A0A096MU71_PAPAN Loading...

Cullin associated and neddylation dissociated 1

AlphaFold DB (A7MBJ5), UniProt , Accession A0A096MU71, Species PAPAN (Papio anubis, Olive baboon), Gene CAND1, Length 1,230 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
1M44.1Very low70.6Confident199 Ų19975.1 Ų75.198%0.9843%0.43SS*.  0-45.10-75.1-156.7-8600112.7S3 A4M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.08Å; M1-A4 PolarHBondContact O-N 3.18Å
2A51Low72Confident88 Ų8870.3 Ų70.373%0.72740%0.402SS*.Hα-helixtrans-59.5-29.9-179.300000115.9Y6A2-Y6 PolarHBondContact O-N 3.4Å
3S60.3Low73.2Confident101 Ų10175.5 Ų75.571%0.70642%0.421SS*.Hα-helixtrans-70.5-35.7179.260.90000113.5M1 H7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.08Å; S3-H7 WeakPolarHBondContact O-CB 3.17Å; S3-H7 PolarHBondContact O-N 2.99Å; S3-H7 VanDerWaalsContact O-N 3.11Å
4A63.4Low74.2Confident39 Ų3977.4 Ų77.432%0.32242%0.423SS..Hα-helixtrans-71.4-45.8-178.800000111.5M1 Y6 H7 I8M1-A4 PolarHBondContact O-N 3.18Å; A4-Y6 VanDerWaalsContact C-N 3.31Å; A4-Y6 PolarHBondContact O-N 3.35Å; A4-H7 PolarHBondContact O-N 2.95Å; A4-I8 WeakPolarHBondContact O-CD1 3.2Å; A4-I8 WeakPolarHBondContact O-CG1 3.41Å; A4-I8 PolarHBondContact O-N 2.78Å
5S65.9Low75.2Confident37 Ų3772.4 Ų72.426%0.25940%0.395SS..Hα-helixtrans-63.2-35.7178.5-55.70000112.6S9S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.16Å; S5-S9 PolarHBondContact O-OG 3.35Å
6Y72.5Confident76.1Confident162 Ų16272.9 Ų72.964%0.63540%0.401SS*.Hα-helixtrans-69.6-41.6175.1-170.5-102.6000111.9A2 A4 S9 N10A2-Y6 PolarHBondContact O-N 3.4Å; A4-Y6 VanDerWaalsContact C-N 3.31Å; A4-Y6 PolarHBondContact O-N 3.35Å; Y6-S9 PolarHBondContact O-N 3.29Å; Y6-N10 WeakPolarHBondContact CE1-ND2 3.47Å; Y6-N10 PolarHBondContact O-N 3.11Å
7H80.3Confident76.8Confident80 Ų8070.6 Ų70.637%0.3739%0.391SS..Hα-helixtrans-62.3-46.5176.6-170.663000111.8S3 A4 S9 N10 L11S3-H7 WeakPolarHBondContact O-CB 3.17Å; S3-H7 PolarHBondContact O-N 2.99Å; S3-H7 VanDerWaalsContact O-N 3.11Å; A4-H7 PolarHBondContact O-N 2.95Å; H7-S9 VanDerWaalsContact C-N 3.34Å; H7-S9 PolarHBondContact O-N 3.42Å; H7-N10 PolarHBondContact O-N 3.31Å; H7-L11 WeakPolarHBondContact O-CG 3.24Å; H7-L11 PolarHBondContact O-N 2.94Å
8I82Confident77.3Confident6 Ų673.5 Ų73.53%0.03142%0.417CS..Hα-helixtrans-62-42176.8-66.6158.8000111A4 N10 L11 L12 I39 L41 V49A4-I8 WeakPolarHBondContact O-CD1 3.2Å; A4-I8 WeakPolarHBondContact O-CG1 3.41Å; A4-I8 PolarHBondContact O-N 2.78Å; I8-N10 VanDerWaalsContact C-N 3.32Å; I8-N10 PolarHBondContact O-N 3Å; I8-L11 PolarHBondContact O-N 3.36Å; I8-L12 HydrophobicContact CG2-CD1 4.01Å; I8-L12 HydrophobicContact CG2-CG 4.28Å; I8-L12 VanDerWaalsContact O-CG 3.29Å; I8-L12 WeakPolarHBondContact O-CG 3.23Å; I8-L12 PolarHBondContact O-N 3.12Å; I8-I39 HydrophobicContact CD1-CD1 4.47Å; I8-L41 HydrophobicContact CD1-CD2 3.31Å; I8-L41 HydrophobicContact CG1-CD2 4.43Å; I8-V49 HydrophobicContact CG2-CG2 3.7Å
9S82.3Confident77.9Confident56 Ų5673 Ų7339%0.39241%0.413SS..Hα-helixtrans-60.4-41.2177.4-61.70000112.1S5 Y6 H7 L12 E13S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.16Å; S5-S9 PolarHBondContact O-OG 3.35Å; Y6-S9 PolarHBondContact O-N 3.29Å; H7-S9 VanDerWaalsContact C-N 3.34Å; H7-S9 PolarHBondContact O-N 3.42Å; S9-L12 PolarHBondContact O-N 3.32Å; S9-E13 PolarHBondContact O-N 3.03Å; S9-E13 VanDerWaalsContact O-N 3.1Å
10N86.7Confident78.5Confident54 Ų5474.1 Ų74.129%0.28941%0.413SS..Hα-helixtrans-66.4-37.7175.5-74.2-14.1000112.6Y6 H7 I8 E13 K14Y6-N10 WeakPolarHBondContact CE1-ND2 3.47Å; Y6-N10 PolarHBondContact O-N 3.11Å; H7-N10 PolarHBondContact O-N 3.31Å; I8-N10 VanDerWaalsContact C-N 3.32Å; I8-N10 PolarHBondContact O-N 3Å; N10-E13 PolarHBondContact O-N 3.36Å; N10-K14 WeakPolarHBondContact O-CG 3.3Å; N10-K14 PolarHBondContact O-N 3.29Å; N10-K14 VanDerWaalsContact O-N 3.16Å
11L88.3Confident79Confident4 Ų474.6 Ų74.62%0.02142%0.415CS..Hα-helixtrans-64.2-44.8174.5-67.4176.5000110.8H7 I8 E13 K14 M15 A26 D29 L30H7-L11 WeakPolarHBondContact O-CG 3.24Å; H7-L11 PolarHBondContact O-N 2.94Å; I8-L11 PolarHBondContact O-N 3.36Å; L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.31Å; L11-K14 PolarHBondContact O-N 2.98Å; L11-M15 VanDerWaalsContact O-CG 3.3Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.46Å; L11-A26 HydrophobicContact CD2-CB 4.41Å; L11-D29 HydrophobicContact CD1-CB 4.38Å; L11-D29 HydrophobicContact CD2-CB 3.72Å; L11-L30 HydrophobicContact CD1-CB 4.22Å; L11-L30 HydrophobicContact CD1-CD1 4.41Å
12L87.3Confident81.1Confident18 Ų1869.8 Ų69.89%0.09439%0.389CS..Hα-helixtrans-60.4-36.9178-70.2171.5000112.8I8 S9 M15 K48 V49 M52I8-L12 HydrophobicContact CG2-CD1 4.01Å; I8-L12 HydrophobicContact CG2-CG 4.28Å; I8-L12 VanDerWaalsContact O-CG 3.29Å; I8-L12 WeakPolarHBondContact O-CG 3.23Å; I8-L12 PolarHBondContact O-N 3.12Å; S9-L12 PolarHBondContact O-N 3.32Å; L12-M15 HydrophobicContact CD2-SD 4.31Å; L12-K48 HydrophobicContact CD1-CB 3.77Å; L12-V49 HydrophobicContact CD1-CG2 4.38Å; L12-V49 HydrophobicContact CD2-CG2 4.16Å; L12-M52 HydrophobicContact CD2-CB 3.65Å; L12-M52 HydrophobicContact CD2-CG 3.97Å
13E87.3Confident83.1Confident138 Ų13867 Ų6765%0.64536%0.36SS*.Hα-helixtrans-67.2-46.6175.3-169.7175.1-17400111.2S9 N10 L11 M15 T16S9-E13 PolarHBondContact O-N 3.03Å; S9-E13 VanDerWaalsContact O-N 3.1Å; N10-E13 PolarHBondContact O-N 3.36Å; L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.31Å; E13-M15 VanDerWaalsContact C-N 3.27Å; E13-M15 PolarHBondContact O-N 3.25Å; E13-T16 PolarHBondContact O-N 2.94Å; E13-T16 PolarHBondContact O-OG1 3.26Å
14K87.9Confident84.6Confident102 Ų10265.8 Ų65.844%0.44334%0.342SS..Hα-helixtrans-62-32.2177.2-71.3179.2179.2-176.80113.1N10 L11 T16 S17 A26N10-K14 WeakPolarHBondContact O-CG 3.3Å; N10-K14 PolarHBondContact O-N 3.29Å; N10-K14 VanDerWaalsContact O-N 3.16Å; L11-K14 PolarHBondContact O-N 2.98Å; K14-T16 PolarHBondContact O-N 3.32Å; K14-S17 WeakPolarHBondContact O-CB 3.25Å; K14-S17 PolarHBondContact O-N 3.05Å; K14-S17 VanDerWaalsContact O-N 3.1Å; K14-A26 HydrophobicContact CB-CB 3.64Å
15M89.4Confident85.9Confident2 Ų268.3 Ų68.31%0.0135%0.348CS..THydrogen-bonded Turntrans-63.3-16.6173-72.6175.9-17800113.7L11 L12 E13 R23 A26 L30 M52 L56L11-M15 VanDerWaalsContact O-CG 3.3Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.46Å; L12-M15 HydrophobicContact CD2-SD 4.31Å; E13-M15 VanDerWaalsContact C-N 3.27Å; E13-M15 PolarHBondContact O-N 3.25Å; M15-R23 WeakPolarHBondContact O-CD 3.13Å; M15-R23 WeakPolarHBondContact O-CG 3.23Å; M15-A26 HydrophobicContact CE-CB 4.47Å; M15-A26 VanDerWaalsContact CE-O 3.3Å; M15-A26 WeakPolarHBondContact CE-O 3.46Å; M15-A26 HydrophobicContact CG-CB 3.82Å; M15-L30 HydrophobicContact CE-CB 3.59Å; M15-L30 HydrophobicContact CE-CD2 3.4Å; M15-L30 VanDerWaalsContact CE-CD2 3.4Å; M15-L30 HydrophobicContact CE-CG 4.1Å; M15-L30 HydrophobicContact SD-CD2 4.36Å; M15-M52 HydrophobicContact CB-CG 3.85Å; M15-M52 HydrophobicContact CB-SD 4.17Å; M15-M52 HydrophobicContact CG-CG 4.42Å; M15-M52 HydrophobicContact SD-CG 3.68Å; M15-L56 HydrophobicContact CB-CD1 4.29Å; M15-L56 HydrophobicContact CG-CD1 4.11Å; M15-L56 HydrophobicContact SD-CD1 4.02Å
16T88.2Confident87.2Confident80 Ų8066.6 Ų66.649%0.49134%0.336SS..THydrogen-bonded Turntrans-96.71.1175.565.40000114.2E13 K14 M52E13-T16 PolarHBondContact O-N 2.94Å; E13-T16 PolarHBondContact O-OG1 3.26Å; K14-T16 PolarHBondContact O-N 3.32Å; T16-M52 HydrophobicContact CG2-CE 3.33Å; T16-M52 HydrophobicContact CG2-SD 3.88Å
17S88.5Confident88.1Confident34 Ų3458.9 Ų58.924%0.23831%0.306CS..  trans-58.5147.6180-175.20000111.9K14 D19 R23K14-S17 WeakPolarHBondContact O-CB 3.25Å; K14-S17 PolarHBondContact O-N 3.05Å; K14-S17 VanDerWaalsContact O-N 3.1Å; S17-D19 PolarHBondContact O-N 2.81Å; S17-D19 PolarHBondContact OG-N 3.41Å; S17-R23 VanDerWaalsContact O-CD 3.3Å; S17-R23 WeakPolarHBondContact O-CD 3.43Å; S17-R23 WeakPolarHBondContact O-CG 3.41Å; S17-R23 PolarHBondContact O-NH1 2.83Å
18S86.4Confident88.6Confident123 Ų12357.9 Ų57.986%0.8630%0.303SS*.SBendtrans-65.8-25.9171.950.30000112.3R23S18-R23 VanDerWaalsContact C-NH1 3.26Å; S18-R23 PolarHBondContact O-NH1 3.08Å
19D88.6Confident89.1Confident64 Ų6460.9 Ų60.934%0.34232%0.319SS..SBendtrans-80.2129.2179.4-165.1-30.1000111.8S17 D21 F22 R23S17-D19 PolarHBondContact O-N 2.81Å; S17-D19 PolarHBondContact OG-N 3.41Å; D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 3.41Å; D19-D21 PolarHBondContact OD1-N 3.16Å; D19-F22 HydrophobicContact CB-CB 4.32Å; D19-F22 HydrophobicContact CB-CD2 3.69Å; D19-F22 HydrophobicContact CB-CG 4.46Å; D19-R23 VanDerWaalsContact C-NH1 3.34Å; D19-R23 WeakPolarHBondContact O-CG 3.32Å; D19-R23 PolarHBondContact O-N 3.4Å; D19-R23 PolarHBondContact O-NH1 2.99Å
20K89Confident89.4Confident95 Ų9558.3 Ų58.341%0.41330%0.301SS..Hα-helixtrans-63.9-33.9178.164.7168.8-166.4164.40112.4R23 F24K20-R23 PolarHBondContact O-N 3.2Å; K20-F24 WeakPolarHBondContact O-CB 3.37Å; K20-F24 PolarHBondContact O-N 3.2Å
21D89.4Confident89.5Confident85 Ų8557 Ų5746%0.45529%0.294SS..Hα-helixtrans-74-38.4-172.9-65.7-23.8000109.6D19 F24 M25D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 3.41Å; D19-D21 PolarHBondContact OD1-N 3.16Å; D21-F24 PolarHBondContact O-N 2.85Å; D21-M25 HydrophobicContact CB-CE 4.36Å; D21-M25 WeakPolarHBondContact O-CB 3.43Å; D21-M25 WeakPolarHBondContact O-CE 3.41Å; D21-M25 VanDerWaalsContact O-CG 3.3Å; D21-M25 WeakPolarHBondContact O-CG 3.34Å; D21-M25 PolarHBondContact O-N 3.3Å
22F89Confident89.5Confident97 Ų9759.7 Ų59.743%0.42531%0.31SS..Hα-helixtrans-63-40.8171.7-79.7-57.3000112.4D19 M25 A26D19-F22 HydrophobicContact CB-CB 4.32Å; D19-F22 HydrophobicContact CB-CD2 3.69Å; D19-F22 HydrophobicContact CB-CG 4.46Å; F22-M25 HydrophobicContact CD1-CE 3.91Å; F22-M25 HydrophobicContact CE1-CE 4.24Å; F22-A26 WeakPolarHBondContact O-CB 3.34Å; F22-A26 PolarHBondContact O-N 3.26Å
23R93Very high89.5Confident30 Ų3061.1 Ų61.111%0.11332%0.317CS..Hα-helixtrans-65.8-45175.7-64-163.5-57.1-80.12.3111.5M15 S17 S18 D19 K20 A26 T27 D59 V64M15-R23 WeakPolarHBondContact O-CD 3.13Å; M15-R23 WeakPolarHBondContact O-CG 3.23Å; S17-R23 VanDerWaalsContact O-CD 3.3Å; S17-R23 WeakPolarHBondContact O-CD 3.43Å; S17-R23 WeakPolarHBondContact O-CG 3.41Å; S17-R23 PolarHBondContact O-NH1 2.83Å; S18-R23 VanDerWaalsContact C-NH1 3.26Å; S18-R23 PolarHBondContact O-NH1 3.08Å; D19-R23 VanDerWaalsContact C-NH1 3.34Å; D19-R23 WeakPolarHBondContact O-CG 3.32Å; D19-R23 PolarHBondContact O-N 3.4Å; D19-R23 PolarHBondContact O-NH1 2.99Å; K20-R23 PolarHBondContact O-N 3.2Å; R23-A26 PolarHBondContact O-N 2.99Å; R23-T27 WeakPolarHBondContact O-CB 3.31Å; R23-T27 PolarHBondContact O-N 3.01Å; R23-T27 PolarHBondContact O-OG1 2.82Å; R23-D59 IonicContact CZ-OD1 3.15Å; R23-D59 IonicContact CZ-OD2 3.74Å; R23-D59 IonicContact NE-OD1 3.12Å; R23-D59 IonicContact NE-OD2 2.68Å; R23-D59 PolarHBondContact NE-OD2 3.45Å; R23-D59 IonicContact NH2-OD1 2.73Å; R23-D59 PolarHBondContact NH2-OD1 3.42Å; R23-D59 IonicContact NH2-OD2 3.67Å; R23-D59 PolarHBondContact NH2-OD2 3.15Å; R23-V64 HydrophobicContact CB-CG1 4.3Å; R23-V64 HydrophobicContact CB-CG2 4.41Å
24F91.9Very high89.4Confident75 Ų7554.6 Ų54.633%0.32929%0.286SS..Hα-helixtrans-60.8-51.2177.6-174.7-87.6000112K20 D21 A26 T27 N28 E63 V64 L67K20-F24 WeakPolarHBondContact O-CB 3.37Å; K20-F24 PolarHBondContact O-N 3.2Å; D21-F24 PolarHBondContact O-N 2.85Å; F24-A26 PolarHBondContact O-N 3.09Å; F24-T27 PolarHBondContact O-N 2.67Å; F24-N28 WeakPolarHBondContact O-CB 3.46Å; F24-N28 PolarHBondContact O-N 3.2Å; F24-E63 HydrophobicContact CD2-CB 4.08Å; F24-E63 HydrophobicContact CE2-CB 4Å; F24-V64 HydrophobicContact CB-CG2 4.15Å; F24-V64 HydrophobicContact CD2-CG2 4.49Å; F24-L67 HydrophobicContact CD1-CD2 4.39Å; F24-L67 HydrophobicContact CD2-CD2 3.83Å; F24-L67 HydrophobicContact CE1-CD2 4.36Å; F24-L67 HydrophobicContact CE2-CB 4.43Å; F24-L67 HydrophobicContact CE2-CD2 3.8Å; F24-L67 HydrophobicContact CG-CD2 4.13Å; F24-L67 HydrophobicContact CZ-CD2 4.08Å; F24-L67 VanDerWaalsContact O-CD2 3.28Å; F24-L67 WeakPolarHBondContact O-CD2 3.42Å
25M90.8Very high89.3Confident92 Ų9255.5 Ų55.545%0.45329%0.292SS..Hα-helixtrans-59.7-46.4178.5-73.2-174.6-73.200111.8D21 F22 T27 N28 D29D21-M25 HydrophobicContact CB-CE 4.36Å; D21-M25 WeakPolarHBondContact O-CB 3.43Å; D21-M25 WeakPolarHBondContact O-CE 3.41Å; D21-M25 VanDerWaalsContact O-CG 3.3Å; D21-M25 WeakPolarHBondContact O-CG 3.34Å; D21-M25 PolarHBondContact O-N 3.3Å; F22-M25 HydrophobicContact CD1-CE 3.91Å; F22-M25 HydrophobicContact CE1-CE 4.24Å; M25-T27 VanDerWaalsContact C-N 3.31Å; M25-T27 PolarHBondContact O-N 3.27Å; M25-N28 PolarHBondContact O-N 3.33Å; M25-D29 WeakPolarHBondContact O-CB 3.28Å; M25-D29 VanDerWaalsContact O-CG 3.25Å; M25-D29 PolarHBondContact O-N 2.9Å
26A91.8Very high89.1Confident1 Ų159.6 Ų59.61%0.00831%0.31CS..Hα-helixtrans-62.7-38.2179.900000112.4L11 K14 M15 F22 R23 F24 L30L11-A26 HydrophobicContact CD2-CB 4.41Å; K14-A26 HydrophobicContact CB-CB 3.64Å; M15-A26 HydrophobicContact CE-CB 4.47Å; M15-A26 VanDerWaalsContact CE-O 3.3Å; M15-A26 WeakPolarHBondContact CE-O 3.46Å; M15-A26 HydrophobicContact CG-CB 3.82Å; F22-A26 WeakPolarHBondContact O-CB 3.34Å; F22-A26 PolarHBondContact O-N 3.26Å; R23-A26 PolarHBondContact O-N 2.99Å; F24-A26 PolarHBondContact O-N 3.09Å; A26-L30 WeakPolarHBondContact O-CB 3.05Å; A26-L30 PolarHBondContact O-N 3.25Å
27T90.9Very high88.3Confident0 Ų062.9 Ų62.90%032%0.324CS..Hα-helixtrans-69.9-36.6175.9-53.50000111.5R23 F24 M25 L30 M31 I53 L56 L67R23-T27 WeakPolarHBondContact O-CB 3.31Å; R23-T27 PolarHBondContact O-N 3.01Å; R23-T27 PolarHBondContact O-OG1 2.82Å; F24-T27 PolarHBondContact O-N 2.67Å; M25-T27 VanDerWaalsContact C-N 3.31Å; M25-T27 PolarHBondContact O-N 3.27Å; T27-L30 PolarHBondContact O-N 3.5Å; T27-M31 PolarHBondContact O-N 3.15Å; T27-I53 HydrophobicContact CG2-CD1 4.36Å; T27-L56 HydrophobicContact CG2-CD1 4.38Å; T27-L56 WeakPolarHBondContact OG1-CD1 3.15Å; T27-L67 HydrophobicContact CG2-CB 4.28Å; T27-L67 HydrophobicContact CG2-CD2 4Å; T27-L67 HydrophobicContact CG2-CG 3.79Å
28N91.9Very high87.6Confident60 Ų6066.1 Ų66.132%0.32135%0.347SS..Hα-helixtrans-68.4-41.1176.8-169.363.5000112F24 M25 M31 T32 L67F24-N28 WeakPolarHBondContact O-CB 3.46Å; F24-N28 PolarHBondContact O-N 3.2Å; M25-N28 PolarHBondContact O-N 3.33Å; N28-M31 WeakPolarHBondContact O-CB 3.31Å; N28-M31 PolarHBondContact O-N 3.43Å; N28-M31 WeakPolarHBondContact OD1-CE 3.4Å; N28-T32 PolarHBondContact O-N 3.46Å; N28-T32 PolarHBondContact O-OG1 2.89Å; N28-L67 HydrophobicContact CB-CD2 3.88Å
29D91.3Very high87.1Confident68 Ų6861.2 Ų61.236%0.36431%0.311SS..Hα-helixtrans-63.1-44.4174.8-70-13000110.4L11 M25 M31 T32 E33L11-D29 HydrophobicContact CD1-CB 4.38Å; L11-D29 HydrophobicContact CD2-CB 3.72Å; M25-D29 WeakPolarHBondContact O-CB 3.28Å; M25-D29 VanDerWaalsContact O-CG 3.25Å; M25-D29 PolarHBondContact O-N 2.9Å; D29-M31 VanDerWaalsContact C-N 3.34Å; D29-M31 PolarHBondContact O-N 2.64Å; D29-T32 PolarHBondContact O-N 3.35Å; D29-E33 WeakPolarHBondContact O-CG 3.42Å; D29-E33 PolarHBondContact O-N 3Å
30L90.2Very high86.3Confident2 Ų266.8 Ų66.81%0.0133%0.332CS..Hα-helixtrans-61.1-41.9174.9-178.166.8000111.9L11 M15 A26 T27 T32 E33 L34 V49 I53L11-L30 HydrophobicContact CD1-CB 4.22Å; L11-L30 HydrophobicContact CD1-CD1 4.41Å; M15-L30 HydrophobicContact CE-CB 3.59Å; M15-L30 HydrophobicContact CE-CD2 3.4Å; M15-L30 VanDerWaalsContact CE-CD2 3.4Å; M15-L30 HydrophobicContact CE-CG 4.1Å; M15-L30 HydrophobicContact SD-CD2 4.36Å; A26-L30 WeakPolarHBondContact O-CB 3.05Å; A26-L30 PolarHBondContact O-N 3.25Å; T27-L30 PolarHBondContact O-N 3.5Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 3.28Å; L30-E33 PolarHBondContact O-N 3.41Å; L30-L34 HydrophobicContact CD1-CD1 4.46Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CD2-CD1 4.43Å; L30-L34 HydrophobicContact CG-CD1 3.99Å; L30-L34 HydrophobicContact CG-CG 4.27Å; L30-L34 WeakPolarHBondContact O-CB 3.32Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.43Å; L30-L34 PolarHBondContact O-N 3.44Å; L30-V49 HydrophobicContact CD2-CG1 4.02Å; L30-I53 HydrophobicContact CD2-CD1 3.93Å; L30-I53 HydrophobicContact CD2-CG1 4.27Å
