrophobicContact CD1-CG2 3.97Å; L851-L954 HydrophobicContact CD1-CD2 4.02Å; L851-L958 HydrophobicContact CB-CD1 4.38Å; L851-L958 HydrophobicContact CB-CD2 4.17Å; L851-L958 HydrophobicContact CD1-CD1 4.09Å
852A94.4Very high94Very high13 Ų1339 Ų3911%0.10720%0.2CC..Hα-helixtrans-60.2-34.2175.700000112.4L848 P850 P856 L963 S965L848-A852 WeakPolarHBondContact O-CB 3.47Å; L848-A852 PolarHBondContact O-N 3.12Å; P850-A852 PolarHBondContact O-N 3.11Å; A852-P856 WeakPolarHBondContact O-CD 3.4Å; A852-P856 WeakPolarHBondContact O-CG 3.37Å; A852-L963 HydrophobicContact CB-CD2 4.1Å; A852-S965 WeakPolarHBondContact CA-OG 3.27Å; A852-S965 VanDerWaalsContact CB-OG 3.29Å; A852-S965 WeakPolarHBondContact CB-OG 3.19Å; A852-S965 WeakPolarHBondContact O-CB 3.25Å; A852-S965 PolarHBondContact O-OG 2.9Å
853S92.5Very high94.3Very high42 Ų4232.2 Ų32.229%0.29417%0.171SC..Hα-helixtrans-78.2-25.5175.469.90000113.9S849 P850 L851 H857S849-S853 PolarHBondContact O-N 3.08Å; S849-S853 PolarHBondContact O-OG 3.36Å; P850-S853 PolarHBondContact O-N 2.76Å; P850-S853 PolarHBondContact O-OG 3.19Å; L851-S853 PolarHBondContact O-N 3.38Å; S853-H857 PolarHBondContact O-ND1 3.37Å; S853-H857 VanDerWaalsContact O-ND1 3.12Å
854F95.7Very high94.3Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-83.6-49.1-172.6-175.1-111.4000113.3L813 H816 L824 I828 L832 P850 L851 P856 H857 C858 L905L813-F854 HydrophobicContact CD1-CB 4.17Å; L813-F854 HydrophobicContact CD1-CD2 4.42Å; L813-F854 HydrophobicContact CD1-CG 4.41Å; L813-F854 HydrophobicContact CD2-CD2 4.16Å; L813-F854 HydrophobicContact CD2-CE2 4.31Å; H816-F854 HydrophobicContact CB-CE2 4.46Å; H816-F854 AromaticContact CD2-CD2 3.66Å; H816-F854 AromaticContact CD2-CE2 3.85Å; H816-F854 AromaticContact NE2-CD2 3.87Å; L824-F854 HydrophobicContact CD1-CE2 3.89Å; L824-F854 HydrophobicContact CD1-CZ 4.03Å; I828-F854 HydrophobicContact CD1-CE1 4.34Å; I828-F854 HydrophobicContact CD1-CZ 3.96Å; I828-F854 HydrophobicContact CG1-CE1 4.14Å; I828-F854 HydrophobicContact CG1-CZ 3.74Å; L832-F854 HydrophobicContact CD2-CD1 3.87Å; L832-F854 HydrophobicContact CD2-CE1 3.71Å; L832-F854 HydrophobicContact CD2-CG 4.49Å; L832-F854 HydrophobicContact CD2-CZ 4.22Å; P850-F854 PolarHBondContact O-N 2.69Å; L851-F854 PolarHBondContact O-N 2.93Å; L851-F854 VanDerWaalsContact O-N 3.11Å; F854-P856 VanDerWaalsContact C-CD 3.48Å; F854-H857 WeakPolarHBondContact O-CB 3.33Å; F854-H857 PolarHBondContact O-N 2.98Å; F854-C858 WeakPolarHBondContact CE1-SG 3.29Å; F854-C858 VanDerWaalsContact CZ-SG 3.53Å; F854-C858 PolarHBondContact O-N 3.25Å; F854-C858 VanDerWaalsContact O-N 3.17Å; F854-L905 HydrophobicContact CD1-CD2 4.11Å; F854-L905 HydrophobicContact CE1-CD2 3.68Å
855F95.7Very high94.2Very high2 Ų235.2 Ų35.21%0.00919%0.191CC..Hα-helixtrans-59.4-36-175.4-71.9-58.6000115.2L851 H857 C858 Y859 L905 L906 V909 L958 L969 L972L851-F855 HydrophobicContact CB-CD2 4.31Å; L851-F855 HydrophobicContact CB-CE2 3.96Å; L851-F855 HydrophobicContact CD2-CE2 4.2Å; L851-F855 HydrophobicContact CD2-CZ 4.4Å; L851-F855 VanDerWaalsContact O-CD2 3.22Å; L851-F855 WeakPolarHBondContact O-CD2 3.39Å; L851-F855 PolarHBondContact O-N 3.4Å; L851-F855 VanDerWaalsContact O-N 3.13Å; F855-H857 VanDerWaalsContact C-N 3.28Å; F855-H857 PolarHBondContact O-N 2.97Å; F855-C858 PolarHBondContact O-N 2.84Å; F855-Y859 PolarHBondContact O-N 2.72Å; F855-L905 HydrophobicContact CE1-CD2 3.96Å; F855-L905 HydrophobicContact CE1-CG 4.33Å; F855-L905 HydrophobicContact CZ-CD2 4.22Å; F855-L905 HydrophobicContact CZ-CG 4.31Å; F855-L906 HydrophobicContact CD1-CD2 4.08Å; F855-L906 HydrophobicContact CE1-CD2 3.58Å; F855-L906 HydrophobicContact CE1-CG 4.15Å; F855-L906 HydrophobicContact CZ-CD2 3.97Å; F855-V909 HydrophobicContact CZ-CG2 4.21Å; F855-L958 HydrophobicContact CE2-CD1 4.39Å; F855-L969 HydrophobicContact CB-CB 4.37Å; F855-L969 HydrophobicContact CD2-CD1 3.76Å; F855-L969 HydrophobicContact CD2-CG 4.45Å; F855-L969 HydrophobicContact CE2-CD1 3.86Å; F855-L969 HydrophobicContact CG-CD1 4.35Å; F855-L972 HydrophobicContact CD1-CD2 3.9Å
856P95.3Very high94Very high36 Ų3632 Ų3223%0.23417%0.168CC..Hα-helixtrans-56.6-40.1172.6-27.736.7000113.5A852 F854 Y859 Q860A852-P856 WeakPolarHBondContact O-CD 3.4Å; A852-P856 WeakPolarHBondContact O-CG 3.37Å; F854-P856 VanDerWaalsContact C-CD 3.48Å; P856-Y859 PolarHBondContact O-N 3.32Å; P856-Q860 WeakPolarHBondContact O-CB 3.22Å; P856-Q860 PolarHBondContact O-N 2.91Å
857H95Very high93.7Very high63 Ų6334.8 Ų34.829%0.29218%0.182SC..Hα-helixtrans-70-40.7177.1-72.485.7000111.7H816 Q817 S853 F854 F855 Y859 Q860 R861H816-H857 AromaticContact CE1-ND1 3.88Å; H816-H857 WeakPolarHBondContact NE2-CB 3.47Å; H816-H857 AromaticContact NE2-CD2 3.97Å; H816-H857 AromaticContact NE2-CG 3.3Å; H816-H857 VanDerWaalsContact NE2-CG 3.3Å; H816-H857 AromaticContact NE2-ND1 3.39Å; H816-H857 PolarHBondContact NE2-ND1 3.3Å; Q817-H857 PolarHBondContact OE1-NE2 3.06Å; S853-H857 PolarHBondContact O-ND1 3.37Å; S853-H857 VanDerWaalsContact O-ND1 3.12Å; F854-H857 WeakPolarHBondContact O-CB 3.33Å; F854-H857 PolarHBondContact O-N 2.98Å; F855-H857 VanDerWaalsContact C-N 3.28Å; F855-H857 PolarHBondContact O-N 2.97Å; H857-Y859 VanDerWaalsContact C-N 3.32Å; H857-Y859 PolarHBondContact O-N 2.66Å; H857-Q860 PolarHBondContact O-N 3.45Å; H857-R861 WeakPolarHBondContact O-CB 3.33Å; H857-R861 PolarHBondContact O-N 3.13Å
858C95.8Very high93.1Very high3 Ų338.8 Ų38.82%0.0220%0.203CC..Hα-helixtrans-59.2-44173.6-65.80000111.8F854 F855 L862 V902 L972F854-C858 WeakPolarHBondContact CE1-SG 3.29Å; F854-C858 VanDerWaalsContact CZ-SG 3.53Å; F854-C858 PolarHBondContact O-N 3.25Å; F854-C858 VanDerWaalsContact O-N 3.17Å; F855-C858 PolarHBondContact O-N 2.84Å; C858-L862 WeakPolarHBondContact O-CB 3.25Å; C858-L862 WeakPolarHBondContact O-CG 3.37Å; C858-L862 PolarHBondContact O-N 3.39Å; C858-V902 HydrophobicContact CB-CG1 4.21Å; C858-L972 HydrophobicContact CB-CD2 3.9Å
859Y95.6Very high92.3Very high58 Ų5838.1 Ų38.123%0.22720%0.2CC..Hα-helixtrans-60.6-54.9176.7177.4-121.8000111.6F855 P856 H857 R861 L862 S863 L971 L972 H975F855-Y859 PolarHBondContact O-N 2.72Å; P856-Y859 PolarHBondContact O-N 3.32Å; H857-Y859 VanDerWaalsContact C-N 3.32Å; H857-Y859 PolarHBondContact O-N 2.66Å; Y859-R861 VanDerWaalsContact C-N 3.3Å; Y859-R861 PolarHBondContact O-N 3.39Å; Y859-L862 PolarHBondContact O-N 3.35Å; Y859-S863 WeakPolarHBondContact O-CB 3.13Å; Y859-S863 PolarHBondContact O-N 3.46Å; Y859-S863 PolarHBondContact O-OG 3.12Å; Y859-L971 HydrophobicContact CD1-CB 4.44Å; Y859-L971 HydrophobicContact CD2-CB 4.02Å; Y859-L971 HydrophobicContact CE1-CB 4.03Å; Y859-L971 HydrophobicContact CE1-CD1 3.85Å; Y859-L971 HydrophobicContact CE2-CB 3.58Å; Y859-L971 HydrophobicContact CG-CB 4.43Å; Y859-L972 HydrophobicContact CD2-CB 4.08Å; Y859-L972 HydrophobicContact CG-CB 4.44Å; Y859-H975 HydrophobicContact CE2-CB 4.39Å
860Q95.2Very high91.5Very high127 Ų12739.7 Ų39.759%0.59320%0.202SC*.Hα-helixtrans-57-47.4-179.1-173.4178.8-0.500110.7P856 H857 S863 T864P856-Q860 WeakPolarHBondContact O-CB 3.22Å; P856-Q860 PolarHBondContact O-N 2.91Å; H857-Q860 PolarHBondContact O-N 3.45Å; Q860-S863 PolarHBondContact O-OG 3.32Å; Q860-T864 WeakPolarHBondContact O-CB 3.3Å; Q860-T864 PolarHBondContact O-N 3.45Å; Q860-T864 VanDerWaalsContact O-N 3.11Å; Q860-T864 PolarHBondContact O-OG1 3.12Å
861R94Very high90.6Very high60 Ų6044.1 Ų44.123%0.22622%0.222CC..Hα-helixtrans-64.3-52.7-177.8-169.8167.6-172.7139.80.5112.9Q817 C819 D821 H857 Y859 T864 I865Q817-R861 PolarHBondContact O-NH1 3.06Å; C819-R861 PolarHBondContact O-NH1 3.23Å; C819-R861 PolarHBondContact O-NH2 2.66Å; D821-R861 IonicContact OD1-CZ 2.78Å; D821-R861 IonicContact OD1-NE 2.78Å; D821-R861 PolarHBondContact OD1-NE 3.45Å; D821-R861 IonicContact OD1-NH2 3.97Å; D821-R861 PolarHBondContact OD1-NH2 3.34Å; D821-R861 IonicContact OD2-NH2 2.83Å; H857-R861 WeakPolarHBondContact O-CB 3.33Å; H857-R861 PolarHBondContact O-N 3.13Å; Y859-R861 VanDerWaalsContact C-N 3.3Å; Y859-R861 PolarHBondContact O-N 3.39Å; R861-T864 PolarHBondContact O-N 3.38Å; R861-I865 HydrophobicContact CG-CD1 3.93Å; R861-I865 VanDerWaalsContact O-CG1 3.27Å; R861-I865 WeakPolarHBondContact O-CG1 3.4Å; R861-I865 PolarHBondContact O-N 2.92Å
862L93.9Very high89.3Confident3 Ų347.5 Ų47.52%0.01624%0.24CC..Hα-helixtrans-68-38-178.2-70.4-178.1000112.2C858 Y859 T864 I865 W866 L898 T899 V902 L972 M976C858-L862 WeakPolarHBondContact O-CB 3.25Å; C858-L862 WeakPolarHBondContact O-CG 3.37Å; C858-L862 PolarHBondContact O-N 3.39Å; Y859-L862 PolarHBondContact O-N 3.35Å; L862-T864 PolarHBondContact O-N 2.76Å; L862-I865 PolarHBondContact O-N 3.1Å; L862-W866 VanDerWaalsContact O-CD1 3.27Å; L862-W866 PolarHBondContact O-N 3.27Å; L862-L898 HydrophobicContact CD2-CD2 3.89Å; L862-L898 HydrophobicContact CD2-CG 4.06Å; L862-T899 HydrophobicContact CD1-CG2 4.41Å; L862-V902 HydrophobicContact CD1-CB 4.15Å; L862-V902 HydrophobicContact CD1-CG1 4.25Å; L862-V902 HydrophobicContact CD1-CG2 4.08Å; L862-L972 HydrophobicContact CD1-CD1 3.93Å; L862-M976 HydrophobicContact CD1-CE 4.01Å
863S92.6Very high87.8Confident24 Ų2450.6 Ų50.617%0.16826%0.258CS..Hα-helixtrans-62.7-41.9176.965.80000112.1Y859 Q860 Q867Y859-S863 WeakPolarHBondContact O-CB 3.13Å; Y859-S863 PolarHBondContact O-N 3.46Å; Y859-S863 PolarHBondContact O-OG 3.12Å; Q860-S863 PolarHBondContact O-OG 3.32Å; S863-Q867 WeakPolarHBondContact O-CB 3.35Å; S863-Q867 PolarHBondContact O-N 3.11Å
864T92.3Very high85.9Confident69 Ų6955.3 Ų55.342%0.42328%0.28SS..Hα-helixtrans-66.5-44.5175.3-58.90000112.1Q860 R861 L862 Q867 L868Q860-T864 WeakPolarHBondContact O-CB 3.3Å; Q860-T864 PolarHBondContact O-N 3.45Å; Q860-T864 VanDerWaalsContact O-N 3.11Å; Q860-T864 PolarHBondContact O-OG1 3.12Å; R861-T864 PolarHBondContact O-N 3.38Å; L862-T864 PolarHBondContact O-N 2.76Å; T864-Q867 PolarHBondContact O-N 3.01Å; T864-L868 HydrophobicContact CG2-CD1 4.06Å; T864-L868 WeakPolarHBondContact O-CG 3.5Å; T864-L868 PolarHBondContact O-N 3.04Å
865I89.5Confident84Confident29 Ų2962 Ų6215%0.14931%0.311CS..Hα-helixtrans-58.2-54.5178.9-73.5168000110.3R861 L862 Q867 L868 T869 S895R861-I865 HydrophobicContact CG-CD1 3.93Å; R861-I865 VanDerWaalsContact O-CG1 3.27Å; R861-I865 WeakPolarHBondContact O-CG1 3.4Å; R861-I865 PolarHBondContact O-N 2.92Å; L862-I865 PolarHBondContact O-N 3.1Å; I865-Q867 VanDerWaalsContact C-N 3.33Å; I865-Q867 PolarHBondContact O-N 3Å; I865-L868 PolarHBondContact O-N 2.66Å; I865-T869 PolarHBondContact O-N 3.39Å; I865-T869 PolarHBondContact O-OG1 2.78Å; I865-S895 WeakPolarHBondContact CG2-OG 3.3Å
866W88.2Confident81.8Confident4 Ų464.5 Ų64.52%0.01533%0.327CS..Hα-helixtrans-67.1-35.4-177.3-75.7115.5000112.3L862 L868 T869 F870 T899 C979 P980L862-W866 VanDerWaalsContact O-CD1 3.27Å; L862-W866 PolarHBondContact O-N 3.27Å; W866-L868 VanDerWaalsContact C-N 3.34Å; W866-L868 PolarHBondContact O-N 2.95Å; W866-T869 HydrophobicContact CE3-CG2 4.23Å; W866-T869 HydrophobicContact CZ3-CG2 4.15Å; W866-T869 PolarHBondContact O-N 3.08Å; W866-F870 HydrophobicContact CB-CD2 4.4Å; W866-F870 HydrophobicContact CB-CE2 4Å; W866-F870 WeakPolarHBondContact O-CD2 3.39Å; W866-F870 WeakPolarHBondContact O-CG 3.32Å; W866-F870 PolarHBondContact O-N 3.08Å; W866-T899 PolarHBondContact NE1-OG1 3.22Å; W866-C979 VanDerWaalsContact CD1-SG 3.6Å; W866-P980 HydrophobicContact CE3-CG 4.09Å; W866-P980 HydrophobicContact CH2-CG 4.27Å; W866-P980 VanDerWaalsContact CZ3-CD 3.41Å; W866-P980 HydrophobicContact CZ3-CG 3.65Å
867Q86.4Confident79.7Confident114 Ų11469.8 Ų69.853%0.53335%0.352SS..Hα-helixtrans-58.8-45.5173.3-174.2-179.4-12.800111.7S863 T864 I865 F870 E871S863-Q867 WeakPolarHBondContact O-CB 3.35Å; S863-Q867 PolarHBondContact O-N 3.11Å; T864-Q867 PolarHBondContact O-N 3.01Å; I865-Q867 VanDerWaalsContact C-N 3.33Å; I865-Q867 PolarHBondContact O-N 3Å; Q867-F870 PolarHBondContact O-N 3.02Å; Q867-E871 WeakPolarHBondContact CG-OE1 3.32Å; Q867-E871 PolarHBondContact NE2-OE1 2.93Å; Q867-E871 WeakPolarHBondContact O-CG 3.49Å; Q867-E871 PolarHBondContact O-N 3.26Å
868L82.9Confident77.4Confident87 Ų8775 Ų7546%0.45538%0.376SS..Hα-helixtrans-65-40.7177.2-71168.5000112.2T864 I865 W866 F870 E871 N872T864-L868 HydrophobicContact CG2-CD1 4.06Å; T864-L868 WeakPolarHBondContact O-CG 3.5Å; T864-L868 PolarHBondContact O-N 3.04Å; I865-L868 PolarHBondContact O-N 2.66Å; W866-L868 VanDerWaalsContact C-N 3.34Å; W866-L868 PolarHBondContact O-N 2.95Å; L868-F870 VanDerWaalsContact C-N 3.35Å; L868-F870 PolarHBondContact O-N 2.89Å; L868-E871 PolarHBondContact O-N 3.41Å; L868-N872 PolarHBondContact O-N 3.35Å
869T78.7Confident75.1Confident20 Ų2080.9 Ų80.912%0.12341%0.408CS..Hα-helixtrans-60.5-44.3175.9-59.80000111.4I865 W866 N872 T873 D892I865-T869 PolarHBondContact O-N 3.39Å; I865-T869 PolarHBondContact O-OG1 2.78Å; W866-T869 HydrophobicContact CE3-CG2 4.23Å; W866-T869 HydrophobicContact CZ3-CG2 4.15Å; W866-T869 PolarHBondContact O-N 3.08Å; T869-N872 PolarHBondContact O-N 2.96Å; T869-T873 PolarHBondContact O-N 3.5Å; T869-T873 PolarHBondContact O-OG1 2.86Å; T869-D892 WeakPolarHBondContact CG2-OD1 3.23Å
870F76.9Confident73.1Confident77 Ų7784.2 Ų84.234%0.33844%0.439SS..Hα-helixtrans-64.6-39.6176.8-67.5-55.8000112.4W866 Q867 L868 N872 P980W866-F870 HydrophobicContact CB-CD2 4.4Å; W866-F870 HydrophobicContact CB-CE2 4Å; W866-F870 WeakPolarHBondContact O-CD2 3.39Å; W866-F870 WeakPolarHBondContact O-CG 3.32Å; W866-F870 PolarHBondContact O-N 3.08Å; Q867-F870 PolarHBondContact O-N 3.02Å; L868-F870 VanDerWaalsContact C-N 3.35Å; L868-F870 PolarHBondContact O-N 2.89Å; F870-N872 VanDerWaalsContact C-N 3.34Å; F870-N872 PolarHBondContact O-N 3.42Å; F870-P980 HydrophobicContact CE1-CG 3.83Å; F870-P980 HydrophobicContact CZ-CG 4Å
871E75.3Confident71.2Confident95 Ų9582.5 Ų82.544%0.44443%0.434SS..Hα-helixtrans-66-34.3176.9-73173.7-166.900112.7Q867 L868Q867-E871 WeakPolarHBondContact CG-OE1 3.32Å; Q867-E871 PolarHBondContact NE2-OE1 2.93Å; Q867-E871 WeakPolarHBondContact O-CG 3.49Å; Q867-E871 PolarHBondContact O-N 3.26Å; L868-E871 PolarHBondContact O-N 3.41Å
872N69.3Low69.7Low71 Ų7181.9 Ų81.938%0.3845%0.447SS..Hα-helixtrans-78.2-33.2179.7-72-14.3000113.2L868 T869 F870 D874 Q875 T876L868-N872 PolarHBondContact O-N 3.35Å; T869-N872 PolarHBondContact O-N 2.96Å; F870-N872 VanDerWaalsContact C-N 3.34Å; F870-N872 PolarHBondContact O-N 3.42Å; N872-D874 PolarHBondContact O-N 3.48Å; N872-Q875 PolarHBondContact O-N 2.97Å; N872-T876 WeakPolarHBondContact O-CG2 3.26Å; N872-T876 PolarHBondContact O-N 3.35Å; N872-T876 VanDerWaalsContact O-N 3.11Å; N872-T876 PolarHBondContact O-OG1 2.85Å
873T62.4Low68.2Low78 Ų7885.8 Ų85.848%0.47947%0.471SS..Hα-helixtrans-59.7-31.2-180-50.40000111.8T869 Q875 T876T869-T873 PolarHBondContact O-N 3.5Å; T869-T873 PolarHBondContact O-OG1 2.86Å; T873-Q875 VanDerWaalsContact C-N 3.32Å; T873-T876 PolarHBondContact O-OG1 2.6Å
874D54Low67.1Low141 Ų14188.4 Ų88.475%0.75448%0.483SS*.THydrogen-bonded Turntrans-74.1-19.2175.6-81.5-17.6000113.3N872N872-D874 PolarHBondContact O-N 3.48Å
875Q55.1Low66.1Low140 Ų14088.4 Ų88.465%0.65448%0.482SS*.THydrogen-bonded Turntrans-96.6-29.5-178.7-65.9-176.417.500113.3N872 T873 L877N872-Q875 PolarHBondContact O-N 2.97Å; T873-Q875 VanDerWaalsContact C-N 3.32Å; Q875-L877 PolarHBondContact O-N 3.3Å; Q875-L877 VanDerWaalsContact O-N 3.12Å
876T49.6Very low65.3Low55 Ų5593.3 Ų93.334%0.33751%0.505SS..G310 helixtrans-71.8-2.9-170.843.70000115.5N872 T873 H878 E888N872-T876 WeakPolarHBondContact O-CG2 3.26Å; N872-T876 PolarHBondContact O-N 3.35Å; N872-T876 VanDerWaalsContact O-N 3.11Å; N872-T876 PolarHBondContact O-OG1 2.85Å; T873-T876 PolarHBondContact O-OG1 2.6Å; T876-H878 PolarHBondContact O-N 3.42Å; T876-E888 WeakPolarHBondContact CG2-OE1 3.19Å; T876-E888 WeakPolarHBondContact CG2-OE2 3.32Å
877L50.7Low64.9Low147 Ų14799 Ų9977%0.7753%0.531SS*.G310 helixtrans-66.1-1.4174.8-75.9164.3000114.1Q875Q875-L877 PolarHBondContact O-N 3.3Å; Q875-L877 VanDerWaalsContact O-N 3.12Å
878H46.9Very low64.5Low172 Ų17297.1 Ų97.180%0.79652%0.522SS*.G310 helixtrans-124.3-5.2-172.4-75.7-51.3000117.9T876T876-H878 PolarHBondContact O-N 3.42Å
879D48.3Very low64.6Low128 Ų12897.7 Ų97.768%0.68452%0.524SS*.  trans-108.4135.4-175.3-82.7-27.6000114.3
880S53.7Low65Low127 Ų12798.5 Ų98.589%0.88853%0.526SS*.  trans-106.19.8-173.157.50000114.7G882S880-G882 PolarHBondContact O-N 3.46Å
881D55.6Low65.5Low91 Ų9199.4 Ų99.449%0.48753%0.534SS..  trans-90.2106.1-176.3-156.7-23.5000111.8T883 L884D881-T883 PolarHBondContact O-N 3.26Å; D881-T883 VanDerWaalsContact O-N 3.09Å; D881-T883 PolarHBondContact OD1-OG1 3.33Å; D881-T883 VanDerWaalsContact OD1-OG1 3.13Å; D881-L884 HydrophobicContact CB-CD1 4.26Å; D881-L884 PolarHBondContact O-N 2.99Å; D881-L884 VanDerWaalsContact O-N 3.16Å
882G61.1Low66Low48 Ų4897.9 Ų97.950%0.49553%0.529SS..Hα-helixtrans-61.2-20.6-173.400000115.3S880 E886S880-G882 PolarHBondContact O-N 3.46Å; G882-E886 PolarHBondContact O-N 2.91Å
883T63.6Low66.9Low84 Ų8497.4 Ų97.452%0.51553%0.526SS..Hα-helixtrans-75.4-30.3177.549.90000113.8D881 Q887D881-T883 PolarHBondContact O-N 3.26Å; D881-T883 VanDerWaalsContact O-N 3.09Å; D881-T883 PolarHBondContact OD1-OG1 3.33Å; D881-T883 VanDerWaalsContact OD1-OG1 3.13Å; T883-Q887 WeakPolarHBondContact O-CG 3.43Å; T883-Q887 PolarHBondContact O-N 3.26Å
884L68.7Low68.3Low80 Ų8094.1 Ų94.142%0.41951%0.506SS..Hα-helixtrans-70.6-41.4174.1-72.7169.8000110.3D881 E886 Q887 E888D881-L884 HydrophobicContact CB-CD1 4.26Å; D881-L884 PolarHBondContact O-N 2.99Å; D881-L884 VanDerWaalsContact O-N 3.16Å; L884-E886 PolarHBondContact O-N 2.92Å; L884-Q887 PolarHBondContact O-N 2.94Å; L884-Q887 VanDerWaalsContact O-N 3.09Å; L884-E888 PolarHBondContact O-N 3.19Å
885V71.2Confident70.1Confident68 Ų6887.7 Ų87.741%0.41247%0.472SS..Hα-helixtrans-58.5-45177.6-179.10000111.7Q887 E888 M889V885-Q887 VanDerWaalsContact C-N 3.3Å; V885-Q887 PolarHBondContact O-N 3.36Å; V885-E888 PolarHBondContact O-N 2.87Å; V885-M889 HydrophobicContact CG1-CG 4.39Å; V885-M889 HydrophobicContact CG1-SD 4.23Å; V885-M889 WeakPolarHBondContact O-CB 3.38Å; V885-M889 VanDerWaalsContact O-CG 3.29Å; V885-M889 WeakPolarHBondContact O-CG 3.47Å; V885-M889 PolarHBondContact O-N 3.45Å
886E73.7Confident71.9Confident133 Ų13382 Ų8262%0.62145%0.447SS*.Hα-helixtrans-62-37176.5-77.8-172.7170.800112.7G882 L884 F890G882-E886 PolarHBondContact O-N 2.91Å; L884-E886 PolarHBondContact O-N 2.92Å; E886-F890 WeakPolarHBondContact O-CB 3.49Å; E886-F890 PolarHBondContact O-N 3.03Å
887Q78.8Confident74Confident123 Ų12381.2 Ų81.258%0.57544%0.44SS*.Hα-helixtrans-70.7-42.5178-71.8179.914.100111.9T883 L884 V885 F890 L891T883-Q887 WeakPolarHBondContact O-CG 3.43Å; T883-Q887 PolarHBondContact O-N 3.26Å; L884-Q887 PolarHBondContact O-N 2.94Å; L884-Q887 VanDerWaalsContact O-N 3.09Å; V885-Q887 VanDerWaalsContact C-N 3.3Å; V885-Q887 PolarHBondContact O-N 3.36Å; Q887-F890 WeakPolarHBondContact O-CB 3.38Å; Q887-F890 PolarHBondContact O-N 2.9Å; Q887-L891 WeakPolarHBondContact O-CG 3.34Å; Q887-L891 PolarHBondContact O-N 2.87Å
888E79.2Confident76.1Confident74 Ų7474.3 Ų74.335%0.34640%0.404SS..Hα-helixtrans-62.7-47175.2-73.5-179.1167.500111T876 L884 V885 F890 L891 D892T876-E888 WeakPolarHBondContact CG2-OE1 3.19Å; T876-E888 WeakPolarHBondContact CG2-OE2 3.32Å; L884-E888 PolarHBondContact O-N 3.19Å; V885-E888 PolarHBondContact O-N 2.87Å; E888-F890 VanDerWaalsContact C-N 3.28Å; E888-F890 PolarHBondContact O-N 2.64Å; E888-L891 PolarHBondContact O-N 2.73Å; E888-L891 VanDerWaalsContact O-N 3.13Å; E888-D892 PolarHBondContact O-N 2.78Å
889M83.4Confident78.4Confident100 Ų10066.1 Ų66.149%0.49337%0.366SS..Hα-helixtrans-58.3-40.3174.8-74.4-174.667.800112.4M747 V885 D892 N893M747-M889 HydrophobicContact CE-CB 3.94Å; M747-M889 HydrophobicContact CE-CE 4.5Å; V885-M889 HydrophobicContact CG1-CG 4.39Å; V885-M889 HydrophobicContact CG1-SD 4.23Å; V885-M889 WeakPolarHBondContact O-CB 3.38Å; V885-M889 VanDerWaalsContact O-CG 3.29Å; V885-M889 WeakPolarHBondContact O-CG 3.47Å; V885-M889 PolarHBondContact O-N 3.45Å; M889-D892 PolarHBondContact O-N 3.25Å; M889-N893 WeakPolarHBondContact O-CB 3.36Å; M889-N893 VanDerWaalsContact O-CG 3.31Å; M889-N893 PolarHBondContact O-N 3.43Å; M889-N893 PolarHBondContact O-ND2 2.95Å