31M89.2Confident85.8Confident27 Ų2763.2 Ų63.213%0.13332%0.317CS..Hα-helixtrans-57.8-46.7175.7-169.5176.262.700111.3T27 N28 D29 E33 L34 Q35 L67 K70T27-M31 PolarHBondContact O-N 3.15Å; N28-M31 WeakPolarHBondContact O-CB 3.31Å; N28-M31 PolarHBondContact O-N 3.43Å; N28-M31 WeakPolarHBondContact OD1-CE 3.4Å; D29-M31 VanDerWaalsContact C-N 3.34Å; D29-M31 PolarHBondContact O-N 2.64Å; M31-E33 VanDerWaalsContact C-N 3.29Å; M31-E33 PolarHBondContact O-N 3.05Å; M31-L34 PolarHBondContact O-N 2.95Å; M31-Q35 WeakPolarHBondContact O-CG 3.24Å; M31-Q35 PolarHBondContact O-N 3.08Å; M31-L67 HydrophobicContact CE-CD1 3.89Å; M31-L67 HydrophobicContact SD-CD1 3.94Å; M31-K70 HydrophobicContact SD-CB 3.86Å
32T88.4Confident85.5Confident60 Ų6062.8 Ų62.837%0.36832%0.315SS..Hα-helixtrans-62.3-37.6178.9-51.80000111.4N28 D29 L30N28-T32 PolarHBondContact O-N 3.46Å; N28-T32 PolarHBondContact O-OG1 2.89Å; D29-T32 PolarHBondContact O-N 3.35Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 3.28Å
33E85.9Confident85.2Confident49 Ų4961.8 Ų61.823%0.22931%0.314CS..Hα-helixtrans-71.2-39.8175-70.7-57.3138.900112.8D29 L30 M31 Q35 K36 I39D29-E33 WeakPolarHBondContact O-CG 3.42Å; D29-E33 PolarHBondContact O-N 3Å; L30-E33 PolarHBondContact O-N 3.41Å; M31-E33 VanDerWaalsContact C-N 3.29Å; M31-E33 PolarHBondContact O-N 3.05Å; E33-Q35 VanDerWaalsContact C-N 3.27Å; E33-Q35 PolarHBondContact O-N 3.18Å; E33-K36 VanDerWaalsContact CD-NZ 3.31Å; E33-K36 WeakPolarHBondContact O-CB 3.22Å; E33-K36 PolarHBondContact O-N 3.13Å; E33-K36 VanDerWaalsContact O-N 3.16Å; E33-K36 IonicContact OE1-NZ 2.62Å; E33-K36 PolarHBondContact OE1-NZ 3.46Å; E33-K36 IonicContact OE2-NZ 3.57Å; E33-K36 PolarHBondContact OE2-NZ 2.8Å; E33-I39 HydrophobicContact CB-CD1 4.07Å
34L86.1Confident84.8Confident1 Ų164.5 Ų64.51%0.00533%0.331CS..Hα-helixtrans-65.9-28.8177.5-72.3171000112.8L30 M31 K36 I39 L41 P74 L75 K78L30-L34 HydrophobicContact CD1-CD1 4.46Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CD2-CD1 4.43Å; L30-L34 HydrophobicContact CG-CD1 3.99Å; L30-L34 HydrophobicContact CG-CG 4.27Å; L30-L34 WeakPolarHBondContact O-CB 3.32Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.43Å; L30-L34 PolarHBondContact O-N 3.44Å; M31-L34 PolarHBondContact O-N 2.95Å; L34-K36 VanDerWaalsContact C-N 3.26Å; L34-K36 PolarHBondContact O-N 3.05Å; L34-I39 HydrophobicContact CD2-CD1 4.48Å; L34-L41 HydrophobicContact CD2-CD1 4.38Å; L34-P74 HydrophobicContact CB-CB 3.81Å; L34-L75 HydrophobicContact CD1-CB 4.15Å; L34-L75 HydrophobicContact CD1-CD1 4.2Å; L34-L75 HydrophobicContact CD2-CD1 3.94Å; L34-K78 WeakPolarHBondContact O-CE 3.39Å
35Q85Confident84.4Confident120 Ų12061.3 Ų61.356%0.56132%0.318SS*.THydrogen-bonded Turntrans-73.5-13.2175.4-74.3175.8-24.900113.6M31 E33 P74M31-Q35 WeakPolarHBondContact O-CG 3.24Å; M31-Q35 PolarHBondContact O-N 3.08Å; E33-Q35 VanDerWaalsContact C-N 3.27Å; E33-Q35 PolarHBondContact O-N 3.18Å; Q35-P74 HydrophobicContact CG-CB 4.43Å; Q35-P74 HydrophobicContact CG-CG 4.06Å
36K84.8Confident84.3Confident88 Ų8857.3 Ų57.338%0.38330%0.298SS..SBendtrans-81.3134.1176.3-64.4173.8-173.5173.10110.8E33 L34 S38 I39E33-K36 VanDerWaalsContact CD-NZ 3.31Å; E33-K36 WeakPolarHBondContact O-CB 3.22Å; E33-K36 PolarHBondContact O-N 3.13Å; E33-K36 VanDerWaalsContact O-N 3.16Å; E33-K36 IonicContact OE1-NZ 2.62Å; E33-K36 PolarHBondContact OE1-NZ 3.46Å; E33-K36 IonicContact OE2-NZ 3.57Å; E33-K36 PolarHBondContact OE2-NZ 2.8Å; L34-K36 VanDerWaalsContact C-N 3.26Å; L34-K36 PolarHBondContact O-N 3.05Å; K36-S38 PolarHBondContact O-N 3.14Å; K36-I39 WeakPolarHBondContact O-CG2 3.35Å; K36-I39 PolarHBondContact O-N 2.83Å
37D72.7Confident84.1Confident149 Ų14964.6 Ų64.680%0.79733%0.325SS*.THydrogen-bonded Turntrans-64.7-24.6177.3-74.1-34.1000114.4I39 K78D37-I39 VanDerWaalsContact C-N 3.32Å; D37-I39 PolarHBondContact O-N 3.17Å; D37-K78 IonicContact OD1-NZ 2.76Å
38S73.7Confident84.1Confident102 Ų10269.3 Ų69.371%0.71335%0.346SS*.THydrogen-bonded Turntrans-76.1-10.9-176.153.60000115.3K36 K40K36-S38 PolarHBondContact O-N 3.14Å; S38-K40 PolarHBondContact O-N 2.96Å
39I76.1Confident84Confident20 Ų2066.5 Ų66.510%0.10333%0.331CS..  trans-73.6128.1-175.3-162.2169.7000111I8 E33 L34 K36 D37 L41 K78I8-I39 HydrophobicContact CD1-CD1 4.47Å; E33-I39 HydrophobicContact CB-CD1 4.07Å; L34-I39 HydrophobicContact CD2-CD1 4.48Å; K36-I39 WeakPolarHBondContact O-CG2 3.35Å; K36-I39 PolarHBondContact O-N 2.83Å; D37-I39 VanDerWaalsContact C-N 3.32Å; D37-I39 PolarHBondContact O-N 3.17Å; I39-L41 HydrophobicContact CD1-CD2 4.33Å; I39-L41 HydrophobicContact CG1-CD2 4.46Å; I39-K78 HydrophobicContact CG2-CD 3.98Å; I39-K78 HydrophobicContact CG2-CG 4.18Å
40K71.7Confident84Confident182 Ų18263.4 Ų63.479%0.79132%0.315SS*.  trans-125.6117.2169.6-68.1-170178.6-173.90108.4S38S38-K40 PolarHBondContact O-N 2.96Å
41L78Confident84.1Confident19 Ų1971 Ų7110%0.09935%0.347CS..  trans-87.9140.7174.5-60.8173.1000108.8I8 L34 I39 E46 L75 V79I8-L41 HydrophobicContact CD1-CD2 3.31Å; I8-L41 HydrophobicContact CG1-CD2 4.43Å; L34-L41 HydrophobicContact CD2-CD1 4.38Å; I39-L41 HydrophobicContact CD1-CD2 4.33Å; I39-L41 HydrophobicContact CG1-CD2 4.46Å; L41-E46 HydrophobicContact CB-CG 3.44Å; L41-E46 VanDerWaalsContact CB-CG 3.44Å; L41-E46 HydrophobicContact CD1-CG 4.19Å; L41-E46 HydrophobicContact CG-CG 4.46Å; L41-L75 HydrophobicContact CD1-CD1 4.43Å; L41-V79 HydrophobicContact CD1-CG1 4.28Å
42D83.2Confident84.2Confident77 Ų7771.2 Ų71.241%0.41235%0.348SS..  trans-85.1165.4166.961.626.8000110.5D44 S45 E46D42-D44 PolarHBondContact O-N 3.46Å; D42-D44 VanDerWaalsContact O-N 3.13Å; D42-S45 PolarHBondContact O-N 3.31Å; D42-S45 VanDerWaalsContact O-N 3.11Å; D42-S45 WeakPolarHBondContact OD1-CA 3.41Å; D42-S45 WeakPolarHBondContact OD1-CB 3.38Å; D42-S45 PolarHBondContact OD1-N 2.96Å; D42-S45 PolarHBondContact OD1-OG 3.16Å; D42-E46 WeakPolarHBondContact O-CG 3.46Å; D42-E46 PolarHBondContact O-N 3.48Å
43D82.4Confident84.4Confident76 Ų7668.3 Ų68.341%0.40633%0.331SS..Hα-helixtrans-56.8-32.7-174-79.9-50.7000114.2R47 K80 Y82D43-R47 WeakPolarHBondContact O-CB 3.4Å; D43-R47 PolarHBondContact O-N 2.95Å; D43-K80 VanDerWaalsContact OD1-CD 3.31Å; D43-K80 WeakPolarHBondContact OD1-CD 3.3Å; D43-K80 VanDerWaalsContact OD1-CE 3.32Å; D43-K80 WeakPolarHBondContact OD1-CE 3.49Å; D43-K80 IonicContact OD1-NZ 2.97Å; D43-K80 PolarHBondContact OD1-NZ 3.39Å; D43-K80 IonicContact OD2-NZ 2.63Å; D43-K80 PolarHBondContact OD2-NZ 2.91Å; D43-Y82 PolarHBondContact OD1-OH 3.5Å
44D84.8Confident84.7Confident86 Ų8666.9 Ų66.946%0.4632%0.324SS..Hα-helixtrans-77.2-41.8178.6-17249.9000111.3D42 R47 K48D42-D44 PolarHBondContact O-N 3.46Å; D42-D44 VanDerWaalsContact O-N 3.13Å; D44-R47 PolarHBondContact O-N 3.12Å; D44-K48 WeakPolarHBondContact O-CB 3.32Å; D44-K48 VanDerWaalsContact O-CG 3.32Å; D44-K48 WeakPolarHBondContact O-CG 3.5Å; D44-K48 PolarHBondContact O-N 2.83Å; D44-K48 IonicContact OD1-NZ 3.88Å; D44-K48 VanDerWaalsContact OD2-CE 3.23Å; D44-K48 WeakPolarHBondContact OD2-CE 3.41Å; D44-K48 IonicContact OD2-NZ 2.85Å; D44-K48 PolarHBondContact OD2-NZ 2.93Å
45S84.3Confident85Confident9 Ų973 Ų736%0.06335%0.351CS..Hα-helixtrans-64.9-43.7174.9-57.60000111.4D42 R47 K48 V49D42-S45 PolarHBondContact O-N 3.31Å; D42-S45 VanDerWaalsContact O-N 3.11Å; D42-S45 WeakPolarHBondContact OD1-CA 3.41Å; D42-S45 WeakPolarHBondContact OD1-CB 3.38Å; D42-S45 PolarHBondContact OD1-N 2.96Å; D42-S45 PolarHBondContact OD1-OG 3.16Å; S45-R47 VanDerWaalsContact C-N 3.34Å; S45-R47 PolarHBondContact O-N 3.43Å; S45-K48 PolarHBondContact O-N 3.2Å; S45-V49 WeakPolarHBondContact O-CB 3.45Å; S45-V49 VanDerWaalsContact O-CG2 3.23Å; S45-V49 WeakPolarHBondContact O-CG2 3.28Å; S45-V49 PolarHBondContact O-N 3.22Å
46E87.4Confident85.3Confident8 Ų867.6 Ų67.64%0.03733%0.326CS..Hα-helixtrans-53.4-52.2174-73.9-175.2-16100110.4L41 D42 K48 V49 V50 V79 K80 Q83L41-E46 HydrophobicContact CB-CG 3.44Å; L41-E46 VanDerWaalsContact CB-CG 3.44Å; L41-E46 HydrophobicContact CD1-CG 4.19Å; L41-E46 HydrophobicContact CG-CG 4.46Å; D42-E46 WeakPolarHBondContact O-CG 3.46Å; D42-E46 PolarHBondContact O-N 3.48Å; E46-K48 VanDerWaalsContact C-N 3.34Å; E46-K48 PolarHBondContact O-N 3.21Å; E46-V49 PolarHBondContact O-N 2.75Å; E46-V50 WeakPolarHBondContact O-CB 3.44Å; E46-V50 WeakPolarHBondContact O-CG2 3.4Å; E46-V50 PolarHBondContact O-N 3.46Å; E46-V79 HydrophobicContact CB-CG1 4.42Å; E46-V79 HydrophobicContact CG-CB 4.47Å; E46-V79 HydrophobicContact CG-CG1 4.17Å; E46-K80 PolarHBondContact OE2-N 3.48Å; E46-K80 VanDerWaalsContact OE2-N 3.12Å; E46-Q83 HydrophobicContact CB-CG 4.39Å
47R88.8Confident85.6Confident153 Ų15363.4 Ų63.458%0.57731%0.308SS*.Hα-helixtrans-61.2-41.3-179.2-170.8-177.3-61.9-165.6-1112.5D43 D44 S45 K51D43-R47 WeakPolarHBondContact O-CB 3.4Å; D43-R47 PolarHBondContact O-N 2.95Å; D44-R47 PolarHBondContact O-N 3.12Å; S45-R47 VanDerWaalsContact C-N 3.34Å; S45-R47 PolarHBondContact O-N 3.43Å; R47-K51 VanDerWaalsContact O-CB 3.25Å; R47-K51 WeakPolarHBondContact O-CB 3.2Å; R47-K51 PolarHBondContact O-N 3.15Å
48K89.8Confident86.4Confident100 Ų10061.7 Ų61.744%0.43530%0.295SS..Hα-helixtrans-69.4-42.9179.3-74.2170.5176.21680111.9L12 D44 S45 E46 K51 M52L12-K48 HydrophobicContact CD1-CB 3.77Å; D44-K48 WeakPolarHBondContact O-CB 3.32Å; D44-K48 VanDerWaalsContact O-CG 3.32Å; D44-K48 WeakPolarHBondContact O-CG 3.5Å; D44-K48 PolarHBondContact O-N 2.83Å; D44-K48 IonicContact OD1-NZ 3.88Å; D44-K48 VanDerWaalsContact OD2-CE 3.23Å; D44-K48 WeakPolarHBondContact OD2-CE 3.41Å; D44-K48 IonicContact OD2-NZ 2.85Å; D44-K48 PolarHBondContact OD2-NZ 2.93Å; S45-K48 PolarHBondContact O-N 3.2Å; E46-K48 VanDerWaalsContact C-N 3.34Å; E46-K48 PolarHBondContact O-N 3.21Å; K48-K51 PolarHBondContact O-N 2.98Å; K48-M52 WeakPolarHBondContact O-CB 3.47Å; K48-M52 PolarHBondContact O-N 2.97Å
49V90.7Very high87.2Confident1 Ų157.7 Ų57.71%0.00627%0.266CS..Hα-helixtrans-63.1-50.1177.1170.70000110.7I8 L12 L30 S45 E46 K51 M52 I53 L75I8-V49 HydrophobicContact CG2-CG2 3.7Å; L12-V49 HydrophobicContact CD1-CG2 4.38Å; L12-V49 HydrophobicContact CD2-CG2 4.16Å; L30-V49 HydrophobicContact CD2-CG1 4.02Å; S45-V49 WeakPolarHBondContact O-CB 3.45Å; S45-V49 VanDerWaalsContact O-CG2 3.23Å; S45-V49 WeakPolarHBondContact O-CG2 3.28Å; S45-V49 PolarHBondContact O-N 3.22Å; E46-V49 PolarHBondContact O-N 2.75Å; V49-K51 PolarHBondContact O-N 2.89Å; V49-M52 PolarHBondContact O-N 3.45Å; V49-M52 VanDerWaalsContact O-N 3.17Å; V49-I53 HydrophobicContact CG1-CG1 4.35Å; V49-I53 WeakPolarHBondContact O-CG1 3.08Å; V49-I53 PolarHBondContact O-N 3.06Å; V49-L75 HydrophobicContact CG1-CD1 3.73Å; V49-L75 HydrophobicContact CG1-CD2 4.38Å
50V91.5Very high87.7Confident3 Ų366.6 Ų66.62%0.01830%0.304CS..Hα-helixtrans-56.3-50177.3170.30000110.7E46 M52 I53 L54 L75 V79 Q83 I87E46-V50 WeakPolarHBondContact O-CB 3.44Å; E46-V50 WeakPolarHBondContact O-CG2 3.4Å; E46-V50 PolarHBondContact O-N 3.46Å; V50-M52 VanDerWaalsContact C-N 3.31Å; V50-M52 PolarHBondContact O-N 2.62Å; V50-I53 PolarHBondContact O-N 2.92Å; V50-L54 HydrophobicContact CG1-CD1 3.83Å; V50-L54 HydrophobicContact CG1-CG 4.5Å; V50-L54 WeakPolarHBondContact O-CB 3.41Å; V50-L54 VanDerWaalsContact O-CG 3.26Å; V50-L54 WeakPolarHBondContact O-CG 3.45Å; V50-L54 PolarHBondContact O-N 2.64Å; V50-L75 HydrophobicContact CG2-CD2 4.25Å; V50-V79 HydrophobicContact CG2-CG1 4.24Å; V50-Q83 HydrophobicContact CG2-CB 4.04Å; V50-Q83 HydrophobicContact CG2-CG 4.35Å; V50-I87 HydrophobicContact CG1-CD1 4.27Å; V50-I87 HydrophobicContact CG1-CG1 3.69Å; V50-I87 HydrophobicContact CG2-CD1 4.23Å
51K92.1Very high88.5Confident161 Ų16159.5 Ų59.570%0.727%0.274SS*.Hα-helixtrans-61.7-37.9179.4-173.7177.5-179.3179.60112.5R47 K48 V49 K55R47-K51 VanDerWaalsContact O-CB 3.25Å; R47-K51 WeakPolarHBondContact O-CB 3.2Å; R47-K51 PolarHBondContact O-N 3.15Å; K48-K51 PolarHBondContact O-N 2.98Å; V49-K51 PolarHBondContact O-N 2.89Å; K51-K55 WeakPolarHBondContact O-CB 3.49Å; K51-K55 PolarHBondContact O-N 3.44Å; K51-K55 VanDerWaalsContact O-N 3.11Å
52M91.7Very high89Confident31 Ų3160.2 Ų60.215%0.15329%0.287CS..Hα-helixtrans-72.7-46.7-179.7-169.259.570.300112L12 M15 T16 K48 V49 V50 L54 K55 L56L12-M52 HydrophobicContact CD2-CB 3.65Å; L12-M52 HydrophobicContact CD2-CG 3.97Å; M15-M52 HydrophobicContact CB-CG 3.85Å; M15-M52 HydrophobicContact CB-SD 4.17Å; M15-M52 HydrophobicContact CG-CG 4.42Å; M15-M52 HydrophobicContact SD-CG 3.68Å; T16-M52 HydrophobicContact CG2-CE 3.33Å; T16-M52 HydrophobicContact CG2-SD 3.88Å; K48-M52 WeakPolarHBondContact O-CB 3.47Å; K48-M52 PolarHBondContact O-N 2.97Å; V49-M52 PolarHBondContact O-N 3.45Å; V49-M52 VanDerWaalsContact O-N 3.17Å; V50-M52 VanDerWaalsContact C-N 3.31Å; V50-M52 PolarHBondContact O-N 2.62Å; M52-L54 VanDerWaalsContact C-N 3.33Å; M52-L54 PolarHBondContact O-N 2.94Å; M52-K55 WeakPolarHBondContact O-CB 3.4Å; M52-K55 PolarHBondContact O-N 3.18Å; M52-K55 VanDerWaalsContact O-N 3.08Å; M52-K55 HydrophobicContact SD-CD 4.42Å; M52-L56 WeakPolarHBondContact O-CG 3.41Å; M52-L56 PolarHBondContact O-N 2.89Å
53I92.2Very high89.3Confident0 Ų062.1 Ų62.10%029%0.293CS..Hα-helixtrans-59.3-45.4176.8-69.8-62000110.6T27 L30 V49 V50 K55 L56 L57 C71 L72 L75T27-I53 HydrophobicContact CG2-CD1 4.36Å; L30-I53 HydrophobicContact CD2-CD1 3.93Å; L30-I53 HydrophobicContact CD2-CG1 4.27Å; V49-I53 HydrophobicContact CG1-CG1 4.35Å; V49-I53 WeakPolarHBondContact O-CG1 3.08Å; V49-I53 PolarHBondContact O-N 3.06Å; V50-I53 PolarHBondContact O-N 2.92Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 3.06Å; I53-L56 HydrophobicContact CD1-CD1 4.46Å; I53-L56 PolarHBondContact O-N 3.48Å; I53-L56 VanDerWaalsContact O-N 3.13Å; I53-L57 PolarHBondContact O-N 2.85Å; I53-C71 HydrophobicContact CD1-CB 3.89Å; I53-L72 HydrophobicContact CG2-CD2 3.62Å; I53-L72 HydrophobicContact CG2-CG 4.05Å; I53-L75 HydrophobicContact CG1-CD2 4.45Å
54L91.8Very high89.7Confident18 Ų1858.6 Ų58.69%0.09427%0.274CS..Hα-helixtrans-61.4-35.8175.8-70172.9000112.3V50 M52 L57 I87 T90V50-L54 HydrophobicContact CG1-CD1 3.83Å; V50-L54 HydrophobicContact CG1-CG 4.5Å; V50-L54 WeakPolarHBondContact O-CB 3.41Å; V50-L54 VanDerWaalsContact O-CG 3.26Å; V50-L54 WeakPolarHBondContact O-CG 3.45Å; V50-L54 PolarHBondContact O-N 2.64Å; M52-L54 VanDerWaalsContact C-N 3.33Å; M52-L54 PolarHBondContact O-N 2.94Å; L54-L57 HydrophobicContact CD2-CD1 4.03Å; L54-L57 WeakPolarHBondContact O-CB 3.33Å; L54-L57 PolarHBondContact O-N 3.37Å; L54-I87 HydrophobicContact CD2-CG2 4.45Å; L54-T90 HydrophobicContact CD1-CG2 4.18Å; L54-T90 HydrophobicContact CD2-CG2 4.15Å
55K91.5Very high90Very high130 Ų13055.5 Ų55.557%0.56526%0.257SS*.Hα-helixtrans-68.8-35.7174.9-173.5-175.9176.4-169.90112.5K51 M52 I53 L57 E58K51-K55 WeakPolarHBondContact O-CB 3.49Å; K51-K55 PolarHBondContact O-N 3.44Å; K51-K55 VanDerWaalsContact O-N 3.11Å; M52-K55 WeakPolarHBondContact O-CB 3.4Å; M52-K55 PolarHBondContact O-N 3.18Å; M52-K55 VanDerWaalsContact O-N 3.08Å; M52-K55 HydrophobicContact SD-CD 4.42Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 3.06Å; K55-L57 PolarHBondContact O-N 3.43Å; K55-E58 WeakPolarHBondContact O-CB 3.19Å; K55-E58 PolarHBondContact O-N 3.26Å
56L92.2Very high90.3Very high6 Ų659 Ų593%0.03128%0.275CS..Hα-helixtrans-69.4-16.6177.4-70.5176000113.1M15 T27 M52 I53 E58 D59 V64 A68M15-L56 HydrophobicContact CB-CD1 4.29Å; M15-L56 HydrophobicContact CG-CD1 4.11Å; M15-L56 HydrophobicContact SD-CD1 4.02Å; T27-L56 HydrophobicContact CG2-CD1 4.38Å; T27-L56 WeakPolarHBondContact OG1-CD1 3.15Å; M52-L56 WeakPolarHBondContact O-CG 3.41Å; M52-L56 PolarHBondContact O-N 2.89Å; I53-L56 HydrophobicContact CD1-CD1 4.46Å; I53-L56 PolarHBondContact O-N 3.48Å; I53-L56 VanDerWaalsContact O-N 3.13Å; L56-E58 PolarHBondContact O-N 3.26Å; L56-D59 VanDerWaalsContact O-CB 3.22Å; L56-D59 WeakPolarHBondContact O-CB 3.44Å; L56-D59 PolarHBondContact O-N 3.22Å; L56-D59 VanDerWaalsContact O-N 3.09Å; L56-V64 HydrophobicContact CD2-CG1 4.06Å; L56-A68 HydrophobicContact CB-CB 3.81Å
57L90.5Very high90.5Very high0 Ų059.1 Ų59.10%028%0.276CS..THydrogen-bonded Turntrans-64.4-24167.8-57.8177.1000111.9I53 L54 K55 D59 Q65 A68 V69 L91 I105I53-L57 PolarHBondContact O-N 2.85Å; L54-L57 HydrophobicContact CD2-CD1 4.03Å; L54-L57 WeakPolarHBondContact O-CB 3.33Å; L54-L57 PolarHBondContact O-N 3.37Å; K55-L57 PolarHBondContact O-N 3.43Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-Q65 PolarHBondContact O-NE2 3.11Å; L57-A68 HydrophobicContact CD2-CB 4.06Å; L57-V69 HydrophobicContact CD2-CG2 3.65Å; L57-L91 HydrophobicContact CD1-CD2 3.56Å; L57-I105 HydrophobicContact CB-CG2 4.33Å; L57-I105 HydrophobicContact CD2-CG1 4.22Å
58E90Very high90.7Very high113 Ų11351.9 Ų51.953%0.52825%0.248SC..THydrogen-bonded Turntrans-92.411.6174.1-60.8179.7-165.800113K55 L56 L102K55-E58 WeakPolarHBondContact O-CB 3.19Å; K55-E58 PolarHBondContact O-N 3.26Å; L56-E58 PolarHBondContact O-N 3.26Å; E58-L102 HydrophobicContact CG-CD1 3.67Å; E58-L102 HydrophobicContact CG-CD2 4.18Å
59D89.8Confident90.8Very high19 Ų1947.4 Ų47.410%0.10223%0.229CC..  trans-63.3150.5178.5-156.9-70000111.6R23 L56 L57 N61 V64 Q65R23-D59 IonicContact CZ-OD1 3.15Å; R23-D59 IonicContact CZ-OD2 3.74Å; R23-D59 IonicContact NE-OD1 3.12Å; R23-D59 IonicContact NE-OD2 2.68Å; R23-D59 PolarHBondContact NE-OD2 3.45Å; R23-D59 IonicContact NH2-OD1 2.73Å; R23-D59 PolarHBondContact NH2-OD1 3.42Å; R23-D59 IonicContact NH2-OD2 3.67Å; R23-D59 PolarHBondContact NH2-OD2 3.15Å; L56-D59 VanDerWaalsContact O-CB 3.22Å; L56-D59 WeakPolarHBondContact O-CB 3.44Å; L56-D59 PolarHBondContact O-N 3.22Å; L56-D59 VanDerWaalsContact O-N 3.09Å; L57-D59 VanDerWaalsContact C-N 3.34Å; D59-N61 PolarHBondContact O-N 3.1Å; D59-N61 PolarHBondContact OD1-N 2.9Å; D59-V64 HydrophobicContact CB-CB 4.33Å; D59-V64 HydrophobicContact CB-CG1 4.14Å; D59-Q65 HydrophobicContact CB-CG 4.12Å; D59-Q65 VanDerWaalsContact O-CD 3.27Å; D59-Q65 PolarHBondContact O-NE2 3.42Å; D59-Q65 VanDerWaalsContact O-NE2 3.08Å
60K87.2Confident90.8Very high206 Ų20653.7 Ų53.790%0.89626%0.257SS*.SBendtrans-74.4-17.8177.2-63-177.8179.6-179.20112.6
61N89.6Confident90.8Very high33 Ų3353.5 Ų53.518%0.17626%0.256CS..  trans-102.3122.2-178.4-177.2-69.2000111.4D59 E63 V64 Q65D59-N61 PolarHBondContact O-N 3.1Å; D59-N61 PolarHBondContact OD1-N 2.9Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 3.36Å; N61-E63 WeakPolarHBondContact OD1-CA 3.45Å; N61-E63 VanDerWaalsContact OD1-CB 3.28Å; N61-E63 WeakPolarHBondContact OD1-CB 3.14Å; N61-E63 PolarHBondContact OD1-N 2.97Å; N61-V64 HydrophobicContact CB-CB 4.38Å; N61-V64 HydrophobicContact CB-CG2 4.05Å; N61-V64 PolarHBondContact O-N 2.98Å; N61-V64 PolarHBondContact OD1-N 3.3Å; N61-Q65 PolarHBondContact O-N 2.92Å; N61-Q65 VanDerWaalsContact O-N 3.1Å
62G88Confident90.8Very high35 Ų3545.9 Ų45.936%0.36122%0.223SC..Hα-helixtrans-64.4-27.9-178.500000115.3N66G62-N66 WeakPolarHBondContact O-CB 3.41Å; G62-N66 VanDerWaalsContact O-CG 3.31Å; G62-N66 PolarHBondContact O-N 3.16Å; G62-N66 PolarHBondContact O-ND2 3.04Å
63E88.9Confident90.6Very high117 Ų11744.4 Ų44.455%0.54722%0.216SC..Hα-helixtrans-70.3-40.7176.2-58.4176.9153.300111F24 N61 N66 L67F24-E63 HydrophobicContact CD2-CB 4.08Å; F24-E63 HydrophobicContact CE2-CB 4Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 3.36Å; N61-E63 WeakPolarHBondContact OD1-CA 3.45Å; N61-E63 VanDerWaalsContact OD1-CB 3.28Å; N61-E63 WeakPolarHBondContact OD1-CB 3.14Å; N61-E63 PolarHBondContact OD1-N 2.97Å; E63-N66 PolarHBondContact O-N 3.28Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 PolarHBondContact O-N 3.39Å
64V91.3Very high90.3Very high1 Ų145.6 Ų45.61%0.00622%0.223CC..Hα-helixtrans-65.2-42.4175.1-178.90000110.5R23 F24 L56 D59 N61 L67 A68R23-V64 HydrophobicContact CB-CG1 4.3Å; R23-V64 HydrophobicContact CB-CG2 4.41Å; F24-V64 HydrophobicContact CB-CG2 4.15Å; F24-V64 HydrophobicContact CD2-CG2 4.49Å; L56-V64 HydrophobicContact CD2-CG1 4.06Å; D59-V64 HydrophobicContact CB-CB 4.33Å; D59-V64 HydrophobicContact CB-CG1 4.14Å; N61-V64 HydrophobicContact CB-CB 4.38Å; N61-V64 HydrophobicContact CB-CG2 4.05Å; N61-V64 PolarHBondContact O-N 2.98Å; N61-V64 PolarHBondContact OD1-N 3.3Å; V64-L67 PolarHBondContact O-N 3.01Å; V64-A68 WeakPolarHBondContact O-CB 3.43Å; V64-A68 PolarHBondContact O-N 3.29Å
65Q91.3Very high90.3Very high21 Ų2144.7 Ų44.710%0.09822%0.219CC..Hα-helixtrans-59-50.4174.4-74.7-179.4-43.900112.1L57 D59 N61 L67 A68 V69 I105L57-Q65 PolarHBondContact O-NE2 3.11Å; D59-Q65 HydrophobicContact CB-CG 4.12Å; D59-Q65 VanDerWaalsContact O-CD 3.27Å; D59-Q65 PolarHBondContact O-NE2 3.42Å; D59-Q65 VanDerWaalsContact O-NE2 3.08Å; N61-Q65 PolarHBondContact O-N 2.92Å; N61-Q65 VanDerWaalsContact O-N 3.1Å; Q65-L67 VanDerWaalsContact C-N 3.28Å; Q65-L67 PolarHBondContact O-N 3.37Å; Q65-A68 WeakPolarHBondContact O-CB 3.4Å; Q65-A68 PolarHBondContact O-N 2.8Å; Q65-V69 PolarHBondContact O-N 3.11Å; Q65-I105 HydrophobicContact CB-CD1 3.93Å; Q65-I105 HydrophobicContact CB-CG1 4.01Å
66N90.6Very high90.1Very high84 Ų8439 Ų3945%0.44919%0.194SC..Hα-helixtrans-60.9-37.6178.6-79.6-45.4000112.3G62 E63 V69 K70G62-N66 WeakPolarHBondContact O-CB 3.41Å; G62-N66 VanDerWaalsContact O-CG 3.31Å; G62-N66 PolarHBondContact O-N 3.16Å; G62-N66 PolarHBondContact O-ND2 3.04Å; E63-N66 PolarHBondContact O-N 3.28Å; N66-V69 PolarHBondContact O-N 3.07Å; N66-K70 WeakPolarHBondContact O-CG 3.45Å; N66-K70 PolarHBondContact O-N 3.2Å; N66-K70 VanDerWaalsContact O-N 3.09Å
67L91.4Very high89.6Confident10 Ų1042.5 Ų42.55%0.05222%0.22CC..Hα-helixtrans-71.7-37.7177.1-170.163000112.1F24 T27 N28 M31 E63 V64 Q65 V69 K70 C71F24-L67 HydrophobicContact CD1-CD2 4.39Å; F24-L67 HydrophobicContact CD2-CD2 3.83Å; F24-L67 HydrophobicContact CE1-CD2 4.36Å; F24-L67 HydrophobicContact CE2-CB 4.43Å; F24-L67 HydrophobicContact CE2-CD2 3.8Å; F24-L67 HydrophobicContact CG-CD2 4.13Å; F24-L67 HydrophobicContact CZ-CD2 4.08Å; F24-L67 VanDerWaalsContact O-CD2 3.28Å; F24-L67 WeakPolarHBondContact O-CD2 3.42Å; T27-L67 HydrophobicContact CG2-CB 4.28Å; T27-L67 HydrophobicContact CG2-CD2 4Å; T27-L67 HydrophobicContact CG2-CG 3.79Å; N28-L67 HydrophobicContact CB-CD2 3.88Å; M31-L67 HydrophobicContact CE-CD1 3.89Å; M31-L67 HydrophobicContact SD-CD1 3.94Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 PolarHBondContact O-N 3.39Å; V64-L67 PolarHBondContact O-N 3.01Å; Q65-L67 VanDerWaalsContact C-N 3.28Å; Q65-L67 PolarHBondContact O-N 3.37Å; L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 PolarHBondContact O-N 3.46Å; L67-K70 PolarHBondContact O-N 3.25Å; L67-C71 PolarHBondContact O-N 2.99Å; L67-C71 PolarHBondContact O-SG 3.38Å
68A93.1Very high89.3Confident0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-61.3-39.2172.700000111.6L56 L57 V64 Q65 C71 L72L56-A68 HydrophobicContact CB-CB 3.81Å; L57-A68 HydrophobicContact CD2-CB 4.06Å; V64-A68 WeakPolarHBondContact O-CB 3.43Å; V64-A68 PolarHBondContact O-N 3.29Å; Q65-A68 WeakPolarHBondContact O-CB 3.4Å; Q65-A68 PolarHBondContact O-N 2.8Å; A68-C71 WeakPolarHBondContact O-CB 3.36Å; A68-C71 PolarHBondContact O-N 3.45Å; A68-L72 PolarHBondContact O-N 3.33Å
69V92Very high89.2Confident6 Ų640.3 Ų40.34%0.03621%0.21CC..Hα-helixtrans-62.1-46.3172.31680000111.8L57 Q65 N66 L67 C71 L72 I105 I108L57-V69 HydrophobicContact CD2-CG2 3.65Å; Q65-V69 PolarHBondContact O-N 3.11Å; N66-V69 PolarHBondContact O-N 3.07Å; L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 PolarHBondContact O-N 3.46Å; V69-C71 PolarHBondContact O-N 2.96Å; V69-L72 WeakPolarHBondContact O-CB 3.48Å; V69-L72 PolarHBondContact O-N 3.38Å; V69-I105 HydrophobicContact CG2-CD1 3.52Å; V69-I105 HydrophobicContact CG2-CG1 3.53Å; V69-I108 HydrophobicContact CG1-CB 4.4Å; V69-I108 HydrophobicContact CG1-CG2 3.75Å
70K90Very high89Confident133 Ų13343.9 Ų43.958%0.57823%0.225SC*.Hα-helixtrans-60.4-31.3175.7-71.4179.4-178.7-177.80112.7M31 N66 L67 L72 P74M31-K70 HydrophobicContact SD-CB 3.86Å; N66-K70 WeakPolarHBondContact O-CG 3.45Å; N66-K70 PolarHBondContact O-N 3.2Å; N66-K70 VanDerWaalsContact O-N 3.09Å; L67-K70 PolarHBondContact O-N 3.25Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-P74 WeakPolarHBondContact O-CD 3.48Å
71C91.6Very high88.8Confident0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-69.4-29.3175.1-67.60000113.4I53 L67 A68 V69 G73 L75I53-C71 HydrophobicContact CD1-CB 3.89Å; L67-C71 PolarHBondContact O-N 2.99Å; L67-C71 PolarHBondContact O-SG 3.38Å; A68-C71 WeakPolarHBondContact O-CB 3.36Å; A68-C71 PolarHBondContact O-N 3.45Å; V69-C71 PolarHBondContact O-N 2.96Å; C71-G73 PolarHBondContact O-N 3.39Å; C71-L75 WeakPolarHBondContact O-CB 3.47Å; C71-L75 PolarHBondContact O-N 2.86Å; C71-L75 VanDerWaalsContact O-N 3.12Å
72L91.7Very high88.6Confident0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-58.8-36.9180-71.6172.2000111.6I53 A68 V69 K70 L75 V76 I87 L91 V113I53-L72 HydrophobicContact CG2-CD2 3.62Å; I53-L72 HydrophobicContact CG2-CG 4.05Å; A68-L72 PolarHBondContact O-N 3.33Å; V69-L72 WeakPolarHBondContact O-CB 3.48Å; V69-L72 PolarHBondContact O-N 3.38Å; K70-L72 VanDerWaalsContact C-N 3.35Å; L72-L75 PolarHBondContact O-N 2.87Å; L72-V76 VanDerWaalsContact O-CG2 3.27Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 3.27Å; L72-V76 VanDerWaalsContact O-N 3.07Å; L72-I87 HydrophobicContact CD2-CG2 3.93Å; L72-L91 HydrophobicContact CD1-CD1 4.14Å; L72-L91 HydrophobicContact CD1-CD2 4.34Å; L72-V113 HydrophobicContact CB-CG2 4.04Å; L72-V113 HydrophobicContact CD1-CG2 4.39Å
73G87.4Confident88.6Confident1 Ų139.8 Ų39.81%0.0120%0.195CC..Hα-helixtrans-59.4-64.6-177.500000112.9C71 L75 V76C71-G73 PolarHBondContact O-N 3.39Å; G73-L75 PolarHBondContact O-N 3.35Å; G73-V76 PolarHBondContact O-N 2.94Å
74P87.5Confident88.5Confident24 Ų2434.2 Ų34.216%0.15617%0.169CC..Hα-helixtrans-55.7-36174.3-26.135000113L34 Q35 K70 V76 S77 K78L34-P74 HydrophobicContact CB-CB 3.81Å; Q35-P74 HydrophobicContact CG-CB 4.43Å; Q35-P74 HydrophobicContact CG-CG 4.06Å; K70-P74 WeakPolarHBondContact O-CD 3.48Å; P74-V76 PolarHBondContact O-N 3.37Å; P74-S77 PolarHBondContact O-N 2.88Å; P74-S77 PolarHBondContact O-OG 2.95Å; P74-K78 WeakPolarHBondContact O-CG 3.38Å
75L89.8Confident88.3Confident0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-61.6-41.3-178.4-175.265.7000112.8L34 L41 V49 V50 I53 C71 L72 G73 S77 K78 V79 I87L34-L75 HydrophobicContact CD1-CB 4.15Å; L34-L75 HydrophobicContact CD1-CD1 4.2Å; L34-L75 HydrophobicContact CD2-CD1 3.94Å; L41-L75 HydrophobicContact CD1-CD1 4.43Å; V49-L75 HydrophobicContact CG1-CD1 3.73Å; V49-L75 HydrophobicContact CG1-CD2 4.38Å; V50-L75 HydrophobicContact CG2-CD2 4.25Å; I53-L75 HydrophobicContact CG1-CD2 4.45Å; C71-L75 WeakPolarHBondContact O-CB 3.47Å; C71-L75 PolarHBondContact O-N 2.86Å; C71-L75 VanDerWaalsContact O-N 3.12Å; L72-L75 PolarHBondContact O-N 2.87Å; G73-L75 PolarHBondContact O-N 3.35Å; L75-S77 PolarHBondContact O-N 3.23Å; L75-K78 PolarHBondContact O-N 3.43Å; L75-V79 HydrophobicContact CD1-CG1 3.55Å; L75-V79 HydrophobicContact CG-CG1 3.99Å; L75-V79 WeakPolarHBondContact O-CG2 3.42Å; L75-V79 PolarHBondContact O-N 2.86Å; L75-I87 HydrophobicContact CD2-CD1 4.05Å; L75-I87 HydrophobicContact CG-CD1 4.5Å
76V87.5Confident88.1Confident9 Ų938.6 Ų38.66%0.05519%0.194CC..Hα-helixtrans-58.2-33.4179.8169.70000111.7L72 G73 P74 K78 V84 V113 L117L72-V76 VanDerWaalsContact O-CG2 3.27Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 3.27Å; L72-V76 VanDerWaalsContact O-N 3.07Å; G73-V76 PolarHBondContact O-N 2.94Å; P74-V76 PolarHBondContact O-N 3.37Å; V76-K78 VanDerWaalsContact C-N 3.32Å; V76-K78 PolarHBondContact O-N 3.46Å; V76-V84 HydrophobicContact CG1-CG1 4.05Å; V76-V84 HydrophobicContact CG1-CG2 4.26Å; V76-V113 HydrophobicContact CG2-CB 4.25Å; V76-V113 HydrophobicContact CG2-CG1 3.81Å; V76-V113 HydrophobicContact CG2-CG2 3.87Å; V76-L117 HydrophobicContact CG1-CD2 4.48Å
77S82.7Confident88.1Confident81 Ų8134.6 Ų34.657%0.56617%0.172SC*.THydrogen-bonded Turntrans-77.3-12.9178.177.50000114.5P74 L75P74-S77 PolarHBondContact O-N 2.88Å; P74-S77 PolarHBondContact O-OG 2.95Å; L75-S77 PolarHBondContact O-N 3.23Å
78K84.6Confident88Confident50 Ų5034.2 Ų34.222%0.21717%0.17CC..THydrogen-bonded Turntrans-115.2-9.8-171.4-59-60.1-178.5-173.10114.7L34 D37 I39 P74 L75 V76L34-K78 WeakPolarHBondContact O-CE 3.39Å; D37-K78 IonicContact OD1-NZ 2.76Å; I39-K78 HydrophobicContact CG2-CD 3.98Å; I39-K78 HydrophobicContact CG2-CG 4.18Å; P74-K78 WeakPolarHBondContact O-CG 3.38Å; L75-K78 PolarHBondContact O-N 3.43Å; V76-K78 VanDerWaalsContact C-N 3.32Å; V76-K78 PolarHBondContact O-N 3.46Å
79V86.5Confident87.7Confident16 Ų1636 Ų3610%0.09718%0.179CC..SBendtrans-107.3160.9179.9-58.60000111.9L41 E46 V50 L75 Q83 V84L41-V79 HydrophobicContact CD1-CG1 4.28Å; E46-V79 HydrophobicContact CB-CG1 4.42Å; E46-V79 HydrophobicContact CG-CB 4.47Å; E46-V79 HydrophobicContact CG-CG1 4.17Å; V50-V79 HydrophobicContact CG2-CG1 4.24Å; L75-V79 HydrophobicContact CD1-CG1 3.55Å; L75-V79 HydrophobicContact CG-CG1 3.99Å; L75-V79 WeakPolarHBondContact O-CG2 3.42Å; L75-V79 PolarHBondContact O-N 2.86Å; V79-Q83 HydrophobicContact CB-CB 3.93Å; V79-Q83 HydrophobicContact CB-CG 4.43Å; V79-Q83 HydrophobicContact CG2-CB 3.79Å; V79-V84 HydrophobicContact CG2-CG2 3.64Å
80K85.8Confident87.6Confident95 Ų9537.8 Ų37.841%0.41319%0.19SC..  trans-70.5156.8176.7-68.3171.7-178.9-177.90112.4D43 E46 Y82 Q83 V84D43-K80 VanDerWaalsContact OD1-CD 3.31Å; D43-K80 WeakPolarHBondContact OD1-CD 3.3Å; D43-K80 VanDerWaalsContact OD1-CE 3.32Å; D43-K80 WeakPolarHBondContact OD1-CE 3.49Å; D43-K80 IonicContact OD1-NZ 2.97Å; D43-K80 PolarHBondContact OD1-NZ 3.39Å; D43-K80 IonicContact OD2-NZ 2.63Å; D43-K80 PolarHBondContact OD2-NZ 2.91Å; E46-K80 PolarHBondContact OE2-N 3.48Å; E46-K80 VanDerWaalsContact OE2-N 3.12Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD1 3.65Å; K80-Y82 HydrophobicContact CB-CE1 3.53Å; K80-Y82 HydrophobicContact CD-CD1 4.48Å; K80-Y82 HydrophobicContact CD-CE1 3.77Å; K80-Y82 HydrophobicContact CG-CE1 4.28Å; K80-Y82 PolarHBondContact O-N 2.91Å; K80-Y82 VanDerWaalsContact O-N 3.11Å; K80-Q83 WeakPolarHBondContact O-CB 3.38Å; K80-Q83 PolarHBondContact O-N 2.97Å; K80-V84 PolarHBondContact O-N 3.35Å
81E83.2Confident87.6Confident93 Ų9331.4 Ų31.444%0.43516%0.163SC..Hα-helixtrans-50.8-41.4-174.9-62.2-171.516300114.1Q83 V84 E85 L126E81-Q83 VanDerWaalsContact C-N 3.26Å; E81-Q83 PolarHBondContact O-N 2.86Å; E81-V84 WeakPolarHBondContact O-CB 3.32Å; E81-V84 PolarHBondContact O-N 3.05Å; E81-V84 VanDerWaalsContact O-N 3.16Å; E81-E85 PolarHBondContact O-N 3.22Å; E81-L126 HydrophobicContact CB-CD1 3.88Å; E81-L126 HydrophobicContact CG-CB 4.09Å; E81-L126 HydrophobicContact CG-CD1 4.01Å; E81-L126 HydrophobicContact CG-CD2 4.46Å; E81-L126 HydrophobicContact CG-CG 4.41Å
82Y85.9Confident87.4Confident89 Ų8931.5 Ų31.535%0.34916%0.164SC..Hα-helixtrans-64.1-29.4179.978-90.4000113.4D43 K80 T86D43-Y82 PolarHBondContact OD1-OH 3.5Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD1 3.65Å; K80-Y82 HydrophobicContact CB-CE1 3.53Å; K80-Y82 HydrophobicContact CD-CD1 4.48Å; K80-Y82 HydrophobicContact CD-CE1 3.77Å; K80-Y82 HydrophobicContact CG-CE1 4.28Å; K80-Y82 PolarHBondContact O-N 2.91Å; K80-Y82 VanDerWaalsContact O-N 3.11Å; Y82-T86 PolarHBondContact O-N 3.34Å; Y82-T86 VanDerWaalsContact O-N 3.16Å; Y82-T86 PolarHBondContact O-OG1 2.77Å
83Q88.7Confident87.1Confident6 Ų635 Ų353%0.02819%0.185CC..Hα-helixtrans-75.6-39.3175.1-66.6-680.700110.9E46 V50 V79 K80 E81 E85 T86 I87E46-Q83 HydrophobicContact CB-CG 4.39Å; V50-Q83 HydrophobicContact CG2-CB 4.04Å; V50-Q83 HydrophobicContact CG2-CG 4.35Å; V79-Q83 HydrophobicContact CB-CB 3.93Å; V79-Q83 HydrophobicContact CB-CG 4.43Å; V79-Q83 HydrophobicContact CG2-CB 3.79Å; K80-Q83 WeakPolarHBondContact O-CB 3.38Å; K80-Q83 PolarHBondContact O-N 2.97Å; E81-Q83 VanDerWaalsContact C-N 3.26Å; E81-Q83 PolarHBondContact O-N 2.86Å; Q83-E85 VanDerWaalsContact C-N 3.3Å; Q83-E85 PolarHBondContact O-N 3.02Å; Q83-T86 WeakPolarHBondContact O-CB 3.44Å; Q83-T86 PolarHBondContact O-N 3.41Å; Q83-T86 VanDerWaalsContact O-N 3.1Å; Q83-I87 WeakPolarHBondContact O-CG1 3.42Å; Q83-I87 PolarHBondContact O-N 3.27Å
84V86.9Confident87.2Confident0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-59.8-44173.4-1770000110.2V76 V79 K80 E81 T86 I87 V88 L126 V130V76-V84 HydrophobicContact CG1-CG1 4.05Å; V76-V84 HydrophobicContact CG1-CG2 4.26Å; V79-V84 HydrophobicContact CG2-CG2 3.64Å; K80-V84 PolarHBondContact O-N 3.35Å; E81-V84 WeakPolarHBondContact O-CB 3.32Å; E81-V84 PolarHBondContact O-N 3.05Å; E81-V84 VanDerWaalsContact O-N 3.16Å; V84-T86 VanDerWaalsContact C-N 3.29Å; V84-T86 PolarHBondContact O-N 2.6Å; V84-I87 WeakPolarHBondContact O-CB 3.39Å; V84-I87 PolarHBondContact O-N 3.28Å; V84-V88 HydrophobicContact CG1-CG2 4.48Å; V84-V88 WeakPolarHBondContact O-CB 3.26Å; V84-V88 VanDerWaalsContact O-CG2 3.32Å; V84-V88 WeakPolarHBondContact O-CG2 3.4Å; V84-V88 PolarHBondContact O-N 3.35Å; V84-L126 HydrophobicContact CB-CD1 3.94Å; V84-L126 HydrophobicContact CB-CD2 4.5Å; V84-L126 HydrophobicContact CG1-CD1 4.01Å; V84-L126 HydrophobicContact CG1-CD2 4.39Å; V84-L126 HydrophobicContact CG2-CD1 4.45Å; V84-L126 HydrophobicContact CG2-CD2 4.23Å; V84-V130 HydrophobicContact CG1-CG2 4.29Å