890F87.7Confident80.6Confident37 Ų3765.1 Ų65.116%0.16235%0.353CS..Hα-helixtrans-62.4-45.4175.7173-96000111.9L738 K743 V746 M747 E886 Q887 E888 N893 L894L738-F890 HydrophobicContact CD2-CE2 4.34Å; L738-F890 HydrophobicContact CD2-CZ 3.87Å; K743-F890 HydrophobicContact CB-CE2 4.22Å; K743-F890 HydrophobicContact CG-CE2 4.01Å; K743-F890 HydrophobicContact CG-CZ 4.29Å; V746-F890 HydrophobicContact CB-CD2 4.09Å; V746-F890 HydrophobicContact CB-CE2 3.7Å; V746-F890 HydrophobicContact CG1-CD2 3.72Å; V746-F890 HydrophobicContact CG1-CE2 3.61Å; V746-F890 HydrophobicContact CG1-CZ 4.41Å; V746-F890 HydrophobicContact CG2-CE2 4.08Å; M747-F890 HydrophobicContact CG-CD2 4.08Å; M747-F890 WeakPolarHBondContact SD-CA 3.45Å; M747-F890 HydrophobicContact SD-CB 3.63Å; M747-F890 HydrophobicContact SD-CD2 4.1Å; M747-F890 HydrophobicContact SD-CG 4.38Å; E886-F890 WeakPolarHBondContact O-CB 3.49Å; E886-F890 PolarHBondContact O-N 3.03Å; Q887-F890 WeakPolarHBondContact O-CB 3.38Å; Q887-F890 PolarHBondContact O-N 2.9Å; E888-F890 VanDerWaalsContact C-N 3.28Å; E888-F890 PolarHBondContact O-N 2.64Å; F890-N893 PolarHBondContact O-N 2.95Å; F890-L894 HydrophobicContact CE1-CD2 3.98Å; F890-L894 HydrophobicContact CZ-CD2 4.13Å; F890-L894 VanDerWaalsContact O-CB 3.27Å; F890-L894 WeakPolarHBondContact O-CB 3.38Å; F890-L894 PolarHBondContact O-N 3.18Å
891L86.6Confident82.6Confident95 Ų9559.5 Ų59.550%0.49731%0.313SS..Hα-helixtrans-65.5-40.8178.7-70172.5000111.7Q887 E888 L894 S895Q887-L891 WeakPolarHBondContact O-CG 3.34Å; Q887-L891 PolarHBondContact O-N 2.87Å; E888-L891 PolarHBondContact O-N 2.73Å; E888-L891 VanDerWaalsContact O-N 3.13Å; L891-L894 PolarHBondContact O-N 3.13Å; L891-S895 VanDerWaalsContact O-CB 3.25Å; L891-S895 WeakPolarHBondContact O-CB 3.34Å; L891-S895 PolarHBondContact O-N 2.71Å; L891-S895 PolarHBondContact O-OG 3.05Å
892D85.9Confident84.6Confident63 Ų6355.2 Ų55.234%0.33729%0.29SS..Hα-helixtrans-64.6-43.9176.9-88.38.9000112.1T869 E888 M889 S895 S896T869-D892 WeakPolarHBondContact CG2-OD1 3.23Å; E888-D892 PolarHBondContact O-N 2.78Å; M889-D892 PolarHBondContact O-N 3.25Å; D892-S895 PolarHBondContact O-N 3.26Å; D892-S896 VanDerWaalsContact O-CB 3.32Å; D892-S896 WeakPolarHBondContact O-CB 3.22Å; D892-S896 PolarHBondContact O-N 3.49Å; D892-S896 PolarHBondContact O-OG 3.12Å
893N89.9Confident86.2Confident61 Ų6153 Ų5333%0.32627%0.267SS..Hα-helixtrans-64.3-42.9175.9-77-28.4000111.8V746 M889 F890 S896 M897V746-N893 HydrophobicContact CG1-CB 3.91Å; V746-N893 WeakPolarHBondContact O-CB 3.24Å; M889-N893 WeakPolarHBondContact O-CB 3.36Å; M889-N893 VanDerWaalsContact O-CG 3.31Å; M889-N893 PolarHBondContact O-N 3.43Å; M889-N893 PolarHBondContact O-ND2 2.95Å; F890-N893 PolarHBondContact O-N 2.95Å; N893-S896 PolarHBondContact O-N 3.5Å; N893-M897 WeakPolarHBondContact O-CB 3.46Å; N893-M897 PolarHBondContact O-N 3.47Å
894L91.6Very high87.6Confident9 Ų950.3 Ų50.35%0.04725%0.253CS..Hα-helixtrans-63.1-43.8177.1-177.556.2000111.8V746 D821 Y822 F890 L891 M897 L898V746-L894 HydrophobicContact CG1-CB 4.02Å; V746-L894 HydrophobicContact CG2-CD1 4.38Å; D821-L894 HydrophobicContact CB-CD1 4.22Å; D821-L894 HydrophobicContact CB-CD2 3.95Å; D821-L894 HydrophobicContact CB-CG 3.87Å; Y822-L894 HydrophobicContact CD2-CD1 4.03Å; F890-L894 HydrophobicContact CE1-CD2 3.98Å; F890-L894 HydrophobicContact CZ-CD2 4.13Å; F890-L894 VanDerWaalsContact O-CB 3.27Å; F890-L894 WeakPolarHBondContact O-CB 3.38Å; F890-L894 PolarHBondContact O-N 3.18Å; L891-L894 PolarHBondContact O-N 3.13Å; L894-M897 HydrophobicContact CD1-CE 3.48Å; L894-M897 VanDerWaalsContact CD1-CE 3.48Å; L894-M897 PolarHBondContact O-N 3.34Å; L894-L898 PolarHBondContact O-N 3Å
895S91.5Very high88.9Confident7 Ų746.5 Ų46.55%0.04923%0.233CC..Hα-helixtrans-65.1-42178.5-59.50000111.6I865 L891 D892 L898 T899I865-S895 WeakPolarHBondContact CG2-OG 3.3Å; L891-S895 VanDerWaalsContact O-CB 3.25Å; L891-S895 WeakPolarHBondContact O-CB 3.34Å; L891-S895 PolarHBondContact O-N 2.71Å; L891-S895 PolarHBondContact O-OG 3.05Å; D892-S895 PolarHBondContact O-N 3.26Å; S895-L898 PolarHBondContact O-N 2.95Å; S895-T899 WeakPolarHBondContact O-CB 3.37Å; S895-T899 PolarHBondContact O-N 2.97Å; S895-T899 PolarHBondContact O-OG1 2.82Å
896S92.5Very high90Very high19 Ų1943.2 Ų43.213%0.13321%0.214CC..Hα-helixtrans-62.1-46174.3-61.80000111.4D892 N893 L898 T899 R900D892-S896 VanDerWaalsContact O-CB 3.32Å; D892-S896 WeakPolarHBondContact O-CB 3.22Å; D892-S896 PolarHBondContact O-N 3.49Å; D892-S896 PolarHBondContact O-OG 3.12Å; N893-S896 PolarHBondContact O-N 3.5Å; S896-L898 PolarHBondContact O-N 2.98Å; S896-T899 PolarHBondContact O-N 3.18Å; S896-R900 VanDerWaalsContact O-CG 3.31Å; S896-R900 WeakPolarHBondContact O-CG 3.43Å; S896-R900 PolarHBondContact O-N 3.47Å
897M93.3Very high90.9Very high39 Ų3939.6 Ų39.619%0.19219%0.194CC..Hα-helixtrans-59.4-48.1177.2-177.617555.600112.2V746 Y822 H825 N893 L894 T899 R900 D901V746-M897 HydrophobicContact CG2-CE 3.77Å; Y822-M897 HydrophobicContact CD2-CE 3.81Å; Y822-M897 HydrophobicContact CE2-CE 3.97Å; H825-M897 WeakPolarHBondContact CD2-CE 3.41Å; H825-M897 VanDerWaalsContact NE2-CE 3.33Å; H825-M897 WeakPolarHBondContact NE2-CE 2.93Å; N893-M897 WeakPolarHBondContact O-CB 3.46Å; N893-M897 PolarHBondContact O-N 3.47Å; L894-M897 HydrophobicContact CD1-CE 3.48Å; L894-M897 VanDerWaalsContact CD1-CE 3.48Å; L894-M897 PolarHBondContact O-N 3.34Å; M897-T899 VanDerWaalsContact C-N 3.33Å; M897-T899 PolarHBondContact O-N 3.37Å; M897-R900 WeakPolarHBondContact O-CB 3.41Å; M897-R900 PolarHBondContact O-N 3.18Å; M897-D901 PolarHBondContact O-N 3.29Å; M897-D901 VanDerWaalsContact O-N 3.13Å
898L94.9Very high91.5Very high2 Ų234.8 Ų34.81%0.0117%0.174CC..Hα-helixtrans-61.6-42.4175.8178.562.2000111.5D821 L824 H825 I828 L862 L894 S895 S896 R900 D901 V902D821-L898 HydrophobicContact CB-CD2 4.1Å; L824-L898 HydrophobicContact CB-CD1 4.2Å; L824-L898 HydrophobicContact CD2-CD1 4.11Å; L824-L898 HydrophobicContact CD2-CD2 4.21Å; L824-L898 HydrophobicContact CG-CD1 3.96Å; H825-L898 HydrophobicContact CB-CD1 4.01Å; I828-L898 HydrophobicContact CD1-CD1 3.93Å; L862-L898 HydrophobicContact CD2-CD2 3.89Å; L862-L898 HydrophobicContact CD2-CG 4.06Å; L894-L898 PolarHBondContact O-N 3Å; S895-L898 PolarHBondContact O-N 2.95Å; S896-L898 PolarHBondContact O-N 2.98Å; L898-R900 VanDerWaalsContact C-N 3.33Å; L898-R900 PolarHBondContact O-N 3.22Å; L898-D901 PolarHBondContact O-N 3.09Å; L898-V902 HydrophobicContact CD1-CG2 4.19Å; L898-V902 HydrophobicContact CG-CG2 4.43Å; L898-V902 WeakPolarHBondContact O-CG2 3.21Å; L898-V902 PolarHBondContact O-N 2.91Å
899T95.2Very high92.2Very high0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-62-40.5179-54.30000111.4L862 W866 S895 S896 M897 V902 A903 M976 P984L862-T899 HydrophobicContact CD1-CG2 4.41Å; W866-T899 PolarHBondContact NE1-OG1 3.22Å; S895-T899 WeakPolarHBondContact O-CB 3.37Å; S895-T899 PolarHBondContact O-N 2.97Å; S895-T899 PolarHBondContact O-OG1 2.82Å; S896-T899 PolarHBondContact O-N 3.18Å; M897-T899 VanDerWaalsContact C-N 3.33Å; M897-T899 PolarHBondContact O-N 3.37Å; T899-V902 PolarHBondContact O-N 3.18Å; T899-A903 WeakPolarHBondContact O-CB 3.38Å; T899-A903 PolarHBondContact O-N 3.1Å; T899-M976 HydrophobicContact CG2-CE 4.21Å; T899-M976 HydrophobicContact CG2-CG 4.15Å; T899-P984 HydrophobicContact CG2-CB 3.85Å; T899-P984 HydrophobicContact CG2-CG 3.63Å
900R95.2Very high92.7Very high107 Ų10726.5 Ų26.540%0.40413%0.134SC..Hα-helixtrans-60.3-47.1174.7-72.2172.5-174.9176.14.9112.1S896 M897 L898 A903 A904 D981 V983 P984S896-R900 VanDerWaalsContact O-CG 3.31Å; S896-R900 WeakPolarHBondContact O-CG 3.43Å; S896-R900 PolarHBondContact O-N 3.47Å; M897-R900 WeakPolarHBondContact O-CB 3.41Å; M897-R900 PolarHBondContact O-N 3.18Å; L898-R900 VanDerWaalsContact C-N 3.33Å; L898-R900 PolarHBondContact O-N 3.22Å; R900-A903 WeakPolarHBondContact O-CB 3.43Å; R900-A903 PolarHBondContact O-N 3.17Å; R900-A904 PolarHBondContact O-N 3.42Å; R900-D981 IonicContact CZ-OD1 3.45Å; R900-D981 IonicContact CZ-OD2 3.19Å; R900-D981 IonicContact NE-OD1 2.67Å; R900-D981 IonicContact NE-OD2 3.6Å; R900-D981 PolarHBondContact NE-OD2 3.21Å; R900-D981 IonicContact NH2-OD1 2.74Å; R900-D981 PolarHBondContact NH2-OD1 2.98Å; R900-D981 IonicContact NH2-OD2 2.69Å; R900-D981 PolarHBondContact NH2-OD2 3.16Å; R900-V983 HydrophobicContact CG-CB 4.04Å; R900-V983 HydrophobicContact CG-CG1 3.95Å; R900-P984 HydrophobicContact CG-CG 3.95Å
901D95.4Very high92.7Very high10 Ų1025.8 Ų25.85%0.05314%0.135CC..Hα-helixtrans-68.3-38.6-178.6-75.3-18.6000111.7H825 I828 R829 M897 L898 A903 A904 L905H825-D901 WeakPolarHBondContact CB-OD2 3.34Å; H825-D901 IonicContact CG-OD2 3.03Å; H825-D901 IonicContact ND1-OD2 2.9Å; I828-D901 HydrophobicContact CB-CB 4.47Å; I828-D901 HydrophobicContact CG2-CB 4.1Å; I828-D901 WeakPolarHBondContact CG2-O 3.21Å; R829-D901 IonicContact NH1-OD1 2.64Å; M897-D901 PolarHBondContact O-N 3.29Å; M897-D901 VanDerWaalsContact O-N 3.13Å; L898-D901 PolarHBondContact O-N 3.09Å; D901-A903 VanDerWaalsContact C-N 3.34Å; D901-A903 PolarHBondContact O-N 3.33Å; D901-A904 PolarHBondContact O-N 3.24Å; D901-L905 PolarHBondContact O-N 3.45Å
902V96.5Very high92.6Very high1 Ų127.1 Ų27.11%0.00614%0.137CC..Hα-helixtrans-64.3-39172.5179.80000111I828 C858 L862 L898 T899 L905 L906 L972 M976I828-V902 HydrophobicContact CD1-CG2 3.59Å; C858-V902 HydrophobicContact CB-CG1 4.21Å; L862-V902 HydrophobicContact CD1-CB 4.15Å; L862-V902 HydrophobicContact CD1-CG1 4.25Å; L862-V902 HydrophobicContact CD1-CG2 4.08Å; L898-V902 HydrophobicContact CD1-CG2 4.19Å; L898-V902 HydrophobicContact CG-CG2 4.43Å; L898-V902 WeakPolarHBondContact O-CG2 3.21Å; L898-V902 PolarHBondContact O-N 2.91Å; T899-V902 PolarHBondContact O-N 3.18Å; V902-L905 WeakPolarHBondContact O-CB 3.43Å; V902-L905 PolarHBondContact O-N 3.35Å; V902-L906 WeakPolarHBondContact O-CG 3.49Å; V902-L906 PolarHBondContact O-N 3.39Å; V902-L972 HydrophobicContact CG1-CD1 4.29Å; V902-L972 HydrophobicContact CG1-CD2 3.8Å; V902-L972 HydrophobicContact CG1-CG 4.41Å; V902-M976 HydrophobicContact CB-CE 3.7Å; V902-M976 HydrophobicContact CG1-CE 3.46Å; V902-M976 VanDerWaalsContact CG1-CE 3.46Å
903A95.2Very high91.9Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-65.5-40.1175.800000112.1T899 R900 D901 L905 L906 R907 M976 P984 N987 V988T899-A903 WeakPolarHBondContact O-CB 3.38Å; T899-A903 PolarHBondContact O-N 3.1Å; R900-A903 WeakPolarHBondContact O-CB 3.43Å; R900-A903 PolarHBondContact O-N 3.17Å; D901-A903 VanDerWaalsContact C-N 3.34Å; D901-A903 PolarHBondContact O-N 3.33Å; A903-L905 VanDerWaalsContact C-N 3.34Å; A903-L906 PolarHBondContact O-N 3.22Å; A903-R907 PolarHBondContact O-N 3.42Å; A903-M976 HydrophobicContact CB-CE 4.2Å; A903-M976 HydrophobicContact CB-SD 3.71Å; A903-P984 HydrophobicContact CB-CB 3.91Å; A903-N987 HydrophobicContact CB-CB 4Å; A903-V988 HydrophobicContact CB-CG1 4.12Å
904A93.9Very high90.6Very high28 Ų2831.1 Ų31.123%0.23116%0.158CC..Hα-helixtrans-64.4-37.9174.200000112I833 R900 D901 R907 S908I833-A904 HydrophobicContact CD1-CB 3.87Å; R900-A904 PolarHBondContact O-N 3.42Å; D901-A904 PolarHBondContact O-N 3.24Å; A904-R907 PolarHBondContact O-N 3.49Å; A904-S908 WeakPolarHBondContact O-CB 3.46Å; A904-S908 PolarHBondContact O-N 2.96Å; A904-S908 PolarHBondContact O-OG 3.3Å
905L95.5Very high88.8Confident0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-64.4-48.1172.5177.166.5000111.9I828 L832 I833 V836 F854 F855 D901 V902 A903 R907 S908 V909I828-L905 HydrophobicContact CG2-CB 3.91Å; I828-L905 HydrophobicContact CG2-CD2 4.21Å; L832-L905 HydrophobicContact CB-CD1 4.39Å; L832-L905 HydrophobicContact CD2-CD1 4.01Å; L832-L905 HydrophobicContact CD2-CD2 3.52Å; L832-L905 HydrophobicContact CD2-CG 4.42Å; L832-L905 HydrophobicContact CG-CD1 3.85Å; L832-L905 HydrophobicContact CG-CD2 4.3Å; I833-L905 HydrophobicContact CD1-CB 4.36Å; I833-L905 HydrophobicContact CG1-CB 4.02Å; I833-L905 HydrophobicContact CG1-CD1 4.02Å; V836-L905 HydrophobicContact CG2-CD1 4.26Å; F854-L905 HydrophobicContact CD1-CD2 4.11Å; F854-L905 HydrophobicContact CE1-CD2 3.68Å; F855-L905 HydrophobicContact CE1-CD2 3.96Å; F855-L905 HydrophobicContact CE1-CG 4.33Å; F855-L905 HydrophobicContact CZ-CD2 4.22Å; F855-L905 HydrophobicContact CZ-CG 4.31Å; D901-L905 PolarHBondContact O-N 3.45Å; V902-L905 WeakPolarHBondContact O-CB 3.43Å; V902-L905 PolarHBondContact O-N 3.35Å; A903-L905 VanDerWaalsContact C-N 3.34Å; L905-R907 PolarHBondContact O-N 3.06Å; L905-S908 WeakPolarHBondContact O-CB 3.49Å; L905-S908 PolarHBondContact O-N 2.86Å; L905-V909 HydrophobicContact CD1-CG2 4.12Å; L905-V909 HydrophobicContact CG-CG2 4.42Å; L905-V909 WeakPolarHBondContact O-CG2 3.38Å; L905-V909 PolarHBondContact O-N 2.95Å
906L95Very high86.7Confident0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-55.6-42.9176.2-77.4171.7000111.1F855 V902 A903 V909 L910 L969 L972 M973 M976 V988F855-L906 HydrophobicContact CD1-CD2 4.08Å; F855-L906 HydrophobicContact CE1-CD2 3.58Å; F855-L906 HydrophobicContact CE1-CG 4.15Å; F855-L906 HydrophobicContact CZ-CD2 3.97Å; V902-L906 WeakPolarHBondContact O-CG 3.49Å; V902-L906 PolarHBondContact O-N 3.39Å; A903-L906 PolarHBondContact O-N 3.22Å; L906-V909 PolarHBondContact O-N 3.1Å; L906-L910 HydrophobicContact CB-CD1 4.46Å; L906-L910 HydrophobicContact CD2-CD1 4.2Å; L906-L910 VanDerWaalsContact O-CB 3.25Å; L906-L910 WeakPolarHBondContact O-CB 3.45Å; L906-L910 VanDerWaalsContact O-CG 3.31Å; L906-L910 WeakPolarHBondContact O-CG 3.4Å; L906-L910 PolarHBondContact O-N 3.34Å; L906-L969 HydrophobicContact CD2-CG 4.08Å; L906-L972 HydrophobicContact CD1-CD2 4.15Å; L906-L972 HydrophobicContact CD1-CG 4.13Å; L906-L972 HydrophobicContact CD2-CD2 4.44Å; L906-M973 HydrophobicContact CD1-CB 4.31Å; L906-M976 HydrophobicContact CD1-CE 4.05Å; L906-M976 HydrophobicContact CD1-SD 3.92Å; L906-V988 HydrophobicContact CD1-CG1 4.28Å
907R92.6Very high84Confident57 Ų5755.7 Ų55.722%0.21526%0.259CS..Hα-helixtrans-62.8-44.6175-169.1175-172.576.34.6112.1A903 A904 L905 V909 A911 M945 N987 S990 L991A903-R907 PolarHBondContact O-N 3.42Å; A904-R907 PolarHBondContact O-N 3.49Å; L905-R907 PolarHBondContact O-N 3.06Å; R907-V909 PolarHBondContact O-N 3.23Å; R907-A911 HydrophobicContact CG-CB 4.18Å; R907-A911 WeakPolarHBondContact O-CB 3.24Å; R907-A911 PolarHBondContact O-N 3.18Å; R907-M945 VanDerWaalsContact CZ-CE 3.46Å; R907-N987 PolarHBondContact NH1-O 3Å; R907-S990 PolarHBondContact NH1-OG 2.72Å; R907-L991 HydrophobicContact CB-CD1 4.17Å; R907-L991 HydrophobicContact CG-CD1 4.5Å
908S90.7Very high81.1Confident21 Ų2161.6 Ų61.615%0.14729%0.286CS..Hα-helixtrans-62.6-31.6178.4-600000112.8V836 N837 A904 L905 R913V836-S908 WeakPolarHBondContact CG1-O 3.17Å; N837-S908 WeakPolarHBondContact OD1-CB 3.22Å; A904-S908 WeakPolarHBondContact O-CB 3.46Å; A904-S908 PolarHBondContact O-N 2.96Å; A904-S908 PolarHBondContact O-OG 3.3Å; L905-S908 WeakPolarHBondContact O-CB 3.49Å; L905-S908 PolarHBondContact O-N 2.86Å; S908-R913 PolarHBondContact O-NH2 2.97Å
909V93.7Very high77.8Confident0 Ų070.2 Ų70.20%032%0.324CS..Hα-helixtrans-83.8-45.9178.9171.10000112.1V836 L851 F855 L905 L906 R907 S952 L954 L958V836-V909 HydrophobicContact CG1-CG2 3.82Å; V836-V909 HydrophobicContact CG2-CG2 4.15Å; L851-V909 HydrophobicContact CD1-CG1 4.38Å; L851-V909 HydrophobicContact CD1-CG2 3.97Å; F855-V909 HydrophobicContact CZ-CG2 4.21Å; L905-V909 HydrophobicContact CD1-CG2 4.12Å; L905-V909 HydrophobicContact CG-CG2 4.42Å; L905-V909 WeakPolarHBondContact O-CG2 3.38Å; L905-V909 PolarHBondContact O-N 2.95Å; L906-V909 PolarHBondContact O-N 3.1Å; R907-V909 PolarHBondContact O-N 3.23Å; V909-S952 PolarHBondContact O-OG 3.11Å; V909-L954 HydrophobicContact CG1-CD2 4.12Å; V909-L954 HydrophobicContact CG1-CG 4.24Å; V909-L958 HydrophobicContact CG1-CD1 3.33Å
910L93.4Very high75Confident0 Ų075.8 Ų75.80%035%0.346CS..Hα-helixtrans-94.3-31.7-167.9-62.3173.5000113.9L906 L951 S952 L969 M973 L991 V995L906-L910 HydrophobicContact CB-CD1 4.46Å; L906-L910 HydrophobicContact CD2-CD1 4.2Å; L906-L910 VanDerWaalsContact O-CB 3.25Å; L906-L910 WeakPolarHBondContact O-CB 3.45Å; L906-L910 VanDerWaalsContact O-CG 3.31Å; L906-L910 WeakPolarHBondContact O-CG 3.4Å; L906-L910 PolarHBondContact O-N 3.34Å; L910-L951 HydrophobicContact CB-CD2 4.24Å; L910-L951 WeakPolarHBondContact O-CA 3.5Å; L910-L951 WeakPolarHBondContact O-CD2 3.18Å; L910-S952 PolarHBondContact O-N 3.4Å; L910-L969 HydrophobicContact CD1-CD2 4.09Å; L910-L969 HydrophobicContact CD2-CD1 4.43Å; L910-L969 HydrophobicContact CD2-CD2 4.28Å; L910-M973 HydrophobicContact CD1-SD 4.15Å; L910-L991 HydrophobicContact CB-CD1 4.35Å; L910-L991 HydrophobicContact CB-CD2 4.37Å; L910-L991 HydrophobicContact CD1-CD1 4.38Å; L910-V995 HydrophobicContact CD1-CG2 4.19Å
911A89.2Confident71.8Confident23 Ų2379.6 Ų79.619%0.1937%0.368CS..BIsolated β-bridgetrans-74.7132.2-176.100000111.2R907 R913 S952 L991R907-A911 HydrophobicContact CG-CB 4.18Å; R907-A911 WeakPolarHBondContact O-CB 3.24Å; R907-A911 PolarHBondContact O-N 3.18Å; A911-R913 PolarHBondContact O-N 2.81Å; A911-S952 WeakPolarHBondContact O-CB 3.32Å; A911-L991 HydrophobicContact CB-CD2 3.86Å
912K83Confident68.5Low123 Ų12386.1 Ų86.154%0.53540%0.403SS..PPolyproline II helixtrans-65.2120.9167.5-173.5172.6-173173.70109.1D950K912-D950 WeakPolarHBondContact CB-O 3.34Å; K912-D950 HydrophobicContact CD-CB 3.85Å; K912-D950 PolarHBondContact N-O 3.44Å; K912-D950 IonicContact NZ-OD2 3.64Å; K912-D950 PolarHBondContact NZ-OD2 2.85Å
913R72.1Confident65.2Low91 Ų9187.9 Ų87.934%0.34342%0.421SS..PPolyproline II helixtrans-73.5140.3177.7-63.9-173.1-170.413518109.7V836 N837 S908 A911 E915V836-R913 PolarHBondContact O-NH1 3.4Å; V836-R913 PolarHBondContact O-NH2 3.4Å; N837-R913 VanDerWaalsContact CA-NH1 3.31Å; N837-R913 PolarHBondContact O-NH1 3.1Å; N837-R913 PolarHBondContact OD1-NE 3.4Å; N837-R913 PolarHBondContact OD1-NH2 2.69Å; S908-R913 PolarHBondContact O-NH2 2.97Å; A911-R913 PolarHBondContact O-N 2.81Å; R913-E915 PolarHBondContact O-N 3.19Å
914P62.6Low61.9Low117 Ų11792 Ų9276%0.7645%0.45SS*.PPolyproline II helixtrans-57136.3164.824.9-30.6000107.9R916P914-R916 PolarHBondContact O-N 2.97Å
915E53.4Low58.8Low190 Ų19092.6 Ų92.689%0.88846%0.455SS*.PPolyproline II helixtrans-49.5118.6176.4-74179.2175.800108.2R913 K917R913-E915 PolarHBondContact O-N 3.19Å; E915-K917 PolarHBondContact O-N 3.49Å
916R48.6Very low55.4Low167 Ų16795.6 Ų95.663%0.6348%0.48SS*.  trans-58.6108.1175.4-87.4-177.5171.6168-3106P914 E918P914-R916 PolarHBondContact O-N 2.97Å; R916-E918 PolarHBondContact O-N 3.25Å
917K34Very low52.2Low193 Ų193100.6 Ų100.684%0.83951%0.506SS*.  trans-55.9113.5151.6-72.8-174.6178.2-179.80104E915 K919E915-K917 PolarHBondContact O-N 3.49Å; K917-K919 PolarHBondContact O-N 2.88Å
918E32.2Very low49.2Very low163 Ų163106.1 Ų106.176%0.76254%0.535SS*.SBendtrans-48.492.7179.6-68.2175.9157.800109.4R916R916-E918 PolarHBondContact O-N 3.25Å
919K27.5Very low46.2Very low183 Ų183111.5 Ų111.580%0.79656%0.562SS**  trans-127.185.3158.1-81.3-169.7172.7-170.20101.5K917 E921K917-K919 PolarHBondContact O-N 2.88Å; K919-E921 PolarHBondContact O-N 3.05Å
920Y34.5Very low43.1Very low117 Ų117118 Ų11846%0.45959%0.592SS.*PPolyproline II helixtrans-65.9130.6162-78.6-91.4000105E671 N922E671-Y920 WeakPolarHBondContact OE1-CB 3.2Å; Y920-N922 PolarHBondContact O-N 3.1Å; Y920-N922 VanDerWaalsContact O-N 3.12Å
921E28.3Very low40Very low187 Ų187123.9 Ų123.987%0.87462%0.62SS**PPolyproline II helixtrans-67.3117.6-177.2-76.9167.7156.500107.3K919 G923K919-E921 PolarHBondContact O-N 3.05Å; E921-G923 PolarHBondContact O-N 3.2Å
922N26.6Very low37.1Very low148 Ų148127.8 Ų127.879%0.79163%0.634SS**PPolyproline II helixtrans-48.5118.5161.9-88.8-28.1000107.4Y920 S924Y920-N922 PolarHBondContact O-N 3.1Å; Y920-N922 VanDerWaalsContact O-N 3.12Å; N922-S924 PolarHBondContact O-N 2.99Å
923G28.1Very low34.4Very low37 Ų37125.7 Ų125.738%0.38164%0.639SS.*  trans-60.682.9165.500000109.3E921E921-G923 PolarHBondContact O-N 3.2Å
924S26Very low32.3Very low86 Ų86124.3 Ų124.360%0.60164%0.644SS**  trans-85.7128.8136.4173.90000104.2N922 A926N922-S924 PolarHBondContact O-N 2.99Å; S924-A926 PolarHBondContact O-N 3.3Å