85E85.5Confident87.1Confident53 Ų5335 Ų3525%0.24818%0.183CC..Hα-helixtrans-59.4-39.2173.6-74.4-165.1-157.800112.8E81 Q83 V88 D89 K133E81-E85 PolarHBondContact O-N 3.22Å; Q83-E85 VanDerWaalsContact C-N 3.3Å; Q83-E85 PolarHBondContact O-N 3.02Å; E85-V88 PolarHBondContact O-N 3.09Å; E85-D89 WeakPolarHBondContact O-CB 3.09Å; E85-D89 PolarHBondContact O-N 3.47Å; E85-K133 IonicContact OE2-NZ 3.8Å; E85-K133 PolarHBondContact OE2-NZ 3.31Å
86T88.1Confident86.7Confident61 Ų6138.9 Ų38.937%0.37420%0.204SC..Hα-helixtrans-66.4-41.9178-57.80000111.6Y82 Q83 V84 T90Y82-T86 PolarHBondContact O-N 3.34Å; Y82-T86 VanDerWaalsContact O-N 3.16Å; Y82-T86 PolarHBondContact O-OG1 2.77Å; Q83-T86 WeakPolarHBondContact O-CB 3.44Å; Q83-T86 PolarHBondContact O-N 3.41Å; Q83-T86 VanDerWaalsContact O-N 3.1Å; V84-T86 VanDerWaalsContact C-N 3.29Å; V84-T86 PolarHBondContact O-N 2.6Å; T86-T90 WeakPolarHBondContact O-CB 3.12Å; T86-T90 PolarHBondContact O-N 3.02Å; T86-T90 VanDerWaalsContact O-N 3.08Å; T86-T90 PolarHBondContact O-OG1 2.97Å
87I90.7Very high86.5Confident0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-58-52.3173.4-69.2167000109.3V50 L54 L72 L75 Q83 V84 D89 T90 L91 V113V50-I87 HydrophobicContact CG1-CD1 4.27Å; V50-I87 HydrophobicContact CG1-CG1 3.69Å; V50-I87 HydrophobicContact CG2-CD1 4.23Å; L54-I87 HydrophobicContact CD2-CG2 4.45Å; L72-I87 HydrophobicContact CD2-CG2 3.93Å; L75-I87 HydrophobicContact CD2-CD1 4.05Å; L75-I87 HydrophobicContact CG-CD1 4.5Å; Q83-I87 WeakPolarHBondContact O-CG1 3.42Å; Q83-I87 PolarHBondContact O-N 3.27Å; V84-I87 WeakPolarHBondContact O-CB 3.39Å; V84-I87 PolarHBondContact O-N 3.28Å; I87-D89 PolarHBondContact O-N 3.32Å; I87-T90 PolarHBondContact O-N 3.49Å; I87-L91 HydrophobicContact CG2-CD1 3.64Å; I87-L91 HydrophobicContact CG2-CG 4.33Å; I87-L91 VanDerWaalsContact O-CG 3.28Å; I87-L91 WeakPolarHBondContact O-CG 3.17Å; I87-L91 PolarHBondContact O-N 3.24Å; I87-V113 HydrophobicContact CG2-CG2 4Å
88V88.4Confident86.4Confident1 Ų144 Ų441%0.00623%0.227CC..Hα-helixtrans-61-45.9-178165.50000112.1V84 E85 T90 L91 C92 V113 V130 I134V84-V88 HydrophobicContact CG1-CG2 4.48Å; V84-V88 WeakPolarHBondContact O-CB 3.26Å; V84-V88 VanDerWaalsContact O-CG2 3.32Å; V84-V88 WeakPolarHBondContact O-CG2 3.4Å; V84-V88 PolarHBondContact O-N 3.35Å; E85-V88 PolarHBondContact O-N 3.09Å; V88-T90 VanDerWaalsContact C-N 3.31Å; V88-T90 PolarHBondContact O-N 3.44Å; V88-L91 PolarHBondContact O-N 3.48Å; V88-C92 WeakPolarHBondContact O-CB 3.33Å; V88-C92 PolarHBondContact O-N 3.44Å; V88-C92 PolarHBondContact O-SG 3Å; V88-V113 HydrophobicContact CG2-CG1 3.91Å; V88-V130 HydrophobicContact CG1-CG1 4.18Å; V88-V130 HydrophobicContact CG2-CG1 3.82Å; V88-V130 HydrophobicContact CG2-CG2 4.4Å; V88-I134 HydrophobicContact CG1-CD1 3.44Å; V88-I134 VanDerWaalsContact CG1-CD1 3.44Å; V88-I134 HydrophobicContact CG1-CG1 3.31Å; V88-I134 HydrophobicContact CG2-CD1 4.45Å
89D87.6Confident86.3Confident37 Ų3748.2 Ų48.220%0.19825%0.245CC..Hα-helixtrans-63.3-39.5179.2-88.3-37.5000111.9E85 I87 T93 K133 R137E85-D89 WeakPolarHBondContact O-CB 3.09Å; E85-D89 PolarHBondContact O-N 3.47Å; I87-D89 PolarHBondContact O-N 3.32Å; D89-T93 WeakPolarHBondContact O-CB 3.27Å; D89-T93 PolarHBondContact O-N 2.76Å; D89-T93 PolarHBondContact O-OG1 3.28Å; D89-K133 VanDerWaalsContact OD1-CE 3.29Å; D89-K133 WeakPolarHBondContact OD1-CE 3.43Å; D89-K133 IonicContact OD1-NZ 3.05Å; D89-K133 WeakPolarHBondContact OD2-CE 3.37Å; D89-K133 IonicContact OD2-NZ 3.11Å; D89-K133 PolarHBondContact OD2-NZ 3.05Å; D89-R137 IonicContact OD1-CZ 3.87Å; D89-R137 IonicContact OD1-NH2 2.73Å; D89-R137 PolarHBondContact OD1-NH2 3.25Å; D89-R137 VanDerWaalsContact OD1-NH2 3.11Å
90T89.7Confident86.1Confident44 Ų4453.2 Ų53.227%0.2727%0.268SS..Hα-helixtrans-66.5-48.7178.4-53.90000110.5L54 T86 I87 V88 C92 T93 N94L54-T90 HydrophobicContact CD1-CG2 4.18Å; L54-T90 HydrophobicContact CD2-CG2 4.15Å; T86-T90 WeakPolarHBondContact O-CB 3.12Å; T86-T90 PolarHBondContact O-N 3.02Å; T86-T90 VanDerWaalsContact O-N 3.08Å; T86-T90 PolarHBondContact O-OG1 2.97Å; I87-T90 PolarHBondContact O-N 3.49Å; V88-T90 VanDerWaalsContact C-N 3.31Å; V88-T90 PolarHBondContact O-N 3.44Å; T90-C92 PolarHBondContact O-N 2.93Å; T90-T93 PolarHBondContact O-N 3.35Å; T90-T93 VanDerWaalsContact O-N 3.13Å; T90-N94 WeakPolarHBondContact O-CB 3.5Å; T90-N94 PolarHBondContact O-N 2.87Å
91L90.4Very high86.1Confident0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-61.1-43.9177.5-67.7171.3000111.9L57 L72 I87 V88 T93 N94 M95 L110 V113L57-L91 HydrophobicContact CD1-CD2 3.56Å; L72-L91 HydrophobicContact CD1-CD1 4.14Å; L72-L91 HydrophobicContact CD1-CD2 4.34Å; I87-L91 HydrophobicContact CG2-CD1 3.64Å; I87-L91 HydrophobicContact CG2-CG 4.33Å; I87-L91 VanDerWaalsContact O-CG 3.28Å; I87-L91 WeakPolarHBondContact O-CG 3.17Å; I87-L91 PolarHBondContact O-N 3.24Å; V88-L91 PolarHBondContact O-N 3.48Å; L91-T93 VanDerWaalsContact C-N 3.26Å; L91-T93 PolarHBondContact O-N 2.53Å; L91-N94 PolarHBondContact O-N 3.45Å; L91-M95 WeakPolarHBondContact O-CB 3.49Å; L91-M95 PolarHBondContact O-N 3.14Å; L91-L110 HydrophobicContact CB-CB 4.29Å; L91-L110 HydrophobicContact CB-CD1 4.32Å; L91-L110 HydrophobicContact CD1-CB 4.48Å; L91-V113 HydrophobicContact CD1-CG2 3.94Å
92C85.7Confident86.2Confident2 Ų251.6 Ų51.61%0.01426%0.262CS..Hα-helixtrans-61.9-33175.3-73.90000113.2V88 T90V88-C92 WeakPolarHBondContact O-CB 3.33Å; V88-C92 PolarHBondContact O-N 3.44Å; V88-C92 PolarHBondContact O-SG 3Å; T90-C92 PolarHBondContact O-N 2.93Å
93T87.3Confident86.3Confident73 Ų7348.2 Ų48.245%0.44825%0.248SC..Hα-helixtrans-76.6-42.6179.1-56.10000110.3D89 T90 L91 M95 L96 R137D89-T93 WeakPolarHBondContact O-CB 3.27Å; D89-T93 PolarHBondContact O-N 2.76Å; D89-T93 PolarHBondContact O-OG1 3.28Å; T90-T93 PolarHBondContact O-N 3.35Å; T90-T93 VanDerWaalsContact O-N 3.13Å; L91-T93 VanDerWaalsContact C-N 3.26Å; L91-T93 PolarHBondContact O-N 2.53Å; T93-M95 VanDerWaalsContact C-N 3.32Å; T93-M95 PolarHBondContact O-N 3.44Å; T93-L96 PolarHBondContact O-N 3.23Å; T93-L96 VanDerWaalsContact O-N 3.11Å; T93-R137 PolarHBondContact OG1-NH1 2.98Å
94N88Confident86.1Confident24 Ų2450.4 Ų50.413%0.12826%0.26CS..Hα-helixtrans-69.3-27.9177.8-71.4-3.2000113.1T90 L91 L96 S97 L102 R103 S106T90-N94 WeakPolarHBondContact O-CB 3.5Å; T90-N94 PolarHBondContact O-N 2.87Å; L91-N94 PolarHBondContact O-N 3.45Å; N94-L96 PolarHBondContact O-N 2.89Å; N94-S97 WeakPolarHBondContact O-CB 3.44Å; N94-S97 PolarHBondContact O-N 3.05Å; N94-L102 HydrophobicContact CB-CD1 4.4Å; N94-L102 HydrophobicContact CB-CD2 4.41Å; N94-L102 HydrophobicContact CB-CG 4.09Å; N94-R103 WeakPolarHBondContact O-CA 3.44Å; N94-S106 WeakPolarHBondContact CB-OG 3.35Å
95M85.4Confident86.2Confident1 Ų150.9 Ų50.91%0.00526%0.263CS..THydrogen-bonded Turntrans-59.8-22.7170.2-169.6-165.775.900112.4L91 T93 R103 L110 L138 A141 A154 I157L91-M95 WeakPolarHBondContact O-CB 3.49Å; L91-M95 PolarHBondContact O-N 3.14Å; T93-M95 VanDerWaalsContact C-N 3.32Å; T93-M95 PolarHBondContact O-N 3.44Å; M95-R103 WeakPolarHBondContact O-CG 3.28Å; M95-L110 HydrophobicContact SD-CD2 4.44Å; M95-L138 HydrophobicContact CE-CD2 4.07Å; M95-L138 HydrophobicContact SD-CD2 4.11Å; M95-A141 HydrophobicContact CE-CB 4Å; M95-A154 HydrophobicContact CE-CB 4.45Å; M95-I157 HydrophobicContact SD-CD1 3.72Å
96L82.6Confident86.4Confident81 Ų8148.3 Ų48.342%0.42425%0.251SS..THydrogen-bonded Turntrans-101.414.5175.6-57.1177.3000112.3T93 N94 A141 V150T93-L96 PolarHBondContact O-N 3.23Å; T93-L96 VanDerWaalsContact O-N 3.11Å; N94-L96 PolarHBondContact O-N 2.89Å; L96-A141 HydrophobicContact CD2-CB 4.13Å; L96-V150 HydrophobicContact CD2-CG1 3.64Å
97S82.9Confident86.3Confident31 Ų3145.4 Ų45.422%0.21723%0.233CC..  trans-74.8143.6179.8-170.80000111.6N94 K99N94-S97 WeakPolarHBondContact O-CB 3.44Å; N94-S97 PolarHBondContact O-N 3.05Å; S97-K99 PolarHBondContact O-N 2.7Å; S97-K99 PolarHBondContact OG-N 3.25Å
98D79.6Confident86.2Confident168 Ų16849.1 Ų49.190%0.89825%0.252SS*.SBendtrans-66.5-12.4171.2-55.7-39.9000112.9E100D98-E100 PolarHBondContact O-N 3.38Å
99K83.4Confident86.3Confident137 Ų13749 Ų4960%0.59625%0.251SS*.  trans-87.3102.9176.5-67.9-178.5-177.1175.60110.4S97 Q101 L102 R103S97-K99 PolarHBondContact O-N 2.7Å; S97-K99 PolarHBondContact OG-N 3.25Å; K99-Q101 PolarHBondContact O-N 3.18Å; K99-L102 HydrophobicContact CB-CB 3.91Å; K99-L102 PolarHBondContact O-N 3.15Å; K99-R103 PolarHBondContact O-N 2.84Å
100E82.7Confident86.4Confident122 Ų12247.3 Ų47.357%0.5724%0.242SC*.Hα-helixtrans-46-51.7179.1173.9166.8-143.400113.9D98 L102 R103 D104D98-E100 PolarHBondContact O-N 3.38Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.1Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 2.91Å; E100-R103 IonicContact OE1-NH2 3.67Å; E100-D104 VanDerWaalsContact O-CG 3.27Å; E100-D104 PolarHBondContact O-N 2.94Å
101Q84.3Confident86.3Confident142 Ų14247.5 Ų47.566%0.66424%0.239SC*.Hα-helixtrans-59.8-39.3179.3-68.8178.7-15.600113.2K99 I105K99-Q101 PolarHBondContact O-N 3.18Å; Q101-I105 WeakPolarHBondContact O-CB 3.32Å; Q101-I105 VanDerWaalsContact O-CG2 3.25Å; Q101-I105 WeakPolarHBondContact O-CG2 3.18Å; Q101-I105 PolarHBondContact O-N 2.95Å
102L87.3Confident86.2Confident12 Ų1249.4 Ų49.46%0.06325%0.251CS..Hα-helixtrans-73-36.1179.6-177.858.2000111.1E58 N94 K99 E100 I105 S106E58-L102 HydrophobicContact CG-CD1 3.67Å; E58-L102 HydrophobicContact CG-CD2 4.18Å; N94-L102 HydrophobicContact CB-CD1 4.4Å; N94-L102 HydrophobicContact CB-CD2 4.41Å; N94-L102 HydrophobicContact CB-CG 4.09Å; K99-L102 HydrophobicContact CB-CB 3.91Å; K99-L102 PolarHBondContact O-N 3.15Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.1Å; L102-I105 HydrophobicContact CD1-CG2 4.34Å; L102-I105 WeakPolarHBondContact O-CG2 3.32Å; L102-S106 WeakPolarHBondContact O-CB 3.34Å; L102-S106 PolarHBondContact O-N 3.14Å; L102-S106 VanDerWaalsContact O-N 3.1Å; L102-S106 PolarHBondContact O-OG 3.39Å
103R86.3Confident86.3Confident18 Ų1849.3 Ų49.37%0.06825%0.25CS..Hα-helixtrans-61.1-54.9173.7171.3-176.868.8-150-1.6110.6N94 M95 K99 E100 I105 S106 S107 D147 S149 V150N94-R103 WeakPolarHBondContact O-CA 3.44Å; M95-R103 WeakPolarHBondContact O-CG 3.28Å; K99-R103 PolarHBondContact O-N 2.84Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 2.91Å; E100-R103 IonicContact OE1-NH2 3.67Å; R103-I105 PolarHBondContact O-N 2.85Å; R103-S106 PolarHBondContact O-N 3.32Å; R103-S107 PolarHBondContact O-N 2.86Å; R103-S107 PolarHBondContact O-OG 3.33Å; R103-S107 VanDerWaalsContact O-OG 3.09Å; R103-D147 IonicContact CZ-OD2 3.73Å; R103-D147 IonicContact NH1-OD1 3.3Å; R103-D147 IonicContact NH1-OD2 3.48Å; R103-D147 PolarHBondContact NH1-OD2 3.32Å; R103-S149 PolarHBondContact NH2-OG 2.88Å; R103-V150 VanDerWaalsContact CD-CG2 3.4Å; R103-V150 HydrophobicContact CG-CG2 4.43Å
104D85.3Confident86.2Confident51 Ų5145.9 Ų45.927%0.27323%0.229SC..Hα-helixtrans-65-44.9-172.8-61.5-9.1000111.3E100 S106 S107 I108E100-D104 VanDerWaalsContact O-CG 3.27Å; E100-D104 PolarHBondContact O-N 2.94Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 3.08Å; D104-S107 WeakPolarHBondContact O-CB 3.28Å; D104-S107 PolarHBondContact O-N 2.64Å; D104-I108 WeakPolarHBondContact O-CG1 3.25Å; D104-I108 PolarHBondContact O-N 2.74Å; D104-I108 VanDerWaalsContact O-N 3.08Å
105I88.5Confident86Confident10 Ų1046.1 Ų46.15%0.05124%0.237CC..Hα-helixtrans-65.2-35177-161.669.9000112.1L57 Q65 V69 Q101 L102 R103 I108 G109L57-I105 HydrophobicContact CB-CG2 4.33Å; L57-I105 HydrophobicContact CD2-CG1 4.22Å; Q65-I105 HydrophobicContact CB-CD1 3.93Å; Q65-I105 HydrophobicContact CB-CG1 4.01Å; V69-I105 HydrophobicContact CG2-CD1 3.52Å; V69-I105 HydrophobicContact CG2-CG1 3.53Å; Q101-I105 WeakPolarHBondContact O-CB 3.32Å; Q101-I105 VanDerWaalsContact O-CG2 3.25Å; Q101-I105 WeakPolarHBondContact O-CG2 3.18Å; Q101-I105 PolarHBondContact O-N 2.95Å; L102-I105 HydrophobicContact CD1-CG2 4.34Å; L102-I105 WeakPolarHBondContact O-CG2 3.32Å; R103-I105 PolarHBondContact O-N 2.85Å; I105-I108 PolarHBondContact O-N 3.31Å; I105-G109 PolarHBondContact O-N 3.28Å
106S90Very high86Confident0 Ų051.2 Ų51.20%026%0.261CS..Hα-helixtrans-71.7-33177.5-61.40000112N94 L102 R103 D104 G109 L110N94-S106 WeakPolarHBondContact CB-OG 3.35Å; L102-S106 WeakPolarHBondContact O-CB 3.34Å; L102-S106 PolarHBondContact O-N 3.14Å; L102-S106 VanDerWaalsContact O-N 3.1Å; L102-S106 PolarHBondContact O-OG 3.39Å; R103-S106 PolarHBondContact O-N 3.32Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 3.08Å; S106-G109 PolarHBondContact O-N 2.94Å; S106-L110 WeakPolarHBondContact O-CB 3.21Å; S106-L110 PolarHBondContact O-N 2.96Å
107S87.1Confident86Confident0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-64.6-45.2172.2-60.80000111.7R103 D104 G109 L110 K111 E153R103-S107 PolarHBondContact O-N 2.86Å; R103-S107 PolarHBondContact O-OG 3.33Å; R103-S107 VanDerWaalsContact O-OG 3.09Å; D104-S107 WeakPolarHBondContact O-CB 3.28Å; D104-S107 PolarHBondContact O-N 2.64Å; S107-G109 VanDerWaalsContact C-N 3.34Å; S107-L110 PolarHBondContact O-N 2.87Å; S107-K111 WeakPolarHBondContact O-CG 3.24Å; S107-K111 PolarHBondContact O-N 3.45Å; S107-E153 WeakPolarHBondContact CB-OE2 3.28Å
108I88Confident85.6Confident77 Ų7748.5 Ų48.540%0.39525%0.247SC..Hα-helixtrans-63.5-42.5174.7-57.3167.7000110.2V69 D104 I105 L110 K111 T112V69-I108 HydrophobicContact CG1-CB 4.4Å; V69-I108 HydrophobicContact CG1-CG2 3.75Å; D104-I108 WeakPolarHBondContact O-CG1 3.25Å; D104-I108 PolarHBondContact O-N 2.74Å; D104-I108 VanDerWaalsContact O-N 3.08Å; I105-I108 PolarHBondContact O-N 3.31Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.45Å; I108-K111 PolarHBondContact O-N 3.1Å; I108-T112 WeakPolarHBondContact O-CB 3.45Å; I108-T112 PolarHBondContact O-N 3.1Å; I108-T112 PolarHBondContact O-OG1 3.27Å
109G89.6Confident85.2Confident0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-57-45.8173.500000112.5I105 S106 S107 T112 V113I105-G109 PolarHBondContact O-N 3.28Å; S106-G109 PolarHBondContact O-N 2.94Å; S107-G109 VanDerWaalsContact C-N 3.34Å; G109-T112 WeakPolarHBondContact O-CB 3.33Å; G109-T112 PolarHBondContact O-N 3.26Å; G109-V113 VanDerWaalsContact O-CG2 3.31Å; G109-V113 WeakPolarHBondContact O-CG2 3.33Å; G109-V113 PolarHBondContact O-N 3.29Å
110L89.4Confident84.3Confident0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-66.7-43179.6-171.657.5000111.8L91 M95 S106 S107 I108 T112 V113 I114 I134 I157L91-L110 HydrophobicContact CB-CB 4.29Å; L91-L110 HydrophobicContact CB-CD1 4.32Å; L91-L110 HydrophobicContact CD1-CB 4.48Å; M95-L110 HydrophobicContact SD-CD2 4.44Å; S106-L110 WeakPolarHBondContact O-CB 3.21Å; S106-L110 PolarHBondContact O-N 2.96Å; S107-L110 PolarHBondContact O-N 2.87Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.45Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 3.11Å; L110-V113 PolarHBondContact O-N 3.14Å; L110-I114 HydrophobicContact CD1-CD1 4.14Å; L110-I114 HydrophobicContact CD1-CG1 4.45Å; L110-I114 HydrophobicContact CG-CD1 3.89Å; L110-I114 WeakPolarHBondContact O-CB 3.48Å; L110-I114 WeakPolarHBondContact O-CD1 3.29Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.43Å; L110-I114 PolarHBondContact O-N 3.36Å; L110-I134 HydrophobicContact CD1-CD1 4.06Å; L110-I157 HydrophobicContact CB-CD1 4.38Å; L110-I157 HydrophobicContact CD2-CD1 3.81Å; L110-I157 HydrophobicContact CD2-CG2 4.21Å; L110-I157 HydrophobicContact CG-CD1 4.33Å; L110-I157 HydrophobicContact CG-CG2 4.37Å
111K87.8Confident83.3Confident48 Ų4835.8 Ų35.821%0.20920%0.202CC..Hα-helixtrans-58.4-42.4172.7-74.2173.7172.7161.20111.8S107 I108 I114 G115 E153 D156 I157S107-K111 WeakPolarHBondContact O-CG 3.24Å; S107-K111 PolarHBondContact O-N 3.45Å; I108-K111 PolarHBondContact O-N 3.1Å; K111-I114 PolarHBondContact O-N 3.27Å; K111-G115 PolarHBondContact O-N 3.46Å; K111-E153 IonicContact NZ-OE2 3.84Å; K111-E153 PolarHBondContact NZ-OE2 3.45Å; K111-D156 VanDerWaalsContact NZ-CB 3.27Å; K111-D156 IonicContact NZ-OD2 3.79Å; K111-D156 PolarHBondContact NZ-OD2 3.3Å; K111-I157 HydrophobicContact CD-CG1 4.45Å; K111-I157 HydrophobicContact CG-CG1 3.76Å
112T88.5Confident82.2Confident40 Ų4031.8 Ų31.825%0.24519%0.19CC..Hα-helixtrans-62.8-49.5176.9-54.80000110.8I108 G109 L110 I114 G115 E116I108-T112 WeakPolarHBondContact O-CB 3.45Å; I108-T112 PolarHBondContact O-N 3.1Å; I108-T112 PolarHBondContact O-OG1 3.27Å; G109-T112 WeakPolarHBondContact O-CB 3.33Å; G109-T112 PolarHBondContact O-N 3.26Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 3.11Å; T112-I114 PolarHBondContact O-N 3Å; T112-G115 PolarHBondContact O-N 3.38Å; T112-G115 VanDerWaalsContact O-N 3.11Å; T112-E116 PolarHBondContact O-N 3.24Å
113V88.6Confident81.1Confident0 Ų034.3 Ų34.30%022%0.219CC..Hα-helixtrans-60-45.1178.1169.20000111.5L72 V76 I87 V88 L91 G109 L110 G115 E116 L117L72-V113 HydrophobicContact CB-CG2 4.04Å; L72-V113 HydrophobicContact CD1-CG2 4.39Å; V76-V113 HydrophobicContact CG2-CB 4.25Å; V76-V113 HydrophobicContact CG2-CG1 3.81Å; V76-V113 HydrophobicContact CG2-CG2 3.87Å; I87-V113 HydrophobicContact CG2-CG2 4Å; V88-V113 HydrophobicContact CG2-CG1 3.91Å; L91-V113 HydrophobicContact CD1-CG2 3.94Å; G109-V113 VanDerWaalsContact O-CG2 3.31Å; G109-V113 WeakPolarHBondContact O-CG2 3.33Å; G109-V113 PolarHBondContact O-N 3.29Å; L110-V113 PolarHBondContact O-N 3.14Å; V113-G115 PolarHBondContact O-N 2.93Å; V113-E116 PolarHBondContact O-N 3.28Å; V113-L117 PolarHBondContact O-N 3.18Å
114I85.6Confident80.3Confident1 Ų134.8 Ų34.81%0.00523%0.225CC..Hα-helixtrans-64.2-30.6177.9-68.4163.8000111.5L110 K111 T112 E116 L117 I134 I157 M161 Q165L110-I114 HydrophobicContact CD1-CD1 4.14Å; L110-I114 HydrophobicContact CD1-CG1 4.45Å; L110-I114 HydrophobicContact CG-CD1 3.89Å; L110-I114 WeakPolarHBondContact O-CB 3.48Å; L110-I114 WeakPolarHBondContact O-CD1 3.29Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.43Å; L110-I114 PolarHBondContact O-N 3.36Å; K111-I114 PolarHBondContact O-N 3.27Å; T112-I114 PolarHBondContact O-N 3Å; I114-E116 VanDerWaalsContact C-N 3.32Å; I114-L117 HydrophobicContact CG1-CD1 4.47Å; I114-L117 PolarHBondContact O-N 3.33Å; I114-I134 HydrophobicContact CD1-CD1 4.35Å; I114-I134 HydrophobicContact CG1-CD1 4.42Å; I114-I157 HydrophobicContact CD1-CG2 3.45Å; I114-I157 VanDerWaalsContact CD1-CG2 3.45Å; I114-M161 HydrophobicContact CD1-CG 3.84Å; I114-M161 HydrophobicContact CD1-SD 4.05Å; I114-M161 HydrophobicContact CG1-CG 4.47Å; I114-M161 HydrophobicContact CG2-CG 3.91Å; I114-Q165 PolarHBondContact O-NE2 3.28Å
115G83.8Confident79.9Confident29 Ų2935.1 Ų35.130%0.29924%0.235SC..Hα-helixtrans-70.2-24.8175.500000115.2K111 T112 V113K111-G115 PolarHBondContact O-N 3.46Å; T112-G115 PolarHBondContact O-N 3.38Å; T112-G115 VanDerWaalsContact O-N 3.11Å; V113-G115 PolarHBondContact O-N 2.93Å
116E85.4Confident79.5Confident108 Ų10835.6 Ų35.651%0.50524%0.237SC..Hα-helixtrans-96.6-3.8177.6-61.2-62.4151.400113.2T112 V113 I114T112-E116 PolarHBondContact O-N 3.24Å; V113-E116 PolarHBondContact O-N 3.28Å; I114-E116 VanDerWaalsContact C-N 3.32Å
117L82.2Confident79Confident9 Ų935.6 Ų35.65%0.04724%0.237CC..SBendtrans-66.2139.9173.3-71.9175.1000110V76 V113 I114 L126 V130V76-L117 HydrophobicContact CG1-CD2 4.48Å; V113-L117 PolarHBondContact O-N 3.18Å; I114-L117 HydrophobicContact CG1-CD1 4.47Å; I114-L117 PolarHBondContact O-N 3.33Å; L117-L126 HydrophobicContact CD2-CG 4.5Å; L117-V130 HydrophobicContact CD1-CB 4.33Å; L117-V130 HydrophobicContact CD1-CG1 3.74Å
118P75.4Confident78.7Confident47 Ų4737.3 Ų37.331%0.30525%0.252SS..PPolyproline II helixtrans-52.2139.2173.3-27.134.9000111.6S122P118-S122 WeakPolarHBondContact CB-OG 3.3Å
119P70.5Confident78.3Confident74 Ų7437.2 Ų37.248%0.48125%0.252SS..PPolyproline II helixtrans-60.3157177.925.6-34000110.7S121 S122P119-S121 PolarHBondContact O-N 3.01Å; P119-S122 VanDerWaalsContact O-CB 3.31Å; P119-S122 WeakPolarHBondContact O-CB 3.47Å; P119-S122 PolarHBondContact O-N 2.99Å; P119-S122 PolarHBondContact O-OG 3.34Å
120A64.4Low78Confident31 Ų3137.2 Ų37.226%0.25625%0.252SS..G310 helixtrans-53.4-31.4-177.900000113.5S122 G123 L168A120-S122 PolarHBondContact O-N 3.26Å; A120-G123 PolarHBondContact O-N 3.32Å; A120-L168 HydrophobicContact CB-CD1 4.33Å; A120-L168 HydrophobicContact CB-CG 3.91Å
121S60.7Low77.8Confident54 Ų5437.3 Ų37.338%0.37825%0.252SS..G310 helixtrans-65.2-13.1177.753.70000114.9P119 G123 S1200P119-S121 PolarHBondContact O-N 3.01Å; S121-G123 VanDerWaalsContact C-N 3.35Å; S121-S1200 PolarHBondContact O-OG 3.1Å
122S62.9Low77.5Confident58 Ų5841.6 Ų41.641%0.40627%0.271SS..G310 helixtrans-78.6-15.117866.10000114P118 P119 A120 S124P118-S122 WeakPolarHBondContact CB-OG 3.3Å; P119-S122 VanDerWaalsContact O-CB 3.31Å; P119-S122 WeakPolarHBondContact O-CB 3.47Å; P119-S122 PolarHBondContact O-N 2.99Å; P119-S122 PolarHBondContact O-OG 3.34Å; A120-S122 PolarHBondContact O-N 3.26Å; S122-S124 PolarHBondContact O-N 3.35Å; S122-S124 WeakPolarHBondContact OG-CB 3.26Å; S122-S124 PolarHBondContact OG-N 2.82Å
123G62.7Low77.1Confident65 Ų6543.3 Ų43.367%0.6728%0.275SS*.  trans63.716.9-174.700000114.3A120 S121 A125A120-G123 PolarHBondContact O-N 3.32Å; S121-G123 VanDerWaalsContact C-N 3.35Å; G123-A125 PolarHBondContact O-N 3.12Å
124S70.8Confident77Confident29 Ų2943.4 Ų43.420%0.20328%0.276CS..  trans-64.1120.3-176.6178.60000112.3S122 L126 A127 A128S122-S124 PolarHBondContact O-N 3.35Å; S122-S124 WeakPolarHBondContact OG-CB 3.26Å; S122-S124 PolarHBondContact OG-N 2.82Å; S124-L126 PolarHBondContact O-N 3.24Å; S124-L126 PolarHBondContact OG-N 3.23Å; S124-A127 PolarHBondContact O-N 3.32Å; S124-A128 PolarHBondContact O-N 3.39Å
125A77.2Confident77.1Confident58 Ų5843.4 Ų43.448%0.47928%0.276SS..Hα-helixtrans-60-35.2175.200000112G123 A128 N129G123-A125 PolarHBondContact O-N 3.12Å; A125-A128 PolarHBondContact O-N 3.46Å; A125-N129 WeakPolarHBondContact O-CB 3.16Å; A125-N129 VanDerWaalsContact O-CG 3.31Å; A125-N129 PolarHBondContact O-N 3.49Å; A125-N129 PolarHBondContact O-ND2 2.87Å
126L79.4Confident77.2Confident19 Ų1943.9 Ų43.910%0.09928%0.281CS..Hα-helixtrans-56.9-52.3175175.461.5000111.9E81 V84 L117 S124 A128 N129 V130E81-L126 HydrophobicContact CB-CD1 3.88Å; E81-L126 HydrophobicContact CG-CB 4.09Å; E81-L126 HydrophobicContact CG-CD1 4.01Å; E81-L126 HydrophobicContact CG-CD2 4.46Å; E81-L126 HydrophobicContact CG-CG 4.41Å; V84-L126 HydrophobicContact CB-CD1 3.94Å; V84-L126 HydrophobicContact CB-CD2 4.5Å; V84-L126 HydrophobicContact CG1-CD1 4.01Å; V84-L126 HydrophobicContact CG1-CD2 4.39Å; V84-L126 HydrophobicContact CG2-CD1 4.45Å; V84-L126 HydrophobicContact CG2-CD2 4.23Å; L117-L126 HydrophobicContact CD2-CG 4.5Å; S124-L126 PolarHBondContact O-N 3.24Å; S124-L126 PolarHBondContact OG-N 3.23Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 3.07Å; L126-N129 PolarHBondContact O-N 3.31Å; L126-V130 HydrophobicContact CD1-CG2 3.87Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CB 3.3Å; L126-V130 VanDerWaalsContact O-CG2 3.3Å; L126-V130 WeakPolarHBondContact O-CG2 3.45Å; L126-V130 PolarHBondContact O-N 3.1Å
127A79.3Confident77.2Confident0 Ų042.8 Ų42.80%027%0.272CS..Hα-helixtrans-60.2-44-179.200000110.8S124 N129 V130 C131 L168S124-A127 PolarHBondContact O-N 3.32Å; A127-N129 PolarHBondContact O-N 3.35Å; A127-V130 PolarHBondContact O-N 3.42Å; A127-C131 VanDerWaalsContact O-CB 3.25Å; A127-C131 WeakPolarHBondContact O-CB 3.46Å; A127-C131 PolarHBondContact O-N 3.19Å; A127-C131 PolarHBondContact O-SG 3.34Å; A127-L168 HydrophobicContact CB-CD1 3.87Å
128A79.6Confident77.5Confident37 Ų3742.3 Ų42.331%0.30627%0.27SS..Hα-helixtrans-61.6-44.9177.700000112.8S124 A125 L126 K132 L168S124-A128 PolarHBondContact O-N 3.39Å; A125-A128 PolarHBondContact O-N 3.46Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 3.07Å; A128-K132 VanDerWaalsContact O-CB 3.26Å; A128-K132 WeakPolarHBondContact O-CB 3.47Å; A128-K132 PolarHBondContact O-N 3.17Å; A128-L168 HydrophobicContact CB-CD2 4.45Å
129N80.8Confident78.1Confident74 Ų7441.1 Ų41.140%0.39626%0.261SS..Hα-helixtrans-66.2-45179.6-74.2-21.2000112A125 L126 A127 K132 K133A125-N129 WeakPolarHBondContact O-CB 3.16Å; A125-N129 VanDerWaalsContact O-CG 3.31Å; A125-N129 PolarHBondContact O-N 3.49Å; A125-N129 PolarHBondContact O-ND2 2.87Å; L126-N129 PolarHBondContact O-N 3.31Å; A127-N129 PolarHBondContact O-N 3.35Å; N129-K132 PolarHBondContact O-N 3.46Å; N129-K133 WeakPolarHBondContact O-CB 3.34Å; N129-K133 PolarHBondContact O-N 3.35Å
130V83.5Confident78.9Confident1 Ų140.4 Ų40.41%0.00626%0.258CS..Hα-helixtrans-61.3-50.7176.91690000110.6V84 V88 L117 L126 A127 K132 K133 I134V84-V130 HydrophobicContact CG1-CG2 4.29Å; V88-V130 HydrophobicContact CG1-CG1 4.18Å; V88-V130 HydrophobicContact CG2-CG1 3.82Å; V88-V130 HydrophobicContact CG2-CG2 4.4Å; L117-V130 HydrophobicContact CD1-CB 4.33Å; L117-V130 HydrophobicContact CD1-CG1 3.74Å; L126-V130 HydrophobicContact CD1-CG2 3.87Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CB 3.3Å; L126-V130 VanDerWaalsContact O-CG2 3.3Å; L126-V130 WeakPolarHBondContact O-CG2 3.45Å; L126-V130 PolarHBondContact O-N 3.1Å; A127-V130 PolarHBondContact O-N 3.42Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 2.86Å; V130-K133 PolarHBondContact O-N 3.38Å; V130-I134 HydrophobicContact CG1-CD1 3.47Å; V130-I134 VanDerWaalsContact CG1-CD1 3.47Å; V130-I134 HydrophobicContact CG1-CG1 4.28Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.36Å; V130-I134 PolarHBondContact O-N 3.1Å
131C84.4Confident79.9Confident1 Ų139 Ų391%0.00725%0.247CC..Hα-helixtrans-57.3-45.4177.2-73.20000111.8A127 K133 I134 T135 M161 L169A127-C131 VanDerWaalsContact O-CB 3.25Å; A127-C131 WeakPolarHBondContact O-CB 3.46Å; A127-C131 PolarHBondContact O-N 3.19Å; A127-C131 PolarHBondContact O-SG 3.34Å; C131-K133 VanDerWaalsContact C-N 3.32Å; C131-K133 PolarHBondContact O-N 3.48Å; C131-I134 PolarHBondContact O-N 3.35Å; C131-T135 WeakPolarHBondContact O-CB 3.22Å; C131-T135 PolarHBondContact O-N 3.35Å; C131-T135 PolarHBondContact O-OG1 2.91Å; C131-M161 HydrophobicContact CB-CE 4.07Å; C131-L169 HydrophobicContact CB-CD2 3.86Å
132K81.9Confident81.3Confident138 Ų13836.5 Ų36.560%0.623%0.229SC*.Hα-helixtrans-58.9-41177.7-179.3173.5-177.1-176.50112.7A128 N129 V130 F172A128-K132 VanDerWaalsContact O-CB 3.26Å; A128-K132 WeakPolarHBondContact O-CB 3.47Å; A128-K132 PolarHBondContact O-N 3.17Å; N129-K132 PolarHBondContact O-N 3.46Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 2.86Å; K132-F172 HydrophobicContact CB-CE2 4.36Å; K132-F172 HydrophobicContact CB-CZ 4.49Å; K132-F172 HydrophobicContact CG-CE2 4.11Å; K132-F172 HydrophobicContact CG-CZ 3.83Å
133K81Confident82.3Confident76 Ų7636.6 Ų36.633%0.3323%0.234SC..Hα-helixtrans-74-40.9-177.1-157176.2-158.7175.80112.4E85 D89 N129 V130 C131E85-K133 IonicContact OE2-NZ 3.8Å; E85-K133 PolarHBondContact OE2-NZ 3.31Å; D89-K133 VanDerWaalsContact OD1-CE 3.29Å; D89-K133 WeakPolarHBondContact OD1-CE 3.43Å; D89-K133 IonicContact OD1-NZ 3.05Å; D89-K133 WeakPolarHBondContact OD2-CE 3.37Å; D89-K133 IonicContact OD2-NZ 3.11Å; D89-K133 PolarHBondContact OD2-NZ 3.05Å; N129-K133 WeakPolarHBondContact O-CB 3.34Å; N129-K133 PolarHBondContact O-N 3.35Å; V130-K133 PolarHBondContact O-N 3.38Å; C131-K133 VanDerWaalsContact C-N 3.32Å; C131-K133 PolarHBondContact O-N 3.48Å
134I86.4Confident82.9Confident2 Ų239.7 Ų39.71%0.0123%0.229CC..Hα-helixtrans-72.1-41.5-178.8-64.5172.4000111.3V88 L110 I114 V130 C131 G136 R137 L138 M161V88-I134 HydrophobicContact CG1-CD1 3.44Å; V88-I134 VanDerWaalsContact CG1-CD1 3.44Å; V88-I134 HydrophobicContact CG1-CG1 3.31Å; V88-I134 HydrophobicContact CG2-CD1 4.45Å; L110-I134 HydrophobicContact CD1-CD1 4.06Å; I114-I134 HydrophobicContact CD1-CD1 4.35Å; I114-I134 HydrophobicContact CG1-CD1 4.42Å; V130-I134 HydrophobicContact CG1-CD1 3.47Å; V130-I134 VanDerWaalsContact CG1-CD1 3.47Å; V130-I134 HydrophobicContact CG1-CG1 4.28Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.36Å; V130-I134 PolarHBondContact O-N 3.1Å; C131-I134 PolarHBondContact O-N 3.35Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 3.18Å; I134-R137 WeakPolarHBondContact O-CB 3.4Å; I134-R137 PolarHBondContact O-N 3.44Å; I134-L138 HydrophobicContact CG2-CD1 3.43Å; I134-L138 VanDerWaalsContact CG2-CD1 3.43Å; I134-L138 HydrophobicContact CG2-CD2 4.34Å; I134-L138 HydrophobicContact CG2-CG 3.59Å; I134-L138 PolarHBondContact O-N 3Å; I134-M161 HydrophobicContact CB-CE 4.32Å; I134-M161 HydrophobicContact CB-SD 4.33Å; I134-M161 HydrophobicContact CG2-CE 4.28Å; I134-M161 HydrophobicContact CG2-SD 3.7Å
135T87.4Confident82.8Confident1 Ų144.7 Ų44.71%0.00625%0.249CC..Hα-helixtrans-53.8-46.9-169.9-61.40000112.6C131 R137 L138 T139 L169 F172 I176C131-T135 WeakPolarHBondContact O-CB 3.22Å; C131-T135 PolarHBondContact O-N 3.35Å; C131-T135 PolarHBondContact O-OG1 2.91Å; T135-R137 VanDerWaalsContact C-N 3.32Å; T135-R137 PolarHBondContact O-N 3.44Å; T135-L138 PolarHBondContact O-N 3.31Å; T135-T139 HydrophobicContact CG2-CG2 4.41Å; T135-T139 WeakPolarHBondContact O-CG2 3.27Å; T135-T139 PolarHBondContact O-N 3.43Å; T135-T139 PolarHBondContact O-OG1 2.74Å; T135-T139 VanDerWaalsContact O-OG1 3.1Å; T135-L169 VanDerWaalsContact OG1-CD2 3.27Å; T135-L169 WeakPolarHBondContact OG1-CD2 3.42Å; T135-F172 HydrophobicContact CG2-CB 3.88Å; T135-F172 HydrophobicContact CG2-CD1 3.95Å; T135-F172 HydrophobicContact CG2-CG 3.91Å; T135-I176 HydrophobicContact CG2-CD1 4.04Å; T135-I176 HydrophobicContact CG2-CG1 4.14Å
136G85.3Confident82.6Confident40 Ų4051 Ų5141%0.41227%0.269SS..Hα-helixtrans-63.5-34.6179.700000113.8I134 T139 S140I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 3.18Å; G136-T139 WeakPolarHBondContact CA-OG1 3.31Å; G136-T139 PolarHBondContact O-OG1 3.3Å; G136-S140 WeakPolarHBondContact O-CB 3.43Å; G136-S140 PolarHBondContact O-N 2.89Å
137R85.4Confident82.5Confident84 Ų8453.1 Ų53.132%0.31728%0.28SS..Hα-helixtrans-71.4-42.7176.2-65.9-170.2-175.9-144.315.4111.2D89 T93 I134 T135 S140 A141D89-R137 IonicContact OD1-CZ 3.87Å; D89-R137 IonicContact OD1-NH2 2.73Å; D89-R137 PolarHBondContact OD1-NH2 3.25Å; D89-R137 VanDerWaalsContact OD1-NH2 3.11Å; T93-R137 PolarHBondContact OG1-NH1 2.98Å; I134-R137 WeakPolarHBondContact O-CB 3.4Å; I134-R137 PolarHBondContact O-N 3.44Å; T135-R137 VanDerWaalsContact C-N 3.32Å; T135-R137 PolarHBondContact O-N 3.44Å; R137-S140 PolarHBondContact O-N 2.81Å; R137-A141 WeakPolarHBondContact O-CB 3.47Å; R137-A141 PolarHBondContact O-N 3.25Å
138L88.3Confident82.8Confident0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-65.1-44.1177.1-65.7178.7000111.9M95 I134 T135 S140 A141 I142 A154 I157 M158 M161M95-L138 HydrophobicContact CE-CD2 4.07Å; M95-L138 HydrophobicContact SD-CD2 4.11Å; I134-L138 HydrophobicContact CG2-CD1 3.43Å; I134-L138 VanDerWaalsContact CG2-CD1 3.43Å; I134-L138 HydrophobicContact CG2-CD2 4.34Å; I134-L138 HydrophobicContact CG2-CG 3.59Å; I134-L138 PolarHBondContact O-N 3Å; T135-L138 PolarHBondContact O-N 3.31Å; L138-S140 PolarHBondContact O-N 3.21Å; L138-A141 PolarHBondContact O-N 2.73Å; L138-A141 VanDerWaalsContact O-N 3.14Å; L138-I142 VanDerWaalsContact O-CG1 3.25Å; L138-I142 WeakPolarHBondContact O-CG1 3.19Å; L138-I142 PolarHBondContact O-N 2.79Å; L138-A154 HydrophobicContact CD2-CB 4.1Å; L138-I157 HydrophobicContact CD1-CB 4.32Å; L138-I157 HydrophobicContact CD1-CG2 3.68Å; L138-I157 HydrophobicContact CD2-CB 4.22Å; L138-I157 HydrophobicContact CD2-CG2 4.05Å; L138-M158 HydrophobicContact CB-CE 3.52Å; L138-M158 HydrophobicContact CD1-CE 4.24Å; L138-M158 HydrophobicContact CD1-SD 4.44Å; L138-M161 HydrophobicContact CD1-SD 3.53Å; L138-M161 VanDerWaalsContact CD1-SD 3.53Å
139T88.7Confident83Confident21 Ų2154 Ų5413%0.12928%0.283CS..Hα-helixtrans-60.6-37.5175.8500000111.6T135 G136 A143 M158 I176 C179T135-T139 HydrophobicContact CG2-CG2 4.41Å; T135-T139 WeakPolarHBondContact O-CG2 3.27Å; T135-T139 PolarHBondContact O-N 3.43Å; T135-T139 PolarHBondContact O-OG1 2.74Å; T135-T139 VanDerWaalsContact O-OG1 3.1Å; G136-T139 WeakPolarHBondContact CA-OG1 3.31Å; G136-T139 PolarHBondContact O-OG1 3.3Å; T139-A143 WeakPolarHBondContact O-CB 3.31Å; T139-A143 PolarHBondContact O-N 3.08Å; T139-A143 VanDerWaalsContact O-N 3.14Å; T139-M158 HydrophobicContact CG2-CE 3.83Å; T139-I176 HydrophobicContact CG2-CG1 4.33Å; T139-C179 HydrophobicContact CG2-CB 4.34Å; T139-C179 PolarHBondContact O-SG 2.88Å; T139-C179 VanDerWaalsContact O-SG 3.37Å
140S86.5Confident83.1Confident59 Ų5951 Ų5141%0.41327%0.267SS..Hα-helixtrans-68.6-39.9174.9-175.20000112.5G136 R137 L138 A143 K144G136-S140 WeakPolarHBondContact O-CB 3.43Å; G136-S140 PolarHBondContact O-N 2.89Å; R137-S140 PolarHBondContact O-N 2.81Å; L138-S140 PolarHBondContact O-N 3.21Å; S140-A143 PolarHBondContact O-N 3.42Å; S140-K144 WeakPolarHBondContact O-CG 3.38Å; S140-K144 PolarHBondContact O-N 3.32Å
141A86.2Confident83.4Confident3 Ų351 Ų513%0.02527%0.268CS..Hα-helixtrans-65.7-40.1177.400000112.3M95 L96 R137 L138 A143 K144 V150 A154M95-A141 HydrophobicContact CE-CB 4Å; L96-A141 HydrophobicContact CD2-CB 4.13Å; R137-A141 WeakPolarHBondContact O-CB 3.47Å; R137-A141 PolarHBondContact O-N 3.25Å; L138-A141 PolarHBondContact O-N 2.73Å; L138-A141 VanDerWaalsContact O-N 3.14Å; A141-A143 VanDerWaalsContact C-N 3.34Å; A141-K144 PolarHBondContact O-N 3.5Å; A141-V150 HydrophobicContact CB-CG1 4.15Å; A141-A154 HydrophobicContact CB-CB 3.83Å