925A27.8Very low30.7Very low41 Ų41122.7 Ų122.734%0.33963%0.629SS.*  trans-41118.1161.100000107.3N927A925-N927 PolarHBondContact O-N 3.38Å
926A23.8Very low29.4Very low63 Ų63120.6 Ų120.652%0.52162%0.619SS.*  trans-55.1117.4164.700000104S924 E928S924-A926 PolarHBondContact O-N 3.3Å; A926-E928 PolarHBondContact O-N 3.09Å; A926-E928 VanDerWaalsContact O-N 3.14Å
927N27.4Very low28.5Very low105 Ų105118.3 Ų118.356%0.56162%0.619SS**  trans-50.6127.9171.7-71.8-38.3000105.8A925 D929 E930A925-N927 PolarHBondContact O-N 3.38Å; N927-D929 PolarHBondContact O-N 3.33Å; N927-E930 PolarHBondContact O-N 3.32Å
928E30Very low28.2Very low173 Ų173116.3 Ų116.381%0.80861%0.614SS**Hα-helixtrans-55.3-18.2-179.3-65.3-179.5150.100111.6A926A926-E928 PolarHBondContact O-N 3.09Å; A926-E928 VanDerWaalsContact O-N 3.14Å
929D28.2Very low28.3Very low135 Ų135115.1 Ų115.172%0.72261%0.612SS**Hα-helixtrans-76-18.7173.5-61.2-38.5000115.2N927N927-D929 PolarHBondContact O-N 3.33Å
930E28.8Very low28.7Very low137 Ų137107.9 Ų107.964%0.6458%0.583SS**Hα-helixtrans-87.8-24.3176.6-76.7-169.7170.900113.1N927 A933 S934N927-E930 PolarHBondContact O-N 3.32Å; E930-A933 PolarHBondContact O-N 3.42Å; E930-S934 PolarHBondContact O-N 3.05Å; E930-S934 VanDerWaalsContact O-N 3.15Å
931E28.3Very low28.8Very low122 Ų122107.2 Ų107.257%0.5759%0.588SS**Hα-helixtrans-70.5-38.4174.4-97.2-172.5163.500111.8A933 S934 D935E931-A933 VanDerWaalsContact C-N 3.29Å; E931-A933 PolarHBondContact O-N 2.53Å; E931-S934 PolarHBondContact O-N 3.49Å; E931-D935 VanDerWaalsContact O-CG 3.25Å; E931-D935 PolarHBondContact O-N 2.95Å; E931-D935 VanDerWaalsContact O-N 3.11Å
932E28.5Very low29.3Very low106 Ų106101.1 Ų101.150%0.49556%0.56SS.*Hα-helixtrans-68.4-26.5176.1-72.6-167.5166.200113
933A26.5Very low29.7Very low78 Ų7898.3 Ų98.365%0.64555%0.552SS**Hα-helixtrans-80.3-29.5175.300000113.1E930 E931 D935E930-A933 PolarHBondContact O-N 3.42Å; E931-A933 VanDerWaalsContact C-N 3.29Å; E931-A933 PolarHBondContact O-N 2.53Å; A933-D935 VanDerWaalsContact C-N 3.27Å
934S26.8Very low30.2Very low62 Ų62100.4 Ų100.443%0.43456%0.561SS.*Hα-helixtrans-69.3-27.7170.2159.40000111.8E930 E931 Q936E930-S934 PolarHBondContact O-N 3.05Å; E930-S934 VanDerWaalsContact O-N 3.15Å; E931-S934 PolarHBondContact O-N 3.49Å; S934-Q936 VanDerWaalsContact C-N 3.3Å; S934-Q936 PolarHBondContact O-N 3.4Å
935D29.3Very low31.5Very low84 Ų8496.7 Ų96.745%0.44953%0.534SS..THydrogen-bonded Turntrans-71.3-16.8-172.6-84.54.9000115R829 E931 A933R829-D935 IonicContact CZ-OD1 3.79Å; R829-D935 IonicContact NE-OD1 3.35Å; R829-D935 IonicContact NH2-OD1 3.83Å; R829-D935 PolarHBondContact NH2-OD1 3.41Å; R829-D935 IonicContact NH2-OD2 3.31Å; E931-D935 VanDerWaalsContact O-CG 3.25Å; E931-D935 PolarHBondContact O-N 2.95Å; E931-D935 VanDerWaalsContact O-N 3.11Å; A933-D935 VanDerWaalsContact C-N 3.27Å
936Q26.9Very low32.8Very low146 Ų146101.6 Ų101.668%0.68255%0.554SS**THydrogen-bonded Turntrans-93.6-23.1-177.1-77.9-172.94.700115.8S934S934-Q936 VanDerWaalsContact C-N 3.3Å; S934-Q936 PolarHBondContact O-N 3.4Å
937L28Very low34.4Very low119 Ų11999.4 Ų99.462%0.62353%0.534SS*.  trans-162.385.9179.5-88.6123.8000108.3L939L937-L939 HydrophobicContact CB-CD1 4.4Å; L937-L939 HydrophobicContact CB-CG 4.04Å; L937-L939 HydrophobicContact CD2-CD1 3.96Å; L937-L939 HydrophobicContact CD2-CD2 3.59Å; L937-L939 HydrophobicContact CD2-CG 3.44Å; L937-L939 VanDerWaalsContact CD2-CG 3.44Å; L937-L939 HydrophobicContact CG-CG 4.33Å; L937-L939 PolarHBondContact O-N 2.93Å
938M29Very low35.7Very low150 Ų15096.6 Ų96.674%0.73953%0.53SS*.  trans-61.277.3136.5-75.5-82.4-117.700105.9V940M938-V940 HydrophobicContact CB-CG2 4.38Å; M938-V940 PolarHBondContact O-N 3.44Å
939L34.1Very low37.6Very low138 Ų13890.6 Ų90.672%0.72352%0.515SS*.  trans-58.281.6148.5-78161.4000103.5L937 D941L937-L939 HydrophobicContact CB-CD1 4.4Å; L937-L939 HydrophobicContact CB-CG 4.04Å; L937-L939 HydrophobicContact CD2-CD1 3.96Å; L937-L939 HydrophobicContact CD2-CD2 3.59Å; L937-L939 HydrophobicContact CD2-CG 3.44Å; L937-L939 VanDerWaalsContact CD2-CG 3.44Å; L937-L939 HydrophobicContact CG-CG 4.33Å; L937-L939 PolarHBondContact O-N 2.93Å; L939-D941 VanDerWaalsContact C-N 3.29Å; L939-D941 PolarHBondContact O-N 2.81Å
940V36.3Very low40.2Very low32 Ų3287.9 Ų87.919%0.19450%0.5CS..  trans-51.5109.3164.7-177.20000102.7M938 M942 M945 I986M938-V940 HydrophobicContact CB-CG2 4.38Å; M938-V940 PolarHBondContact O-N 3.44Å; V940-M942 VanDerWaalsContact C-N 3.29Å; V940-M942 PolarHBondContact O-N 3.48Å; V940-M945 HydrophobicContact CB-SD 4.29Å; V940-M945 HydrophobicContact CG1-CE 4.29Å; V940-M945 HydrophobicContact CG1-CG 3.98Å; V940-M945 HydrophobicContact CG1-SD 3.3Å; V940-M945 WeakPolarHBondContact CG1-SD 3.44Å; V940-I986 HydrophobicContact CB-CG2 4.45Å
941D35.4Very low43.1Very low102 Ų10281.7 Ų81.755%0.54547%0.471SS..  trans-55.8104.3-177.9-177.1-8.4000106.1L939 S943 S944L939-D941 VanDerWaalsContact C-N 3.29Å; L939-D941 PolarHBondContact O-N 2.81Å; D941-S943 PolarHBondContact O-N 2.98Å; D941-S943 WeakPolarHBondContact OD1-CB 3.4Å; D941-S943 PolarHBondContact OD1-N 3.38Å; D941-S943 PolarHBondContact OD1-OG 2.84Å; D941-S943 PolarHBondContact OD2-OG 3.16Å; D941-S944 PolarHBondContact O-N 2.94Å; D941-S944 PolarHBondContact O-OG 3.36Å
942M38.9Very low46.1Very low59 Ų5976.3 Ų76.329%0.29145%0.447SS..G310 helixtrans-60-19.1-169.3-77.7-72.4-87.500110.9V940 M945 I986 K1033V940-M942 VanDerWaalsContact C-N 3.29Å; V940-M942 PolarHBondContact O-N 3.48Å; M942-M945 HydrophobicContact SD-SD 4.43Å; M942-I986 HydrophobicContact CE-CD1 3.92Å; M942-I986 HydrophobicContact CE-CG1 3.81Å; M942-I986 HydrophobicContact CE-CG2 4.39Å; M942-I986 HydrophobicContact SD-CB 4.17Å; M942-I986 HydrophobicContact SD-CD1 3.78Å; M942-I986 HydrophobicContact SD-CG1 3.78Å; M942-I986 HydrophobicContact SD-CG2 3.31Å; M942-I986 WeakPolarHBondContact SD-CG2 3.36Å; M942-K1033 HydrophobicContact CE-CD 3.86Å; M942-K1033 PolarHBondContact O-NZ 2.92Å; M942-K1033 PolarHBondContact SD-NZ 2.99Å
943S34.7Very low49.2Very low89 Ų8973.2 Ų73.262%0.62244%0.436SS*.G310 helixtrans-75.1-21.7177.4750000114.2D941 M945D941-S943 PolarHBondContact O-N 2.98Å; D941-S943 WeakPolarHBondContact OD1-CB 3.4Å; D941-S943 PolarHBondContact OD1-N 3.38Å; D941-S943 PolarHBondContact OD1-OG 2.84Å; D941-S943 PolarHBondContact OD2-OG 3.16Å; S943-M945 VanDerWaalsContact C-N 3.32Å; S943-M945 PolarHBondContact O-N 3.23Å
944S39.2Very low52.4Low81 Ų8169.6 Ų69.657%0.56641%0.406SS*.G310 helixtrans-87.34.4-178.168.50000114.4D941D941-S944 PolarHBondContact O-N 2.94Å; D941-S944 PolarHBondContact O-OG 3.36Å
945M52.6Low55.6Low9 Ų966.7 Ų66.74%0.04439%0.385CS..  trans-113.950.2-166.6-56.4-171.868.200113.3R907 V940 M942 S943 I947 I986 S990R907-M945 VanDerWaalsContact CZ-CE 3.46Å; V940-M945 HydrophobicContact CB-SD 4.29Å; V940-M945 HydrophobicContact CG1-CE 4.29Å; V940-M945 HydrophobicContact CG1-CG 3.98Å; V940-M945 HydrophobicContact CG1-SD 3.3Å; V940-M945 WeakPolarHBondContact CG1-SD 3.44Å; M942-M945 HydrophobicContact SD-SD 4.43Å; S943-M945 VanDerWaalsContact C-N 3.32Å; S943-M945 PolarHBondContact O-N 3.23Å; M945-I947 PolarHBondContact O-N 2.95Å; M945-I986 HydrophobicContact CE-CG2 4.12Å; M945-I986 WeakPolarHBondContact CE-O 3.49Å; M945-I986 HydrophobicContact SD-CG2 3.62Å; M945-S990 WeakPolarHBondContact CE-OG 3.27Å
946D55.8Low58.6Low143 Ų14365.7 Ų65.777%0.76538%0.377SS*.  trans-61.2125178.1-95.4-22.7000110.9G948D946-G948 PolarHBondContact O-N 3.09Å
947I57.4Low61.8Low17 Ų1762.3 Ų62.39%0.08736%0.362CS..THydrogen-bonded Turntrans-63.4127174.3-59.7171.5000106.4M945 T989 C993 K1033 D1036 R1040M945-I947 PolarHBondContact O-N 2.95Å; I947-T989 HydrophobicContact CD1-CG2 4.27Å; I947-C993 HydrophobicContact CG2-CB 3.9Å; I947-K1033 HydrophobicContact CD1-CB 4.45Å; I947-K1033 WeakPolarHBondContact CD1-O 2.98Å; I947-D1036 HydrophobicContact CD1-CB 3.7Å; I947-R1040 VanDerWaalsContact O-CZ 3.29Å; I947-R1040 PolarHBondContact O-NH1 2.71Å; I947-R1040 PolarHBondContact O-NH2 3.03Å
948G55.2Low65Low47 Ų4756.8 Ų56.849%0.48533%0.333SS..THydrogen-bonded Turntrans108.516.8179.200000116.6D946D946-G948 PolarHBondContact O-N 3.09Å
949G70Confident68.1Low47 Ų4749.7 Ų49.749%0.48530%0.297SS..PPolyproline II helixtrans-60169.6162.300000112.8P994G949-P994 WeakPolarHBondContact O-CB 3.48Å; G949-P994 WeakPolarHBondContact O-CG 3.35Å
950D82.1Confident70.7Confident78 Ų7845.9 Ų45.942%0.41728%0.278SS..PPolyproline II helixtrans-89.1156.7175.5-168.513.6000110.4K912 K956K912-D950 WeakPolarHBondContact CB-O 3.34Å; K912-D950 HydrophobicContact CD-CB 3.85Å; K912-D950 PolarHBondContact N-O 3.44Å; K912-D950 IonicContact NZ-OD2 3.64Å; K912-D950 PolarHBondContact NZ-OD2 2.85Å; D950-K956 WeakPolarHBondContact OD1-CE 3.34Å; D950-K956 IonicContact OD1-NZ 3.03Å; D950-K956 PolarHBondContact OD1-NZ 2.78Å; D950-K956 IonicContact OD2-NZ 2.76Å
951L90.6Very high72.9Confident6 Ų651.3 Ų51.33%0.03130%0.301CS..BIsolated β-bridgetrans-77.7151.5175.7-71.1175.6000111.3L910 K956 L959 P994 V995 E998L910-L951 HydrophobicContact CB-CD2 4.24Å; L910-L951 WeakPolarHBondContact O-CA 3.5Å; L910-L951 WeakPolarHBondContact O-CD2 3.18Å; L951-K956 HydrophobicContact CB-CG 3.86Å; L951-K956 HydrophobicContact CD1-CG 4.34Å; L951-L959 HydrophobicContact CD1-CD1 3.66Å; L951-P994 HydrophobicContact CD2-CB 3.85Å; L951-P994 HydrophobicContact CG-CB 3.86Å; L951-V995 HydrophobicContact CD2-CG2 3.87Å; L951-E998 HydrophobicContact CD1-CB 3.62Å; L951-E998 HydrophobicContact CD1-CG 3.93Å
952S91.6Very high75.2Confident10 Ų1054.8 Ų54.87%0.0731%0.314CS..PPolyproline II helixtrans-64.7154.4169.989.60000111V909 L910 A911 L954 G955 K956V909-S952 PolarHBondContact O-OG 3.11Å; L910-S952 PolarHBondContact O-N 3.4Å; A911-S952 WeakPolarHBondContact O-CB 3.32Å; S952-L954 VanDerWaalsContact C-N 3.26Å; S952-L954 PolarHBondContact O-N 3.07Å; S952-L954 PolarHBondContact OG-N 3.23Å; S952-G955 PolarHBondContact O-N 3.42Å; S952-G955 VanDerWaalsContact O-N 3.11Å; S952-G955 PolarHBondContact OG-N 3.27Å; S952-K956 WeakPolarHBondContact O-CG 3.39Å; S952-K956 PolarHBondContact O-N 2.96Å
953P92.4Very high77.2Confident41 Ų4154.1 Ų54.127%0.26631%0.311SS..Hα-helixtrans-56.9-39.5173.8-22.531.8000112.7E841 F844 K956 Q957E841-P953 HydrophobicContact CG-CB 4.02Å; E841-P953 HydrophobicContact CG-CG 4.08Å; E841-P953 WeakPolarHBondContact OE1-CB 3.25Å; E841-P953 WeakPolarHBondContact OE1-CG 3.44Å; F844-P953 HydrophobicContact CD2-CB 4.09Å; F844-P953 HydrophobicContact CE2-CB 3.98Å; F844-P953 HydrophobicContact CE2-CG 4.23Å; P953-K956 PolarHBondContact O-N 3.12Å; P953-Q957 WeakPolarHBondContact O-CG 3.46Å; P953-Q957 PolarHBondContact O-N 3.34Å
954L94Very high79.1Confident2 Ų254.8 Ų54.81%0.0132%0.316CS..Hα-helixtrans-61.6-44.5174.6178.161.5000111.6V836 F844 L847 L848 L851 V909 S952 K956 Q957 L958V836-L954 HydrophobicContact CG1-CD2 4.3Å; F844-L954 HydrophobicContact CB-CB 4.36Å; F844-L954 HydrophobicContact CB-CD1 3.96Å; F844-L954 HydrophobicContact CD1-CB 4.23Å; F844-L954 HydrophobicContact CD1-CD2 4.38Å; F844-L954 HydrophobicContact CD2-CB 3.63Å; F844-L954 HydrophobicContact CE1-CB 4.44Å; F844-L954 HydrophobicContact CE2-CB 3.86Å; F844-L954 HydrophobicContact CG-CB 3.83Å; F844-L954 HydrophobicContact CG-CD1 4.23Å; F844-L954 HydrophobicContact CG-CG 4.46Å; F844-L954 HydrophobicContact CZ-CB 4.26Å; L847-L954 HydrophobicContact CB-CD1 4.36Å; L847-L954 HydrophobicContact CD1-CD2 4.32Å; L848-L954 HydrophobicContact CD2-CD1 3.75Å; L851-L954 HydrophobicContact CD1-CD2 4.02Å; V909-L954 HydrophobicContact CG1-CD2 4.12Å; V909-L954 HydrophobicContact CG1-CG 4.24Å; S952-L954 VanDerWaalsContact C-N 3.26Å; S952-L954 PolarHBondContact O-N 3.07Å; S952-L954 PolarHBondContact OG-N 3.23Å; L954-K956 PolarHBondContact O-N 2.73Å; L954-Q957 PolarHBondContact O-N 3.47Å; L954-L958 HydrophobicContact CD1-CD1 4.34Å; L954-L958 HydrophobicContact CD1-CG 4.44Å; L954-L958 HydrophobicContact CG-CD1 4.18Å; L954-L958 WeakPolarHBondContact O-CG 3.31Å; L954-L958 PolarHBondContact O-N 3.12Å
955G93.5Very high81.4Confident0 Ų051.6 Ų51.60%029%0.294CS..Hα-helixtrans-61.2-43.9177.500000112S952 Q957 L958 L959S952-G955 PolarHBondContact O-N 3.42Å; S952-G955 VanDerWaalsContact O-N 3.11Å; S952-G955 PolarHBondContact OG-N 3.27Å; G955-Q957 VanDerWaalsContact C-N 3.31Å; G955-Q957 PolarHBondContact O-N 3.32Å; G955-L958 PolarHBondContact O-N 3.06Å; G955-L959 WeakPolarHBondContact O-CG 3.29Å; G955-L959 PolarHBondContact O-N 3.38Å
956K93.8Very high83.3Confident63 Ų6352.9 Ų52.927%0.27430%0.299SS..Hα-helixtrans-62.2-38174.7-65.4-173.9-178.7179.70112.1D950 L951 S952 P953 L954 E998 K1002D950-K956 WeakPolarHBondContact OD1-CE 3.34Å; D950-K956 IonicContact OD1-NZ 3.03Å; D950-K956 PolarHBondContact OD1-NZ 2.78Å; D950-K956 IonicContact OD2-NZ 2.76Å; L951-K956 HydrophobicContact CB-CG 3.86Å; L951-K956 HydrophobicContact CD1-CG 4.34Å; S952-K956 WeakPolarHBondContact O-CG 3.39Å; S952-K956 PolarHBondContact O-N 2.96Å; P953-K956 PolarHBondContact O-N 3.12Å; L954-K956 PolarHBondContact O-N 2.73Å; K956-E998 WeakPolarHBondContact CE-OE2 3.35Å; K956-K1002 PolarHBondContact O-NZ 2.59Å
957Q93.8Very high85.1Confident76 Ų7648.5 Ų48.536%0.35528%0.28SS..Hα-helixtrans-70-35.9176.9-71.8176.97.200112.8L848 P953 L954 G955 N960 L963L848-Q957 HydrophobicContact CD1-CB 4.32Å; L848-Q957 HydrophobicContact CD2-CB 3.64Å; P953-Q957 WeakPolarHBondContact O-CG 3.46Å; P953-Q957 PolarHBondContact O-N 3.34Å; L954-Q957 PolarHBondContact O-N 3.47Å; G955-Q957 VanDerWaalsContact C-N 3.31Å; G955-Q957 PolarHBondContact O-N 3.32Å; Q957-N960 VanDerWaalsContact O-CB 3.28Å; Q957-N960 WeakPolarHBondContact O-CB 3.47Å; Q957-L963 WeakPolarHBondContact O-CD1 3.44Å
958L94Very high86.8Confident3 Ų348.7 Ų48.72%0.01628%0.283CS..Hα-helixtrans-70.6-31.2175.9-75.9169.7000113L848 L851 F855 V909 L954 G955 N960 L963 F966 L969L848-L958 HydrophobicContact CD2-CD2 3.96Å; L848-L958 HydrophobicContact CD2-CG 3.97Å; L851-L958 HydrophobicContact CB-CD1 4.38Å; L851-L958 HydrophobicContact CB-CD2 4.17Å; L851-L958 HydrophobicContact CD1-CD1 4.09Å; F855-L958 HydrophobicContact CE2-CD1 4.39Å; V909-L958 HydrophobicContact CG1-CD1 3.33Å; L954-L958 HydrophobicContact CD1-CD1 4.34Å; L954-L958 HydrophobicContact CD1-CG 4.44Å; L954-L958 HydrophobicContact CG-CD1 4.18Å; L954-L958 WeakPolarHBondContact O-CG 3.31Å; L954-L958 PolarHBondContact O-N 3.12Å; G955-L958 PolarHBondContact O-N 3.06Å; L958-N960 PolarHBondContact O-N 3.25Å; L958-L963 HydrophobicContact CD2-CD1 4.41Å; L958-F966 WeakPolarHBondContact O-CB 3.4Å; L958-L969 HydrophobicContact CB-CD1 4.46Å; L958-L969 HydrophobicContact CD1-CD1 4.46Å
959L93.9Very high88.7Confident0 Ų046.6 Ų46.60%026%0.261CS..SBendtrans-81.265172.9-63.8175.1000110.6L951 G955 F966 L969 V970 V995 E998 L999 K1002L951-L959 HydrophobicContact CD1-CD1 3.66Å; G955-L959 WeakPolarHBondContact O-CG 3.29Å; G955-L959 PolarHBondContact O-N 3.38Å; L959-F966 HydrophobicContact CD2-CB 4.49Å; L959-L969 HydrophobicContact CD2-CD2 4.04Å; L959-V970 HydrophobicContact CD2-CG2 3.95Å; L959-V995 HydrophobicContact CD1-CB 4.39Å; L959-V995 HydrophobicContact CD1-CG1 4Å; L959-V995 HydrophobicContact CD1-CG2 4.25Å; L959-V995 HydrophobicContact CD2-CG1 4.25Å; L959-E998 HydrophobicContact CB-CG 4.36Å; L959-E998 HydrophobicContact CD1-CB 4.17Å; L959-E998 HydrophobicContact CD1-CG 4.02Å; L959-L999 HydrophobicContact CD2-CD2 4.29Å; L959-K1002 WeakPolarHBondContact O-CD 3.49Å; L959-K1002 WeakPolarHBondContact O-CE 3.42Å; L959-K1002 PolarHBondContact O-NZ 2.89Å
960N89.9Confident90Very high59 Ų5944.8 Ų44.832%0.31624%0.24SC..  trans-131.5136.4-177.9-173.8-23000110.2Q957 L958 Q962 L963 F966Q957-N960 VanDerWaalsContact O-CB 3.28Å; Q957-N960 WeakPolarHBondContact O-CB 3.47Å; L958-N960 PolarHBondContact O-N 3.25Å; N960-Q962 PolarHBondContact O-N 3.5Å; N960-Q962 PolarHBondContact OD1-N 2.66Å; N960-Q962 VanDerWaalsContact OD1-N 3.09Å; N960-L963 CarbonylContact O-C 3.49Å; N960-L963 PolarHBondContact O-N 3.28Å; N960-F966 WeakPolarHBondContact O-CD1 3.42Å
961E83.1Confident90.6Very high145 Ų14543.4 Ų43.468%0.67823%0.232SC*.THydrogen-bonded Turntrans-54.5-34.4178.9-158.3179.4174.400113.2L963 L1004E961-L963 PolarHBondContact O-N 3.33Å; E961-L1004 HydrophobicContact CB-CD2 3.7Å; E961-L1004 HydrophobicContact CG-CD2 3.83Å
962Q82.9Confident90.8Very high176 Ų17643.1 Ų43.182%0.82223%0.231SC*.THydrogen-bonded Turntrans-66.7-22.7179-64.5-174.2-6.500112.9N960N960-Q962 PolarHBondContact O-N 3.5Å; N960-Q962 PolarHBondContact OD1-N 2.66Å; N960-Q962 VanDerWaalsContact OD1-N 3.09Å
963L80.6Confident91Very high44 Ų4442.7 Ų42.723%0.2323%0.228CC..SBendtrans-99.188.2175.1-65.8170.9000107.6A852 Q957 L958 N960 E961 S965 F966A852-L963 HydrophobicContact CB-CD2 4.1Å; Q957-L963 WeakPolarHBondContact O-CD1 3.44Å; L958-L963 HydrophobicContact CD2-CD1 4.41Å; N960-L963 CarbonylContact O-C 3.49Å; N960-L963 PolarHBondContact O-N 3.28Å; E961-L963 PolarHBondContact O-N 3.33Å; L963-S965 PolarHBondContact O-N 3.47Å; L963-F966 WeakPolarHBondContact O-CD1 3.47Å; L963-F966 PolarHBondContact O-N 3.02Å
964S75Confident91.2Very high104 Ų10440.7 Ų40.773%0.72722%0.215SC*.THydrogen-bonded Turntrans-52.6-16.8-178.556.80000114.6F966 S967S964-F966 VanDerWaalsContact C-N 3.31Å; S964-F966 PolarHBondContact O-N 3.02Å; S964-S967 PolarHBondContact O-OG 3.48Å
965S86.3Confident91.2Very high14 Ų1442.6 Ų42.610%0.09822%0.224CC..THydrogen-bonded Turntrans-70.4-13.7174.357.70000115.5A852 L963 S967 S968 L969A852-S965 WeakPolarHBondContact CA-OG 3.27Å; A852-S965 VanDerWaalsContact CB-OG 3.29Å; A852-S965 WeakPolarHBondContact CB-OG 3.19Å; A852-S965 WeakPolarHBondContact O-CB 3.25Å; A852-S965 PolarHBondContact O-OG 2.9Å; L963-S965 PolarHBondContact O-N 3.47Å; S965-S967 PolarHBondContact O-N 3.18Å; S965-S968 PolarHBondContact O-N 3.48Å; S965-L969 PolarHBondContact O-N 3.26Å; S965-L969 VanDerWaalsContact O-N 3.16Å
966F93.2Very high91.2Very high35 Ų3542.6 Ų42.615%0.15422%0.224CC..Hα-helixtrans-59.1-35.5-177.785-95.1000111.6L958 L959 N960 L963 S964 L969 V970 L999 L1004L958-F966 WeakPolarHBondContact O-CB 3.4Å; L959-F966 HydrophobicContact CD2-CB 4.49Å; N960-F966 WeakPolarHBondContact O-CD1 3.42Å; L963-F966 WeakPolarHBondContact O-CD1 3.47Å; L963-F966 PolarHBondContact O-N 3.02Å; S964-F966 VanDerWaalsContact C-N 3.31Å; S964-F966 PolarHBondContact O-N 3.02Å; F966-L969 PolarHBondContact O-N 3.49Å; F966-V970 VanDerWaalsContact O-CG2 3.31Å; F966-V970 WeakPolarHBondContact O-CG2 3.38Å; F966-V970 PolarHBondContact O-N 2.9Å; F966-L999 HydrophobicContact CD2-CD2 3.94Å; F966-L999 HydrophobicContact CE2-CD2 3.97Å; F966-L1004 HydrophobicContact CE2-CB 4.1Å; F966-L1004 HydrophobicContact CE2-CD1 4.32Å; F966-L1004 HydrophobicContact CZ-CB 4.13Å; F966-L1004 HydrophobicContact CZ-CD1 4.37Å; F966-L1004 HydrophobicContact CZ-CD2 4.48Å
967S93.2Very high91.2Very high51 Ų5139.6 Ų39.636%0.35721%0.211SC..Hα-helixtrans-61-46.617859.30000111.2S964 S965 L969 V970 L971S964-S967 PolarHBondContact O-OG 3.48Å; S965-S967 PolarHBondContact O-N 3.18Å; S967-L969 VanDerWaalsContact C-N 3.32Å; S967-L969 PolarHBondContact O-N 3.42Å; S967-V970 PolarHBondContact O-N 3.29Å; S967-L971 WeakPolarHBondContact O-CB 3.45Å; S967-L971 VanDerWaalsContact O-CG 3.27Å; S967-L971 WeakPolarHBondContact O-CG 3.38Å; S967-L971 PolarHBondContact O-N 3.02Å
968S94.5Very high91.1Very high22 Ų2236.6 Ų36.615%0.15420%0.198CC..Hα-helixtrans-62.7-37.3176.3-520000112.6S965 L972S965-S968 PolarHBondContact O-N 3.48Å; S968-L972 WeakPolarHBondContact O-CB 3.38Å; S968-L972 PolarHBondContact O-N 2.83Å
969L95.2Very high90.8Very high3 Ų336.4 Ų36.42%0.01620%0.197CC..Hα-helixtrans-63.6-44175.7177.8158000111.4F855 L906 L910 L958 L959 S965 F966 S967 M973F855-L969 HydrophobicContact CB-CB 4.37Å; F855-L969 HydrophobicContact CD2-CD1 3.76Å; F855-L969 HydrophobicContact CD2-CG 4.45Å; F855-L969 HydrophobicContact CE2-CD1 3.86Å; F855-L969 HydrophobicContact CG-CD1 4.35Å; L906-L969 HydrophobicContact CD2-CG 4.08Å; L910-L969 HydrophobicContact CD1-CD2 4.09Å; L910-L969 HydrophobicContact CD2-CD1 4.43Å; L910-L969 HydrophobicContact CD2-CD2 4.28Å; L958-L969 HydrophobicContact CB-CD1 4.46Å; L958-L969 HydrophobicContact CD1-CD1 4.46Å; L959-L969 HydrophobicContact CD2-CD2 4.04Å; S965-L969 PolarHBondContact O-N 3.26Å; S965-L969 VanDerWaalsContact O-N 3.16Å; F966-L969 PolarHBondContact O-N 3.49Å; S967-L969 VanDerWaalsContact C-N 3.32Å; S967-L969 PolarHBondContact O-N 3.42Å; L969-M973 PolarHBondContact O-N 3.29Å; L969-M973 VanDerWaalsContact O-N 3.09Å
970V95.7Very high90.4Very high9 Ų939 Ų396%0.05521%0.213CC..Hα-helixtrans-66.8-46.3178.2176.80000110.5L959 F966 S967 L972 M973 F974 V995 L999 L1013L959-V970 HydrophobicContact CD2-CG2 3.95Å; F966-V970 VanDerWaalsContact O-CG2 3.31Å; F966-V970 WeakPolarHBondContact O-CG2 3.38Å; F966-V970 PolarHBondContact O-N 2.9Å; S967-V970 PolarHBondContact O-N 3.29Å; V970-L972 VanDerWaalsContact C-N 3.34Å; V970-L972 PolarHBondContact O-N 3.3Å; V970-M973 PolarHBondContact O-N 3.36Å; V970-F974 HydrophobicContact CG1-CD2 4.05Å; V970-F974 HydrophobicContact CG1-CE2 4.23Å; V970-F974 WeakPolarHBondContact O-CD2 3.24Å; V970-F974 PolarHBondContact O-N 3.45Å; V970-V995 HydrophobicContact CG2-CG1 4.04Å; V970-L999 HydrophobicContact CG1-CD1 4.14Å; V970-L999 HydrophobicContact CG2-CD1 3.8Å; V970-L999 HydrophobicContact CG2-CD2 4.47Å; V970-L1013 HydrophobicContact CG1-CD1 4.16Å; V970-L1013 HydrophobicContact CG1-CD2 3.86Å
971L95.5Very high90.3Very high48 Ų4836.9 Ų36.925%0.25120%0.202SC..Hα-helixtrans-61.9-41.5177.9-70.2171.6000111.8Y859 S967 F974 H975Y859-L971 HydrophobicContact CD1-CB 4.44Å; Y859-L971 HydrophobicContact CD2-CB 4.02Å; Y859-L971 HydrophobicContact CE1-CB 4.03Å; Y859-L971 HydrophobicContact CE1-CD1 3.85Å; Y859-L971 HydrophobicContact CE2-CB 3.58Å; Y859-L971 HydrophobicContact CG-CB 4.43Å; S967-L971 WeakPolarHBondContact O-CB 3.45Å; S967-L971 VanDerWaalsContact O-CG 3.27Å; S967-L971 WeakPolarHBondContact O-CG 3.38Å; S967-L971 PolarHBondContact O-N 3.02Å; L971-F974 PolarHBondContact O-N 3.03Å; L971-H975 WeakPolarHBondContact O-CB 3.36Å; L971-H975 PolarHBondContact O-N 2.78Å
972L95.6Very high90.6Very high1 Ų131.5 Ų31.51%0.00518%0.181CC..Hα-helixtrans-57.4-49.6174175.363.1000111.8F855 C858 Y859 L862 V902 L906 S968 V970 F974 H975 M976F855-L972 HydrophobicContact CD1-CD2 3.9Å; C858-L972 HydrophobicContact CB-CD2 3.9Å; Y859-L972 HydrophobicContact CD2-CB 4.08Å; Y859-L972 HydrophobicContact CG-CB 4.44Å; L862-L972 HydrophobicContact CD1-CD1 3.93Å; V902-L972 HydrophobicContact CG1-CD1 4.29Å; V902-L972 HydrophobicContact CG1-CD2 3.8Å; V902-L972 HydrophobicContact CG1-CG 4.41Å; L906-L972 HydrophobicContact CD1-CD2 4.15Å; L906-L972 HydrophobicContact CD1-CG 4.13Å; L906-L972 HydrophobicContact CD2-CD2 4.44Å; S968-L972 WeakPolarHBondContact O-CB 3.38Å; S968-L972 PolarHBondContact O-N 2.83Å; V970-L972 VanDerWaalsContact C-N 3.34Å; V970-L972 PolarHBondContact O-N 3.3Å; L972-F974 PolarHBondContact O-N 3.11Å; L972-H975 PolarHBondContact O-N 3.31Å; L972-M976 HydrophobicContact CD1-CE 3.89Å; L972-M976 HydrophobicContact CG-CE 4.19Å; L972-M976 WeakPolarHBondContact O-CG 3.32Å; L972-M976 PolarHBondContact O-N 2.67Å; L972-M976 VanDerWaalsContact O-N 3.12Å
973M95.1Very high90.9Very high0 Ų025.4 Ų25.40%016%0.155CC..Hα-helixtrans-63.5-41.7-178.6-173.3-174.962.600112.4L906 L910 L969 V970 V988 L991 C992 V995L906-M973 HydrophobicContact CD1-CB 4.31Å; L910-M973 HydrophobicContact CD1-SD 4.15Å; L969-M973 PolarHBondContact O-N 3.29Å; L969-M973 VanDerWaalsContact O-N 3.09Å; V970-M973 PolarHBondContact O-N 3.36Å; M973-V988 HydrophobicContact CG-CB 3.8Å; M973-V988 HydrophobicContact CG-CG1 4.12Å; M973-L991 HydrophobicContact SD-CB 3.79Å; M973-C992 HydrophobicContact CE-CB 4.3Å; M973-V995 HydrophobicContact CE-CB 3.82Å; M973-V995 HydrophobicContact CE-CG1 3.85Å; M973-V995 HydrophobicContact CE-CG2 3.87Å; M973-V995 HydrophobicContact SD-CG2 3.98Å
974F95.7Very high91.4Very high0 Ų023.3 Ų23.30%014%0.144CC..Hα-helixtrans-77.4-32.6178.9-85.2-98.2000112.8V970 L971 L972 M976 L977 C992 V996 L1013 C1016 I1017 L1041V970-F974 HydrophobicContact CG1-CD2 4.05Å; V970-F974 HydrophobicContact CG1-CE2 4.23Å; V970-F974 WeakPolarHBondContact O-CD2 3.24Å; V970-F974 PolarHBondContact O-N 3.45Å; L971-F974 PolarHBondContact O-N 3.03Å; L972-F974 PolarHBondContact O-N 3.11Å; F974-M976 VanDerWaalsContact C-N 3.25Å; F974-M976 PolarHBondContact O-N 3.08Å; F974-L977 HydrophobicContact CD1-CD1 3.84Å; F974-L977 HydrophobicContact CE1-CD1 4.33Å; F974-L977 HydrophobicContact CG-CD1 4.45Å; F974-L977 VanDerWaalsContact O-CB 3.3Å; F974-L977 WeakPolarHBondContact O-CB 3.31Å; F974-L977 PolarHBondContact O-N 3.11Å; F974-L977 VanDerWaalsContact O-N 3.09Å; F974-C992 HydrophobicContact CE1-CB 4.38Å; F974-C992 HydrophobicContact CE2-CB 4.25Å; F974-C992 HydrophobicContact CZ-CB 3.88Å; F974-V996 HydrophobicContact CE2-CG2 4.19Å; F974-V996 HydrophobicContact CZ-CG2 3.83Å; F974-L1013 HydrophobicContact CB-CD2 3.95Å; F974-L1013 HydrophobicContact CD1-CB 3.92Å; F974-L1013 HydrophobicContact CD1-CD2 4.02Å; F974-L1013 HydrophobicContact CD1-CG 4.49Å; F974-L1013 WeakPolarHBondContact CD1-O 3.47Å; F974-L1013 HydrophobicContact CD2-CD2 3.64Å; F974-L1013 HydrophobicContact CE1-CB 3.79Å; F974-L1013 HydrophobicContact CE1-CD2 4.42Å; F974-L1013 HydrophobicContact CE1-CG 4.5Å; F974-L1013 HydrophobicContact CE2-CD1 4.19Å; F974-L1013 HydrophobicContact CE2-CD2 4.05Å; F974-L1013 HydrophobicContact CE2-CG 4.5Å; F974-L1013 HydrophobicContact CG-CB 4.39Å; F974-L1013 HydrophobicContact CG-CD2 3.6Å; F974-L1013 HydrophobicContact CG-CG 4.49Å; F974-L1013 HydrophobicContact CZ-CB 4.15Å; F974-L1013 HydrophobicContact CZ-CD1 4.24Å; F974-L1013 HydrophobicContact CZ-CD2 4.42Å; F974-L1013 HydrophobicContact CZ-CG 4.49Å; F974-C1016 HydrophobicContact CB-CB 4.13Å; F974-C1016 HydrophobicContact CD1-CB 4.25Å; F974-I1017 HydrophobicContact CE1-CD1 4.4Å; F974-I1017 HydrophobicContact CE1-CG1 4.24Å; F974-L1041 HydrophobicContact CE1-CD1 4Å; F974-L1041 HydrophobicContact CZ-CD1 4.08Å
975H94Very high92.3Very high41 Ų4118.3 Ų18.319%0.1911%0.11CC..Hα-helixtrans-61.1-36.4172.7-178.473.1000111.6Y859 L971 L972 L977 C978Y859-H975 HydrophobicContact CE2-CB 4.39Å; L971-H975 WeakPolarHBondContact O-CB 3.36Å; L971-H975 PolarHBondContact O-N 2.78Å; L972-H975 PolarHBondContact O-N 3.31Å; H975-L977 PolarHBondContact O-N 2.82Å; H975-L977 VanDerWaalsContact O-N 3.16Å; H975-C978 WeakPolarHBondContact O-CB 3.14Å; H975-C978 PolarHBondContact O-N 2.92Å
976M93.6Very high92.3Very high1 Ų119 Ų191%0.00511%0.112CC..G310 helixtrans-61-21.2174.7-74.8180177.800114.3L862 T899 V902 A903 L906 L972 F974 C978 C979 V985 V988L862-M976 HydrophobicContact CD1-CE 4.01Å; T899-M976 HydrophobicContact CG2-CE 4.21Å; T899-M976 HydrophobicContact CG2-CG 4.15Å; V902-M976 HydrophobicContact CB-CE 3.7Å; V902-M976 HydrophobicContact CG1-CE 3.46Å; V902-M976 VanDerWaalsContact CG1-CE 3.46Å; A903-M976 HydrophobicContact CB-CE 4.2Å; A903-M976 HydrophobicContact CB-SD 3.71Å; L906-M976 HydrophobicContact CD1-CE 4.05Å; L906-M976 HydrophobicContact CD1-SD 3.92Å; L972-M976 HydrophobicContact CD1-CE 3.89Å; L972-M976 HydrophobicContact CG-CE 4.19Å; L972-M976 WeakPolarHBondContact O-CG 3.32Å; L972-M976 PolarHBondContact O-N 2.67Å; L972-M976 VanDerWaalsContact O-N 3.12Å; F974-M976 VanDerWaalsContact C-N 3.25Å; F974-M976 PolarHBondContact O-N 3.08Å; M976-C978 PolarHBondContact O-N 2.93Å; M976-C979 PolarHBondContact O-N 3.39Å; M976-V985 WeakPolarHBondContact O-CG2 3.5Å; M976-V988 HydrophobicContact CB-CG2 4.04Å; M976-V988 HydrophobicContact SD-CG1 3.73Å
977L94.1Very high91.8Very high0 Ų018 Ų180%011%0.108CC..G310 helixtrans-69.6-20.2174-58.8176.7000112.5F974 H975 V985 V988 I1017 G1020 L1034 L1037F974-L977 HydrophobicContact CD1-CD1 3.84Å; F974-L977 HydrophobicContact CE1-CD1 4.33Å; F974-L977 HydrophobicContact CG-CD1 4.45Å; F974-L977 VanDerWaalsContact O-CB 3.3Å; F974-L977 WeakPolarHBondContact O-CB 3.31Å; F974-L977 PolarHBondContact O-N 3.11Å; F974-L977 VanDerWaalsContact O-N 3.09Å; H975-L977 PolarHBondContact O-N 2.82Å; H975-L977 VanDerWaalsContact O-N 3.16Å; L977-V985 HydrophobicContact CD2-CG1 3.96Å; L977-V988 HydrophobicContact CD2-CG2 3.76Å; L977-V988 HydrophobicContact CG-CG2 4.46Å; L977-I1017 HydrophobicContact CD1-CG1 4.14Å; L977-G1020 WeakPolarHBondContact O-CA 3.33Å; L977-L1034 HydrophobicContact CD2-CD2 4.32Å; L977-L1037 HydrophobicContact CD1-CD2 4.01Å
978C91.2Very high91.8Very high12 Ų1215.5 Ų15.58%0.0819%0.091CC..G310 helixtrans-96.4-7.4-179.4-51.40000112.6H975 M976 C1016 Q1019H975-C978 WeakPolarHBondContact O-CB 3.14Å; H975-C978 PolarHBondContact O-N 2.92Å; M976-C978 PolarHBondContact O-N 2.93Å; C978-C1016 PolarHBondContact SG-O 2.94Å; C978-C1016 VanDerWaalsContact SG-O 3.41Å; C978-Q1019 HydrophobicContact CB-CB 4.47Å; C978-Q1019 PolarHBondContact SG-OE1 3.38Å
979C87.6Confident91.6Very high0 Ų014.5 Ų14.50%08%0.084CC..SBendtrans-67.9146.1-179.3-67.80000110.8W866 M976 D981 H1024W866-C979 VanDerWaalsContact CD1-SG 3.6Å; M976-C979 PolarHBondContact O-N 3.39Å; C979-D981 PolarHBondContact O-N 3.38Å; C979-H1024 PolarHBondContact O-CE1 3.45Å; C979-H1024 PolarHBondContact O-NE2 2.86Å; C979-H1024 VanDerWaalsContact O-NE2 3.14Å
980P86.7Confident91.2Very high53 Ų5315 Ų1534%0.3449%0.087SC..SBendtrans-62.6-31.8178.9-20.932.9000113.5W866 F870 S982 H1024W866-P980 HydrophobicContact CE3-CG 4.09Å; W866-P980 HydrophobicContact CH2-CG 4.27Å; W866-P980 VanDerWaalsContact CZ3-CD 3.41Å; W866-P980 HydrophobicContact CZ3-CG 3.65Å; F870-P980 HydrophobicContact CE1-CG 3.83Å; F870-P980 HydrophobicContact CZ-CG 4Å; P980-S982 PolarHBondContact O-N 3.44Å; P980-H1024 PolarHBondContact O-CE1 3.31Å
981D87.5Confident91Very high15 Ų1515 Ų158%0.089%0.087CC..  trans-73.4125.1-179.9-171.4-4.5000111.9R900 C979 V983 P984 V985R900-D981 IonicContact CZ-OD1 3.45Å; R900-D981 IonicContact CZ-OD2 3.19Å; R900-D981 IonicContact NE-OD1 2.67Å; R900-D981 IonicContact NE-OD2 3.6Å; R900-D981 PolarHBondContact NE-OD2 3.21Å; R900-D981 IonicContact NH2-OD1 2.74Å; R900-D981 PolarHBondContact NH2-OD1 2.98Å; R900-D981 IonicContact NH2-OD2 2.69Å; R900-D981 PolarHBondContact NH2-OD2 3.16Å; C979-D981 PolarHBondContact O-N 3.38Å; D981-V983 PolarHBondContact OD1-N 2.93Å; D981-P984 HydrophobicContact CB-CG 4.29Å; D981-P984 VanDerWaalsContact CG-CD 3.46Å; D981-P984 WeakPolarHBondContact O-CD 3.32Å; D981-V985 VanDerWaalsContact O-CG2 3.28Å; D981-V985 WeakPolarHBondContact O-CG2 3.4Å
982S90.1Very high91Very high33 Ų3312.7 Ų12.723%0.2318%0.075CC..Hα-helixtrans-72.4-25.1-179.465.20000114.2P980 V985 I986P980-S982 PolarHBondContact O-N 3.44Å; S982-V985 PolarHBondContact O-N 3.47Å; S982-I986 VanDerWaalsContact O-CG1 3.28Å; S982-I986 WeakPolarHBondContact O-CG1 3.3Å; S982-I986 PolarHBondContact O-N 3.02Å
983V89.1Confident90.9Very high47 Ų4713.1 Ų13.129%0.2858%0.078SC..Hα-helixtrans-67.2-47.6-173.5178.50000112.6R900 D981 V985 I986 N987R900-V983 HydrophobicContact CG-CB 4.04Å; R900-V983 HydrophobicContact CG-CG1 3.95Å; D981-V983 PolarHBondContact OD1-N 2.93Å; V983-V985 VanDerWaalsContact C-N 3.31Å; V983-V985 PolarHBondContact O-N 3.31Å; V983-I986 PolarHBondContact O-N 3.43Å; V983-N987 PolarHBondContact O-N 2.9Å; V983-N987 PolarHBondContact O-ND2 3.48Å
984P91.2Very high90.8Very high0 Ų013.8 Ų13.80%08%0.082CC..Hα-helixtrans-57.4-42.9172.1-24.333.6000112.9T899 R900 A903 D981 I986 N987 V988T899-P984 HydrophobicContact CG2-CB 3.85Å; T899-P984 HydrophobicContact CG2-CG 3.63Å; R900-P984 HydrophobicContact CG-CG 3.95Å; A903-P984 HydrophobicContact CB-CB 3.91Å; D981-P984 HydrophobicContact CB-CG 4.29Å; D981-P984 VanDerWaalsContact CG-CD 3.46Å; D981-P984 WeakPolarHBondContact O-CD 3.32Å; P984-I986 VanDerWaalsContact C-N 3.33Å; P984-I986 PolarHBondContact O-N 3.06Å; P984-N987 WeakPolarHBondContact O-CB 3.44Å; P984-N987 PolarHBondContact O-N 3.16Å; P984-N987 VanDerWaalsContact O-N 3.08Å; P984-V988 WeakPolarHBondContact O-CG2 3.34Å; P984-V988 PolarHBondContact O-N 2.83Å
985V92.7Very high90.7Very high0 Ų013.8 Ų13.80%08%0.082CC..Hα-helixtrans-61-45.6-177.4-174.20000109.9M976 L977 D981 S982 V983 N987 V988 T989 H1024 L1030 L1034M976-V985 WeakPolarHBondContact O-CG2 3.5Å; L977-V985 HydrophobicContact CD2-CG1 3.96Å; D981-V985 VanDerWaalsContact O-CG2 3.28Å; D981-V985 WeakPolarHBondContact O-CG2 3.4Å; S982-V985 PolarHBondContact O-N 3.47Å; V983-V985 VanDerWaalsContact C-N 3.31Å; V983-V985 PolarHBondContact O-N 3.31Å; V985-N987 VanDerWaalsContact C-N 3.32Å; V985-N987 PolarHBondContact O-N 3.22Å; V985-V988 PolarHBondContact O-N 3.25Å; V985-T989 VanDerWaalsContact O-CB 3.28Å; V985-T989 WeakPolarHBondContact O-CB 3.45Å; V985-T989 PolarHBondContact O-N 2.96Å; V985-T989 PolarHBondContact O-OG1 2.7Å; V985-H1024 VanDerWaalsContact CG2-NE2 3.26Å; V985-H1024 WeakPolarHBondContact CG2-NE2 3.38Å; V985-L1030 HydrophobicContact CB-CD1 4.39Å; V985-L1030 HydrophobicContact CB-CD2 4.26Å; V985-L1030 HydrophobicContact CG1-CD1 3.86Å; V985-L1030 HydrophobicContact CG1-CD2 4.14Å; V985-L1030 HydrophobicContact CG1-CG 4.4Å; V985-L1034 HydrophobicContact CG1-CD2 4.24Å
986I86.1Confident90.8Very high27 Ų2711.8 Ų11.814%0.1387%0.073CC..Hα-helixtrans-54.4-50.5174.1-72.2166.1000110.1V940 M942 M945 S982 V983 P984 V988 L1030V940-I986 HydrophobicContact CB-CG2 4.45Å; M942-I986 HydrophobicContact CE-CD1 3.92Å; M942-I986 HydrophobicContact CE-CG1 3.81Å; M942-I986 HydrophobicContact CE-CG2 4.39Å; M942-I986 HydrophobicContact SD-CB 4.17Å; M942-I986 HydrophobicContact SD-CD1 3.78Å; M942-I986 HydrophobicContact SD-CG1 3.78Å; M942-I986 HydrophobicContact SD-CG2 3.31Å; M942-I986 WeakPolarHBondContact SD-CG2 3.36Å; M945-I986 HydrophobicContact CE-CG2 4.12Å; M945-I986 WeakPolarHBondContact CE-O 3.49Å; M945-I986 HydrophobicContact SD-CG2 3.62Å; S982-I986 VanDerWaalsContact O-CG1 3.28Å; S982-I986 WeakPolarHBondContact O-CG1 3.3Å; S982-I986 PolarHBondContact O-N 3.02Å; V983-I986 PolarHBondContact O-N 3.43Å; P984-I986 VanDerWaalsContact C-N 3.33Å; P984-I986 PolarHBondContact O-N 3.06Å; I986-V988 PolarHBondContact O-N 3.24Å; I986-L1030 HydrophobicContact CG1-CD1 3.91Å
987N84.1Confident90.8Very high14 Ų1415.1 Ų15.18%0.0759%0.093CC..Hα-helixtrans-60.5-40.9-177.3-84.4-43.3000113.5A903 R907 V983 P984 V985A903-N987 HydrophobicContact CB-CB 4Å; R907-N987 PolarHBondContact NH1-O 3Å; V983-N987 PolarHBondContact O-N 2.9Å; V983-N987 PolarHBondContact O-ND2 3.48Å; P984-N987 WeakPolarHBondContact O-CB 3.44Å; P984-N987 PolarHBondContact O-N 3.16Å; P984-N987 VanDerWaalsContact O-N 3.08Å; V985-N987 VanDerWaalsContact C-N 3.32Å; V985-N987 PolarHBondContact O-N 3.22Å
988V91.8Very high90.9Very high0 Ų016.4 Ų16.40%010%0.099CC..Hα-helixtrans-91.9-26.4-174-58.50000114.7A903 L906 M973 M976 L977 P984 V985 I986 S990 L991 C992A903-V988 HydrophobicContact CB-CG1 4.12Å; L906-V988 HydrophobicContact CD1-CG1 4.28Å; M973-V988 HydrophobicContact CG-CB 3.8Å; M973-V988 HydrophobicContact CG-CG1 4.12Å; M976-V988 HydrophobicContact CB-CG2 4.04Å; M976-V988 HydrophobicContact SD-CG1 3.73Å; L977-V988 HydrophobicContact CD2-CG2 3.76Å; L977-V988 HydrophobicContact CG-CG2 4.46Å; P984-V988 WeakPolarHBondContact O-CG2 3.34Å; P984-V988 PolarHBondContact O-N 2.83Å; V985-V988 PolarHBondContact O-N 3.25Å; I986-V988 PolarHBondContact O-N 3.24Å; V988-S990 PolarHBondContact O-N 2.77Å; V988-S990 VanDerWaalsContact O-N 3.12Å; V988-L991 WeakPolarHBondContact O-CA 3.29Å; V988-L991 WeakPolarHBondContact O-CB 3.27Å; V988-L991 PolarHBondContact O-N 3.07Å; V988-C992 PolarHBondContact O-N 3.45Å; V988-C992 PolarHBondContact O-SG 3.43Å; V988-C992 VanDerWaalsContact O-SG 3.34Å
989T91.3Very high91Very high1 Ų115.9 Ų15.91%0.00610%0.096CC..Hα-helixtrans-54.4-40-175.5-66.10000112.4I947 V985 L991 K1033 L1037I947-T989 HydrophobicContact CD1-CG2 4.27Å; V985-T989 VanDerWaalsContact O-CB 3.28Å; V985-T989 WeakPolarHBondContact O-CB 3.45Å; V985-T989 PolarHBondContact O-N 2.96Å; V985-T989 PolarHBondContact O-OG1 2.7Å; T989-L991 VanDerWaalsContact C-N 3.26Å; T989-L991 PolarHBondContact O-N 3.41Å; T989-K1033 HydrophobicContact CG2-CB 4.08Å; T989-L1037 HydrophobicContact CG2-CB 4.3Å; T989-L1037 HydrophobicContact CG2-CD2 4.09Å
990S86.4Confident91.3Very high13 Ų1317.7 Ų17.79%0.09111%0.105CC..Hα-helixtrans-68.8-19.7177.760.60000114.6R907 M945 V988 P994R907-S990 PolarHBondContact NH1-OG 2.72Å; M945-S990 WeakPolarHBondContact CE-OG 3.27Å; V988-S990 PolarHBondContact O-N 2.77Å; V988-S990 VanDerWaalsContact O-N 3.12Å; S990-P994 WeakPolarHBondContact O-CD 3.32Å
991L91.7Very high91.6Very high8 Ų821.4 Ų21.44%0.04212%0.122CC..Hα-helixtrans-91.5-26.3-177.6-53.5173000112.4R907 L910 A911 M973 V988 T989 C993 P994 V995R907-L991 HydrophobicContact CB-CD1 4.17Å; R907-L991 HydrophobicContact CG-CD1 4.5Å; L910-L991 HydrophobicContact CB-CD1 4.35Å; L910-L991 HydrophobicContact CB-CD2 4.37Å; L910-L991 HydrophobicContact CD1-CD1 4.38Å; A911-L991 HydrophobicContact CB-CD2 3.86Å; M973-L991 HydrophobicContact SD-CB 3.79Å; V988-L991 WeakPolarHBondContact O-CA 3.29Å; V988-L991 WeakPolarHBondContact O-CB 3.27Å; V988-L991 PolarHBondContact O-N 3.07Å; T989-L991 VanDerWaalsContact C-N 3.26Å; T989-L991 PolarHBondContact O-N 3.41Å; L991-C993 PolarHBondContact O-N 3.26Å; L991-P994 VanDerWaalsContact O-CD 3.26Å; L991-P994 WeakPolarHBondContact O-CD 3.34Å; L991-V995 WeakPolarHBondContact O-CB 3.02Å; L991-V995 VanDerWaalsContact O-CG2 3.28Å; L991-V995 WeakPolarHBondContact O-CG2 3.33Å; L991-V995 PolarHBondContact O-N 3.42Å
992C94.7Very high91.9Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-56.7-46-174.9-650000113.3M973 F974 V988 V996 L1037M973-C992 HydrophobicContact CE-CB 4.3Å; F974-C992 HydrophobicContact CE1-CB 4.38Å; F974-C992 HydrophobicContact CE2-CB 4.25Å; F974-C992 HydrophobicContact CZ-CB 3.88Å; V988-C992 PolarHBondContact O-N 3.45Å; V988-C992 PolarHBondContact O-SG 3.43Å; V988-C992 VanDerWaalsContact O-SG 3.34Å; C992-V996 WeakPolarHBondContact O-CG2 3.18Å; C992-V996 PolarHBondContact O-N 3.3Å; C992-L1037 HydrophobicContact CB-CD1 3.68Å; C992-L1037 HydrophobicContact CB-CD2 3.82Å; C992-L1037 HydrophobicContact CB-CG 4.4Å
993C93.8Very high92.1Very high10 Ų1031.5 Ų31.57%0.06816%0.161CC..Hα-helixtrans-66.9-50.9-179.1179.10000112.3I947 L991 V995 V996 V997 L1037I947-C993 HydrophobicContact CG2-CB 3.9Å; L991-C993 PolarHBondContact O-N 3.26Å; C993-V995 VanDerWaalsContact C-N 3.32Å; C993-V995 PolarHBondContact O-N 3.17Å; C993-V996 PolarHBondContact O-N 2.85Å; C993-V996 VanDerWaalsContact O-N 3.17Å; C993-V997 WeakPolarHBondContact O-CG2 3.48Å; C993-V997 PolarHBondContact O-N 3.46Å; C993-L1037 HydrophobicContact CB-CD1 4.15Å
994P92.9Very high92.3Very high14 Ų1430.7 Ų30.79%0.09116%0.155CC..Hα-helixtrans-56.1-40.7174.4-2734.2000114.2G949 L951 S990 L991 V997 E998G949-P994 WeakPolarHBondContact O-CB 3.48Å; G949-P994 WeakPolarHBondContact O-CG 3.35Å; L951-P994 HydrophobicContact CD2-CB 3.85Å; L951-P994 HydrophobicContact CG-CB 3.86Å; S990-P994 WeakPolarHBondContact O-CD 3.32Å; L991-P994 VanDerWaalsContact O-CD 3.26Å; L991-P994 WeakPolarHBondContact O-CD 3.34Å; P994-V997 PolarHBondContact O-N 3.08Å; P994-E998 PolarHBondContact O-N 3.26Å; P994-E998 VanDerWaalsContact O-N 3.13Å
995V95.1Very high92.4Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-61.6-46.3175.4169.70000111.4L910 L951 L959 V970 M973 L991 C993 V997 E998 L999L910-V995 HydrophobicContact CD1-CG2 4.19Å; L951-V995 HydrophobicContact CD2-CG2 3.87Å; L959-V995 HydrophobicContact CD1-CB 4.39Å; L959-V995 HydrophobicContact CD1-CG1 4Å; L959-V995 HydrophobicContact CD1-CG2 4.25Å; L959-V995 HydrophobicContact CD2-CG1 4.25Å; V970-V995 HydrophobicContact CG2-CG1 4.04Å; M973-V995 HydrophobicContact CE-CB 3.82Å; M973-V995 HydrophobicContact CE-CG1 3.85Å; M973-V995 HydrophobicContact CE-CG2 3.87Å; M973-V995 HydrophobicContact SD-CG2 3.98Å; L991-V995 WeakPolarHBondContact O-CB 3.02Å; L991-V995 VanDerWaalsContact O-CG2 3.28Å; L991-V995 WeakPolarHBondContact O-CG2 3.33Å; L991-V995 PolarHBondContact O-N 3.42Å; C993-V995 VanDerWaalsContact C-N 3.32Å; C993-V995 PolarHBondContact O-N 3.17Å; V995-V997 VanDerWaalsContact C-N 3.35Å; V995-V997 PolarHBondContact O-N 3.27Å; V995-E998 PolarHBondContact O-N 3.5Å; V995-L999 HydrophobicContact CG1-CD1 3.93Å; V995-L999 HydrophobicContact CG1-CG 4.36Å; V995-L999 VanDerWaalsContact O-CG 3.3Å; V995-L999 WeakPolarHBondContact O-CG 3.43Å; V995-L999 PolarHBondContact O-N 3.32Å