142I88.7Confident83.6Confident0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-67.2-36.6177.2-65.7164.2000111.2L138 Q151 A154 L155 M158 C179 Q183L138-I142 VanDerWaalsContact O-CG1 3.25Å; L138-I142 WeakPolarHBondContact O-CG1 3.19Å; L138-I142 PolarHBondContact O-N 2.79Å; I142-Q151 PolarHBondContact O-NE2 3.42Å; I142-A154 HydrophobicContact CG1-CB 3.77Å; I142-L155 HydrophobicContact CD1-CD2 4Å; I142-L155 HydrophobicContact CD1-CG 4.44Å; I142-L155 HydrophobicContact CG1-CD2 4.17Å; I142-L155 HydrophobicContact CG1-CG 4.19Å; I142-L155 HydrophobicContact CG2-CD2 4.03Å; I142-L155 HydrophobicContact CG2-CG 4.47Å; I142-M158 HydrophobicContact CD1-CB 4.18Å; I142-M158 HydrophobicContact CD1-CE 3.84Å; I142-M158 HydrophobicContact CD1-CG 4.41Å; I142-C179 VanDerWaalsContact CG2-SG 3.56Å; I142-Q183 HydrophobicContact CG2-CG 3.84Å; I142-Q183 PolarHBondContact O-NE2 3.07Å
143A84.4Confident83.8Confident61 Ų6147.5 Ų47.550%0.50425%0.254SS..Hα-helixtrans-72-28.4179.200000113.5T139 S140 A141 Q145T139-A143 WeakPolarHBondContact O-CB 3.31Å; T139-A143 PolarHBondContact O-N 3.08Å; T139-A143 VanDerWaalsContact O-N 3.14Å; S140-A143 PolarHBondContact O-N 3.42Å; A141-A143 VanDerWaalsContact C-N 3.34Å; A143-Q145 PolarHBondContact O-N 2.93Å
144K75.5Confident84.3Confident130 Ų13043.9 Ų43.957%0.56524%0.238SC*.  trans-76.9105.2175.9-74.3-178179.6-173.60110S140 A141 E146S140-K144 WeakPolarHBondContact O-CG 3.38Å; S140-K144 PolarHBondContact O-N 3.32Å; A141-K144 PolarHBondContact O-N 3.5Å; K144-E146 VanDerWaalsContact C-N 3.29Å; K144-E146 PolarHBondContact O-N 2.92Å
145Q69.5Low84.5Confident133 Ų13343.8 Ų43.862%0.62124%0.238SC*.  trans-80.9-1.3-176.4-65.2-178.3-7.800114.7A143A143-Q145 PolarHBondContact O-N 2.93Å
146E72.1Confident84.6Confident192 Ų19245.2 Ų45.290%0.89725%0.245SC*.SBendtrans-74.3-41.4-171.8-65.8177.9176.100113.2K144K144-E146 VanDerWaalsContact C-N 3.29Å; K144-E146 PolarHBondContact O-N 2.92Å
147D78.2Confident84.9Confident62 Ų6243.3 Ų43.333%0.33223%0.226SC..  trans-113.198.7177.7-171.6-15.8000110.7R103 S149 V150 Q151R103-D147 IonicContact CZ-OD2 3.73Å; R103-D147 IonicContact NH1-OD1 3.3Å; R103-D147 IonicContact NH1-OD2 3.48Å; R103-D147 PolarHBondContact NH1-OD2 3.32Å; D147-S149 VanDerWaalsContact C-N 3.26Å; D147-S149 PolarHBondContact O-N 3.41Å; D147-S149 VanDerWaalsContact OD1-CB 3.28Å; D147-S149 WeakPolarHBondContact OD1-CB 3.44Å; D147-S149 PolarHBondContact OD1-N 2.88Å; D147-V150 HydrophobicContact CB-CB 4.21Å; D147-V150 HydrophobicContact CB-CG2 4.03Å; D147-V150 PolarHBondContact O-N 2.93Å; D147-V150 PolarHBondContact OD1-N 3.45Å; D147-V150 VanDerWaalsContact OD2-CG2 3.28Å; D147-V150 WeakPolarHBondContact OD2-CG2 3.48Å; D147-Q151 PolarHBondContact O-N 3.38Å
148V84.6Confident85.2Confident14 Ų1439.4 Ų39.49%0.08521%0.211CC..Hα-helixtrans-66.7-28.8-179.6174.30000112.3V150 Q151 L152 V191V148-V150 VanDerWaalsContact C-N 3.33Å; V148-V150 PolarHBondContact O-N 2.96Å; V148-Q151 WeakPolarHBondContact O-CB 3.24Å; V148-Q151 PolarHBondContact O-N 2.95Å; V148-L152 HydrophobicContact CG1-CD1 3.96Å; V148-L152 HydrophobicContact CG1-CD2 4.41Å; V148-L152 HydrophobicContact CG1-CG 3.9Å; V148-L152 VanDerWaalsContact O-CG 3.24Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; V148-L152 PolarHBondContact O-N 3.34Å; V148-V191 HydrophobicContact CG1-CG2 4.03Å
149S83.4Confident85.3Confident41 Ų4139.6 Ų39.629%0.28721%0.213SC..Hα-helixtrans-62.2-46.4177.9-162.40000110.3R103 D147 Q151 L152 E153R103-S149 PolarHBondContact NH2-OG 2.88Å; D147-S149 VanDerWaalsContact C-N 3.26Å; D147-S149 PolarHBondContact O-N 3.41Å; D147-S149 VanDerWaalsContact OD1-CB 3.28Å; D147-S149 WeakPolarHBondContact OD1-CB 3.44Å; D147-S149 PolarHBondContact OD1-N 2.88Å; S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.4Å; S149-L152 PolarHBondContact O-N 3.48Å; S149-E153 PolarHBondContact O-N 3.04Å
150V84.8Confident85.3Confident11 Ų1140.9 Ų40.97%0.06722%0.219CC..Hα-helixtrans-61.3-42.1173.7175.40000110.9L96 R103 A141 D147 V148 L152 E153 A154L96-V150 HydrophobicContact CD2-CG1 3.64Å; R103-V150 VanDerWaalsContact CD-CG2 3.4Å; R103-V150 HydrophobicContact CG-CG2 4.43Å; A141-V150 HydrophobicContact CB-CG1 4.15Å; D147-V150 HydrophobicContact CB-CB 4.21Å; D147-V150 HydrophobicContact CB-CG2 4.03Å; D147-V150 PolarHBondContact O-N 2.93Å; D147-V150 PolarHBondContact OD1-N 3.45Å; D147-V150 VanDerWaalsContact OD2-CG2 3.28Å; D147-V150 WeakPolarHBondContact OD2-CG2 3.48Å; V148-V150 VanDerWaalsContact C-N 3.33Å; V148-V150 PolarHBondContact O-N 2.96Å; V150-L152 PolarHBondContact O-N 3.15Å; V150-E153 PolarHBondContact O-N 3.12Å; V150-A154 VanDerWaalsContact O-CB 3.29Å; V150-A154 WeakPolarHBondContact O-CB 3.29Å; V150-A154 PolarHBondContact O-N 3.42Å
151Q88.5Confident85.4Confident3 Ų338.1 Ų38.11%0.01420%0.199CC..Hα-helixtrans-61.2-44.5179.6-165.6-176.544.700112.5I142 D147 V148 S149 A154 L155 V191I142-Q151 PolarHBondContact O-NE2 3.42Å; D147-Q151 PolarHBondContact O-N 3.38Å; V148-Q151 WeakPolarHBondContact O-CB 3.24Å; V148-Q151 PolarHBondContact O-N 2.95Å; S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.4Å; Q151-A154 PolarHBondContact O-N 2.83Å; Q151-L155 HydrophobicContact CG-CD1 4.46Å; Q151-L155 WeakPolarHBondContact O-CG 3.49Å; Q151-L155 PolarHBondContact O-N 3.1Å; Q151-V191 VanDerWaalsContact OE1-CG2 3.3Å
152L89Confident85.5Confident29 Ų2938.2 Ų38.215%0.15220%0.199CC..Hα-helixtrans-65.1-43.9179.3-65.3173.8000111.2V148 S149 V150 L155 D156 A190 V191V148-L152 HydrophobicContact CG1-CD1 3.96Å; V148-L152 HydrophobicContact CG1-CD2 4.41Å; V148-L152 HydrophobicContact CG1-CG 3.9Å; V148-L152 VanDerWaalsContact O-CG 3.24Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; V148-L152 PolarHBondContact O-N 3.34Å; S149-L152 PolarHBondContact O-N 3.48Å; V150-L152 PolarHBondContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 3.06Å; L152-D156 PolarHBondContact O-N 3.46Å; L152-A190 HydrophobicContact CD1-CB 4.39Å; L152-A190 HydrophobicContact CD2-CB 3.93Å; L152-V191 HydrophobicContact CD2-CB 4.26Å; L152-V191 HydrophobicContact CD2-CG2 3.61Å; L152-V191 HydrophobicContact CG-CG2 4.5Å
153E86.6Confident85.4Confident35 Ų3540.5 Ų40.516%0.16422%0.215CC..Hα-helixtrans-64.5-42.8176.3-70.1-57.7152.900112S107 K111 S149 V150 L155 D156 I157S107-E153 WeakPolarHBondContact CB-OE2 3.28Å; K111-E153 IonicContact NZ-OE2 3.84Å; K111-E153 PolarHBondContact NZ-OE2 3.45Å; S149-E153 PolarHBondContact O-N 3.04Å; V150-E153 PolarHBondContact O-N 3.12Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.35Å; E153-D156 PolarHBondContact O-N 2.99Å; E153-I157 WeakPolarHBondContact O-CB 3.25Å; E153-I157 WeakPolarHBondContact O-CD1 3.35Å; E153-I157 VanDerWaalsContact O-CG1 3.24Å; E153-I157 WeakPolarHBondContact O-CG1 3.43Å; E153-I157 PolarHBondContact O-N 3.37Å
154A89.9Confident85.3Confident0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-63.3-36.7177.500000112.2M95 L138 A141 I142 V150 Q151 M158M95-A154 HydrophobicContact CE-CB 4.45Å; L138-A154 HydrophobicContact CD2-CB 4.1Å; A141-A154 HydrophobicContact CB-CB 3.83Å; I142-A154 HydrophobicContact CG1-CB 3.77Å; V150-A154 VanDerWaalsContact O-CB 3.29Å; V150-A154 WeakPolarHBondContact O-CB 3.29Å; V150-A154 PolarHBondContact O-N 3.42Å; Q151-A154 PolarHBondContact O-N 2.83Å; A154-M158 VanDerWaalsContact O-CB 3.3Å; A154-M158 WeakPolarHBondContact O-CB 3.28Å; A154-M158 PolarHBondContact O-N 2.88Å
155L91.9Very high85.6Confident0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-66.3-44.5173.8-77.7169.2000112.3I142 Q151 L152 E153 M158 A159 L180 V191 R194I142-L155 HydrophobicContact CD1-CD2 4Å; I142-L155 HydrophobicContact CD1-CG 4.44Å; I142-L155 HydrophobicContact CG1-CD2 4.17Å; I142-L155 HydrophobicContact CG1-CG 4.19Å; I142-L155 HydrophobicContact CG2-CD2 4.03Å; I142-L155 HydrophobicContact CG2-CG 4.47Å; Q151-L155 HydrophobicContact CG-CD1 4.46Å; Q151-L155 WeakPolarHBondContact O-CG 3.49Å; Q151-L155 PolarHBondContact O-N 3.1Å; L152-L155 PolarHBondContact O-N 3.06Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.35Å; L155-M158 PolarHBondContact O-N 2.93Å; L155-A159 WeakPolarHBondContact O-CB 3.33Å; L155-A159 PolarHBondContact O-N 3.2Å; L155-L180 HydrophobicContact CD2-CD2 3.52Å; L155-V191 HydrophobicContact CD1-CB 4.5Å; L155-V191 HydrophobicContact CD1-CG1 3.75Å; L155-R194 HydrophobicContact CB-CB 3.87Å; L155-R194 HydrophobicContact CD1-CB 4.11Å
156D90Very high86.1Confident32 Ų3229.9 Ų29.917%0.17116%0.155CC..Hα-helixtrans-63.2-44.1177.8-72.1-21.6000111K111 L152 E153 M158 A159 D160 R194K111-D156 VanDerWaalsContact NZ-CB 3.27Å; K111-D156 IonicContact NZ-OD2 3.79Å; K111-D156 PolarHBondContact NZ-OD2 3.3Å; L152-D156 PolarHBondContact O-N 3.46Å; E153-D156 PolarHBondContact O-N 2.99Å; D156-M158 PolarHBondContact O-N 3.35Å; D156-A159 PolarHBondContact O-N 3.13Å; D156-D160 PolarHBondContact O-N 2.67Å; D156-R194 VanDerWaalsContact CG-NE 3.28Å; D156-R194 WeakPolarHBondContact OD1-CD 3.42Å; D156-R194 VanDerWaalsContact OD1-CG 3.24Å; D156-R194 WeakPolarHBondContact OD1-CG 3.46Å; D156-R194 IonicContact OD1-NE 2.87Å; D156-R194 PolarHBondContact OD1-NE 3.15Å; D156-R194 IonicContact OD2-CZ 2.66Å; D156-R194 IonicContact OD2-NE 3.87Å; D156-R194 PolarHBondContact OD2-NE 3.46Å; D156-R194 IonicContact OD2-NH2 2.87Å; D156-R194 PolarHBondContact OD2-NH2 3.37Å
157I89.8Confident86.3Confident0 Ų023 Ų230%014%0.135CC..Hα-helixtrans-63.3-42.2176.7-65.8161.9000111M95 L110 K111 I114 L138 E153 A159 D160 M161M95-I157 HydrophobicContact SD-CD1 3.72Å; L110-I157 HydrophobicContact CB-CD1 4.38Å; L110-I157 HydrophobicContact CD2-CD1 3.81Å; L110-I157 HydrophobicContact CD2-CG2 4.21Å; L110-I157 HydrophobicContact CG-CD1 4.33Å; L110-I157 HydrophobicContact CG-CG2 4.37Å; K111-I157 HydrophobicContact CD-CG1 4.45Å; K111-I157 HydrophobicContact CG-CG1 3.76Å; I114-I157 HydrophobicContact CD1-CG2 3.45Å; I114-I157 VanDerWaalsContact CD1-CG2 3.45Å; L138-I157 HydrophobicContact CD1-CB 4.32Å; L138-I157 HydrophobicContact CD1-CG2 3.68Å; L138-I157 HydrophobicContact CD2-CB 4.22Å; L138-I157 HydrophobicContact CD2-CG2 4.05Å; E153-I157 WeakPolarHBondContact O-CB 3.25Å; E153-I157 WeakPolarHBondContact O-CD1 3.35Å; E153-I157 VanDerWaalsContact O-CG1 3.24Å; E153-I157 WeakPolarHBondContact O-CG1 3.43Å; E153-I157 PolarHBondContact O-N 3.37Å; I157-A159 VanDerWaalsContact C-N 3.35Å; I157-D160 PolarHBondContact O-N 3.1Å; I157-M161 HydrophobicContact CG2-SD 4.28Å; I157-M161 WeakPolarHBondContact O-CB 3.16Å; I157-M161 WeakPolarHBondContact O-CG 3.32Å; I157-M161 PolarHBondContact O-N 3.15Å
158M92.2Very high86.4Confident1 Ų122.6 Ų22.61%0.00513%0.133CC..Hα-helixtrans-62.6-42.1176-172.17276.800111.5L138 T139 I142 A154 L155 D156 M161 L162 I176L138-M158 HydrophobicContact CB-CE 3.52Å; L138-M158 HydrophobicContact CD1-CE 4.24Å; L138-M158 HydrophobicContact CD1-SD 4.44Å; T139-M158 HydrophobicContact CG2-CE 3.83Å; I142-M158 HydrophobicContact CD1-CB 4.18Å; I142-M158 HydrophobicContact CD1-CE 3.84Å; I142-M158 HydrophobicContact CD1-CG 4.41Å; A154-M158 VanDerWaalsContact O-CB 3.3Å; A154-M158 WeakPolarHBondContact O-CB 3.28Å; A154-M158 PolarHBondContact O-N 2.88Å; L155-M158 PolarHBondContact O-N 2.93Å; D156-M158 PolarHBondContact O-N 3.35Å; M158-M161 PolarHBondContact O-N 3.02Å; M158-L162 HydrophobicContact CG-CD1 4.11Å; M158-L162 WeakPolarHBondContact O-CB 3.35Å; M158-L162 VanDerWaalsContact O-CG 3.32Å; M158-L162 WeakPolarHBondContact O-CG 3.28Å; M158-L162 PolarHBondContact O-N 3.06Å; M158-I176 HydrophobicContact CE-CG1 4.44Å; M158-I176 HydrophobicContact CG-CG2 4.47Å; M158-I176 HydrophobicContact SD-CD1 4.12Å; M158-I176 HydrophobicContact SD-CG1 4.21Å; M158-I176 HydrophobicContact SD-CG2 4.34Å
159A90.9Very high86.4Confident4 Ų422 Ų223%0.03313%0.129CC..Hα-helixtrans-62.6-43.9177.100000111.8L155 D156 I157 L162 S163 I197 A198 H201L155-A159 WeakPolarHBondContact O-CB 3.33Å; L155-A159 PolarHBondContact O-N 3.2Å; D156-A159 PolarHBondContact O-N 3.13Å; I157-A159 VanDerWaalsContact C-N 3.35Å; A159-L162 PolarHBondContact O-N 2.91Å; A159-S163 WeakPolarHBondContact O-CB 3.43Å; A159-S163 PolarHBondContact O-N 3.34Å; A159-I197 HydrophobicContact CB-CG2 4.03Å; A159-A198 HydrophobicContact CB-CB 4.05Å; A159-H201 PolarHBondContact O-ND1 3.04Å
160D87.8Confident86.4Confident49 Ų4923.5 Ų23.526%0.26214%0.136SC..Hα-helixtrans-61.2-43.6174.8-82.3-2.1000111.5D156 I157 S163 R164D156-D160 PolarHBondContact O-N 2.67Å; I157-D160 PolarHBondContact O-N 3.1Å; D160-S163 PolarHBondContact O-N 3.37Å; D160-S163 PolarHBondContact O-OG 2.72Å; D160-R164 PolarHBondContact O-N 3.37Å; D160-R164 IonicContact OD2-NH2 3.76Å
161M89Confident86.4Confident1 Ų130 Ų301%0.00517%0.171CC..Hα-helixtrans-63.2-43.1177-76.1-179.662.400112.6I114 C131 I134 L138 I157 M158 S163 Q165 G166 L169I114-M161 HydrophobicContact CD1-CG 3.84Å; I114-M161 HydrophobicContact CD1-SD 4.05Å; I114-M161 HydrophobicContact CG1-CG 4.47Å; I114-M161 HydrophobicContact CG2-CG 3.91Å; C131-M161 HydrophobicContact CB-CE 4.07Å; I134-M161 HydrophobicContact CB-CE 4.32Å; I134-M161 HydrophobicContact CB-SD 4.33Å; I134-M161 HydrophobicContact CG2-CE 4.28Å; I134-M161 HydrophobicContact CG2-SD 3.7Å; L138-M161 HydrophobicContact CD1-SD 3.53Å; L138-M161 VanDerWaalsContact CD1-SD 3.53Å; I157-M161 HydrophobicContact CG2-SD 4.28Å; I157-M161 WeakPolarHBondContact O-CB 3.16Å; I157-M161 WeakPolarHBondContact O-CG 3.32Å; I157-M161 PolarHBondContact O-N 3.15Å; M158-M161 PolarHBondContact O-N 3.02Å; M161-S163 VanDerWaalsContact C-N 3.34Å; M161-Q165 CarbonylContact O-C 3.41Å; M161-Q165 VanDerWaalsContact O-CA 3.31Å; M161-Q165 WeakPolarHBondContact O-CA 3.38Å; M161-Q165 PolarHBondContact O-N 2.89Å; M161-Q165 PolarHBondContact O-OE1 2.91Å; M161-G166 PolarHBondContact O-N 3.46Å; M161-L169 HydrophobicContact CB-CD1 4.32Å; M161-L169 HydrophobicContact CE-CD1 4.24Å; M161-L169 HydrophobicContact CE-CD2 4.4Å
162L89Confident86.3Confident4 Ų432.7 Ų32.72%0.02118%0.182CC..Hα-helixtrans-66-38177.8-72.6167.8000111.7M158 A159 G166 L169 I176 A198 H201 L202M158-L162 HydrophobicContact CG-CD1 4.11Å; M158-L162 WeakPolarHBondContact O-CB 3.35Å; M158-L162 VanDerWaalsContact O-CG 3.32Å; M158-L162 WeakPolarHBondContact O-CG 3.28Å; M158-L162 PolarHBondContact O-N 3.06Å; A159-L162 PolarHBondContact O-N 2.91Å; L162-G166 VanDerWaalsContact O-CA 3.28Å; L162-G166 WeakPolarHBondContact O-CA 3.34Å; L162-G166 PolarHBondContact O-N 3.39Å; L162-G166 VanDerWaalsContact O-N 3.17Å; L162-L169 HydrophobicContact CD2-CD1 4.13Å; L162-I176 HydrophobicContact CD1-CG2 4.27Å; L162-I176 HydrophobicContact CD2-CD1 4.29Å; L162-A198 HydrophobicContact CD1-CB 4.38Å; L162-A198 WeakPolarHBondContact CD1-O 3.28Å; L162-H201 HydrophobicContact CB-CB 3.68Å; L162-L202 HydrophobicContact CD1-CB 4.09Å; L162-L202 HydrophobicContact CD2-CB 4.48Å; L162-L202 HydrophobicContact CD2-CD1 3.75Å
163S86.6Confident86.4Confident48 Ų4831.4 Ų31.434%0.33618%0.175SC..Hα-helixtrans-65.6-38179.674.10000113.3A159 D160 M161A159-S163 WeakPolarHBondContact O-CB 3.43Å; A159-S163 PolarHBondContact O-N 3.34Å; D160-S163 PolarHBondContact O-N 3.37Å; D160-S163 PolarHBondContact O-OG 2.72Å; M161-S163 VanDerWaalsContact C-N 3.34Å
164R81.2Confident86.6Confident97 Ų9732.9 Ų32.937%0.36619%0.188SC..Hα-helixtrans-101.4-37.4-173.7-71.2-172.6-76.6-136.20.2114D160D160-R164 PolarHBondContact O-N 3.37Å; D160-R164 IonicContact OD2-NH2 3.76Å
165Q82Confident86.7Confident0 Ų036 Ų360%021%0.21CC..Hα-helixtrans-12115.3-172.9-5995.217.700113.3I114 M161 G167 L168I114-Q165 PolarHBondContact O-NE2 3.28Å; M161-Q165 CarbonylContact O-C 3.41Å; M161-Q165 VanDerWaalsContact O-CA 3.31Å; M161-Q165 WeakPolarHBondContact O-CA 3.38Å; M161-Q165 PolarHBondContact O-N 2.89Å; M161-Q165 PolarHBondContact O-OE1 2.91Å; Q165-G167 PolarHBondContact O-N 3.08Å; Q165-G167 VanDerWaalsContact O-N 3.07Å; Q165-L168 HydrophobicContact CB-CD1 4.34Å; Q165-L168 WeakPolarHBondContact O-CB 3.23Å; Q165-L168 PolarHBondContact O-N 3.46Å
166G79.5Confident86.7Confident5 Ų536 Ų365%0.05221%0.21CC..G310 helixtrans-50.2-38.7-175.900000114.5M161 L162 L168 L169 H173 S205M161-G166 PolarHBondContact O-N 3.46Å; L162-G166 VanDerWaalsContact O-CA 3.28Å; L162-G166 WeakPolarHBondContact O-CA 3.34Å; L162-G166 PolarHBondContact O-N 3.39Å; L162-G166 VanDerWaalsContact O-N 3.17Å; G166-L168 VanDerWaalsContact C-N 3.31Å; G166-L168 PolarHBondContact O-N 3.44Å; G166-L169 PolarHBondContact O-N 2.94Å; G166-L169 VanDerWaalsContact O-N 3.07Å; G166-H173 PolarHBondContact O-CE1 3.38Å; G166-H173 PolarHBondContact O-NE2 3.08Å; G166-S205 VanDerWaalsContact C-OG 3.26Å; G166-S205 VanDerWaalsContact CA-OG 3.32Å; G166-S205 WeakPolarHBondContact CA-OG 3.42Å; G166-S205 PolarHBondContact O-OG 3.35Å