996V95.2Very high92.4Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-65.9-38.2179.6168.70000111.9F974 C992 C993 E998 L999 L1000 L1005 L1013 L1041 L1044 F1045F974-V996 HydrophobicContact CE2-CG2 4.19Å; F974-V996 HydrophobicContact CZ-CG2 3.83Å; C992-V996 WeakPolarHBondContact O-CG2 3.18Å; C992-V996 PolarHBondContact O-N 3.3Å; C993-V996 PolarHBondContact O-N 2.85Å; C993-V996 VanDerWaalsContact O-N 3.17Å; V996-E998 VanDerWaalsContact C-N 3.33Å; V996-E998 PolarHBondContact O-N 3.08Å; V996-L999 PolarHBondContact O-N 2.82Å; V996-L1000 HydrophobicContact CG1-CD1 3.98Å; V996-L1000 HydrophobicContact CG1-CG 4.21Å; V996-L1000 WeakPolarHBondContact O-CB 3.28Å; V996-L1000 WeakPolarHBondContact O-CG 3.42Å; V996-L1000 PolarHBondContact O-N 3.42Å; V996-L1005 HydrophobicContact CG1-CD1 4.1Å; V996-L1013 HydrophobicContact CG2-CD1 4.33Å; V996-L1041 HydrophobicContact CB-CD2 3.58Å; V996-L1041 HydrophobicContact CG1-CD2 3.5Å; V996-L1041 HydrophobicContact CG2-CD2 3.59Å; V996-L1044 HydrophobicContact CG1-CD1 4.35Å; V996-F1045 HydrophobicContact CG1-CD1 4.3Å; V996-F1045 HydrophobicContact CG1-CE1 3.37Å; V996-F1045 HydrophobicContact CG1-CZ 3.73Å; V996-F1045 HydrophobicContact CG2-CZ 4.28Å
997V94.3Very high92.7Very high70 Ų7037 Ų3742%0.42419%0.189SC..Hα-helixtrans-58-47.4174.6171.10000110.8C993 P994 V995 L999 L1000 D1001 L1044C993-V997 WeakPolarHBondContact O-CG2 3.48Å; C993-V997 PolarHBondContact O-N 3.46Å; P994-V997 PolarHBondContact O-N 3.08Å; V995-V997 VanDerWaalsContact C-N 3.35Å; V995-V997 PolarHBondContact O-N 3.27Å; V997-L999 PolarHBondContact O-N 2.89Å; V997-L1000 PolarHBondContact O-N 3.27Å; V997-D1001 PolarHBondContact O-N 3.45Å; V997-L1044 HydrophobicContact CG2-CD1 3.83Å; V997-L1044 HydrophobicContact CG2-CD2 3.95Å
998E94.7Very high93.3Very high27 Ų2740 Ų4013%0.12621%0.21CC..Hα-helixtrans-63.2-41.1178.1-173.475.7-164.300112.3L951 K956 L959 P994 V995 V996 D1001 K1002L951-E998 HydrophobicContact CD1-CB 3.62Å; L951-E998 HydrophobicContact CD1-CG 3.93Å; K956-E998 WeakPolarHBondContact CE-OE2 3.35Å; L959-E998 HydrophobicContact CB-CG 4.36Å; L959-E998 HydrophobicContact CD1-CB 4.17Å; L959-E998 HydrophobicContact CD1-CG 4.02Å; P994-E998 PolarHBondContact O-N 3.26Å; P994-E998 VanDerWaalsContact O-N 3.13Å; V995-E998 PolarHBondContact O-N 3.5Å; V996-E998 VanDerWaalsContact C-N 3.33Å; V996-E998 PolarHBondContact O-N 3.08Å; E998-D1001 PolarHBondContact O-N 2.96Å; E998-K1002 HydrophobicContact CG-CD 4.34Å; E998-K1002 WeakPolarHBondContact O-CB 3.41Å; E998-K1002 WeakPolarHBondContact O-CG 3.18Å; E998-K1002 PolarHBondContact O-N 2.62Å; E998-K1002 WeakPolarHBondContact OE1-CE 3.41Å; E998-K1002 IonicContact OE1-NZ 3.47Å; E998-K1002 PolarHBondContact OE1-NZ 3.36Å
999L94.5Very high93.4Very high1 Ų142.3 Ų42.31%0.00523%0.226CC..Hα-helixtrans-66.2-37.8177.4-69.5171.2000112.7L959 F966 V970 V995 V996 V997 K1002 K1003 L1004 L1005L959-L999 HydrophobicContact CD2-CD2 4.29Å; F966-L999 HydrophobicContact CD2-CD2 3.94Å; F966-L999 HydrophobicContact CE2-CD2 3.97Å; V970-L999 HydrophobicContact CG1-CD1 4.14Å; V970-L999 HydrophobicContact CG2-CD1 3.8Å; V970-L999 HydrophobicContact CG2-CD2 4.47Å; V995-L999 HydrophobicContact CG1-CD1 3.93Å; V995-L999 HydrophobicContact CG1-CG 4.36Å; V995-L999 VanDerWaalsContact O-CG 3.3Å; V995-L999 WeakPolarHBondContact O-CG 3.43Å; V995-L999 PolarHBondContact O-N 3.32Å; V996-L999 PolarHBondContact O-N 2.82Å; V997-L999 PolarHBondContact O-N 2.89Å; L999-K1002 CarbonylContact O-C 3.48Å; L999-K1003 PolarHBondContact O-N 3.33Å; L999-L1004 HydrophobicContact CD2-CB 3.89Å; L999-L1004 HydrophobicContact CD2-CD1 4.04Å; L999-L1004 PolarHBondContact O-N 3.35Å; L999-L1005 HydrophobicContact CB-CD1 3.62Å; L999-L1005 HydrophobicContact CB-CG 3.82Å; L999-L1005 HydrophobicContact CD1-CD1 4.15Å; L999-L1005 HydrophobicContact CD1-CD2 4.3Å; L999-L1005 HydrophobicContact CD1-CG 4.18Å
1000L94.5Very high93.6Very high39 Ų3942.3 Ų42.320%0.20423%0.225CC..Hα-helixtrans-67.1-43.7175.5-73.9175.1000111.3V996 V997 K1002 K1003 L1005 L1044 F1045 P1048 F1049V996-L1000 HydrophobicContact CG1-CD1 3.98Å; V996-L1000 HydrophobicContact CG1-CG 4.21Å; V996-L1000 WeakPolarHBondContact O-CB 3.28Å; V996-L1000 WeakPolarHBondContact O-CG 3.42Å; V996-L1000 PolarHBondContact O-N 3.42Å; V997-L1000 PolarHBondContact O-N 3.27Å; L1000-K1002 VanDerWaalsContact C-N 3.3Å; L1000-K1002 PolarHBondContact O-N 3.15Å; L1000-K1003 PolarHBondContact O-N 2.9Å; L1000-L1005 HydrophobicContact CD2-CB 4.38Å; L1000-L1005 HydrophobicContact CD2-CD1 3.96Å; L1000-L1005 HydrophobicContact CG-CD1 4.03Å; L1000-L1044 HydrophobicContact CD1-CB 4.09Å; L1000-F1045 HydrophobicContact CD1-CD1 4.44Å; L1000-P1048 HydrophobicContact CD2-CB 4.31Å; L1000-P1048 HydrophobicContact CD2-CG 3.82Å; L1000-F1049 HydrophobicContact CD2-CE2 3.68Å; L1000-F1049 HydrophobicContact CD2-CZ 4.27Å
1001D93Very high94Very high131 Ų13144.8 Ų44.870%0.70123%0.233SC*.Hα-helixtrans-60.7-42.1177.4-167.652.1000111.2V997 E998 K1003V997-D1001 PolarHBondContact O-N 3.45Å; E998-D1001 PolarHBondContact O-N 2.96Å; D1001-K1003 VanDerWaalsContact C-N 3.29Å; D1001-K1003 PolarHBondContact O-N 3.48Å
1002K93Very high94.3Very high73 Ų7348.6 Ų48.632%0.31725%0.25SS..THydrogen-bonded Turntrans-79.7-2.4175.2-70.3176.6169.6155.10114.9K956 L959 E998 L999 L1000 L1004K956-K1002 PolarHBondContact O-NZ 2.59Å; L959-K1002 WeakPolarHBondContact O-CD 3.49Å; L959-K1002 WeakPolarHBondContact O-CE 3.42Å; L959-K1002 PolarHBondContact O-NZ 2.89Å; E998-K1002 HydrophobicContact CG-CD 4.34Å; E998-K1002 WeakPolarHBondContact O-CB 3.41Å; E998-K1002 WeakPolarHBondContact O-CG 3.18Å; E998-K1002 PolarHBondContact O-N 2.62Å; E998-K1002 WeakPolarHBondContact OE1-CE 3.41Å; E998-K1002 IonicContact OE1-NZ 3.47Å; E998-K1002 PolarHBondContact OE1-NZ 3.36Å; L999-K1002 CarbonylContact O-C 3.48Å; L1000-K1002 VanDerWaalsContact C-N 3.3Å; L1000-K1002 PolarHBondContact O-N 3.15Å; K1002-L1004 VanDerWaalsContact C-N 3.28Å; K1002-L1004 HydrophobicContact CB-CD1 3.84Å; K1002-L1004 HydrophobicContact CB-CG 3.77Å; K1002-L1004 HydrophobicContact CD-CD1 4.16Å; K1002-L1004 PolarHBondContact O-N 3.08Å
1003K93.4Very high94.4Very high186 Ų18648.8 Ų48.881%0.80925%0.251SS*.THydrogen-bonded Turntrans5538.6-177.3-56.1179.9-179.8177.80113.9L999 L1000 D1001L999-K1003 PolarHBondContact O-N 3.33Å; L1000-K1003 PolarHBondContact O-N 2.9Å; D1001-K1003 VanDerWaalsContact C-N 3.29Å; D1001-K1003 PolarHBondContact O-N 3.48Å
1004L93.2Very high94.5Very high31 Ų3148.3 Ų48.316%0.16225%0.248CC..  trans-94.11.1-179.9-61.4177.7000113.6E961 F966 L999 K1002E961-L1004 HydrophobicContact CB-CD2 3.7Å; E961-L1004 HydrophobicContact CG-CD2 3.83Å; F966-L1004 HydrophobicContact CE2-CB 4.1Å; F966-L1004 HydrophobicContact CE2-CD1 4.32Å; F966-L1004 HydrophobicContact CZ-CB 4.13Å; F966-L1004 HydrophobicContact CZ-CD1 4.37Å; F966-L1004 HydrophobicContact CZ-CD2 4.48Å; L999-L1004 HydrophobicContact CD2-CB 3.89Å; L999-L1004 HydrophobicContact CD2-CD1 4.04Å; L999-L1004 PolarHBondContact O-N 3.35Å; K1002-L1004 VanDerWaalsContact C-N 3.28Å; K1002-L1004 HydrophobicContact CB-CD1 3.84Å; K1002-L1004 HydrophobicContact CB-CG 3.77Å; K1002-L1004 HydrophobicContact CD-CD1 4.16Å; K1002-L1004 PolarHBondContact O-N 3.08Å
1005L93.4Very high94.6Very high25 Ų2549.5 Ų49.513%0.13126%0.257CS..  trans-105.5144.6177-78.8164.7000111.3V996 L999 L1000 L1013 F1045 F1049V996-L1005 HydrophobicContact CG1-CD1 4.1Å; L999-L1005 HydrophobicContact CB-CD1 3.62Å; L999-L1005 HydrophobicContact CB-CG 3.82Å; L999-L1005 HydrophobicContact CD1-CD1 4.15Å; L999-L1005 HydrophobicContact CD1-CD2 4.3Å; L999-L1005 HydrophobicContact CD1-CG 4.18Å; L1000-L1005 HydrophobicContact CD2-CB 4.38Å; L1000-L1005 HydrophobicContact CD2-CD1 3.96Å; L1000-L1005 HydrophobicContact CG-CD1 4.03Å; L1005-L1013 HydrophobicContact CD2-CD1 3.82Å; L1005-F1045 HydrophobicContact CD1-CE1 4Å; L1005-F1049 HydrophobicContact CB-CE2 3.98Å; L1005-F1049 HydrophobicContact CB-CZ 3.85Å; L1005-F1049 WeakPolarHBondContact O-CZ 3.48Å
1006D93.6Very high94.7Very high80 Ų8049.8 Ų49.843%0.42826%0.258SS..  trans-122.6173.4169.366.36.7000111.1S1009 A1010D1006-S1009 PolarHBondContact O-N 3.16Å; D1006-S1009 WeakPolarHBondContact OD1-CB 3.27Å; D1006-S1009 PolarHBondContact OD1-N 3.1Å; D1006-S1009 PolarHBondContact OD1-OG 3.27Å; D1006-A1010 PolarHBondContact O-N 2.92Å
1007D92.9Very high94.7Very high53 Ų5349.8 Ų49.828%0.28326%0.258SS..Hα-helixtrans-63.7-40.1-175.1-172.6-113.6000113.1R1011 F1049D1007-R1011 VanDerWaalsContact CG-NH1 3.32Å; D1007-R1011 WeakPolarHBondContact O-CG 3.43Å; D1007-R1011 PolarHBondContact O-N 3.44Å; D1007-R1011 VanDerWaalsContact O-N 3.17Å; D1007-R1011 PolarHBondContact O-NH1 3.44Å; D1007-R1011 IonicContact OD1-CZ 2.63Å; D1007-R1011 IonicContact OD1-NH1 3.55Å; D1007-R1011 PolarHBondContact OD1-NH1 3.42Å; D1007-R1011 IonicContact OD1-NH2 2.84Å; D1007-R1011 PolarHBondContact OD1-NH2 3.17Å; D1007-R1011 IonicContact OD2-NH2 2.98Å; D1007-F1049 HydrophobicContact CB-CD1 4.03Å
1008P95.5Very high94.7Very high79 Ų7946.7 Ų46.751%0.51324%0.24SC..Hα-helixtrans-60.9-44.2169.4-2434000113.9R1011 H1012P1008-R1011 PolarHBondContact O-N 2.87Å; P1008-H1012 PolarHBondContact O-N 3.23Å
1009S94Very high94.6Very high48 Ų4850 Ų5034%0.33626%0.255SS..Hα-helixtrans-63-45.1178.9-59.30000110.8D1006 R1011 H1012 L1013D1006-S1009 PolarHBondContact O-N 3.16Å; D1006-S1009 WeakPolarHBondContact OD1-CB 3.27Å; D1006-S1009 PolarHBondContact OD1-N 3.1Å; D1006-S1009 PolarHBondContact OD1-OG 3.27Å; S1009-R1011 VanDerWaalsContact C-N 3.31Å; S1009-R1011 PolarHBondContact O-N 3.26Å; S1009-H1012 PolarHBondContact O-N 2.95Å; S1009-H1012 VanDerWaalsContact O-N 3.13Å; S1009-L1013 VanDerWaalsContact O-CG 3.32Å; S1009-L1013 WeakPolarHBondContact O-CG 3.42Å; S1009-L1013 PolarHBondContact O-N 3.22Å
1010A95.3Very high94.5Very high0 Ų049.9 Ų49.90%026%0.255CS..Hα-helixtrans-57.6-42.4176.700000112.1D1006 Y1014 F1045 F1049 A1052D1006-A1010 PolarHBondContact O-N 2.92Å; A1010-Y1014 VanDerWaalsContact O-CB 3.25Å; A1010-Y1014 WeakPolarHBondContact O-CB 3.24Å; A1010-Y1014 PolarHBondContact O-N 3.11Å; A1010-F1045 HydrophobicContact CB-CD1 4.34Å; A1010-F1045 HydrophobicContact CB-CD2 4.23Å; A1010-F1045 HydrophobicContact CB-CE1 4.36Å; A1010-F1045 HydrophobicContact CB-CE2 4.25Å; A1010-F1045 HydrophobicContact CB-CG 4.28Å; A1010-F1045 HydrophobicContact CB-CZ 4.32Å; A1010-F1049 HydrophobicContact CB-CB 4.28Å; A1010-F1049 HydrophobicContact CB-CD2 3.53Å; A1010-F1049 HydrophobicContact CB-CE2 4.02Å; A1010-F1049 HydrophobicContact CB-CG 3.94Å; A1010-A1052 HydrophobicContact CB-CB 4.05Å
1011R96.4Very high94.4Very high65 Ų6548 Ų4825%0.24525%0.245CC..Hα-helixtrans-60.8-46.3174.1-71.9-170-165.578.1-0.9112.1D1007 P1008 S1009 Y1014 S1015 A1052 E1055 V1056D1007-R1011 VanDerWaalsContact CG-NH1 3.32Å; D1007-R1011 WeakPolarHBondContact O-CG 3.43Å; D1007-R1011 PolarHBondContact O-N 3.44Å; D1007-R1011 VanDerWaalsContact O-N 3.17Å; D1007-R1011 PolarHBondContact O-NH1 3.44Å; D1007-R1011 IonicContact OD1-CZ 2.63Å; D1007-R1011 IonicContact OD1-NH1 3.55Å; D1007-R1011 PolarHBondContact OD1-NH1 3.42Å; D1007-R1011 IonicContact OD1-NH2 2.84Å; D1007-R1011 PolarHBondContact OD1-NH2 3.17Å; D1007-R1011 IonicContact OD2-NH2 2.98Å; P1008-R1011 PolarHBondContact O-N 2.87Å; S1009-R1011 VanDerWaalsContact C-N 3.31Å; S1009-R1011 PolarHBondContact O-N 3.26Å; R1011-Y1014 PolarHBondContact O-N 2.98Å; R1011-S1015 WeakPolarHBondContact O-CB 3.31Å; R1011-S1015 PolarHBondContact O-N 2.85Å; R1011-A1052 HydrophobicContact CG-CB 3.79Å; R1011-E1055 IonicContact CZ-OE2 3.79Å; R1011-E1055 IonicContact NE-OE2 2.72Å; R1011-E1055 PolarHBondContact NE-OE2 3.49Å; R1011-E1055 IonicContact NH2-OE2 3.15Å; R1011-E1055 PolarHBondContact NH2-OE2 2.97Å; R1011-V1056 HydrophobicContact CB-CG2 3.76Å; R1011-V1056 HydrophobicContact CG-CG2 3.89Å
1012H96.2Very high94.2Very high88 Ų8846.7 Ų46.741%0.40723%0.234SC..Hα-helixtrans-63.6-50.8-178.5-17868.4000111.9P1008 S1009 Y1014 S1015 C1016P1008-H1012 PolarHBondContact O-N 3.23Å; S1009-H1012 PolarHBondContact O-N 2.95Å; S1009-H1012 VanDerWaalsContact O-N 3.13Å; H1012-Y1014 VanDerWaalsContact C-N 3.26Å; H1012-Y1014 PolarHBondContact O-N 2.66Å; H1012-S1015 WeakPolarHBondContact O-CB 3.37Å; H1012-S1015 PolarHBondContact O-N 3.36Å; H1012-S1015 VanDerWaalsContact O-N 3.07Å; H1012-C1016 PolarHBondContact O-N 2.66Å; H1012-C1016 PolarHBondContact O-SG 2.77Å
1013L96.8Very high94Very high4 Ų447.3 Ų47.32%0.02124%0.238CC..Hα-helixtrans-59-40.2178.5-61.3-175.9000111.5V970 F974 V996 L1005 S1009 C1016 I1017 F1045V970-L1013 HydrophobicContact CG1-CD1 4.16Å; V970-L1013 HydrophobicContact CG1-CD2 3.86Å; F974-L1013 HydrophobicContact CB-CD2 3.95Å; F974-L1013 HydrophobicContact CD1-CB 3.92Å; F974-L1013 HydrophobicContact CD1-CD2 4.02Å; F974-L1013 HydrophobicContact CD1-CG 4.49Å; F974-L1013 WeakPolarHBondContact CD1-O 3.47Å; F974-L1013 HydrophobicContact CD2-CD2 3.64Å; F974-L1013 HydrophobicContact CE1-CB 3.79Å; F974-L1013 HydrophobicContact CE1-CD2 4.42Å; F974-L1013 HydrophobicContact CE1-CG 4.5Å; F974-L1013 HydrophobicContact CE2-CD1 4.19Å; F974-L1013 HydrophobicContact CE2-CD2 4.05Å; F974-L1013 HydrophobicContact CE2-CG 4.5Å; F974-L1013 HydrophobicContact CG-CB 4.39Å; F974-L1013 HydrophobicContact CG-CD2 3.6Å; F974-L1013 HydrophobicContact CG-CG 4.49Å; F974-L1013 HydrophobicContact CZ-CB 4.15Å; F974-L1013 HydrophobicContact CZ-CD1 4.24Å; F974-L1013 HydrophobicContact CZ-CD2 4.42Å; F974-L1013 HydrophobicContact CZ-CG 4.49Å; V996-L1013 HydrophobicContact CG2-CD1 4.33Å; L1005-L1013 HydrophobicContact CD2-CD1 3.82Å; S1009-L1013 VanDerWaalsContact O-CG 3.32Å; S1009-L1013 WeakPolarHBondContact O-CG 3.42Å; S1009-L1013 PolarHBondContact O-N 3.22Å; L1013-C1016 PolarHBondContact O-N 3.36Å; L1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; L1013-I1017 PolarHBondContact O-N 3.45Å; L1013-F1045 HydrophobicContact CD1-CZ 4.44Å
1014Y96.8Very high93.7Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-67.8-37.6177.1-157.2-101000112.2A1010 R1011 H1012 C1016 I1017 L1018 G1038 L1041 Y1042 F1045 C1053 V1056 L1057 F1094A1010-Y1014 VanDerWaalsContact O-CB 3.25Å; A1010-Y1014 WeakPolarHBondContact O-CB 3.24Å; A1010-Y1014 PolarHBondContact O-N 3.11Å; R1011-Y1014 PolarHBondContact O-N 2.98Å; H1012-Y1014 VanDerWaalsContact C-N 3.26Å; H1012-Y1014 PolarHBondContact O-N 2.66Å; Y1014-C1016 PolarHBondContact O-N 3.43Å; Y1014-I1017 HydrophobicContact CD2-CD1 4.03Å; Y1014-I1017 HydrophobicContact CE2-CD1 4.48Å; Y1014-I1017 PolarHBondContact O-N 3.48Å; Y1014-L1018 HydrophobicContact CD1-CD1 4.03Å; Y1014-L1018 HydrophobicContact CD1-CG 4.43Å; Y1014-L1018 HydrophobicContact CE1-CD1 3.97Å; Y1014-L1018 HydrophobicContact CE1-CD2 4.41Å; Y1014-L1018 HydrophobicContact CE1-CG 4.35Å; Y1014-L1018 PolarHBondContact O-N 3.29Å; Y1014-G1038 WeakPolarHBondContact CE2-O 3.35Å; Y1014-G1038 PolarHBondContact OH-O 3.07Å; Y1014-L1041 HydrophobicContact CD2-CB 4.28Å; Y1014-L1041 HydrophobicContact CE2-CB 4.34Å; Y1014-Y1042 HydrophobicContact CE2-CD2 4.49Å; Y1014-Y1042 AromaticContact CZ-CD2 3.96Å; Y1014-Y1042 WeakPolarHBondContact OH-CD2 3.44Å; Y1014-F1045 HydrophobicContact CD2-CD2 4.28Å; Y1014-F1045 HydrophobicContact CD2-CE2 4.49Å; Y1014-C1053 HydrophobicContact CD1-CB 4.04Å; Y1014-C1053 HydrophobicContact CD2-CB 4.4Å; Y1014-C1053 WeakPolarHBondContact CD2-SG 3.49Å; Y1014-C1053 HydrophobicContact CE1-CB 3.91Å; Y1014-C1053 HydrophobicContact CE2-CB 4.28Å; Y1014-C1053 HydrophobicContact CG-CB 4.28Å; Y1014-V1056 HydrophobicContact CD1-CB 4.28Å; Y1014-V1056 HydrophobicContact CD1-CG1 4.11Å; Y1014-L1057 HydrophobicContact CE1-CD1 4.07Å; Y1014-L1057 HydrophobicContact CE1-CD2 4.33Å; Y1014-L1057 HydrophobicContact CE1-CG 3.97Å; Y1014-F1094 VanDerWaalsContact OH-CE2 3.24Å; Y1014-F1094 WeakPolarHBondContact OH-CE2 3.4Å
1015S95.7Very high93.2Very high40 Ų4038.6 Ų38.628%0.2820%0.201SC..Hα-helixtrans-61.5-40.2174.6-169.50000112.4R1011 H1012 I1017 L1018 Q1019R1011-S1015 WeakPolarHBondContact O-CB 3.31Å; R1011-S1015 PolarHBondContact O-N 2.85Å; H1012-S1015 WeakPolarHBondContact O-CB 3.37Å; H1012-S1015 PolarHBondContact O-N 3.36Å; H1012-S1015 VanDerWaalsContact O-N 3.07Å; S1015-I1017 VanDerWaalsContact C-N 3.27Å; S1015-I1017 PolarHBondContact O-N 3.12Å; S1015-L1018 PolarHBondContact O-N 3.39Å; S1015-Q1019 PolarHBondContact O-N 3.45Å
1016C95.6Very high92.6Very high5 Ų544.9 Ų44.93%0.03423%0.229CC..Hα-helixtrans-59.9-37.1176.9-660000112.4F974 C978 H1012 L1013 Y1014 Q1019 G1020F974-C1016 HydrophobicContact CB-CB 4.13Å; F974-C1016 HydrophobicContact CD1-CB 4.25Å; C978-C1016 PolarHBondContact SG-O 2.94Å; C978-C1016 VanDerWaalsContact SG-O 3.41Å; H1012-C1016 PolarHBondContact O-N 2.66Å; H1012-C1016 PolarHBondContact O-SG 2.77Å; L1013-C1016 PolarHBondContact O-N 3.36Å; Y1014-C1016 PolarHBondContact O-N 3.43Å; C1016-Q1019 PolarHBondContact O-N 3.41Å; C1016-G1020 PolarHBondContact O-N 3.09Å
1017I95.3Very high92.1Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-65.4-43.8177.3-54.8158.8000110.4F974 L977 L1013 Y1014 S1015 Q1019 G1020 V1021 L1037 L1041F974-I1017 HydrophobicContact CE1-CD1 4.4Å; F974-I1017 HydrophobicContact CE1-CG1 4.24Å; L977-I1017 HydrophobicContact CD1-CG1 4.14Å; L1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; L1013-I1017 PolarHBondContact O-N 3.45Å; Y1014-I1017 HydrophobicContact CD2-CD1 4.03Å; Y1014-I1017 HydrophobicContact CE2-CD1 4.48Å; Y1014-I1017 PolarHBondContact O-N 3.48Å; S1015-I1017 VanDerWaalsContact C-N 3.27Å; S1015-I1017 PolarHBondContact O-N 3.12Å; I1017-Q1019 VanDerWaalsContact C-N 3.35Å; I1017-G1020 PolarHBondContact O-N 2.8Å; I1017-V1021 WeakPolarHBondContact O-CG2 3.15Å; I1017-V1021 PolarHBondContact O-N 3.35Å; I1017-L1037 HydrophobicContact CD1-CG 4.42Å; I1017-L1037 HydrophobicContact CG1-CD2 4.25Å; I1017-L1037 HydrophobicContact CG1-CG 4.49Å; I1017-L1041 HydrophobicContact CD1-CB 4.1Å; I1017-L1041 HydrophobicContact CD1-CD1 3.32Å; I1017-L1041 HydrophobicContact CD1-CG 4.3Å; I1017-L1041 HydrophobicContact CG1-CD1 4.3Å
1018L94.4Very high91.5Very high6 Ų649.8 Ų49.83%0.03125%0.25CC..Hα-helixtrans-68.6-36.8-178.7-59.4178.6000111.4Y1014 S1015 V1021 Q1022 V1056 L1057 I1060 F1094 V1098 I1101Y1014-L1018 HydrophobicContact CD1-CD1 4.03Å; Y1014-L1018 HydrophobicContact CD1-CG 4.43Å; Y1014-L1018 HydrophobicContact CE1-CD1 3.97Å; Y1014-L1018 HydrophobicContact CE1-CD2 4.41Å; Y1014-L1018 HydrophobicContact CE1-CG 4.35Å; Y1014-L1018 PolarHBondContact O-N 3.29Å; S1015-L1018 PolarHBondContact O-N 3.39Å; L1018-V1021 WeakPolarHBondContact O-CB 3.4Å; L1018-V1021 PolarHBondContact O-N 3.47Å; L1018-Q1022 PolarHBondContact O-N 3.08Å; L1018-V1056 HydrophobicContact CD1-CG1 3.68Å; L1018-L1057 HydrophobicContact CD1-CD2 3.9Å; L1018-L1057 HydrophobicContact CD1-CG 4.4Å; L1018-L1057 HydrophobicContact CD2-CD2 4.2Å; L1018-I1060 HydrophobicContact CB-CD1 4.26Å; L1018-I1060 HydrophobicContact CD1-CD1 3.54Å; L1018-I1060 HydrophobicContact CG-CD1 4.38Å; L1018-F1094 HydrophobicContact CD2-CZ 4.13Å; L1018-V1098 HydrophobicContact CD2-CG1 3.99Å; L1018-I1101 HydrophobicContact CB-CD1 4.08Å; L1018-I1101 HydrophobicContact CD2-CD1 4.19Å
1019Q92.5Very high90.8Very high95 Ų9552.4 Ų52.444%0.44426%0.26SS..Hα-helixtrans-61.2-44.6169.4-75.5177.8-10.800111.5C978 S1015 C1016 I1017 V1021 Q1022 Q1023C978-Q1019 HydrophobicContact CB-CB 4.47Å; C978-Q1019 PolarHBondContact SG-OE1 3.38Å; S1015-Q1019 PolarHBondContact O-N 3.45Å; C1016-Q1019 PolarHBondContact O-N 3.41Å; I1017-Q1019 VanDerWaalsContact C-N 3.35Å; Q1019-V1021 VanDerWaalsContact C-N 3.32Å; Q1019-V1021 PolarHBondContact O-N 3.16Å; Q1019-Q1022 WeakPolarHBondContact O-CB 3.42Å; Q1019-Q1022 PolarHBondContact O-N 2.9Å; Q1019-Q1022 VanDerWaalsContact O-N 3.13Å; Q1019-Q1023 WeakPolarHBondContact O-CB 3.48Å; Q1019-Q1023 PolarHBondContact O-N 3.38Å
1020G92.6Very high90.5Very high0 Ų050.4 Ų50.40%025%0.245CC..Hα-helixtrans-60.9-37.917400000113.5L977 C1016 I1017 Q1022 Q1023 H1024 L1034L977-G1020 WeakPolarHBondContact O-CA 3.33Å; C1016-G1020 PolarHBondContact O-N 3.09Å; I1017-G1020 PolarHBondContact O-N 2.8Å; G1020-Q1022 VanDerWaalsContact C-N 3.31Å; G1020-Q1022 PolarHBondContact O-N 3.49Å; G1020-Q1023 PolarHBondContact O-N 3.28Å; G1020-H1024 PolarHBondContact O-CD2 3.15Å; G1020-H1024 VanDerWaalsContact O-CD2 3.23Å; G1020-H1024 PolarHBondContact O-N 2.7Å; G1020-L1034 WeakPolarHBondContact O-CD1 3.41Å
1021V92.1Very high90.1Very high0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-62-40.2173.9166.90000111.3I1017 L1018 Q1019 L1031 L1034 F1035 V1098 I1101 A1102I1017-V1021 WeakPolarHBondContact O-CG2 3.15Å; I1017-V1021 PolarHBondContact O-N 3.35Å; L1018-V1021 WeakPolarHBondContact O-CB 3.4Å; L1018-V1021 PolarHBondContact O-N 3.47Å; Q1019-V1021 VanDerWaalsContact C-N 3.32Å; Q1019-V1021 PolarHBondContact O-N 3.16Å; V1021-L1031 HydrophobicContact CB-CD1 4.41Å; V1021-L1031 HydrophobicContact CG1-CD1 4.01Å; V1021-L1031 WeakPolarHBondContact O-CD1 3.33Å; V1021-L1034 HydrophobicContact CG2-CB 3.83Å; V1021-F1035 HydrophobicContact CG1-CE1 3.78Å; V1021-F1035 HydrophobicContact CG2-CD1 4.3Å; V1021-F1035 HydrophobicContact CG2-CE1 4.32Å; V1021-V1098 HydrophobicContact CG1-CG2 4.4Å; V1021-I1101 HydrophobicContact CB-CD1 4.22Å; V1021-I1101 HydrophobicContact CG1-CD1 3.86Å; V1021-I1101 HydrophobicContact CG1-CG1 4.15Å; V1021-A1102 HydrophobicContact CG1-CB 4.41Å
1022Q90Very high89.8Confident102 Ų10248.4 Ų48.448%0.47724%0.242SC..Hα-helixtrans-68.7-44.8176.4-173.1178-400111.3L1018 Q1019 G1020 H1024 N1025 I1101L1018-Q1022 PolarHBondContact O-N 3.08Å; Q1019-Q1022 WeakPolarHBondContact O-CB 3.42Å; Q1019-Q1022 PolarHBondContact O-N 2.9Å; Q1019-Q1022 VanDerWaalsContact O-N 3.13Å; G1020-Q1022 VanDerWaalsContact C-N 3.31Å; G1020-Q1022 PolarHBondContact O-N 3.49Å; Q1022-H1024 PolarHBondContact O-N 3.18Å; Q1022-N1025 PolarHBondContact O-ND2 3.31Å; Q1022-I1101 HydrophobicContact CB-CB 4.5Å
1023Q87.9Confident89.4Confident87 Ų8745.7 Ų45.741%0.40723%0.229SC..Hα-helixtrans-65.3-38-176.9-170.864.417.300113Q1019 G1020Q1019-Q1023 WeakPolarHBondContact O-CB 3.48Å; Q1019-Q1023 PolarHBondContact O-N 3.38Å; G1020-Q1023 PolarHBondContact O-N 3.28Å
1024H88.8Confident89.3Confident7 Ų745.5 Ų45.53%0.03223%0.228CC..THydrogen-bonded Turntrans-107.329.3-173.4-57-64000114C979 P980 V985 G1020 Q1022 Q1026 L1027 L1030 L1034C979-H1024 PolarHBondContact O-CE1 3.45Å; C979-H1024 PolarHBondContact O-NE2 2.86Å; C979-H1024 VanDerWaalsContact O-NE2 3.14Å; P980-H1024 PolarHBondContact O-CE1 3.31Å; V985-H1024 VanDerWaalsContact CG2-NE2 3.26Å; V985-H1024 WeakPolarHBondContact CG2-NE2 3.38Å; G1020-H1024 PolarHBondContact O-CD2 3.15Å; G1020-H1024 VanDerWaalsContact O-CD2 3.23Å; G1020-H1024 PolarHBondContact O-N 2.7Å; Q1022-H1024 PolarHBondContact O-N 3.18Å; H1024-Q1026 PolarHBondContact O-N 2.61Å; H1024-Q1026 VanDerWaalsContact O-N 3.12Å; H1024-L1027 PolarHBondContact O-N 2.94Å; H1024-L1027 VanDerWaalsContact O-N 3.14Å; H1024-L1030 HydrophobicContact CB-CD2 3.88Å; H1024-L1030 HydrophobicContact CB-CG 4.38Å; H1024-L1034 HydrophobicContact CB-CD1 4.33Å
1025N82.7Confident89.1Confident27 Ų2745.7 Ų45.714%0.14423%0.229CC..THydrogen-bonded Turntrans-62.1-20.8-174.967.118.8000114.6Q1022 T1104Q1022-N1025 PolarHBondContact O-ND2 3.31Å; N1025-T1104 PolarHBondContact ND2-O 3.26Å
1026Q80.2Confident88.9Confident157 Ų15744.8 Ų44.873%0.73422%0.221SC*.THydrogen-bonded Turntrans-82.9-17.6179-56.3-175.1-3.500113.9H1024H1024-Q1026 PolarHBondContact O-N 2.61Å; H1024-Q1026 VanDerWaalsContact O-N 3.12Å
1027L83.2Confident88.9Confident79 Ų7944.6 Ų44.641%0.41422%0.219SC..  trans-10287.5-174.2-66.4173.5000111H1024 D1029 L1030 L1031H1024-L1027 PolarHBondContact O-N 2.94Å; H1024-L1027 VanDerWaalsContact O-N 3.14Å; L1027-D1029 VanDerWaalsContact C-N 3.31Å; L1027-D1029 PolarHBondContact O-N 3.27Å; L1027-D1029 VanDerWaalsContact O-N 3.15Å; L1027-L1030 HydrophobicContact CB-CB 4.03Å; L1027-L1030 HydrophobicContact CD1-CD2 4.18Å; L1027-L1030 PolarHBondContact O-N 3.13Å; L1027-L1030 VanDerWaalsContact O-N 3.12Å; L1027-L1031 WeakPolarHBondContact O-CB 3.28Å; L1027-L1031 PolarHBondContact O-N 2.56Å
1028E80.6Confident88.9Confident156 Ų15644.6 Ų44.673%0.72922%0.219SC*.Hα-helixtrans-51.3-42.9-172.7-82-156.7133.200114.6G1032E1028-G1032 PolarHBondContact O-N 3.23Å
1029D79.7Confident88.8Confident135 Ų13544.7 Ų44.772%0.72222%0.219SC*.Hα-helixtrans-67.1-43-178.3-75-30.4000112.1L1027 G1032 K1033L1027-D1029 VanDerWaalsContact C-N 3.31Å; L1027-D1029 PolarHBondContact O-N 3.27Å; L1027-D1029 VanDerWaalsContact O-N 3.15Å; D1029-G1032 PolarHBondContact O-N 3.41Å; D1029-K1033 PolarHBondContact O-N 2.98Å
1030L87.2Confident88.9Confident5 Ų543 Ų433%0.02621%0.209CC..Hα-helixtrans-68.6-44177.1-179.856.8000110.8V985 I986 H1024 L1027 G1032 K1033 L1034V985-L1030 HydrophobicContact CB-CD1 4.39Å; V985-L1030 HydrophobicContact CB-CD2 4.26Å; V985-L1030 HydrophobicContact CG1-CD1 3.86Å; V985-L1030 HydrophobicContact CG1-CD2 4.14Å; V985-L1030 HydrophobicContact CG1-CG 4.4Å; I986-L1030 HydrophobicContact CG1-CD1 3.91Å; H1024-L1030 HydrophobicContact CB-CD2 3.88Å; H1024-L1030 HydrophobicContact CB-CG 4.38Å; L1027-L1030 HydrophobicContact CB-CB 4.03Å; L1027-L1030 HydrophobicContact CD1-CD2 4.18Å; L1027-L1030 PolarHBondContact O-N 3.13Å; L1027-L1030 VanDerWaalsContact O-N 3.12Å; L1030-G1032 PolarHBondContact O-N 2.8Å; L1030-K1033 WeakPolarHBondContact O-CA 3.5Å; L1030-K1033 WeakPolarHBondContact O-CB 3.45Å; L1030-K1033 PolarHBondContact O-N 2.98Å; L1030-L1034 HydrophobicContact CG-CD1 4.29Å; L1030-L1034 PolarHBondContact O-N 2.95Å
1031L88.7Confident89Confident12 Ų1243 Ų436%0.06321%0.209CC..Hα-helixtrans-59.2-38.4176.7-161.270.3000111.1V1021 L1027 K1033 L1034 F1035V1021-L1031 HydrophobicContact CB-CD1 4.41Å; V1021-L1031 HydrophobicContact CG1-CD1 4.01Å; V1021-L1031 WeakPolarHBondContact O-CD1 3.33Å; L1027-L1031 WeakPolarHBondContact O-CB 3.28Å; L1027-L1031 PolarHBondContact O-N 2.56Å; L1031-K1033 VanDerWaalsContact C-N 3.34Å; L1031-K1033 PolarHBondContact O-N 3.46Å; L1031-L1034 PolarHBondContact O-N 3.24Å; L1031-F1035 HydrophobicContact CB-CE2 4.48Å; L1031-F1035 HydrophobicContact CD1-CE1 4.29Å; L1031-F1035 HydrophobicContact CD1-CZ 4.12Å; L1031-F1035 HydrophobicContact CD2-CE2 3.8Å; L1031-F1035 HydrophobicContact CD2-CZ 3.56Å; L1031-F1035 HydrophobicContact CG-CD2 4.4Å; L1031-F1035 HydrophobicContact CG-CE1 4.04Å; L1031-F1035 HydrophobicContact CG-CE2 3.66Å; L1031-F1035 HydrophobicContact CG-CZ 3.46Å; L1031-F1035 VanDerWaalsContact CG-CZ 3.46Å; L1031-F1035 VanDerWaalsContact O-CD2 3.23Å; L1031-F1035 WeakPolarHBondContact O-CD2 3.18Å; L1031-F1035 WeakPolarHBondContact O-CG 3.44Å; L1031-F1035 PolarHBondContact O-N 2.99Å
1032G88.7Confident89.1Confident11 Ų1143.1 Ų43.111%0.11321%0.209CC..Hα-helixtrans-56.9-42.5171.700000113.4E1028 D1029 L1030 D1036E1028-G1032 PolarHBondContact O-N 3.23Å; D1029-G1032 PolarHBondContact O-N 3.41Å; L1030-G1032 PolarHBondContact O-N 2.8Å; G1032-D1036 PolarHBondContact O-N 3.37Å
1033K89.2Confident89.3Confident32 Ų3240.3 Ų40.314%0.13920%0.198CC..Hα-helixtrans-71-38.6176.4-67.2-173.9176.1-173.40112.4M942 I947 T989 D1029 L1030 L1031 F1035 D1036 L1037M942-K1033 HydrophobicContact CE-CD 3.86Å; M942-K1033 PolarHBondContact O-NZ 2.92Å; M942-K1033 PolarHBondContact SD-NZ 2.99Å; I947-K1033 HydrophobicContact CD1-CB 4.45Å; I947-K1033 WeakPolarHBondContact CD1-O 2.98Å; T989-K1033 HydrophobicContact CG2-CB 4.08Å; D1029-K1033 PolarHBondContact O-N 2.98Å; L1030-K1033 WeakPolarHBondContact O-CA 3.5Å; L1030-K1033 WeakPolarHBondContact O-CB 3.45Å; L1030-K1033 PolarHBondContact O-N 2.98Å; L1031-K1033 VanDerWaalsContact C-N 3.34Å; L1031-K1033 PolarHBondContact O-N 3.46Å; K1033-F1035 VanDerWaalsContact C-N 3.35Å; K1033-D1036 WeakPolarHBondContact O-CB 3.37Å; K1033-D1036 PolarHBondContact O-N 3.37Å; K1033-L1037 PolarHBondContact O-N 3.27Å
1034L93.4Very high89.5Confident0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-66.2-36.9175.6-70.4171.3000111.9L977 V985 G1020 V1021 H1024 L1030 L1031 D1036 L1037 G1038L977-L1034 HydrophobicContact CD2-CD2 4.32Å; V985-L1034 HydrophobicContact CG1-CD2 4.24Å; G1020-L1034 WeakPolarHBondContact O-CD1 3.41Å; V1021-L1034 HydrophobicContact CG2-CB 3.83Å; H1024-L1034 HydrophobicContact CB-CD1 4.33Å; L1030-L1034 HydrophobicContact CG-CD1 4.29Å; L1030-L1034 PolarHBondContact O-N 2.95Å; L1031-L1034 PolarHBondContact O-N 3.24Å; L1034-D1036 VanDerWaalsContact C-N 3.34Å; L1034-L1037 PolarHBondContact O-N 3.05Å; L1034-G1038 PolarHBondContact O-N 3.48Å
1035F93.3Very high89.9Confident4 Ų438.3 Ų38.32%0.01819%0.19CC..Hα-helixtrans-63-41.3171.3-65.4-31000112.2V1021 L1031 K1033 L1037 G1038 W1039 R1091 F1094 K1095 V1098 A1102V1021-F1035 HydrophobicContact CG1-CE1 3.78Å; V1021-F1035 HydrophobicContact CG2-CD1 4.3Å; V1021-F1035 HydrophobicContact CG2-CE1 4.32Å; L1031-F1035 HydrophobicContact CB-CE2 4.48Å; L1031-F1035 HydrophobicContact CD1-CE1 4.29Å; L1031-F1035 HydrophobicContact CD1-CZ 4.12Å; L1031-F1035 HydrophobicContact CD2-CE2 3.8Å; L1031-F1035 HydrophobicContact CD2-CZ 3.56Å; L1031-F1035 HydrophobicContact CG-CD2 4.4Å; L1031-F1035 HydrophobicContact CG-CE1 4.04Å; L1031-F1035 HydrophobicContact CG-CE2 3.66Å; L1031-F1035 HydrophobicContact CG-CZ 3.46Å; L1031-F1035 VanDerWaalsContact CG-CZ 3.46Å; L1031-F1035 VanDerWaalsContact O-CD2 3.23Å; L1031-F1035 WeakPolarHBondContact O-CD2 3.18Å; L1031-F1035 WeakPolarHBondContact O-CG 3.44Å; L1031-F1035 PolarHBondContact O-N 2.99Å; K1033-F1035 VanDerWaalsContact C-N 3.35Å; F1035-L1037 VanDerWaalsContact C-N 3.33Å; F1035-G1038 PolarHBondContact O-N 2.99Å; F1035-W1039 PolarHBondContact O-N 3.16Å; F1035-W1039 VanDerWaalsContact O-N 3.13Å; F1035-R1091 HydrophobicContact CB-CG 3.74Å; F1035-F1094 HydrophobicContact CB-CD1 4.05Å; F1035-F1094 AromaticContact CD1-CD1 3.91Å; F1035-F1094 HydrophobicContact CD1-CD1 3.91Å; F1035-F1094 HydrophobicContact CD1-CE1 4.1Å; F1035-F1094 HydrophobicContact CG-CD1 4.34Å; F1035-K1095 HydrophobicContact CD2-CB 3.96Å; F1035-K1095 HydrophobicContact CD2-CD 4.19Å; F1035-K1095 HydrophobicContact CD2-CG 4.15Å; F1035-K1095 HydrophobicContact CE2-CB 3.9Å; F1035-K1095 HydrophobicContact CE2-CD 3.64Å; F1035-K1095 HydrophobicContact CE2-CG 3.59Å; F1035-K1095 HydrophobicContact CG-CB 4.38Å; F1035-K1095 HydrophobicContact CZ-CB 4.24Å; F1035-K1095 HydrophobicContact CZ-CD 4.35Å; F1035-K1095 HydrophobicContact CZ-CG 3.87Å; F1035-V1098 HydrophobicContact CD1-CG2 3.99Å; F1035-V1098 HydrophobicContact CE1-CG2 3.63Å; F1035-A1102 HydrophobicContact CZ-CB 4.21Å
1036D91.9Very high90.3Very high21 Ų2138.8 Ų38.811%0.11219%0.19CC..Hα-helixtrans-63-40.9174.9-77.1-26000112.5I947 G1032 K1033 L1034 W1039 R1040 R1091I947-D1036 HydrophobicContact CD1-CB 3.7Å; G1032-D1036 PolarHBondContact O-N 3.37Å; K1033-D1036 WeakPolarHBondContact O-CB 3.37Å; K1033-D1036 PolarHBondContact O-N 3.37Å; L1034-D1036 VanDerWaalsContact C-N 3.34Å; D1036-W1039 VanDerWaalsContact CA-CD1 3.5Å; D1036-W1039 PolarHBondContact OD1-NE1 3.06Å; D1036-R1040 WeakPolarHBondContact O-CB 3.41Å; D1036-R1040 VanDerWaalsContact O-CG 3.32Å; D1036-R1040 WeakPolarHBondContact O-CG 3.34Å; D1036-R1040 PolarHBondContact O-N 3.16Å; D1036-R1091 WeakPolarHBondContact OD1-CB 3.38Å; D1036-R1091 WeakPolarHBondContact OD1-CG 3.48Å; D1036-R1091 IonicContact OD1-CZ 2.67Å; D1036-R1091 IonicContact OD1-NE 2.77Å; D1036-R1091 PolarHBondContact OD1-NE 2.95Å; D1036-R1091 IonicContact OD1-NH2 2.68Å; D1036-R1091 PolarHBondContact OD1-NH2 2.97Å; D1036-R1091 IonicContact OD2-CZ 3.52Å; D1036-R1091 IonicContact OD2-NE 3.8Å; D1036-R1091 PolarHBondContact OD2-NE 2.85Å; D1036-R1091 VanDerWaalsContact OD2-NE 3.15Å; D1036-R1091 IonicContact OD2-NH1 2.82Å; D1036-R1091 IonicContact OD2-NH2 3.81Å; D1036-R1091 PolarHBondContact OD2-NH2 2.99Å
1037L94Very high90.8Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-64.8-45.1175.7-177.861.3000111.5L977 T989 C992 C993 I1017 K1033 L1034 F1035 R1040 L1041L977-L1037 HydrophobicContact CD1-CD2 4.01Å; T989-L1037 HydrophobicContact CG2-CB 4.3Å; T989-L1037 HydrophobicContact CG2-CD2 4.09Å; C992-L1037 HydrophobicContact CB-CD1 3.68Å; C992-L1037 HydrophobicContact CB-CD2 3.82Å; C992-L1037 HydrophobicContact CB-CG 4.4Å; C993-L1037 HydrophobicContact CB-CD1 4.15Å; I1017-L1037 HydrophobicContact CD1-CG 4.42Å; I1017-L1037 HydrophobicContact CG1-CD2 4.25Å; I1017-L1037 HydrophobicContact CG1-CG 4.49Å; K1033-L1037 PolarHBondContact O-N 3.27Å; L1034-L1037 PolarHBondContact O-N 3.05Å; F1035-L1037 VanDerWaalsContact C-N 3.33Å; L1037-R1040 PolarHBondContact O-N 3.41Å; L1037-L1041 HydrophobicContact CD1-CD1 3.57Å; L1037-L1041 HydrophobicContact CD1-CG 4.1Å; L1037-L1041 HydrophobicContact CG-CD1 3.87Å; L1037-L1041 WeakPolarHBondContact O-CB 3.47Å; L1037-L1041 PolarHBondContact O-N 2.99Å
1038G95Very high91.3Very high0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-58.7-51.7-179.300000112.7Y1014 L1034 F1035 R1040 L1041 Y1042Y1014-G1038 WeakPolarHBondContact CE2-O 3.35Å; Y1014-G1038 PolarHBondContact OH-O 3.07Å; L1034-G1038 PolarHBondContact O-N 3.48Å; F1035-G1038 PolarHBondContact O-N 2.99Å; G1038-R1040 PolarHBondContact O-N 3.29Å; G1038-L1041 PolarHBondContact O-N 3.13Å; G1038-Y1042 PolarHBondContact O-N 3.41Å
1039W93.7Very high92Very high8 Ų828.6 Ų28.63%0.0316%0.16CC..Hα-helixtrans-68.5-35179.480.8-105.3000112.6F1035 D1036 Y1042 D1043 F1071 M1075 D1087 K1090 F1094F1035-W1039 PolarHBondContact O-N 3.16Å; F1035-W1039 VanDerWaalsContact O-N 3.13Å; D1036-W1039 VanDerWaalsContact CA-CD1 3.5Å; D1036-W1039 PolarHBondContact OD1-NE1 3.06Å; W1039-Y1042 WeakPolarHBondContact O-CB 3.36Å; W1039-Y1042 PolarHBondContact O-N 3.21Å; W1039-D1043 PolarHBondContact O-N 3.01Å; W1039-F1071 HydrophobicContact CB-CZ 4.32Å; W1039-M1075 HydrophobicContact CE3-CE 3.75Å; W1039-M1075 HydrophobicContact CZ3-CE 4.24Å; W1039-D1087 HydrophobicContact CZ2-CB 4.19Å; W1039-K1090 HydrophobicContact CD2-CB 3.8Å; W1039-K1090 HydrophobicContact CD2-CD 3.95Å; W1039-K1090 HydrophobicContact CE3-CB 4.21Å; W1039-K1090 HydrophobicContact CE3-CD 3.55Å; W1039-K1090 HydrophobicContact CE3-CG 4.5Å; W1039-K1090 HydrophobicContact CG-CB 4.09Å; W1039-K1090 HydrophobicContact CH2-CD 3.46Å; W1039-K1090 VanDerWaalsContact CH2-CD 3.46Å; W1039-K1090 HydrophobicContact CZ2-CB 4.32Å; W1039-K1090 HydrophobicContact CZ2-CD 3.84Å; W1039-K1090 HydrophobicContact CZ3-CD 3.31Å; W1039-F1094 HydrophobicContact CB-CB 3.94Å; W1039-F1094 HydrophobicContact CB-CD2 4.06Å; W1039-F1094 HydrophobicContact CB-CG 4.01Å
1040R93.6Very high92.5Very high59 Ų5925.5 Ų25.522%0.22315%0.148CC..Hα-helixtrans-65-44.5177.9-82178.1173.2-145.910.3111.9I947 D1036 L1037 G1038 Y1042 D1043 L1044 D1087I947-R1040 VanDerWaalsContact O-CZ 3.29Å; I947-R1040 PolarHBondContact O-NH1 2.71Å; I947-R1040 PolarHBondContact O-NH2 3.03Å; D1036-R1040 WeakPolarHBondContact O-CB 3.41Å; D1036-R1040 VanDerWaalsContact O-CG 3.32Å; D1036-R1040 WeakPolarHBondContact O-CG 3.34Å; D1036-R1040 PolarHBondContact O-N 3.16Å; L1037-R1040 PolarHBondContact O-N 3.41Å; G1038-R1040 PolarHBondContact O-N 3.29Å; R1040-Y1042 VanDerWaalsContact C-N 3.32Å; R1040-D1043 PolarHBondContact O-N 3.02Å; R1040-L1044 WeakPolarHBondContact O-CG 3.34Å; R1040-L1044 PolarHBondContact O-N 3.36Å; R1040-D1087 IonicContact NH2-OD2 3.74Å
1041L94.5Very high92.7Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-69.4-31.9177.6-77.5170.8000112F974 V996 Y1014 I1017 L1037 G1038 L1044 F1045F974-L1041 HydrophobicContact CE1-CD1 4Å; F974-L1041 HydrophobicContact CZ-CD1 4.08Å; V996-L1041 HydrophobicContact CB-CD2 3.58Å; V996-L1041 HydrophobicContact CG1-CD2 3.5Å; V996-L1041 HydrophobicContact CG2-CD2 3.59Å; Y1014-L1041 HydrophobicContact CD2-CB 4.28Å; Y1014-L1041 HydrophobicContact CE2-CB 4.34Å; I1017-L1041 HydrophobicContact CD1-CB 4.1Å; I1017-L1041 HydrophobicContact CD1-CD1 3.32Å; I1017-L1041 HydrophobicContact CD1-CG 4.3Å; I1017-L1041 HydrophobicContact CG1-CD1 4.3Å; L1037-L1041 HydrophobicContact CD1-CD1 3.57Å; L1037-L1041 HydrophobicContact CD1-CG 4.1Å; L1037-L1041 HydrophobicContact CG-CD1 3.87Å; L1037-L1041 WeakPolarHBondContact O-CB 3.47Å; L1037-L1041 PolarHBondContact O-N 2.99Å; G1038-L1041 PolarHBondContact O-N 3.13Å; L1041-L1044 HydrophobicContact CD2-CD1 4.09Å; L1041-L1044 PolarHBondContact O-N 3.26Å; L1041-F1045 HydrophobicContact CB-CD2 4.5Å; L1041-F1045 HydrophobicContact CB-CE2 4.32Å; L1041-F1045 HydrophobicContact CD2-CE2 4.26Å; L1041-F1045 HydrophobicContact CD2-CZ 4.08Å; L1041-F1045 WeakPolarHBondContact O-CB 3.39Å; L1041-F1045 WeakPolarHBondContact O-CD2 3.32Å; L1041-F1045 WeakPolarHBondContact O-CG 3.5Å; L1041-F1045 PolarHBondContact O-N 3.48Å
1042Y95.4Very high93Very high3 Ų328.8 Ų28.81%0.01217%0.165CC..Hα-helixtrans-58.6-47.8169.5-168-81.3000111.6Y1014 G1038 W1039 R1040 F1045 R1046 C1053 K1054 L1057 L1068 F1071 D1072Y1014-Y1042 HydrophobicContact CE2-CD2 4.49Å; Y1014-Y1042 AromaticContact CZ-CD2 3.96Å; Y1014-Y1042 WeakPolarHBondContact OH-CD2 3.44Å; G1038-Y1042 PolarHBondContact O-N 3.41Å; W1039-Y1042 WeakPolarHBondContact O-CB 3.36Å; W1039-Y1042 PolarHBondContact O-N 3.21Å; R1040-Y1042 VanDerWaalsContact C-N 3.32Å; Y1042-F1045 PolarHBondContact O-N 3Å; Y1042-R1046 WeakPolarHBondContact O-CB 3.46Å; Y1042-R1046 PolarHBondContact O-N 3.42Å; Y1042-C1053 HydrophobicContact CD2-CB 3.38Å; Y1042-C1053 HydrophobicContact CE2-CB 3.55Å; Y1042-C1053 HydrophobicContact CG-CB 4.3Å; Y1042-K1054 WeakPolarHBondContact OH-CE 3.45Å; Y1042-K1054 WeakPolarHBondContact OH-CG 3.45Å; Y1042-L1057 HydrophobicContact CD2-CD1 4.02Å; Y1042-L1057 HydrophobicContact CE2-CD1 3.73Å; Y1042-L1068 HydrophobicContact CE2-CD1 4.31Å; Y1042-F1071 HydrophobicContact CD1-CD1 4.49Å; Y1042-F1071 AromaticContact CD1-CE1 3.79Å; Y1042-F1071 HydrophobicContact CD1-CE1 3.79Å; Y1042-F1071 HydrophobicContact CD2-CE1 4.32Å; Y1042-F1071 HydrophobicContact CE1-CD1 4.18Å; Y1042-F1071 AromaticContact CE1-CE1 3.94Å; Y1042-F1071 HydrophobicContact CE1-CE1 3.94Å; Y1042-F1071 HydrophobicContact CE2-CE1 4.45Å; Y1042-F1071 AromaticContact CG-CE1 4Å; Y1042-F1071 HydrophobicContact CG-CE1 4Å; Y1042-D1072 WeakPolarHBondContact CE1-OD1 3.37Å; Y1042-D1072 PolarHBondContact OH-OD1 3.45Å; Y1042-D1072 VanDerWaalsContact OH-OD1 3.11Å
1043D93Very high93.2Very high44 Ų4428.4 Ų28.424%0.23516%0.161CC..Hα-helixtrans-62.9-43.1179.4-157.618.4000111.5W1039 R1040 R1046 M1075 S1079W1039-D1043 PolarHBondContact O-N 3.01Å; R1040-D1043 PolarHBondContact O-N 3.02Å; D1043-R1046 PolarHBondContact O-N 3.15Å; D1043-R1046 IonicContact OD1-NH1 3.94Å; D1043-M1075 HydrophobicContact CB-CE 3.63Å; D1043-S1079 PolarHBondContact OD1-OG 2.78Å
1044L93.7Very high93.4Very high52 Ų5229.4 Ų29.427%0.27217%0.165SC..Hα-helixtrans-64.9-40.3177.6-73.6171.9000112.9V996 V997 L1000 R1040 L1041 P1048V996-L1044 HydrophobicContact CG1-CD1 4.35Å; V997-L1044 HydrophobicContact CG2-CD1 3.83Å; V997-L1044 HydrophobicContact CG2-CD2 3.95Å; L1000-L1044 HydrophobicContact CD1-CB 4.09Å; R1040-L1044 WeakPolarHBondContact O-CG 3.34Å; R1040-L1044 PolarHBondContact O-N 3.36Å; L1041-L1044 HydrophobicContact CD2-CD1 4.09Å; L1041-L1044 PolarHBondContact O-N 3.26Å; L1044-P1048 VanDerWaalsContact O-CD 3.23Å; L1044-P1048 WeakPolarHBondContact O-CD 3.42Å; L1044-P1048 WeakPolarHBondContact O-CG 3.34Å
1045F95.7Very high93.5Very high0 Ų033.7 Ų33.70%019%0.185CC..Hα-helixtrans-81.5-18.9-179.1-66.7-28.2000113.7V996 L1000 L1005 A1010 L1013 Y1014 L1041 Y1042 A1047 P1048 F1049V996-F1045 HydrophobicContact CG1-CD1 4.3Å; V996-F1045 HydrophobicContact CG1-CE1 3.37Å; V996-F1045 HydrophobicContact CG1-CZ 3.73Å; V996-F1045 HydrophobicContact CG2-CZ 4.28Å; L1000-F1045 HydrophobicContact CD1-CD1 4.44Å; L1005-F1045 HydrophobicContact CD1-CE1 4Å; A1010-F1045 HydrophobicContact CB-CD1 4.34Å; A1010-F1045 HydrophobicContact CB-CD2 4.23Å; A1010-F1045 HydrophobicContact CB-CE1 4.36Å; A1010-F1045 HydrophobicContact CB-CE2 4.25Å; A1010-F1045 HydrophobicContact CB-CG 4.28Å; A1010-F1045 HydrophobicContact CB-CZ 4.32Å; L1013-F1045 HydrophobicContact CD1-CZ 4.44Å; Y1014-F1045 HydrophobicContact CD2-CD2 4.28Å; Y1014-F1045 HydrophobicContact CD2-CE2 4.49Å; L1041-F1045 HydrophobicContact CB-CD2 4.5Å; L1041-F1045 HydrophobicContact CB-CE2 4.32Å; L1041-F1045 HydrophobicContact CD2-CE2 4.26Å; L1041-F1045 HydrophobicContact CD2-CZ 4.08Å; L1041-F1045 WeakPolarHBondContact O-CB 3.39Å; L1041-F1045 WeakPolarHBondContact O-CD2 3.32Å; L1041-F1045 WeakPolarHBondContact O-CG 3.5Å; L1041-F1045 PolarHBondContact O-N 3.48Å; Y1042-F1045 PolarHBondContact O-N 3Å; F1045-A1047 VanDerWaalsContact C-N 3.34Å; F1045-A1047 PolarHBondContact O-N 3.43Å; F1045-P1048 WeakPolarHBondContact O-CD 3.2Å; F1045-F1049 HydrophobicContact CB-CD2 4.29Å; F1045-F1049 AromaticContact CD1-CD2 3.85Å; F1045-F1049 HydrophobicContact CD1-CD2 3.85Å; F1045-F1049 HydrophobicContact CD1-CE2 4.16Å; F1045-F1049 HydrophobicContact CG-CD2 4.28Å; F1045-F1049 CarbonylContact O-C 3.44Å; F1045-F1049 VanDerWaalsContact O-C 3.24Å; F1045-F1049 VanDerWaalsContact O-CA 3.32Å; F1045-F1049 WeakPolarHBondContact O-CA 3.28Å; F1045-F1049 PolarHBondContact O-N 3.2Å