167G77.3Confident86.9Confident47 Ų4734.8 Ų34.849%0.48520%0.203SC..G310 helixtrans-64.7-25176.700000115.3Q165 L169 V170Q165-G167 PolarHBondContact O-N 3.08Å; Q165-G167 VanDerWaalsContact O-N 3.07Å; G167-L169 VanDerWaalsContact C-N 3.32Å; G167-V170 VanDerWaalsContact O-CG2 3.27Å; G167-V170 WeakPolarHBondContact O-CG2 3.39Å
168L80.9Confident87Confident54 Ų5439.7 Ų39.728%0.28323%0.233SC..G310 helixtrans-80.3-17.2174.2-62.9177000112.3A120 A127 A128 Q165 G166A120-L168 HydrophobicContact CB-CD1 4.33Å; A120-L168 HydrophobicContact CB-CG 3.91Å; A127-L168 HydrophobicContact CB-CD1 3.87Å; A128-L168 HydrophobicContact CB-CD2 4.45Å; Q165-L168 HydrophobicContact CB-CD1 4.34Å; Q165-L168 WeakPolarHBondContact O-CB 3.23Å; Q165-L168 PolarHBondContact O-N 3.46Å; G166-L168 VanDerWaalsContact C-N 3.31Å; G166-L168 PolarHBondContact O-N 3.44Å
169L83.7Confident87Confident1 Ų140.5 Ų40.51%0.00524%0.239CC..G310 helixtrans-96.29.9-174.7-64.6176.3000113.6C131 T135 M161 L162 G166 G167 N171 F172 H173 I176C131-L169 HydrophobicContact CB-CD2 3.86Å; T135-L169 VanDerWaalsContact OG1-CD2 3.27Å; T135-L169 WeakPolarHBondContact OG1-CD2 3.42Å; M161-L169 HydrophobicContact CB-CD1 4.32Å; M161-L169 HydrophobicContact CE-CD1 4.24Å; M161-L169 HydrophobicContact CE-CD2 4.4Å; L162-L169 HydrophobicContact CD2-CD1 4.13Å; G166-L169 PolarHBondContact O-N 2.94Å; G166-L169 VanDerWaalsContact O-N 3.07Å; G167-L169 VanDerWaalsContact C-N 3.32Å; L169-N171 VanDerWaalsContact C-N 3.25Å; L169-N171 PolarHBondContact O-N 3.49Å; L169-N171 VanDerWaalsContact O-N 3.13Å; L169-F172 HydrophobicContact CD2-CD2 4.23Å; L169-F172 CarbonylContact O-C 3.56Å; L169-F172 WeakPolarHBondContact O-CA 3.44Å; L169-F172 WeakPolarHBondContact O-CB 3.44Å; L169-F172 PolarHBondContact O-N 3.08Å; L169-H173 VanDerWaalsContact C-CD2 3.5Å; L169-H173 PolarHBondContact O-CD2 3.45Å; L169-H173 PolarHBondContact O-N 2.99Å; L169-H173 PolarHBondContact O-NE2 3.48Å; L169-I176 HydrophobicContact CB-CD1 4.49Å; L169-I176 HydrophobicContact CD1-CD1 4.42Å
170V82.7Confident87.2Confident72 Ų7240.4 Ų40.444%0.43624%0.238SC..G310 helixtrans-51.2-42.3-174.5172.90000113G167 F172 H173G167-V170 VanDerWaalsContact O-CG2 3.27Å; G167-V170 WeakPolarHBondContact O-CG2 3.39Å; V170-F172 PolarHBondContact O-N 2.88Å; V170-H173 PolarHBondContact O-N 2.77Å
171N84.8Confident87.4Confident149 Ų14939.4 Ų39.480%0.79723%0.232SC*.G310 helixtrans-69.4-19.5178.3-65.7-34.4000113.8L169L169-N171 VanDerWaalsContact C-N 3.25Å; L169-N171 PolarHBondContact O-N 3.49Å; L169-N171 VanDerWaalsContact O-N 3.13Å
172F88.3Confident87.6Confident59 Ų5942.5 Ų42.526%0.25925%0.253SS..G310 helixtrans-98.7-15-179.9-65.4-79.4000113.1K132 T135 L169 V170 P174 S175 I176K132-F172 HydrophobicContact CB-CE2 4.36Å; K132-F172 HydrophobicContact CB-CZ 4.49Å; K132-F172 HydrophobicContact CG-CE2 4.11Å; K132-F172 HydrophobicContact CG-CZ 3.83Å; T135-F172 HydrophobicContact CG2-CB 3.88Å; T135-F172 HydrophobicContact CG2-CD1 3.95Å; T135-F172 HydrophobicContact CG2-CG 3.91Å; L169-F172 HydrophobicContact CD2-CD2 4.23Å; L169-F172 CarbonylContact O-C 3.56Å; L169-F172 WeakPolarHBondContact O-CA 3.44Å; L169-F172 WeakPolarHBondContact O-CB 3.44Å; L169-F172 PolarHBondContact O-N 3.08Å; V170-F172 PolarHBondContact O-N 2.88Å; F172-P174 VanDerWaalsContact C-CD 3.46Å; F172-P174 VanDerWaalsContact C-N 3.34Å; F172-S175 WeakPolarHBondContact O-CA 3.45Å; F172-S175 WeakPolarHBondContact O-CB 3.3Å; F172-S175 PolarHBondContact O-N 3.49Å; F172-I176 HydrophobicContact CB-CD1 3.95Å; F172-I176 HydrophobicContact CB-CG1 4.35Å; F172-I176 WeakPolarHBondContact O-CG1 3.46Å; F172-I176 PolarHBondContact O-N 2.68Å
173H90.4Very high87.7Confident1 Ų142.6 Ų42.61%0.00525%0.253CS..Hα-helixtrans-50.9-42.5-178.5-66.4168.2000114.1G166 L169 V170 S175 I176 L177 L202 S205 C206 V210G166-H173 PolarHBondContact O-CE1 3.38Å; G166-H173 PolarHBondContact O-NE2 3.08Å; L169-H173 VanDerWaalsContact C-CD2 3.5Å; L169-H173 PolarHBondContact O-CD2 3.45Å; L169-H173 PolarHBondContact O-N 2.99Å; L169-H173 PolarHBondContact O-NE2 3.48Å; V170-H173 PolarHBondContact O-N 2.77Å; H173-S175 VanDerWaalsContact C-N 3.34Å; H173-S175 PolarHBondContact O-N 2.96Å; H173-I176 PolarHBondContact O-N 3.24Å; H173-L177 WeakPolarHBondContact O-CB 3.36Å; H173-L177 PolarHBondContact O-N 2.92Å; H173-L202 HydrophobicContact CB-CD1 4.02Å; H173-S205 PolarHBondContact CE1-O 3.46Å; H173-S205 PolarHBondContact CE1-OG 3.47Å; H173-S205 PolarHBondContact NE2-OG 2.92Å; H173-C206 VanDerWaalsContact ND1-CA 3.35Å; H173-C206 WeakPolarHBondContact ND1-CA 3.49Å; H173-V210 HydrophobicContact CB-CG1 4.33Å; H173-V210 HydrophobicContact CB-CG2 4.22Å
174P91.3Very high88Confident67 Ų6740.3 Ų40.344%0.43524%0.237SC..Hα-helixtrans-62-39.9176.4-2334.4000113.1F172 T178 V210F172-P174 VanDerWaalsContact C-CD 3.46Å; F172-P174 VanDerWaalsContact C-N 3.34Å; P174-T178 WeakPolarHBondContact O-CB 3.35Å; P174-T178 PolarHBondContact O-N 3.42Å; P174-T178 PolarHBondContact O-OG1 2.95Å; P174-V210 HydrophobicContact CG-CG2 4.03Å
175S91.3Very high88.4Confident64 Ų6439.4 Ų39.445%0.44824%0.243SC..Hα-helixtrans-70.2-38.8177.6-174.60000111.6F172 H173 C179F172-S175 WeakPolarHBondContact O-CA 3.45Å; F172-S175 WeakPolarHBondContact O-CB 3.3Å; F172-S175 PolarHBondContact O-N 3.49Å; H173-S175 VanDerWaalsContact C-N 3.34Å; H173-S175 PolarHBondContact O-N 2.96Å; S175-C179 WeakPolarHBondContact O-CB 3.36Å; S175-C179 PolarHBondContact O-N 3.5Å; S175-C179 VanDerWaalsContact O-N 3.08Å
176I92.7Very high88.8Confident1 Ų140.1 Ų40.11%0.00525%0.248CC..Hα-helixtrans-65.1-46.1176.4-67.2168000109.5T135 T139 M158 L162 L169 F172 H173 T178 C179 L180T135-I176 HydrophobicContact CG2-CD1 4.04Å; T135-I176 HydrophobicContact CG2-CG1 4.14Å; T139-I176 HydrophobicContact CG2-CG1 4.33Å; M158-I176 HydrophobicContact CE-CG1 4.44Å; M158-I176 HydrophobicContact CG-CG2 4.47Å; M158-I176 HydrophobicContact SD-CD1 4.12Å; M158-I176 HydrophobicContact SD-CG1 4.21Å; M158-I176 HydrophobicContact SD-CG2 4.34Å; L162-I176 HydrophobicContact CD1-CG2 4.27Å; L162-I176 HydrophobicContact CD2-CD1 4.29Å; L169-I176 HydrophobicContact CB-CD1 4.49Å; L169-I176 HydrophobicContact CD1-CD1 4.42Å; F172-I176 HydrophobicContact CB-CD1 3.95Å; F172-I176 HydrophobicContact CB-CG1 4.35Å; F172-I176 WeakPolarHBondContact O-CG1 3.46Å; F172-I176 PolarHBondContact O-N 2.68Å; H173-I176 PolarHBondContact O-N 3.24Å; I176-T178 PolarHBondContact O-N 3.24Å; I176-C179 WeakPolarHBondContact O-CB 3.43Å; I176-C179 PolarHBondContact O-N 3Å; I176-C179 VanDerWaalsContact O-N 3.16Å; I176-L180 HydrophobicContact CG2-CD1 3.7Å; I176-L180 HydrophobicContact CG2-CG 4.21Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 3.21Å
177L93.7Very high89.2Confident7 Ų745.8 Ų45.84%0.03728%0.283CS..Hα-helixtrans-58-51.3176.7-179.764000111.1H173 C179 L180 L181 L199 L202 V210 D213 L214H173-L177 WeakPolarHBondContact O-CB 3.36Å; H173-L177 PolarHBondContact O-N 2.92Å; L177-C179 PolarHBondContact O-N 3.47Å; L177-C179 VanDerWaalsContact O-N 3.16Å; L177-L180 PolarHBondContact O-N 3.02Å; L177-L181 HydrophobicContact CD1-CD1 4.15Å; L177-L181 HydrophobicContact CD1-CD2 3.87Å; L177-L181 HydrophobicContact CD1-CG 3.83Å; L177-L181 HydrophobicContact CG-CD1 4.04Å; L177-L181 HydrophobicContact CG-CG 4.13Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 2.92Å; L177-L199 HydrophobicContact CD1-CD2 3.92Å; L177-L202 HydrophobicContact CB-CD2 4.23Å; L177-L202 HydrophobicContact CD1-CD2 4.25Å; L177-V210 HydrophobicContact CB-CG1 4.1Å; L177-V210 HydrophobicContact CD2-CG1 3.7Å; L177-V210 WeakPolarHBondContact CD2-O 3.48Å; L177-V210 HydrophobicContact CG-CG1 4.4Å; L177-D213 HydrophobicContact CD2-CB 3.92Å; L177-L214 HydrophobicContact CD1-CB 3.98Å; L177-L214 HydrophobicContact CD1-CD1 3.97Å; L177-L214 HydrophobicContact CD1-CG 4.39Å; L177-L214 HydrophobicContact CD2-CB 4.44Å
178T92.2Very high89.7Confident102 Ų10250.3 Ų50.363%0.62629%0.286SS*.Hα-helixtrans-57.3-32.6178.4-55.10000112.4P174 I176 P182P174-T178 WeakPolarHBondContact O-CB 3.35Å; P174-T178 PolarHBondContact O-N 3.42Å; P174-T178 PolarHBondContact O-OG1 2.95Å; I176-T178 PolarHBondContact O-N 3.24Å; T178-P182 WeakPolarHBondContact O-CD 3.49Å
179C92.2Very high90.1Very high19 Ų1951.4 Ų51.413%0.12829%0.291CS..Hα-helixtrans-76.2-35.7176.9-174.70000113.3T139 I142 S175 I176 L177T139-C179 HydrophobicContact CG2-CB 4.34Å; T139-C179 PolarHBondContact O-SG 2.88Å; T139-C179 VanDerWaalsContact O-SG 3.37Å; I142-C179 VanDerWaalsContact CG2-SG 3.56Å; S175-C179 WeakPolarHBondContact O-CB 3.36Å; S175-C179 PolarHBondContact O-N 3.5Å; S175-C179 VanDerWaalsContact O-N 3.08Å; I176-C179 WeakPolarHBondContact O-CB 3.43Å; I176-C179 PolarHBondContact O-N 3Å; I176-C179 VanDerWaalsContact O-N 3.16Å; L177-C179 PolarHBondContact O-N 3.47Å; L177-C179 VanDerWaalsContact O-N 3.16Å
180L93.8Very high90.4Very high1 Ų153.2 Ų53.21%0.00531%0.307CS..Hα-helixtrans-82.7-36.7-175-70.7177000112.9L155 I176 L177 Q183 T195 A198 L199L155-L180 HydrophobicContact CD2-CD2 3.52Å; I176-L180 HydrophobicContact CG2-CD1 3.7Å; I176-L180 HydrophobicContact CG2-CG 4.21Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 3.02Å; L180-Q183 WeakPolarHBondContact O-CB 3.22Å; L180-Q183 PolarHBondContact O-N 2.89Å; L180-T195 HydrophobicContact CB-CG2 4.16Å; L180-T195 HydrophobicContact CD2-CG2 4.29Å; L180-T195 VanDerWaalsContact O-CG2 3.3Å; L180-T195 WeakPolarHBondContact O-CG2 3.3Å; L180-A198 HydrophobicContact CD1-CB 3.91Å; L180-A198 HydrophobicContact CD2-CB 4.14Å; L180-L199 HydrophobicContact CB-CD2 3.92Å; L180-L199 HydrophobicContact CB-CG 4.27Å; L180-L199 HydrophobicContact CD1-CD2 3.85Å; L180-L199 HydrophobicContact CD1-CG 4.15Å
181L93.2Very high90.8Very high28 Ų2849.8 Ų49.815%0.14729%0.286CS..G310 helixtrans-53.9-47.5-176.8-69.9179.3000113.4L177 Q183 L184 L214 H217L177-L181 HydrophobicContact CD1-CD1 4.15Å; L177-L181 HydrophobicContact CD1-CD2 3.87Å; L177-L181 HydrophobicContact CD1-CG 3.83Å; L177-L181 HydrophobicContact CG-CD1 4.04Å; L177-L181 HydrophobicContact CG-CG 4.13Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 2.92Å; L181-Q183 PolarHBondContact O-N 3.46Å; L181-Q183 VanDerWaalsContact O-N 3.1Å; L181-L184 HydrophobicContact CD2-CD1 4.36Å; L181-L184 WeakPolarHBondContact O-CB 3.24Å; L181-L184 PolarHBondContact O-N 3.21Å; L181-L184 VanDerWaalsContact O-N 3.17Å; L181-L214 HydrophobicContact CD2-CD1 3.72Å; L181-H217 HydrophobicContact CD1-CB 4.45Å
182P91.7Very high91.3Very high67 Ų6743.7 Ų43.744%0.43525%0.252SS..G310 helixtrans-63.6-18.8178.6-21.934.5000114.1T178 L184 T185T178-P182 WeakPolarHBondContact O-CD 3.49Å; P182-L184 VanDerWaalsContact C-N 3.33Å; P182-T185 PolarHBondContact O-OG1 3.11Å; P182-T185 VanDerWaalsContact O-OG1 3.1Å
183Q92.8Very high91.5Very high6 Ų645.5 Ų45.53%0.02826%0.26CS..G310 helixtrans-80.8-15.4-178.6-51.9-54.3-32.800112.6I142 L180 L181 T185 S186 V191 T195I142-Q183 HydrophobicContact CG2-CG 3.84Å; I142-Q183 PolarHBondContact O-NE2 3.07Å; L180-Q183 WeakPolarHBondContact O-CB 3.22Å; L180-Q183 PolarHBondContact O-N 2.89Å; L181-Q183 PolarHBondContact O-N 3.46Å; L181-Q183 VanDerWaalsContact O-N 3.1Å; Q183-T185 PolarHBondContact O-N 3.01Å; Q183-S186 VanDerWaalsContact O-CB 3.23Å; Q183-S186 WeakPolarHBondContact O-CB 3.23Å; Q183-S186 PolarHBondContact O-N 2.89Å; Q183-S186 VanDerWaalsContact O-N 3.16Å; Q183-V191 HydrophobicContact CB-CG1 4.16Å; Q183-T195 HydrophobicContact CB-CG2 3.97Å; Q183-T195 VanDerWaalsContact CB-OG1 3.27Å; Q183-T195 WeakPolarHBondContact CB-OG1 3.37Å
184L91.9Very high91.6Very high0 Ų048.7 Ų48.70%027%0.272CS..G310 helixtrans-65.9-22.3173.5-68.1176.5000112.7L181 P182 R192 T195 I196 L199 L218 T233 Y234L181-L184 HydrophobicContact CD2-CD1 4.36Å; L181-L184 WeakPolarHBondContact O-CB 3.24Å; L181-L184 PolarHBondContact O-N 3.21Å; L181-L184 VanDerWaalsContact O-N 3.17Å; P182-L184 VanDerWaalsContact C-N 3.33Å; L184-R192 WeakPolarHBondContact O-CD 3.42Å; L184-R192 WeakPolarHBondContact O-CG 3.35Å; L184-T195 HydrophobicContact CD2-CG2 3.74Å; L184-T195 HydrophobicContact CG-CG2 4.03Å; L184-I196 HydrophobicContact CD2-CG1 4.03Å; L184-L199 HydrophobicContact CD1-CD1 3.84Å; L184-L199 HydrophobicContact CD2-CD1 3.94Å; L184-L199 HydrophobicContact CG-CD1 4.11Å; L184-L218 HydrophobicContact CD1-CD2 4.02Å; L184-T233 HydrophobicContact CD2-CG2 4.16Å; L184-Y234 HydrophobicContact CB-CE1 4.05Å; L184-Y234 HydrophobicContact CD1-CD1 4.37Å; L184-Y234 HydrophobicContact CD1-CE1 4.19Å
185T90.7Very high91.8Very high78 Ų7845.5 Ų45.548%0.47925%0.251SS..G310 helixtrans-10211.4175.857.50000113P182 Q183 T230 Y234P182-T185 PolarHBondContact O-OG1 3.11Å; P182-T185 VanDerWaalsContact O-OG1 3.1Å; Q183-T185 PolarHBondContact O-N 3.01Å; T185-T230 HydrophobicContact CG2-CG2 4.25Å; T185-Y234 VanDerWaalsContact CG2-OH 3.31Å; T185-Y234 WeakPolarHBondContact CG2-OH 3.45Å
186S89.8Confident92Very high15 Ų1543.1 Ų43.111%0.10523%0.233CC..  trans-58.7138.7177.9177.40000111.5Q183 R188 R192Q183-S186 VanDerWaalsContact O-CB 3.23Å; Q183-S186 WeakPolarHBondContact O-CB 3.23Å; Q183-S186 PolarHBondContact O-N 2.89Å; Q183-S186 VanDerWaalsContact O-N 3.16Å; S186-R188 PolarHBondContact O-N 2.83Å; S186-R188 VanDerWaalsContact O-N 3.1Å; S186-R188 PolarHBondContact OG-N 3.4Å; S186-R192 WeakPolarHBondContact O-CD 3.49Å; S186-R192 PolarHBondContact O-NE 3.36Å; S186-R192 VanDerWaalsContact O-NE 3.11Å
187P86.7Confident92Very high123 Ų12347 Ų4780%0.79925%0.253SS*.SBendtrans-61.3-22.217824.7-34.4000112.6
188R89.2Confident92Very high142 Ų14246.6 Ų46.654%0.53625%0.251SS..  trans-95.4119.1-178.6-65.3-173.1-176.3-161.713.1111.4S186 A190 V191 R192S186-R188 PolarHBondContact O-N 2.83Å; S186-R188 VanDerWaalsContact O-N 3.1Å; S186-R188 PolarHBondContact OG-N 3.4Å; R188-A190 PolarHBondContact O-N 3.49Å; R188-V191 HydrophobicContact CB-CB 4.45Å; R188-V191 HydrophobicContact CB-CG2 3.89Å; R188-V191 WeakPolarHBondContact O-CB 3.47Å; R188-V191 PolarHBondContact O-N 3.14Å; R188-V191 VanDerWaalsContact O-N 3.09Å; R188-R192 PolarHBondContact O-N 2.88Å
189L88.2Confident92.2Very high77 Ų7741.8 Ų41.840%0.40322%0.221SC..Hα-helixtrans-57.7-35.1178.3-174.466.2000113V191 R192 K193L189-V191 VanDerWaalsContact C-N 3.29Å; L189-V191 PolarHBondContact O-N 3.44Å; L189-R192 PolarHBondContact O-N 3.49Å; L189-K193 HydrophobicContact CG-CD 4.41Å; L189-K193 HydrophobicContact CG-CG 4.45Å; L189-K193 PolarHBondContact O-N 3.2Å
190A90.1Very high92.1Very high40 Ų4041 Ų4133%0.33122%0.216SC..Hα-helixtrans-61.8-34.9177.900000113.1L152 R188 R194L152-A190 HydrophobicContact CD1-CB 4.39Å; L152-A190 HydrophobicContact CD2-CB 3.93Å; R188-A190 PolarHBondContact O-N 3.49Å; A190-R194 WeakPolarHBondContact O-CG 3.25Å; A190-R194 PolarHBondContact O-N 3.28Å
191V92.3Very high92Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-69.1-51175.4177.90000108.8V148 Q151 L152 L155 Q183 R188 L189 K193 R194 T195V148-V191 HydrophobicContact CG1-CG2 4.03Å; Q151-V191 VanDerWaalsContact OE1-CG2 3.3Å; L152-V191 HydrophobicContact CD2-CB 4.26Å; L152-V191 HydrophobicContact CD2-CG2 3.61Å; L152-V191 HydrophobicContact CG-CG2 4.5Å; L155-V191 HydrophobicContact CD1-CB 4.5Å; L155-V191 HydrophobicContact CD1-CG1 3.75Å; Q183-V191 HydrophobicContact CB-CG1 4.16Å; R188-V191 HydrophobicContact CB-CB 4.45Å; R188-V191 HydrophobicContact CB-CG2 3.89Å; R188-V191 WeakPolarHBondContact O-CB 3.47Å; R188-V191 PolarHBondContact O-N 3.14Å; R188-V191 VanDerWaalsContact O-N 3.09Å; L189-V191 VanDerWaalsContact C-N 3.29Å; L189-V191 PolarHBondContact O-N 3.44Å; V191-K193 PolarHBondContact O-N 2.86Å; V191-R194 PolarHBondContact O-N 3.1Å; V191-T195 PolarHBondContact O-N 3.49Å; V191-T195 PolarHBondContact O-OG1 3.01Å; V191-T195 VanDerWaalsContact O-OG1 3.04Å
192R93.7Very high91.9Very high20 Ų2041.1 Ų41.18%0.07522%0.216CC..Hα-helixtrans-54.5-47.1179-67.4-172.9-82.3163.9-11.4112.9L184 S186 R188 L189 R194 T195 I196 S229 T233L184-R192 WeakPolarHBondContact O-CD 3.42Å; L184-R192 WeakPolarHBondContact O-CG 3.35Å; S186-R192 WeakPolarHBondContact O-CD 3.49Å; S186-R192 PolarHBondContact O-NE 3.36Å; S186-R192 VanDerWaalsContact O-NE 3.11Å; R188-R192 PolarHBondContact O-N 2.88Å; L189-R192 PolarHBondContact O-N 3.49Å; R192-R194 PolarHBondContact O-N 2.66Å; R192-T195 WeakPolarHBondContact O-CB 3.25Å; R192-T195 PolarHBondContact O-N 3.21Å; R192-I196 WeakPolarHBondContact O-CG1 3.27Å; R192-I196 PolarHBondContact O-N 3.27Å; R192-S229 PolarHBondContact NH1-O 2.85Å; R192-S229 PolarHBondContact NH1-OG 3.05Å; R192-S229 PolarHBondContact NH2-OG 3.37Å; R192-T233 HydrophobicContact CB-CG2 3.92Å; R192-T233 HydrophobicContact CG-CG2 4.25Å; R192-T233 PolarHBondContact NH1-OG1 3.05Å