1046R92.8Very high93.6Very high37 Ų3734.1 Ų34.114%0.1419%0.189CC..Hα-helixtrans-59.1-40.9-173.5-157.2-169.582.2-128.36.3113.9Y1042 D1043 P1050 D1072 M1075 Q1076 S1079 D1080Y1042-R1046 WeakPolarHBondContact O-CB 3.46Å; Y1042-R1046 PolarHBondContact O-N 3.42Å; D1043-R1046 PolarHBondContact O-N 3.15Å; D1043-R1046 IonicContact OD1-NH1 3.94Å; R1046-P1050 VanDerWaalsContact O-CA 3.22Å; R1046-P1050 WeakPolarHBondContact O-CA 3.32Å; R1046-P1050 WeakPolarHBondContact O-CB 3.39Å; R1046-D1072 WeakPolarHBondContact CD-OD1 3.26Å; R1046-M1075 PolarHBondContact NH1-O 3.47Å; R1046-Q1076 VanDerWaalsContact CZ-CB 3.47Å; R1046-Q1076 VanDerWaalsContact NH1-N 3.16Å; R1046-Q1076 VanDerWaalsContact NH2-CA 3.28Å; R1046-Q1076 VanDerWaalsContact NH2-CB 3.34Å; R1046-Q1076 VanDerWaalsContact NH2-CG 3.29Å; R1046-S1079 PolarHBondContact NH1-OG 3.46Å; R1046-D1080 IonicContact NH2-OD1 3.93Å
1047A90.3Very high93.7Very high91 Ų9133.1 Ų33.175%0.75218%0.183SC*.THydrogen-bonded Turntrans-75.1-51.2-179.800000113.3F1045F1045-A1047 VanDerWaalsContact C-N 3.34Å; F1045-A1047 PolarHBondContact O-N 3.43Å
1048P93.3Very high93.6Very high63 Ų6336.9 Ų36.941%0.40920%0.203SC..THydrogen-bonded Turntrans-75.5-31.3-179.927.3-34.1000113.9L1000 L1044 F1045L1000-P1048 HydrophobicContact CD2-CB 4.31Å; L1000-P1048 HydrophobicContact CD2-CG 3.82Å; L1044-P1048 VanDerWaalsContact O-CD 3.23Å; L1044-P1048 WeakPolarHBondContact O-CD 3.42Å; L1044-P1048 WeakPolarHBondContact O-CG 3.34Å; F1045-P1048 WeakPolarHBondContact O-CD 3.2Å
1049F94.9Very high93.5Very high23 Ų2341.2 Ų41.210%0.10123%0.233CC..  trans-136.166.9-172.9-45.6-62000111.5L1000 L1005 D1007 A1010 F1045 N1051 A1052L1000-F1049 HydrophobicContact CD2-CE2 3.68Å; L1000-F1049 HydrophobicContact CD2-CZ 4.27Å; L1005-F1049 HydrophobicContact CB-CE2 3.98Å; L1005-F1049 HydrophobicContact CB-CZ 3.85Å; L1005-F1049 WeakPolarHBondContact O-CZ 3.48Å; D1007-F1049 HydrophobicContact CB-CD1 4.03Å; A1010-F1049 HydrophobicContact CB-CB 4.28Å; A1010-F1049 HydrophobicContact CB-CD2 3.53Å; A1010-F1049 HydrophobicContact CB-CE2 4.02Å; A1010-F1049 HydrophobicContact CB-CG 3.94Å; F1045-F1049 HydrophobicContact CB-CD2 4.29Å; F1045-F1049 AromaticContact CD1-CD2 3.85Å; F1045-F1049 HydrophobicContact CD1-CD2 3.85Å; F1045-F1049 HydrophobicContact CD1-CE2 4.16Å; F1045-F1049 HydrophobicContact CG-CD2 4.28Å; F1045-F1049 CarbonylContact O-C 3.44Å; F1045-F1049 VanDerWaalsContact O-C 3.24Å; F1045-F1049 VanDerWaalsContact O-CA 3.32Å; F1045-F1049 WeakPolarHBondContact O-CA 3.28Å; F1045-F1049 PolarHBondContact O-N 3.2Å; F1049-N1051 PolarHBondContact O-N 3.14Å; F1049-A1052 HydrophobicContact CB-CB 3.8Å; F1049-A1052 PolarHBondContact O-N 3.04Å; F1049-A1052 VanDerWaalsContact O-N 3.16Å
1050P90.1Very high93.1Very high70 Ų7042 Ų4246%0.45524%0.238SC..THydrogen-bonded Turntrans-60-23.1-166.719.5-31.5000115.5R1046R1046-P1050 VanDerWaalsContact O-CA 3.22Å; R1046-P1050 WeakPolarHBondContact O-CA 3.32Å; R1046-P1050 WeakPolarHBondContact O-CB 3.39Å
1051N92.2Very high92.6Very high86 Ų8644.7 Ų44.746%0.4626%0.263SS..THydrogen-bonded Turntrans-102.8-19-178.9-65.5-23.5000113.8F1049 C1053 K1054 E1055F1049-N1051 PolarHBondContact O-N 3.14Å; N1051-C1053 PolarHBondContact O-N 2.94Å; N1051-K1054 PolarHBondContact O-N 3.47Å; N1051-E1055 HydrophobicContact CB-CG 4.44Å; N1051-E1055 WeakPolarHBondContact O-CB 3.38Å; N1051-E1055 WeakPolarHBondContact O-CG 3.45Å; N1051-E1055 PolarHBondContact O-N 2.96Å
1052A93.6Very high92.1Very high0 Ų048 Ų480%030%0.297CS..Hα-helixtrans-56.7-55.4-170.700000112.5A1010 R1011 F1049 K1054 V1056A1010-A1052 HydrophobicContact CB-CB 4.05Å; R1011-A1052 HydrophobicContact CG-CB 3.79Å; F1049-A1052 HydrophobicContact CB-CB 3.8Å; F1049-A1052 PolarHBondContact O-N 3.04Å; F1049-A1052 VanDerWaalsContact O-N 3.16Å; A1052-K1054 VanDerWaalsContact C-N 3.34Å; A1052-K1054 PolarHBondContact O-N 2.85Å; A1052-V1056 VanDerWaalsContact O-CG2 3.31Å; A1052-V1056 WeakPolarHBondContact O-CG2 3.26Å; A1052-V1056 PolarHBondContact O-N 3.09Å
1053C94Very high91.6Very high4 Ų448.8 Ų48.83%0.02730%0.301CS..Hα-helixtrans-67.6-34.6179.5-61.40000112.8Y1014 Y1042 N1051 L1057Y1014-C1053 HydrophobicContact CD1-CB 4.04Å; Y1014-C1053 HydrophobicContact CD2-CB 4.4Å; Y1014-C1053 WeakPolarHBondContact CD2-SG 3.49Å; Y1014-C1053 HydrophobicContact CE1-CB 3.91Å; Y1014-C1053 HydrophobicContact CE2-CB 4.28Å; Y1014-C1053 HydrophobicContact CG-CB 4.28Å; Y1042-C1053 HydrophobicContact CD2-CB 3.38Å; Y1042-C1053 HydrophobicContact CE2-CB 3.55Å; Y1042-C1053 HydrophobicContact CG-CB 4.3Å; N1051-C1053 PolarHBondContact O-N 2.94Å; C1053-L1057 WeakPolarHBondContact O-CB 3.44Å; C1053-L1057 WeakPolarHBondContact O-CD1 3.48Å; C1053-L1057 WeakPolarHBondContact O-CG 3.47Å; C1053-L1057 PolarHBondContact O-N 3.27Å
1054K94.1Very high91.3Very high52 Ų5248.9 Ų48.923%0.22631%0.305CS..Hα-helixtrans-66.2-46.6-179.2-69.4179.8-178.8176.80111.3Y1042 N1051 A1052 V1056 L1057 L1058 L1068 D1072Y1042-K1054 WeakPolarHBondContact OH-CE 3.45Å; Y1042-K1054 WeakPolarHBondContact OH-CG 3.45Å; N1051-K1054 PolarHBondContact O-N 3.47Å; A1052-K1054 VanDerWaalsContact C-N 3.34Å; A1052-K1054 PolarHBondContact O-N 2.85Å; K1054-V1056 VanDerWaalsContact C-N 3.35Å; K1054-L1057 PolarHBondContact O-N 3.5Å; K1054-L1058 WeakPolarHBondContact O-CB 3.4Å; K1054-L1058 VanDerWaalsContact O-CG 3.26Å; K1054-L1058 WeakPolarHBondContact O-CG 3.45Å; K1054-L1058 PolarHBondContact O-N 3.02Å; K1054-L1068 HydrophobicContact CB-CD2 4.16Å; K1054-L1068 HydrophobicContact CG-CD2 4.29Å; K1054-D1072 VanDerWaalsContact CE-OD1 3.28Å; K1054-D1072 WeakPolarHBondContact CE-OD1 3.46Å; K1054-D1072 WeakPolarHBondContact CE-OD2 3.4Å; K1054-D1072 VanDerWaalsContact NZ-CG 3.27Å; K1054-D1072 IonicContact NZ-OD1 2.82Å; K1054-D1072 IonicContact NZ-OD2 3.01Å; K1054-D1072 PolarHBondContact NZ-OD2 3.29Å
1055E94.2Very high91.1Very high90 Ų9052.3 Ų52.342%0.42132%0.318SS..Hα-helixtrans-62.6-42.7177.8-72.617417800111.4R1011 N1051 L1058 S1059R1011-E1055 IonicContact CZ-OE2 3.79Å; R1011-E1055 IonicContact NE-OE2 2.72Å; R1011-E1055 PolarHBondContact NE-OE2 3.49Å; R1011-E1055 IonicContact NH2-OE2 3.15Å; R1011-E1055 PolarHBondContact NH2-OE2 2.97Å; N1051-E1055 HydrophobicContact CB-CG 4.44Å; N1051-E1055 WeakPolarHBondContact O-CB 3.38Å; N1051-E1055 WeakPolarHBondContact O-CG 3.45Å; N1051-E1055 PolarHBondContact O-N 2.96Å; E1055-L1058 PolarHBondContact O-N 3.19Å; E1055-S1059 PolarHBondContact O-N 2.7Å
1056V94.8Very high90.8Very high14 Ų1457.9 Ų57.99%0.08535%0.348CS..Hα-helixtrans-62.6-45.3176.5175.10000111R1011 Y1014 L1018 A1052 K1054 S1059R1011-V1056 HydrophobicContact CB-CG2 3.76Å; R1011-V1056 HydrophobicContact CG-CG2 3.89Å; Y1014-V1056 HydrophobicContact CD1-CB 4.28Å; Y1014-V1056 HydrophobicContact CD1-CG1 4.11Å; L1018-V1056 HydrophobicContact CD1-CG1 3.68Å; A1052-V1056 VanDerWaalsContact O-CG2 3.31Å; A1052-V1056 WeakPolarHBondContact O-CG2 3.26Å; A1052-V1056 PolarHBondContact O-N 3.09Å; K1054-V1056 VanDerWaalsContact C-N 3.35Å; V1056-S1059 WeakPolarHBondContact O-CB 3.39Å; V1056-S1059 PolarHBondContact O-N 3.29Å; V1056-S1059 PolarHBondContact O-OG 3.36Å
1057L94.1Very high90.6Very high0 Ų061.1 Ų61.10%037%0.368CS..Hα-helixtrans-64.7-41.1176.6-73.5161.7000112.3Y1014 L1018 Y1042 C1053 K1054 S1059 I1060 I1063 L1068 L1097 V1098Y1014-L1057 HydrophobicContact CE1-CD1 4.07Å; Y1014-L1057 HydrophobicContact CE1-CD2 4.33Å; Y1014-L1057 HydrophobicContact CE1-CG 3.97Å; L1018-L1057 HydrophobicContact CD1-CD2 3.9Å; L1018-L1057 HydrophobicContact CD1-CG 4.4Å; L1018-L1057 HydrophobicContact CD2-CD2 4.2Å; Y1042-L1057 HydrophobicContact CD2-CD1 4.02Å; Y1042-L1057 HydrophobicContact CE2-CD1 3.73Å; C1053-L1057 WeakPolarHBondContact O-CB 3.44Å; C1053-L1057 WeakPolarHBondContact O-CD1 3.48Å; C1053-L1057 WeakPolarHBondContact O-CG 3.47Å; C1053-L1057 PolarHBondContact O-N 3.27Å; K1054-L1057 PolarHBondContact O-N 3.5Å; L1057-S1059 PolarHBondContact O-N 2.98Å; L1057-I1060 WeakPolarHBondContact O-CB 3.47Å; L1057-I1060 PolarHBondContact O-N 3.23Å; L1057-I1060 VanDerWaalsContact O-N 3.1Å; L1057-I1063 HydrophobicContact CB-CD1 4.29Å; L1057-I1063 HydrophobicContact CD2-CD1 3.83Å; L1057-I1063 WeakPolarHBondContact O-CD1 3.48Å; L1057-L1068 HydrophobicContact CB-CD1 4.41Å; L1057-L1068 HydrophobicContact CB-CD2 4.35Å; L1057-L1068 HydrophobicContact CD1-CD1 3.66Å; L1057-L1097 HydrophobicContact CD1-CD2 4.08Å; L1057-V1098 HydrophobicContact CD2-CG1 3.86Å
1058L93.3Very high90.7Very high79 Ų7957 Ų5741%0.41433%0.333SS..Hα-helixtrans-69.1-18177.9-71.7170.1000113.2K1054 E1055 I1060 K1065 L1068K1054-L1058 WeakPolarHBondContact O-CB 3.4Å; K1054-L1058 VanDerWaalsContact O-CG 3.26Å; K1054-L1058 WeakPolarHBondContact O-CG 3.45Å; K1054-L1058 PolarHBondContact O-N 3.02Å; E1055-L1058 PolarHBondContact O-N 3.19Å; L1058-I1060 PolarHBondContact O-N 3.09Å; L1058-K1065 HydrophobicContact CD2-CB 4.09Å; L1058-K1065 HydrophobicContact CD2-CG 4.24Å; L1058-L1068 HydrophobicContact CD1-CD2 4.12Å; L1058-L1068 HydrophobicContact CD2-CD2 3.93Å; L1058-L1068 HydrophobicContact CG-CD2 3.67Å
1059S91.4Very high90.7Very high91 Ų9158.9 Ų58.964%0.63634%0.336SS*.THydrogen-bonded Turntrans-73.2-15.8172.578.30000113.1E1055 V1056 L1057E1055-S1059 PolarHBondContact O-N 2.7Å; V1056-S1059 WeakPolarHBondContact O-CB 3.39Å; V1056-S1059 PolarHBondContact O-N 3.29Å; V1056-S1059 PolarHBondContact O-OG 3.36Å; L1057-S1059 PolarHBondContact O-N 2.98Å
1060I86.7Confident90.5Very high25 Ų2560.1 Ų60.113%0.12835%0.351CS..SBendtrans-85.3127-179.5-61.9175.1000110.3L1018 L1057 L1058 G1062 I1063 I1101L1018-I1060 HydrophobicContact CB-CD1 4.26Å; L1018-I1060 HydrophobicContact CD1-CD1 3.54Å; L1018-I1060 HydrophobicContact CG-CD1 4.38Å; L1057-I1060 WeakPolarHBondContact O-CB 3.47Å; L1057-I1060 PolarHBondContact O-N 3.23Å; L1057-I1060 VanDerWaalsContact O-N 3.1Å; L1058-I1060 PolarHBondContact O-N 3.09Å; I1060-G1062 PolarHBondContact O-N 3.13Å; I1060-I1063 HydrophobicContact CB-CD1 3.87Å; I1060-I1063 HydrophobicContact CB-CG1 4.12Å; I1060-I1063 HydrophobicContact CD1-CD1 4.13Å; I1060-I1063 HydrophobicContact CG2-CD1 4.04Å; I1060-I1063 HydrophobicContact CG2-CG1 4.09Å; I1060-I1063 PolarHBondContact O-N 3.26Å; I1060-I1101 HydrophobicContact CD1-CD1 4.19Å; I1060-I1101 HydrophobicContact CD1-CG2 4.37Å; I1060-I1101 HydrophobicContact CG2-CG2 3.38Å
1061P83.2Confident90.6Very high115 Ų11557.3 Ų57.375%0.74733%0.332SS*.THydrogen-bonded Turntrans-57.6132.2176-22.232.1000112.3P1100P1061-P1100 WeakPolarHBondContact O-CB 3.18Å
1062G82.8Confident90.6Very high70 Ų7054 Ų5472%0.72231%0.314SS*.THydrogen-bonded Turntrans90.6-4174.300000116I1060 S1064I1060-G1062 PolarHBondContact O-N 3.13Å; G1062-S1064 PolarHBondContact O-N 3.48Å
1063I85.9Confident90.5Very high19 Ų1959 Ų5910%0.09734%0.337CS..  trans-78.6119.4171.9-61.6-165.5000109.7L1057 I1060 L1097 P1100L1057-I1063 HydrophobicContact CB-CD1 4.29Å; L1057-I1063 HydrophobicContact CD2-CD1 3.83Å; L1057-I1063 WeakPolarHBondContact O-CD1 3.48Å; I1060-I1063 HydrophobicContact CB-CD1 3.87Å; I1060-I1063 HydrophobicContact CB-CG1 4.12Å; I1060-I1063 HydrophobicContact CD1-CD1 4.13Å; I1060-I1063 HydrophobicContact CG2-CD1 4.04Å; I1060-I1063 HydrophobicContact CG2-CG1 4.09Å; I1060-I1063 PolarHBondContact O-N 3.26Å; I1063-L1097 HydrophobicContact CG2-CD1 4Å; I1063-P1100 HydrophobicContact CG1-CG 4.16Å
1064S86.7Confident90.3Very high46 Ų4663.7 Ų63.732%0.32236%0.357SS..  trans-72.7131.4176.3169.70000111G1062 D1066 D1067 L1068G1062-S1064 PolarHBondContact O-N 3.48Å; S1064-D1066 VanDerWaalsContact C-N 3.29Å; S1064-D1066 PolarHBondContact O-N 3.09Å; S1064-D1066 PolarHBondContact OG-N 3.38Å; S1064-D1067 WeakPolarHBondContact CB-OD2 3.33Å; S1064-D1067 PolarHBondContact O-N 2.84Å; S1064-D1067 PolarHBondContact OG-N 3.11Å; S1064-L1068 PolarHBondContact O-N 3.17Å; S1064-L1068 VanDerWaalsContact O-N 3.08Å
1065K89.8Confident90Very high123 Ų12361.2 Ų61.254%0.53535%0.346SS..Hα-helixtrans-61.2-39.4174.1-171.8180175.4-172.30111.6L1058 L1068 E1069L1058-K1065 HydrophobicContact CD2-CB 4.09Å; L1058-K1065 HydrophobicContact CD2-CG 4.24Å; K1065-L1068 PolarHBondContact O-N 3.34Å; K1065-E1069 VanDerWaalsContact CE-OE1 3.23Å; K1065-E1069 WeakPolarHBondContact CE-OE1 3.05Å; K1065-E1069 WeakPolarHBondContact O-CG 2.94Å; K1065-E1069 PolarHBondContact O-N 2.85Å
1066D89.1Confident89.8Confident118 Ų11860.9 Ų60.963%0.63135%0.345SS*.Hα-helixtrans-67.8-40.1-179.3-62.7-22.5000111.6S1064 L1068 E1069 A1070S1064-D1066 VanDerWaalsContact C-N 3.29Å; S1064-D1066 PolarHBondContact O-N 3.09Å; S1064-D1066 PolarHBondContact OG-N 3.38Å; D1066-L1068 VanDerWaalsContact C-N 3.33Å; D1066-E1069 PolarHBondContact O-N 3.46Å; D1066-A1070 WeakPolarHBondContact O-CB 3.42Å; D1066-A1070 PolarHBondContact O-N 3.14Å
1067D88.6Confident89.3Confident104 Ų10464.1 Ų64.156%0.55636%0.358SS*.Hα-helixtrans-67.2-36.9176.8-71.8-35.5000111.5S1064 A1070 F1071 L1097S1064-D1067 WeakPolarHBondContact CB-OD2 3.33Å; S1064-D1067 PolarHBondContact O-N 2.84Å; S1064-D1067 PolarHBondContact OG-N 3.11Å; D1067-A1070 PolarHBondContact O-N 3.46Å; D1067-F1071 WeakPolarHBondContact O-CB 3.19Å; D1067-F1071 PolarHBondContact O-N 3.12Å; D1067-L1097 HydrophobicContact CB-CD1 4.32Å
1068L92.4Very high88.9Confident4 Ų465.1 Ų65.12%0.02137%0.365CS..Hα-helixtrans-65.4-45174.4178.362.9000111.6Y1042 K1054 L1057 L1058 S1064 K1065 D1066 A1070 F1071 D1072 L1097Y1042-L1068 HydrophobicContact CE2-CD1 4.31Å; K1054-L1068 HydrophobicContact CB-CD2 4.16Å; K1054-L1068 HydrophobicContact CG-CD2 4.29Å; L1057-L1068 HydrophobicContact CB-CD1 4.41Å; L1057-L1068 HydrophobicContact CB-CD2 4.35Å; L1057-L1068 HydrophobicContact CD1-CD1 3.66Å; L1058-L1068 HydrophobicContact CD1-CD2 4.12Å; L1058-L1068 HydrophobicContact CD2-CD2 3.93Å; L1058-L1068 HydrophobicContact CG-CD2 3.67Å; S1064-L1068 PolarHBondContact O-N 3.17Å; S1064-L1068 VanDerWaalsContact O-N 3.08Å; K1065-L1068 PolarHBondContact O-N 3.34Å; D1066-L1068 VanDerWaalsContact C-N 3.33Å; L1068-A1070 VanDerWaalsContact C-N 3.34Å; L1068-F1071 PolarHBondContact O-N 3.4Å; L1068-D1072 WeakPolarHBondContact O-CB 3.42Å; L1068-D1072 PolarHBondContact O-N 2.74Å; L1068-L1097 HydrophobicContact CB-CD1 4.12Å; L1068-L1097 HydrophobicContact CD1-CD1 4.36Å; L1068-L1097 HydrophobicContact CD1-CD2 3.88Å
1069E92.8Very high88.2Confident103 Ų10364.1 Ų64.148%0.48136%0.364SS..Hα-helixtrans-63.1-41.2176.3-74.3-173.3-171.700111.2K1065 D1066 F1071 D1072 E1073K1065-E1069 VanDerWaalsContact CE-OE1 3.23Å; K1065-E1069 WeakPolarHBondContact CE-OE1 3.05Å; K1065-E1069 WeakPolarHBondContact O-CG 2.94Å; K1065-E1069 PolarHBondContact O-N 2.85Å; D1066-E1069 PolarHBondContact O-N 3.46Å; E1069-F1071 VanDerWaalsContact C-N 3.34Å; E1069-F1071 PolarHBondContact O-N 3.33Å; E1069-D1072 PolarHBondContact O-N 3.35Å; E1069-E1073 WeakPolarHBondContact O-CB 3.3Å; E1069-E1073 PolarHBondContact O-N 2.98Å
1070A90.7Very high87.9Confident49 Ų4964.9 Ų64.941%0.40536%0.361SS..Hα-helixtrans-65.5-34.9175.600000113.1D1066 D1067 L1068 K1074D1066-A1070 WeakPolarHBondContact O-CB 3.42Å; D1066-A1070 PolarHBondContact O-N 3.14Å; D1067-A1070 PolarHBondContact O-N 3.46Å; L1068-A1070 VanDerWaalsContact C-N 3.34Å; A1070-K1074 PolarHBondContact O-N 3.27Å
1071F91.9Very high87.4Confident11 Ų1166.6 Ų66.65%0.04839%0.385CS..Hα-helixtrans-66.4-48.8172.5176.7-98.8000111.1W1039 Y1042 D1067 L1068 E1069 E1073 K1074 M1075 M1093 F1094 L1097W1039-F1071 HydrophobicContact CB-CZ 4.32Å; Y1042-F1071 HydrophobicContact CD1-CD1 4.49Å; Y1042-F1071 AromaticContact CD1-CE1 3.79Å; Y1042-F1071 HydrophobicContact CD1-CE1 3.79Å; Y1042-F1071 HydrophobicContact CD2-CE1 4.32Å; Y1042-F1071 HydrophobicContact CE1-CD1 4.18Å; Y1042-F1071 AromaticContact CE1-CE1 3.94Å; Y1042-F1071 HydrophobicContact CE1-CE1 3.94Å; Y1042-F1071 HydrophobicContact CE2-CE1 4.45Å; Y1042-F1071 AromaticContact CG-CE1 4Å; Y1042-F1071 HydrophobicContact CG-CE1 4Å; D1067-F1071 WeakPolarHBondContact O-CB 3.19Å; D1067-F1071 PolarHBondContact O-N 3.12Å; L1068-F1071 PolarHBondContact O-N 3.4Å; E1069-F1071 VanDerWaalsContact C-N 3.34Å; E1069-F1071 PolarHBondContact O-N 3.33Å; F1071-E1073 PolarHBondContact O-N 3.23Å; F1071-K1074 PolarHBondContact O-N 3Å; F1071-M1075 HydrophobicContact CD1-CG 4.15Å; F1071-M1075 HydrophobicContact CD2-CG 4.46Å; F1071-M1075 HydrophobicContact CE1-CG 3.72Å; F1071-M1075 HydrophobicContact CE2-CG 4.06Å; F1071-M1075 HydrophobicContact CE2-SD 4.3Å; F1071-M1075 HydrophobicContact CZ-CG 3.66Å; F1071-M1075 HydrophobicContact CZ-SD 4.07Å; F1071-M1075 WeakPolarHBondContact O-CG 3.47Å; F1071-M1075 PolarHBondContact O-N 2.93Å; F1071-M1093 HydrophobicContact CD2-CB 3.88Å; F1071-M1093 HydrophobicContact CE2-CB 3.93Å; F1071-F1094 HydrophobicContact CE2-CB 4.32Å; F1071-F1094 HydrophobicContact CZ-CB 4.47Å; F1071-F1094 HydrophobicContact CZ-CD2 4.04Å; F1071-L1097 HydrophobicContact CB-CD2 4.35Å; F1071-L1097 HydrophobicContact CD1-CD2 3.94Å; F1071-L1097 HydrophobicContact CE1-CD2 4.41Å; F1071-L1097 HydrophobicContact CG-CD2 4.05Å
1072D92.6Very high87.2Confident16 Ų1665 Ų659%0.08638%0.376CS..Hα-helixtrans-59-45.8-180-17360.6000112.1Y1042 R1046 K1054 L1068 E1069 K1074 M1075 Q1076Y1042-D1072 WeakPolarHBondContact CE1-OD1 3.37Å; Y1042-D1072 PolarHBondContact OH-OD1 3.45Å; Y1042-D1072 VanDerWaalsContact OH-OD1 3.11Å; R1046-D1072 WeakPolarHBondContact CD-OD1 3.26Å; K1054-D1072 VanDerWaalsContact CE-OD1 3.28Å; K1054-D1072 WeakPolarHBondContact CE-OD1 3.46Å; K1054-D1072 WeakPolarHBondContact CE-OD2 3.4Å; K1054-D1072 VanDerWaalsContact NZ-CG 3.27Å; K1054-D1072 IonicContact NZ-OD1 2.82Å; K1054-D1072 IonicContact NZ-OD2 3.01Å; K1054-D1072 PolarHBondContact NZ-OD2 3.29Å; L1068-D1072 WeakPolarHBondContact O-CB 3.42Å; L1068-D1072 PolarHBondContact O-N 2.74Å; E1069-D1072 PolarHBondContact O-N 3.35Å; D1072-K1074 VanDerWaalsContact C-N 3.31Å; D1072-K1074 PolarHBondContact O-N 3.29Å; D1072-M1075 PolarHBondContact O-N 2.87Å; D1072-Q1076 WeakPolarHBondContact O-CB 3.47Å; D1072-Q1076 PolarHBondContact O-N 3.02Å
1073E90.8Very high87.1Confident105 Ų10564.9 Ų64.949%0.49136%0.362SS..Hα-helixtrans-64.4-36.1-179.6-150.1-157.9161.700112E1069 F1071 K1077E1069-E1073 WeakPolarHBondContact O-CB 3.3Å; E1069-E1073 PolarHBondContact O-N 2.98Å; F1071-E1073 PolarHBondContact O-N 3.23Å; E1073-K1077 VanDerWaalsContact CD-NZ 3.3Å; E1073-K1077 WeakPolarHBondContact O-CG 3Å; E1073-K1077 PolarHBondContact O-N 3.45Å; E1073-K1077 WeakPolarHBondContact OE1-CE 3.33Å; E1073-K1077 IonicContact OE1-NZ 2.74Å; E1073-K1077 PolarHBondContact OE1-NZ 2.87Å; E1073-K1077 IonicContact OE2-NZ 3.69Å
1074K89.4Confident86.8Confident103 Ų10373.8 Ų73.845%0.44840%0.4SS..Hα-helixtrans-70.4-42.2174.2-82.1-177.2-178.31680112.2A1070 F1071 D1072 Q1076 K1077 C1078 I1085 M1093A1070-K1074 PolarHBondContact O-N 3.27Å; F1071-K1074 PolarHBondContact O-N 3Å; D1072-K1074 VanDerWaalsContact C-N 3.31Å; D1072-K1074 PolarHBondContact O-N 3.29Å; K1074-Q1076 VanDerWaalsContact C-N 3.28Å; K1074-Q1076 PolarHBondContact O-N 3.02Å; K1074-K1077 PolarHBondContact O-N 3.37Å; K1074-C1078 PolarHBondContact O-N 2.96Å; K1074-I1085 HydrophobicContact CB-CD1 4.19Å; K1074-M1093 HydrophobicContact CD-CE 3.71Å; K1074-M1093 HydrophobicContact CD-SD 3.93Å
1075M89.2Confident86.7Confident0 Ų072.7 Ų72.70%039%0.39CS..Hα-helixtrans-61.2-41.6174.3-71-57.8-65.800109.9W1039 D1043 R1046 F1071 D1072 C1078 S1079 K1090W1039-M1075 HydrophobicContact CE3-CE 3.75Å; W1039-M1075 HydrophobicContact CZ3-CE 4.24Å; D1043-M1075 HydrophobicContact CB-CE 3.63Å; R1046-M1075 PolarHBondContact NH1-O 3.47Å; F1071-M1075 HydrophobicContact CD1-CG 4.15Å; F1071-M1075 HydrophobicContact CD2-CG 4.46Å; F1071-M1075 HydrophobicContact CE1-CG 3.72Å; F1071-M1075 HydrophobicContact CE2-CG 4.06Å; F1071-M1075 HydrophobicContact CE2-SD 4.3Å; F1071-M1075 HydrophobicContact CZ-CG 3.66Å; F1071-M1075 HydrophobicContact CZ-SD 4.07Å; F1071-M1075 WeakPolarHBondContact O-CG 3.47Å; F1071-M1075 PolarHBondContact O-N 2.93Å; D1072-M1075 PolarHBondContact O-N 2.87Å; M1075-C1078 CarbonylContact O-C 3.55Å; M1075-C1078 WeakPolarHBondContact O-CA 3.34Å; M1075-C1078 VanDerWaalsContact O-CB 3.29Å; M1075-C1078 WeakPolarHBondContact O-CB 3.44Å; M1075-C1078 PolarHBondContact O-N 3.36Å; M1075-S1079 PolarHBondContact O-N 3.29Å; M1075-S1079 PolarHBondContact O-OG 3.36Å; M1075-K1090 HydrophobicContact CE-CD 4.42Å; M1075-K1090 HydrophobicContact SD-CD 4.33Å; M1075-K1090 HydrophobicContact SD-CG 4.43Å
1076Q88.8Confident86.5Confident84 Ų8470.8 Ų70.839%0.39339%0.39SS..Hα-helixtrans-57.1-51.5173.8176.7164.219.100114.2R1046 D1072 K1074 C1078 S1079 D1080R1046-Q1076 VanDerWaalsContact CZ-CB 3.47Å; R1046-Q1076 VanDerWaalsContact NH1-N 3.16Å; R1046-Q1076 VanDerWaalsContact NH2-CA 3.28Å; R1046-Q1076 VanDerWaalsContact NH2-CB 3.34Å; R1046-Q1076 VanDerWaalsContact NH2-CG 3.29Å; D1072-Q1076 WeakPolarHBondContact O-CB 3.47Å; D1072-Q1076 PolarHBondContact O-N 3.02Å; K1074-Q1076 VanDerWaalsContact C-N 3.28Å; K1074-Q1076 PolarHBondContact O-N 3.02Å; Q1076-C1078 PolarHBondContact O-N 3.37Å; Q1076-C1078 VanDerWaalsContact O-N 3.15Å; Q1076-S1079 PolarHBondContact O-N 3.19Å; Q1076-D1080 WeakPolarHBondContact CG-OD2 3.41Å; Q1076-D1080 WeakPolarHBondContact O-CB 3.39Å; Q1076-D1080 PolarHBondContact O-N 3.04Å
1077K86Confident86.3Confident82 Ų8268.5 Ų68.536%0.35738%0.378SS..Hα-helixtrans-58.4-30.9175.3-72.5168.7-172163.10111.9E1073 K1074 S1082 V1083E1073-K1077 VanDerWaalsContact CD-NZ 3.3Å; E1073-K1077 WeakPolarHBondContact O-CG 3Å; E1073-K1077 PolarHBondContact O-N 3.45Å; E1073-K1077 WeakPolarHBondContact OE1-CE 3.33Å; E1073-K1077 IonicContact OE1-NZ 2.74Å; E1073-K1077 PolarHBondContact OE1-NZ 2.87Å; E1073-K1077 IonicContact OE2-NZ 3.69Å; K1074-K1077 PolarHBondContact O-N 3.37Å; K1077-S1082 VanDerWaalsContact C-OG 3.3Å; K1077-S1082 WeakPolarHBondContact CA-OG 3.35Å; K1077-S1082 VanDerWaalsContact CB-OG 3.31Å; K1077-S1082 WeakPolarHBondContact CB-OG 3.2Å; K1077-S1082 PolarHBondContact O-N 3.39Å; K1077-S1082 PolarHBondContact O-OG 2.8Å; K1077-V1083 HydrophobicContact CB-CB 4.39Å; K1077-V1083 HydrophobicContact CB-CG2 4.11Å; K1077-V1083 PolarHBondContact O-N 3.03Å; K1077-V1083 VanDerWaalsContact O-N 3.08Å
1078C84Confident86Confident21 Ų2171.4 Ų71.414%0.14239%0.386CS..Hα-helixtrans-73.4-46.3176.4-1610000113.2K1074 M1075 Q1076 D1080 G1081 V1083 I1085 K1090K1074-C1078 PolarHBondContact O-N 2.96Å; M1075-C1078 CarbonylContact O-C 3.55Å; M1075-C1078 WeakPolarHBondContact O-CA 3.34Å; M1075-C1078 VanDerWaalsContact O-CB 3.29Å; M1075-C1078 WeakPolarHBondContact O-CB 3.44Å; M1075-C1078 PolarHBondContact O-N 3.36Å; Q1076-C1078 PolarHBondContact O-N 3.37Å; Q1076-C1078 VanDerWaalsContact O-N 3.15Å; C1078-D1080 VanDerWaalsContact C-N 3.31Å; C1078-D1080 PolarHBondContact O-N 3.16Å; C1078-G1081 PolarHBondContact O-N 2.89Å; C1078-V1083 VanDerWaalsContact CA-O 3.29Å; C1078-V1083 WeakPolarHBondContact CA-O 3.15Å; C1078-V1083 PolarHBondContact SG-O 3.34Å; C1078-V1083 VanDerWaalsContact SG-O 3.4Å; C1078-I1085 HydrophobicContact CB-CD1 3.96Å; C1078-I1085 HydrophobicContact CB-CG1 4.16Å; C1078-K1090 VanDerWaalsContact SG-CE 3.54Å
1079S80.3Confident85.7Confident57 Ų5774.1 Ų74.140%0.39940%0.402SS..Hα-helixtrans-65.5-35.7179.8-30.70000111.6D1043 R1046 M1075 Q1076 G1081D1043-S1079 PolarHBondContact OD1-OG 2.78Å; R1046-S1079 PolarHBondContact NH1-OG 3.46Å; M1075-S1079 PolarHBondContact O-N 3.29Å; M1075-S1079 PolarHBondContact O-OG 3.36Å; Q1076-S1079 PolarHBondContact O-N 3.19Å; S1079-G1081 PolarHBondContact O-N 2.97Å
1080D83.6Confident85.5Confident107 Ų10770 Ų7057%0.57238%0.383SS*.THydrogen-bonded Turntrans-78.12.9179.4-58.4-8.2000112.4R1046 Q1076 C1078 S1082R1046-D1080 IonicContact NH2-OD1 3.93Å; Q1076-D1080 WeakPolarHBondContact CG-OD2 3.41Å; Q1076-D1080 WeakPolarHBondContact O-CB 3.39Å; Q1076-D1080 PolarHBondContact O-N 3.04Å; C1078-D1080 VanDerWaalsContact C-N 3.31Å; C1078-D1080 PolarHBondContact O-N 3.16Å; D1080-S1082 PolarHBondContact O-N 3.3Å
1081G77.7Confident85.4Confident61 Ų6172.2 Ų72.263%0.62938%0.381SS*.THydrogen-bonded Turntrans75-1.5178.700000115.2C1078 S1079 V1083C1078-G1081 PolarHBondContact O-N 2.89Å; S1079-G1081 PolarHBondContact O-N 2.97Å; G1081-V1083 VanDerWaalsContact C-N 3.32Å; G1081-V1083 PolarHBondContact O-N 3.11Å
1082S78.2Confident85.2Confident81 Ų8175.2 Ų75.257%0.56640%0.4SS*.SBendtrans-68.8-27.2-177.467.50000113.7K1077 D1080K1077-S1082 VanDerWaalsContact C-OG 3.3Å; K1077-S1082 WeakPolarHBondContact CA-OG 3.35Å; K1077-S1082 VanDerWaalsContact CB-OG 3.31Å; K1077-S1082 WeakPolarHBondContact CB-OG 3.2Å; K1077-S1082 PolarHBondContact O-N 3.39Å; K1077-S1082 PolarHBondContact O-OG 2.8Å; D1080-S1082 PolarHBondContact O-N 3.3Å
1083V79.9Confident85.1Confident69 Ų6976.6 Ų76.642%0.41841%0.406SS..SBendtrans-139.7126.9177.8-179.60000110.4K1077 C1078 G1081 I1085K1077-V1083 HydrophobicContact CB-CB 4.39Å; K1077-V1083 HydrophobicContact CB-CG2 4.11Å; K1077-V1083 PolarHBondContact O-N 3.03Å; K1077-V1083 VanDerWaalsContact O-N 3.08Å; C1078-V1083 VanDerWaalsContact CA-O 3.29Å; C1078-V1083 WeakPolarHBondContact CA-O 3.15Å; C1078-V1083 PolarHBondContact SG-O 3.34Å; C1078-V1083 VanDerWaalsContact SG-O 3.4Å; G1081-V1083 VanDerWaalsContact C-N 3.32Å; G1081-V1083 PolarHBondContact O-N 3.11Å; V1083-I1085 HydrophobicContact CG1-CG1 3.91Å; V1083-I1085 PolarHBondContact O-N 3.04Å
1084K81Confident85.2Confident206 Ų20671.6 Ų71.690%0.89638%0.383SS*.  trans-85.1112169.1-78.7-172.1176.1-1770110.5
1085I83.1Confident85.3Confident23 Ų2371.6 Ų71.612%0.11838%0.383CS..  trans-102.9120.4174.7-52.5179.9000108.7K1074 C1078 V1083 V1089 K1090K1074-I1085 HydrophobicContact CB-CD1 4.19Å; C1078-I1085 HydrophobicContact CB-CD1 3.96Å; C1078-I1085 HydrophobicContact CB-CG1 4.16Å; V1083-I1085 HydrophobicContact CG1-CG1 3.91Å; V1083-I1085 PolarHBondContact O-N 3.04Å; I1085-V1089 HydrophobicContact CG2-CB 3.86Å; I1085-V1089 HydrophobicContact CG2-CG1 3.76Å; I1085-K1090 HydrophobicContact CB-CG 4.13Å; I1085-K1090 HydrophobicContact CG2-CG 3.64Å; I1085-K1090 WeakPolarHBondContact O-CE 3.02Å
1086P85.7Confident85.2Confident83 Ų8377.9 Ų77.954%0.53941%0.41SS..  trans-62.2144.3175.8-20.731.2000112.3K1088 V1089 K1090P1086-K1088 VanDerWaalsContact C-N 3.25Å; P1086-K1088 PolarHBondContact O-N 3.2Å; P1086-K1088 VanDerWaalsContact O-N 3.16Å; P1086-V1089 HydrophobicContact CB-CG2 4.21Å; P1086-V1089 HydrophobicContact CG-CG2 4.18Å; P1086-V1089 WeakPolarHBondContact O-CA 3.38Å; P1086-V1089 VanDerWaalsContact O-CB 3.32Å; P1086-V1089 WeakPolarHBondContact O-CB 3.46Å; P1086-V1089 PolarHBondContact O-N 3.2Å; P1086-K1090 PolarHBondContact O-N 3.32Å; P1086-K1090 VanDerWaalsContact O-N 3.1Å
1087D85.1Confident85.2Confident70 Ų7074.4 Ų74.437%0.37439%0.394SS..Hα-helixtrans-53.6-40-178.5-76.114.8000113W1039 R1040 V1089 K1090 R1091W1039-D1087 HydrophobicContact CZ2-CB 4.19Å; R1040-D1087 IonicContact NH2-OD2 3.74Å; D1087-V1089 PolarHBondContact O-N 2.81Å; D1087-K1090 PolarHBondContact O-N 3.33Å; D1087-K1090 VanDerWaalsContact O-N 3.13Å; D1087-R1091 PolarHBondContact O-N 3.25Å
1088K82.1Confident85.4Confident165 Ų16570.5 Ų70.572%0.71738%0.377SS*.Hα-helixtrans-59-35.1175.9-161.6174.9-174.1176.60112.5P1086 T1092P1086-K1088 VanDerWaalsContact C-N 3.25Å; P1086-K1088 PolarHBondContact O-N 3.2Å; P1086-K1088 VanDerWaalsContact O-N 3.16Å; K1088-T1092 PolarHBondContact O-N 3.31Å; K1088-T1092 PolarHBondContact O-OG1 3.12Å
1089V86.2Confident85.4Confident60 Ų6074 Ų7436%0.36439%0.39SS..Hα-helixtrans-74.4-42.3177178.60000110.4I1085 P1086 D1087 R1091 T1092 M1093I1085-V1089 HydrophobicContact CG2-CB 3.86Å; I1085-V1089 HydrophobicContact CG2-CG1 3.76Å; P1086-V1089 HydrophobicContact CB-CG2 4.21Å; P1086-V1089 HydrophobicContact CG-CG2 4.18Å; P1086-V1089 WeakPolarHBondContact O-CA 3.38Å; P1086-V1089 VanDerWaalsContact O-CB 3.32Å; P1086-V1089 WeakPolarHBondContact O-CB 3.46Å; P1086-V1089 PolarHBondContact O-N 3.2Å; D1087-V1089 PolarHBondContact O-N 2.81Å; V1089-R1091 PolarHBondContact O-N 3.45Å; V1089-T1092 WeakPolarHBondContact O-CB 3.25Å; V1089-T1092 PolarHBondContact O-N 3.31Å; V1089-T1092 VanDerWaalsContact O-N 3.14Å; V1089-M1093 HydrophobicContact CG1-CE 3.5Å; V1089-M1093 VanDerWaalsContact CG1-CE 3.5Å; V1089-M1093 HydrophobicContact CG1-CG 4.48Å; V1089-M1093 HydrophobicContact CG1-SD 4.32Å; V1089-M1093 WeakPolarHBondContact O-CG 3.36Å; V1089-M1093 PolarHBondContact O-N 2.84Å
1090K89Confident85.5Confident18 Ų1873.4 Ų73.48%0.07839%0.385CS..Hα-helixtrans-58.9-47175.2-62.6-175.5179.8179.40111.7W1039 M1075 C1078 I1085 P1086 D1087 T1092 M1093 F1094W1039-K1090 HydrophobicContact CD2-CB 3.8Å; W1039-K1090 HydrophobicContact CD2-CD 3.95Å; W1039-K1090 HydrophobicContact CE3-CB 4.21Å; W1039-K1090 HydrophobicContact CE3-CD 3.55Å; W1039-K1090 HydrophobicContact CE3-CG 4.5Å; W1039-K1090 HydrophobicContact CG-CB 4.09Å; W1039-K1090 HydrophobicContact CH2-CD 3.46Å; W1039-K1090 VanDerWaalsContact CH2-CD 3.46Å; W1039-K1090 HydrophobicContact CZ2-CB 4.32Å; W1039-K1090 HydrophobicContact CZ2-CD 3.84Å; W1039-K1090 HydrophobicContact CZ3-CD 3.31Å; M1075-K1090 HydrophobicContact CE-CD 4.42Å; M1075-K1090 HydrophobicContact SD-CD 4.33Å; M1075-K1090 HydrophobicContact SD-CG 4.43Å; C1078-K1090 VanDerWaalsContact SG-CE 3.54Å; I1085-K1090 HydrophobicContact CB-CG 4.13Å; I1085-K1090 HydrophobicContact CG2-CG 3.64Å; I1085-K1090 WeakPolarHBondContact O-CE 3.02Å; P1086-K1090 PolarHBondContact O-N 3.32Å; P1086-K1090 VanDerWaalsContact O-N 3.1Å; D1087-K1090 PolarHBondContact O-N 3.33Å; D1087-K1090 VanDerWaalsContact O-N 3.13Å; K1090-T1092 VanDerWaalsContact C-N 3.28Å; K1090-T1092 PolarHBondContact O-N 3.11Å; K1090-M1093 PolarHBondContact O-N 3.32Å; K1090-M1093 VanDerWaalsContact O-N 3.17Å; K1090-F1094 PolarHBondContact O-N 3.04Å
1091R89.5Confident85.3Confident95 Ų9569 Ų6936%0.35836%0.361SS..Hα-helixtrans-54.9-44.4173.2-167.4-168.9-54.7-176.61.8111.9F1035 D1036 D1087 V1089 F1094 K1095F1035-R1091 HydrophobicContact CB-CG 3.74Å; D1036-R1091 WeakPolarHBondContact OD1-CB 3.38Å; D1036-R1091 WeakPolarHBondContact OD1-CG 3.48Å; D1036-R1091 IonicContact OD1-CZ 2.67Å; D1036-R1091 IonicContact OD1-NE 2.77Å; D1036-R1091 PolarHBondContact OD1-NE 2.95Å; D1036-R1091 IonicContact OD1-NH2 2.68Å; D1036-R1091 PolarHBondContact OD1-NH2 2.97Å; D1036-R1091 IonicContact OD2-CZ 3.52Å; D1036-R1091 IonicContact OD2-NE 3.8Å; D1036-R1091 PolarHBondContact OD2-NE 2.85Å; D1036-R1091 VanDerWaalsContact OD2-NE 3.15Å; D1036-R1091 IonicContact OD2-NH1 2.82Å; D1036-R1091 IonicContact OD2-NH2 3.81Å; D1036-R1091 PolarHBondContact OD2-NH2 2.99Å; D1087-R1091 PolarHBondContact O-N 3.25Å; V1089-R1091 PolarHBondContact O-N 3.45Å; R1091-F1094 PolarHBondContact O-N 3.14Å; R1091-K1095 VanDerWaalsContact O-CB 3.27Å; R1091-K1095 WeakPolarHBondContact O-CB 3.41Å; R1091-K1095 PolarHBondContact O-N 2.58Å
1092T87.8Confident84.7Confident73 Ų7366.9 Ų66.945%0.44834%0.338SS..Hα-helixtrans-67.4-39.2-179.7-51.60000111.9K1088 V1089 K1090 K1096K1088-T1092 PolarHBondContact O-N 3.31Å; K1088-T1092 PolarHBondContact O-OG1 3.12Å; V1089-T1092 WeakPolarHBondContact O-CB 3.25Å; V1089-T1092 PolarHBondContact O-N 3.31Å; V1089-T1092 VanDerWaalsContact O-N 3.14Å; K1090-T1092 VanDerWaalsContact C-N 3.28Å; K1090-T1092 PolarHBondContact O-N 3.11Å; T1092-K1096 WeakPolarHBondContact O-CG 3.48Å; T1092-K1096 PolarHBondContact O-N 3.36Å; T1092-K1096 VanDerWaalsContact O-N 3.14Å
1093M90.3Very high83.7Confident45 Ų4567.6 Ų67.622%0.22234%0.338CS..Hα-helixtrans-64.4-46.2175-69.2176.2-178.900110.9F1071 K1074 V1089 K1090 K1096 L1097F1071-M1093 HydrophobicContact CD2-CB 3.88Å; F1071-M1093 HydrophobicContact CE2-CB 3.93Å; K1074-M1093 HydrophobicContact CD-CE 3.71Å; K1074-M1093 HydrophobicContact CD-SD 3.93Å; V1089-M1093 HydrophobicContact CG1-CE 3.5Å; V1089-M1093 VanDerWaalsContact CG1-CE 3.5Å; V1089-M1093 HydrophobicContact CG1-CG 4.48Å; V1089-M1093 HydrophobicContact CG1-SD 4.32Å; V1089-M1093 WeakPolarHBondContact O-CG 3.36Å; V1089-M1093 PolarHBondContact O-N 2.84Å; K1090-M1093 PolarHBondContact O-N 3.32Å; K1090-M1093 VanDerWaalsContact O-N 3.17Å; M1093-K1096 WeakPolarHBondContact O-CB 3.5Å; M1093-K1096 PolarHBondContact O-N 2.83Å; M1093-L1097 PolarHBondContact O-N 3.18Å; M1093-L1097 VanDerWaalsContact O-N 3.12Å
1094F92.2Very high82.1Confident0 Ų067.6 Ų67.60%034%0.339CS..Hα-helixtrans-62.3-48.1177-170.8-101.3000112Y1014 L1018 F1035 W1039 F1071 K1090 R1091 K1096 L1097 V1098Y1014-F1094 VanDerWaalsContact OH-CE2 3.24Å; Y1014-F1094 WeakPolarHBondContact OH-CE2 3.4Å; L1018-F1094 HydrophobicContact CD2-CZ 4.13Å; F1035-F1094 HydrophobicContact CB-CD1 4.05Å; F1035-F1094 AromaticContact CD1-CD1 3.91Å; F1035-F1094 HydrophobicContact CD1-CD1 3.91Å; F1035-F1094 HydrophobicContact CD1-CE1 4.1Å; F1035-F1094 HydrophobicContact CG-CD1 4.34Å; W1039-F1094 HydrophobicContact CB-CB 3.94Å; W1039-F1094 HydrophobicContact CB-CD2 4.06Å; W1039-F1094 HydrophobicContact CB-CG 4.01Å; F1071-F1094 HydrophobicContact CE2-CB 4.32Å; F1071-F1094 HydrophobicContact CZ-CB 4.47Å; F1071-F1094 HydrophobicContact CZ-CD2 4.04Å; K1090-F1094 PolarHBondContact O-N 3.04Å; R1091-F1094 PolarHBondContact O-N 3.14Å; F1094-K1096 PolarHBondContact O-N 2.91Å; F1094-K1096 VanDerWaalsContact O-N 3.17Å; F1094-L1097 WeakPolarHBondContact O-CA 3.38Å; F1094-L1097 WeakPolarHBondContact O-CB 3.27Å; F1094-L1097 PolarHBondContact O-N 3.06Å; F1094-V1098 HydrophobicContact CD1-CG2 4.04Å; F1094-V1098 HydrophobicContact CE1-CG1 3.97Å; F1094-V1098 HydrophobicContact CE1-CG2 3.84Å; F1094-V1098 HydrophobicContact CE2-CG1 4.09Å; F1094-V1098 HydrophobicContact CZ-CG1 3.7Å; F1094-V1098 HydrophobicContact CZ-CG2 4.43Å; F1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; F1094-V1098 PolarHBondContact O-N 3Å
1095K90.6Very high80Confident103 Ų10367 Ų6745%0.44835%0.346SS..Hα-helixtrans-52.8-38.2174.8177.6172.9-177169.30112.4F1035 R1091 K1099F1035-K1095 HydrophobicContact CD2-CB 3.96Å; F1035-K1095 HydrophobicContact CD2-CD 4.19Å; F1035-K1095 HydrophobicContact CD2-CG 4.15Å; F1035-K1095 HydrophobicContact CE2-CB 3.9Å; F1035-K1095 HydrophobicContact CE2-CD 3.64Å; F1035-K1095 HydrophobicContact CE2-CG 3.59Å; F1035-K1095 HydrophobicContact CG-CB 4.38Å; F1035-K1095 HydrophobicContact CZ-CB 4.24Å; F1035-K1095 HydrophobicContact CZ-CD 4.35Å; F1035-K1095 HydrophobicContact CZ-CG 3.87Å; R1091-K1095 VanDerWaalsContact O-CB 3.27Å; R1091-K1095 WeakPolarHBondContact O-CB 3.41Å; R1091-K1095 PolarHBondContact O-N 2.58Å; K1095-K1099 PolarHBondContact O-N 3.02Å
1096K87.7Confident79.8Confident132 Ų13269.3 Ų69.357%0.57436%0.357SS*.Hα-helixtrans-68-42.1175.7-77.9-177.8174.2-168.50112.3T1092 M1093 F1094 K1099T1092-K1096 WeakPolarHBondContact O-CG 3.48Å; T1092-K1096 PolarHBondContact O-N 3.36Å; T1092-K1096 VanDerWaalsContact O-N 3.14Å; M1093-K1096 WeakPolarHBondContact O-CB 3.5Å; M1093-K1096 PolarHBondContact O-N 2.83Å; F1094-K1096 PolarHBondContact O-N 2.91Å; F1094-K1096 VanDerWaalsContact O-N 3.17Å; K1096-K1099 WeakPolarHBondContact O-CB 3.36Å; K1096-K1099 PolarHBondContact O-N 3.49Å
1097L89Confident79.5Confident12 Ų1268.5 Ų68.56%0.06335%0.348CS..Hα-helixtrans-63.6-44.9-179.6-175.267.4000111.8L1057 I1063 D1067 L1068 F1071 M1093 F1094 K1099L1057-L1097 HydrophobicContact CD1-CD2 4.08Å; I1063-L1097 HydrophobicContact CG2-CD1 4Å; D1067-L1097 HydrophobicContact CB-CD1 4.32Å; L1068-L1097 HydrophobicContact CB-CD1 4.12Å; L1068-L1097 HydrophobicContact CD1-CD1 4.36Å; L1068-L1097 HydrophobicContact CD1-CD2 3.88Å; F1071-L1097 HydrophobicContact CB-CD2 4.35Å; F1071-L1097 HydrophobicContact CD1-CD2 3.94Å; F1071-L1097 HydrophobicContact CE1-CD2 4.41Å; F1071-L1097 HydrophobicContact CG-CD2 4.05Å; M1093-L1097 PolarHBondContact O-N 3.18Å; M1093-L1097 VanDerWaalsContact O-N 3.12Å; F1094-L1097 WeakPolarHBondContact O-CA 3.38Å; F1094-L1097 WeakPolarHBondContact O-CB 3.27Å; F1094-L1097 PolarHBondContact O-N 3.06Å; L1097-K1099 VanDerWaalsContact C-N 3.33Å; L1097-K1099 PolarHBondContact O-N 3.4Å
1098V90.4Very high79.2Confident0 Ų068.4 Ų68.40%035%0.346CS..THydrogen-bonded Turntrans-92.515-179.1-58.90000113.7L1018 V1021 F1035 L1057 F1094 P1100 I1101 A1102L1018-V1098 HydrophobicContact CD2-CG1 3.99Å; V1021-V1098 HydrophobicContact CG1-CG2 4.4Å; F1035-V1098 HydrophobicContact CD1-CG2 3.99Å; F1035-V1098 HydrophobicContact CE1-CG2 3.63Å; L1057-V1098 HydrophobicContact CD2-CG1 3.86Å; F1094-V1098 HydrophobicContact CD1-CG2 4.04Å; F1094-V1098 HydrophobicContact CE1-CG1 3.97Å; F1094-V1098 HydrophobicContact CE1-CG2 3.84Å; F1094-V1098 HydrophobicContact CE2-CG1 4.09Å; F1094-V1098 HydrophobicContact CZ-CG1 3.7Å; F1094-V1098 HydrophobicContact CZ-CG2 4.43Å; F1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; F1094-V1098 PolarHBondContact O-N 3Å; V1098-P1100 VanDerWaalsContact C-N 3.28Å; V1098-I1101 HydrophobicContact CB-CD1 4.03Å; V1098-I1101 HydrophobicContact CB-CG1 3.96Å; V1098-I1101 HydrophobicContact CG1-CD1 4.48Å; V1098-I1101 WeakPolarHBondContact O-CG1 3.3Å; V1098-I1101 PolarHBondContact O-N 3.38Å; V1098-A1102 PolarHBondContact O-N 3.3Å
1099K83.6Confident79Confident94 Ų9462.8 Ų62.841%0.40932%0.324SS..Hα-helixtrans-52-38.6177-168.2-174.8177.6-165.40113.6K1095 K1096 L1097 I1101 A1102 V1103K1095-K1099 PolarHBondContact O-N 3.02Å; K1096-K1099 WeakPolarHBondContact O-CB 3.36Å; K1096-K1099 PolarHBondContact O-N 3.49Å; L1097-K1099 VanDerWaalsContact C-N 3.33Å; L1097-K1099 PolarHBondContact O-N 3.4Å; K1099-I1101 PolarHBondContact O-N 3.4Å; K1099-A1102 PolarHBondContact O-N 3.09Å; K1099-A1102 VanDerWaalsContact O-N 3.13Å; K1099-V1103 HydrophobicContact CG-CG2 3.81Å; K1099-V1103 WeakPolarHBondContact O-CG2 3.34Å; K1099-V1103 PolarHBondContact O-N 3.21Å
1100P81.8Confident78.6Confident44 Ų4462.9 Ų62.929%0.28632%0.322SS..Hα-helixtrans-56.3-32.2-179.5-27.436000114.6P1061 I1063 V1098 T1104P1061-P1100 WeakPolarHBondContact O-CB 3.18Å; I1063-P1100 HydrophobicContact CG1-CG 4.16Å; V1098-P1100 VanDerWaalsContact C-N 3.28Å; P1100-T1104 WeakPolarHBondContact O-CG2 3.29Å
1101I81.1Confident77.9Confident14 Ų1465.9 Ų65.97%0.07234%0.338CS..Hα-helixtrans-95.2-17179.154.4165.7000113.5L1018 V1021 Q1022 I1060 V1098 K1099 T1104L1018-I1101 HydrophobicContact CB-CD1 4.08Å; L1018-I1101 HydrophobicContact CD2-CD1 4.19Å; V1021-I1101 HydrophobicContact CB-CD1 4.22Å; V1021-I1101 HydrophobicContact CG1-CD1 3.86Å; V1021-I1101 HydrophobicContact CG1-CG1 4.15Å; Q1022-I1101 HydrophobicContact CB-CB 4.5Å; I1060-I1101 HydrophobicContact CD1-CD1 4.19Å; I1060-I1101 HydrophobicContact CD1-CG2 4.37Å; I1060-I1101 HydrophobicContact CG2-CG2 3.38Å; V1098-I1101 HydrophobicContact CB-CD1 4.03Å; V1098-I1101 HydrophobicContact CB-CG1 3.96Å; V1098-I1101 HydrophobicContact CG1-CD1 4.48Å; V1098-I1101 WeakPolarHBondContact O-CG1 3.3Å; V1098-I1101 PolarHBondContact O-N 3.38Å; K1099-I1101 PolarHBondContact O-N 3.4Å; I1101-T1104 PolarHBondContact O-OG1 3.36Å
1102A64.4Low77.1Confident18 Ų1863.9 Ų63.915%0.14934%0.337CS..Hα-helixtrans-87.1-7.6-17900000113.6V1021 F1035 V1098 K1099V1021-A1102 HydrophobicContact CG1-CB 4.41Å; F1035-A1102 HydrophobicContact CZ-CB 4.21Å; V1098-A1102 PolarHBondContact O-N 3.3Å; K1099-A1102 PolarHBondContact O-N 3.09Å; K1099-A1102 VanDerWaalsContact O-N 3.13Å
1103V57.6Low76.2Confident95 Ų9563.2 Ų63.258%0.57633%0.328SS*.SBendtrans-117.4-8.5-174.9-1760000112.3K1099 N1105K1099-V1103 HydrophobicContact CG-CG2 3.81Å; K1099-V1103 WeakPolarHBondContact O-CG2 3.34Å; K1099-V1103 PolarHBondContact O-N 3.21Å; V1103-N1105 PolarHBondContact O-N 3.15Å
1104T45.9Very low75.1Confident70 Ų7064.7 Ų64.743%0.42934%0.337SS..  trans-72.191.717842.60000111N1025 P1100 I1101N1025-T1104 PolarHBondContact ND2-O 3.26Å; P1100-T1104 WeakPolarHBondContact O-CG2 3.29Å; I1101-T1104 PolarHBondContact O-OG1 3.36Å
1105N36.5Very low73.5Confident194 Ų19470.5 Ų70.5100%1.03737%0.367SS*.  trans-151.20136.9-97.5-22.3000109.1V1103V1103-N1105 PolarHBondContact O-N 3.15Å

Retrieved 1,105 of 1,105 residues in 2905.7 ms (Link to these results)

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