193K92.7Very high91.8Very high98 Ų9838 Ų3843%0.42620%0.195SC..Hα-helixtrans-60.2-44.8178.4-75.7-175.8176-177.10112.5L189 V191 I196 I197L189-K193 HydrophobicContact CG-CD 4.41Å; L189-K193 HydrophobicContact CG-CG 4.45Å; L189-K193 PolarHBondContact O-N 3.2Å; V191-K193 PolarHBondContact O-N 2.86Å; K193-I196 PolarHBondContact O-N 3.37Å; K193-I197 WeakPolarHBondContact O-CG1 3.21Å; K193-I197 PolarHBondContact O-N 3.43Å
194R93.4Very high91.3Very high68 Ų6840.2 Ų40.226%0.25721%0.206SC..Hα-helixtrans-69.4-36178.2-69.5173.4163.3104.1-12.8112.4L155 D156 A190 V191 R192 I197 A198L155-R194 HydrophobicContact CB-CB 3.87Å; L155-R194 HydrophobicContact CD1-CB 4.11Å; D156-R194 VanDerWaalsContact CG-NE 3.28Å; D156-R194 WeakPolarHBondContact OD1-CD 3.42Å; D156-R194 VanDerWaalsContact OD1-CG 3.24Å; D156-R194 WeakPolarHBondContact OD1-CG 3.46Å; D156-R194 IonicContact OD1-NE 2.87Å; D156-R194 PolarHBondContact OD1-NE 3.15Å; D156-R194 IonicContact OD2-CZ 2.66Å; D156-R194 IonicContact OD2-NE 3.87Å; D156-R194 PolarHBondContact OD2-NE 3.46Å; D156-R194 IonicContact OD2-NH2 2.87Å; D156-R194 PolarHBondContact OD2-NH2 3.37Å; A190-R194 WeakPolarHBondContact O-CG 3.25Å; A190-R194 PolarHBondContact O-N 3.28Å; V191-R194 PolarHBondContact O-N 3.1Å; R192-R194 PolarHBondContact O-N 2.66Å; R194-I197 PolarHBondContact O-N 3.46Å; R194-A198 PolarHBondContact O-N 3.44Å
195T95.4Very high90.9Very high0 Ų041.7 Ų41.70%022%0.217CC..Hα-helixtrans-60.4-43.3171.2-59.90000112L180 Q183 L184 V191 R192 I197 A198 L199L180-T195 HydrophobicContact CB-CG2 4.16Å; L180-T195 HydrophobicContact CD2-CG2 4.29Å; L180-T195 VanDerWaalsContact O-CG2 3.3Å; L180-T195 WeakPolarHBondContact O-CG2 3.3Å; Q183-T195 HydrophobicContact CB-CG2 3.97Å; Q183-T195 VanDerWaalsContact CB-OG1 3.27Å; Q183-T195 WeakPolarHBondContact CB-OG1 3.37Å; L184-T195 HydrophobicContact CD2-CG2 3.74Å; L184-T195 HydrophobicContact CG-CG2 4.03Å; V191-T195 PolarHBondContact O-N 3.49Å; V191-T195 PolarHBondContact O-OG1 3.01Å; V191-T195 VanDerWaalsContact O-OG1 3.04Å; R192-T195 WeakPolarHBondContact O-CB 3.25Å; R192-T195 PolarHBondContact O-N 3.21Å; T195-I197 VanDerWaalsContact C-N 3.32Å; T195-I197 PolarHBondContact O-N 2.77Å; T195-A198 PolarHBondContact O-N 3.49Å; T195-L199 HydrophobicContact CG2-CD1 4.07Å; T195-L199 HydrophobicContact CG2-CG 4.44Å; T195-L199 WeakPolarHBondContact O-CG 3.49Å; T195-L199 PolarHBondContact O-N 3.3Å
196I95.3Very high90.6Very high13 Ų1338.3 Ų38.37%0.06720%0.196CC..Hα-helixtrans-59.4-43.7175.9-71.3164.1000111L184 R192 K193 L199 G200 T233 Q236 C237 A240L184-I196 HydrophobicContact CD2-CG1 4.03Å; R192-I196 WeakPolarHBondContact O-CG1 3.27Å; R192-I196 PolarHBondContact O-N 3.27Å; K193-I196 PolarHBondContact O-N 3.37Å; I196-L199 PolarHBondContact O-N 3.37Å; I196-G200 PolarHBondContact O-N 2.88Å; I196-T233 HydrophobicContact CD1-CG2 3.84Å; I196-T233 HydrophobicContact CG1-CG2 4.44Å; I196-Q236 HydrophobicContact CD1-CB 3.78Å; I196-C237 HydrophobicContact CG1-CB 4Å; I196-A240 HydrophobicContact CG2-CB 3.48Å; I196-A240 VanDerWaalsContact CG2-CB 3.48Å
197I93.7Very high90.2Very high82 Ų8239.5 Ų39.542%0.42121%0.211SC..Hα-helixtrans-61.3-47.4177.1-63.1167.5000110.2A159 K193 R194 T195 L199 G200 H201A159-I197 HydrophobicContact CB-CG2 4.03Å; K193-I197 WeakPolarHBondContact O-CG1 3.21Å; K193-I197 PolarHBondContact O-N 3.43Å; R194-I197 PolarHBondContact O-N 3.46Å; T195-I197 VanDerWaalsContact C-N 3.32Å; T195-I197 PolarHBondContact O-N 2.77Å; I197-L199 PolarHBondContact O-N 3.2Å; I197-G200 PolarHBondContact O-N 3.13Å; I197-H201 PolarHBondContact O-N 3.02Å
198A94Very high90.1Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-60.5-44.3177.900000112.5A159 L162 L180 R194 T195 G200 H201 L202A159-A198 HydrophobicContact CB-CB 4.05Å; L162-A198 HydrophobicContact CD1-CB 4.38Å; L162-A198 WeakPolarHBondContact CD1-O 3.28Å; L180-A198 HydrophobicContact CD1-CB 3.91Å; L180-A198 HydrophobicContact CD2-CB 4.14Å; R194-A198 PolarHBondContact O-N 3.44Å; T195-A198 PolarHBondContact O-N 3.49Å; A198-G200 VanDerWaalsContact C-N 3.35Å; A198-H201 PolarHBondContact O-N 3.18Å; A198-L202 WeakPolarHBondContact O-CB 3.32Å; A198-L202 PolarHBondContact O-N 3.3Å
199L94.8Very high90Very high0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-64.3-39.3175.3-72.7171.9000112L177 L180 L184 T195 I196 I197 H201 L202 V203 L214L177-L199 HydrophobicContact CD1-CD2 3.92Å; L180-L199 HydrophobicContact CB-CD2 3.92Å; L180-L199 HydrophobicContact CB-CG 4.27Å; L180-L199 HydrophobicContact CD1-CD2 3.85Å; L180-L199 HydrophobicContact CD1-CG 4.15Å; L184-L199 HydrophobicContact CD1-CD1 3.84Å; L184-L199 HydrophobicContact CD2-CD1 3.94Å; L184-L199 HydrophobicContact CG-CD1 4.11Å; T195-L199 HydrophobicContact CG2-CD1 4.07Å; T195-L199 HydrophobicContact CG2-CG 4.44Å; T195-L199 WeakPolarHBondContact O-CG 3.49Å; T195-L199 PolarHBondContact O-N 3.3Å; I196-L199 PolarHBondContact O-N 3.37Å; I197-L199 PolarHBondContact O-N 3.2Å; L199-H201 VanDerWaalsContact C-N 3.31Å; L199-H201 PolarHBondContact O-N 3.44Å; L199-L202 HydrophobicContact CD2-CD2 4.22Å; L199-L202 WeakPolarHBondContact O-CB 3.31Å; L199-L202 PolarHBondContact O-N 3.02Å; L199-V203 PolarHBondContact O-N 2.98Å; L199-L214 HydrophobicContact CD1-CD1 4.24Å; L199-L214 HydrophobicContact CD2-CD1 4.04Å; L199-L214 HydrophobicContact CD2-CD2 4.27Å
200G90.5Very high90.1Very high2 Ų235.9 Ų35.92%0.02120%0.195CC..Hα-helixtrans-58.7-40.3172.900000112.6I196 I197 A198 V203 Q244I196-G200 PolarHBondContact O-N 2.88Å; I197-G200 PolarHBondContact O-N 3.13Å; A198-G200 VanDerWaalsContact C-N 3.35Å; G200-V203 WeakPolarHBondContact O-CG2 3.21Å; G200-Q244 VanDerWaalsContact O-CB 3.26Å; G200-Q244 WeakPolarHBondContact O-CB 3.34Å; G200-Q244 WeakPolarHBondContact O-CG 3.33Å
201H91.3Very high90.1Very high32 Ų3234.1 Ų34.115%0.14818%0.18CC..Hα-helixtrans-76.1-30.6175-62.8162.7000113A159 L162 I197 A198 L199 V203 M204A159-H201 PolarHBondContact O-ND1 3.04Å; L162-H201 HydrophobicContact CB-CB 3.68Å; I197-H201 PolarHBondContact O-N 3.02Å; A198-H201 PolarHBondContact O-N 3.18Å; L199-H201 VanDerWaalsContact C-N 3.31Å; L199-H201 PolarHBondContact O-N 3.44Å; H201-V203 PolarHBondContact O-N 3.28Å; H201-M204 WeakPolarHBondContact O-CB 3.45Å; H201-M204 PolarHBondContact O-N 3.02Å
202L91.4Very high90.1Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-60.3-45.5176.6-178.862.6000111.7L162 H173 L177 A198 L199 M204 S205 C206 V210L162-L202 HydrophobicContact CD1-CB 4.09Å; L162-L202 HydrophobicContact CD2-CB 4.48Å; L162-L202 HydrophobicContact CD2-CD1 3.75Å; H173-L202 HydrophobicContact CB-CD1 4.02Å; L177-L202 HydrophobicContact CB-CD2 4.23Å; L177-L202 HydrophobicContact CD1-CD2 4.25Å; A198-L202 WeakPolarHBondContact O-CB 3.32Å; A198-L202 PolarHBondContact O-N 3.3Å; L199-L202 HydrophobicContact CD2-CD2 4.22Å; L199-L202 WeakPolarHBondContact O-CB 3.31Å; L199-L202 PolarHBondContact O-N 3.02Å; L202-M204 PolarHBondContact O-N 3.01Å; L202-M204 VanDerWaalsContact O-N 3.1Å; L202-S205 PolarHBondContact O-N 3.34Å; L202-S205 VanDerWaalsContact O-N 3.08Å; L202-C206 HydrophobicContact CD1-CB 4.21Å; L202-C206 HydrophobicContact CG-CB 4.18Å; L202-C206 WeakPolarHBondContact O-CB 3.41Å; L202-C206 PolarHBondContact O-N 2.75Å; L202-V210 HydrophobicContact CD2-CG1 4.39Å
203V89Confident90Very high1 Ų139 Ų391%0.00621%0.208CC..THydrogen-bonded Turntrans-64.5-17-176-64.70000114.1L199 G200 H201 S205 F211 L214 I241 Q244 A245 R248L199-V203 PolarHBondContact O-N 2.98Å; G200-V203 WeakPolarHBondContact O-CG2 3.21Å; H201-V203 PolarHBondContact O-N 3.28Å; V203-S205 VanDerWaalsContact C-N 3.27Å; V203-S205 PolarHBondContact O-N 3.24Å; V203-F211 HydrophobicContact CB-CD2 4.08Å; V203-F211 HydrophobicContact CB-CE2 4.14Å; V203-F211 HydrophobicContact CG1-CD2 3.86Å; V203-F211 HydrophobicContact CG1-CE2 4.03Å; V203-L214 HydrophobicContact CG1-CD2 3.59Å; V203-I241 HydrophobicContact CB-CG2 4.48Å; V203-I241 HydrophobicContact CG1-CG1 4.14Å; V203-I241 HydrophobicContact CG1-CG2 4.14Å; V203-I241 HydrophobicContact CG2-CG1 4.42Å; V203-I241 HydrophobicContact CG2-CG2 4.18Å; V203-Q244 HydrophobicContact CG2-CB 4.14Å; V203-A245 HydrophobicContact CB-CB 4.05Å; V203-A245 HydrophobicContact CG2-CB 3.77Å; V203-R248 PolarHBondContact O-NH1 3.29Å
204M83.5Confident90.1Very high53 Ų5334.3 Ų34.326%0.26119%0.188SC..THydrogen-bonded Turntrans-68.5-24.7175.4-61.217762.700112.9H201 L202 Q244 K1191H201-M204 WeakPolarHBondContact O-CB 3.45Å; H201-M204 PolarHBondContact O-N 3.02Å; L202-M204 PolarHBondContact O-N 3.01Å; L202-M204 VanDerWaalsContact O-N 3.1Å; M204-Q244 HydrophobicContact CG-CB 3.89Å; M204-Q244 HydrophobicContact SD-CB 4.4Å; M204-K1191 HydrophobicContact CE-CB 4.32Å
205S82.3Confident90.1Very high32 Ų3231.2 Ų31.222%0.22418%0.177CC..THydrogen-bonded Turntrans-130.7-8.8-173.859.90000114.6G166 H173 L202 V203G166-S205 VanDerWaalsContact C-OG 3.26Å; G166-S205 VanDerWaalsContact CA-OG 3.32Å; G166-S205 WeakPolarHBondContact CA-OG 3.42Å; G166-S205 PolarHBondContact O-OG 3.35Å; H173-S205 PolarHBondContact CE1-O 3.46Å; H173-S205 PolarHBondContact CE1-OG 3.47Å; H173-S205 PolarHBondContact NE2-OG 2.92Å; L202-S205 PolarHBondContact O-N 3.34Å; L202-S205 VanDerWaalsContact O-N 3.08Å; V203-S205 VanDerWaalsContact C-N 3.27Å; V203-S205 PolarHBondContact O-N 3.24Å
206C84.9Confident89.9Confident7 Ų736.9 Ų36.95%0.04720%0.203CC..  trans-75.5144.3-175.378.60000113.6H173 L202 V210 R248H173-C206 VanDerWaalsContact ND1-CA 3.35Å; H173-C206 WeakPolarHBondContact ND1-CA 3.49Å; L202-C206 HydrophobicContact CD1-CB 4.21Å; L202-C206 HydrophobicContact CG-CB 4.18Å; L202-C206 WeakPolarHBondContact O-CB 3.41Å; L202-C206 PolarHBondContact O-N 2.75Å; C206-V210 HydrophobicContact CB-CB 4.05Å; C206-V210 HydrophobicContact CB-CG1 3.94Å; C206-R248 PolarHBondContact O-NH1 3.39Å; C206-R248 PolarHBondContact O-NH2 3.45Å; C206-R248 VanDerWaalsContact O-NH2 3.07Å; C206-R248 PolarHBondContact SG-NH1 3.19Å; C206-R248 VanDerWaalsContact SG-NH1 3.45Å
207G82.3Confident89.8Confident39 Ų3938.9 Ų38.940%0.40221%0.212SC..  trans-61.6166.6172.300000112.8I209 V210 F211 R248G207-I209 VanDerWaalsContact C-N 3.33Å; G207-I209 PolarHBondContact O-N 2.99Å; G207-V210 PolarHBondContact O-N 3.12Å; G207-F211 PolarHBondContact O-N 3.31Å; G207-F211 VanDerWaalsContact O-N 3.16Å; G207-R248 PolarHBondContact O-NH2 3.2Å
208N83.9Confident89.8Confident120 Ų12035 Ų3564%0.64219%0.192SC*.Hα-helixtrans-61.5-37-176.6-78.7-11.9000113.6V210 F211 V212 R248N208-V210 PolarHBondContact O-N 2.81Å; N208-F211 PolarHBondContact O-N 2.93Å; N208-V212 WeakPolarHBondContact O-CB 3.48Å; N208-V212 WeakPolarHBondContact O-CG2 3.34Å; N208-V212 PolarHBondContact O-N 3.07Å; N208-R248 PolarHBondContact OD1-NH2 2.79Å
209I88.2Confident89.7Confident133 Ų13336.1 Ų36.168%0.68220%0.198SC*.Hα-helixtrans-58.8-52.9179.2-59.8171.4000110.6G207 F211 V212 D213G207-I209 VanDerWaalsContact C-N 3.33Å; G207-I209 PolarHBondContact O-N 2.99Å; I209-F211 VanDerWaalsContact C-N 3.27Å; I209-F211 PolarHBondContact O-N 3.44Å; I209-V212 PolarHBondContact O-N 3.29Å; I209-D213 PolarHBondContact O-N 3.45Å
210V90Very high89.5Confident13 Ų1339 Ų398%0.07922%0.218CC..Hα-helixtrans-61.4-36.6179.4-178.90000111.7H173 P174 L177 L202 C206 G207 N208 L214H173-V210 HydrophobicContact CB-CG1 4.33Å; H173-V210 HydrophobicContact CB-CG2 4.22Å; P174-V210 HydrophobicContact CG-CG2 4.03Å; L177-V210 HydrophobicContact CB-CG1 4.1Å; L177-V210 HydrophobicContact CD2-CG1 3.7Å; L177-V210 WeakPolarHBondContact CD2-O 3.48Å; L177-V210 HydrophobicContact CG-CG1 4.4Å; L202-V210 HydrophobicContact CD2-CG1 4.39Å; C206-V210 HydrophobicContact CB-CB 4.05Å; C206-V210 HydrophobicContact CB-CG1 3.94Å; G207-V210 PolarHBondContact O-N 3.12Å; N208-V210 PolarHBondContact O-N 2.81Å; V210-L214 WeakPolarHBondContact O-CB 3.39Å; V210-L214 PolarHBondContact O-N 3.4Å; V210-L214 VanDerWaalsContact O-N 3.13Å
211F90.1Very high89.5Confident4 Ų440.2 Ų40.22%0.01822%0.223CC..Hα-helixtrans-67.9-46.1177.5-176.5-91.9000112.1V203 G207 N208 I209 L214 I215 I241 A245 R248 Y252V203-F211 HydrophobicContact CB-CD2 4.08Å; V203-F211 HydrophobicContact CB-CE2 4.14Å; V203-F211 HydrophobicContact CG1-CD2 3.86Å; V203-F211 HydrophobicContact CG1-CE2 4.03Å; G207-F211 PolarHBondContact O-N 3.31Å; G207-F211 VanDerWaalsContact O-N 3.16Å; N208-F211 PolarHBondContact O-N 2.93Å; I209-F211 VanDerWaalsContact C-N 3.27Å; I209-F211 PolarHBondContact O-N 3.44Å; F211-L214 PolarHBondContact O-N 2.93Å; F211-I215 HydrophobicContact CD1-CG1 4.08Å; F211-I215 HydrophobicContact CE1-CD1 4.42Å; F211-I215 HydrophobicContact CE1-CG1 3.66Å; F211-I215 HydrophobicContact CE2-CG1 4.41Å; F211-I215 HydrophobicContact CZ-CD1 4.12Å; F211-I215 HydrophobicContact CZ-CG1 3.84Å; F211-I215 WeakPolarHBondContact O-CG1 3.24Å; F211-I215 PolarHBondContact O-N 3.17Å; F211-I241 HydrophobicContact CE2-CG2 4.05Å; F211-I241 HydrophobicContact CZ-CG2 4.44Å; F211-A245 HydrophobicContact CE2-CB 4.35Å; F211-R248 HydrophobicContact CD1-CB 4.39Å; F211-R248 HydrophobicContact CD2-CB 4.43Å; F211-R248 HydrophobicContact CE1-CB 3.7Å; F211-R248 HydrophobicContact CE2-CB 3.75Å; F211-R248 VanDerWaalsContact CG-CZ 3.49Å; F211-R248 HydrophobicContact CZ-CB 3.34Å; F211-Y252 HydrophobicContact CE1-CD2 4.36Å; F211-Y252 AromaticContact CE1-CE2 3.91Å; F211-Y252 HydrophobicContact CE1-CE2 3.91Å
212V91.6Very high89.4Confident39 Ų3938.7 Ų38.724%0.23622%0.216CC..Hα-helixtrans-60.2-47.7176.61740000109.9N208 I209 L214 I215 E216N208-V212 WeakPolarHBondContact O-CB 3.48Å; N208-V212 WeakPolarHBondContact O-CG2 3.34Å; N208-V212 PolarHBondContact O-N 3.07Å; I209-V212 PolarHBondContact O-N 3.29Å; V212-L214 VanDerWaalsContact C-N 3.29Å; V212-L214 PolarHBondContact O-N 3.1Å; V212-I215 PolarHBondContact O-N 3.19Å; V212-I215 VanDerWaalsContact O-N 3.16Å; V212-E216 HydrophobicContact CG1-CG 4.05Å; V212-E216 WeakPolarHBondContact O-CB 3.3Å; V212-E216 WeakPolarHBondContact O-CG 3.39Å; V212-E216 PolarHBondContact O-N 3.1Å
213D92.4Very high89.2Confident82 Ų8242.3 Ų42.344%0.43924%0.242SC..Hα-helixtrans-56.1-42.9178.3-68.1-14.4000111.9L177 I209 H217L177-D213 HydrophobicContact CD2-CB 3.92Å; I209-D213 PolarHBondContact O-N 3.45Å; D213-H217 VanDerWaalsContact O-CB 3.27Å; D213-H217 WeakPolarHBondContact O-CB 2.9Å; D213-H217 PolarHBondContact O-N 3.17Å
214L94.1Very high89Confident1 Ų147.7 Ų47.71%0.00527%0.265CS..Hα-helixtrans-65-48.5176.4173.959.6000112L177 L181 L199 V203 V210 F211 V212 H217 L218 I241L177-L214 HydrophobicContact CD1-CB 3.98Å; L177-L214 HydrophobicContact CD1-CD1 3.97Å; L177-L214 HydrophobicContact CD1-CG 4.39Å; L177-L214 HydrophobicContact CD2-CB 4.44Å; L181-L214 HydrophobicContact CD2-CD1 3.72Å; L199-L214 HydrophobicContact CD1-CD1 4.24Å; L199-L214 HydrophobicContact CD2-CD1 4.04Å; L199-L214 HydrophobicContact CD2-CD2 4.27Å; V203-L214 HydrophobicContact CG1-CD2 3.59Å; V210-L214 WeakPolarHBondContact O-CB 3.39Å; V210-L214 PolarHBondContact O-N 3.4Å; V210-L214 VanDerWaalsContact O-N 3.13Å; F211-L214 PolarHBondContact O-N 2.93Å; V212-L214 VanDerWaalsContact C-N 3.29Å; V212-L214 PolarHBondContact O-N 3.1Å; L214-H217 PolarHBondContact O-N 2.67Å; L214-L218 HydrophobicContact CD1-CD1 3.96Å; L214-L218 HydrophobicContact CD1-CG 4.13Å; L214-L218 HydrophobicContact CG-CD1 4.15Å; L214-L218 VanDerWaalsContact O-CG 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.22Å; L214-L218 PolarHBondContact O-N 3.39Å; L214-I241 HydrophobicContact CD2-CD1 3.76Å; L214-I241 HydrophobicContact CD2-CG1 4.46Å; L214-I241 HydrophobicContact CG-CD1 4.12Å
215I93.1Very high88.9Confident2 Ų248.3 Ų48.31%0.0127%0.269CS..Hα-helixtrans-66.5-42.8-177.8-67.6-62.8000111.2F211 V212 H217 L218 L219 I241 I249 Y252F211-I215 HydrophobicContact CD1-CG1 4.08Å; F211-I215 HydrophobicContact CE1-CD1 4.42Å; F211-I215 HydrophobicContact CE1-CG1 3.66Å; F211-I215 HydrophobicContact CE2-CG1 4.41Å; F211-I215 HydrophobicContact CZ-CD1 4.12Å; F211-I215 HydrophobicContact CZ-CG1 3.84Å; F211-I215 WeakPolarHBondContact O-CG1 3.24Å; F211-I215 PolarHBondContact O-N 3.17Å; V212-I215 PolarHBondContact O-N 3.19Å; V212-I215 VanDerWaalsContact O-N 3.16Å; I215-H217 VanDerWaalsContact C-N 3.34Å; I215-H217 PolarHBondContact O-N 3.24Å; I215-L218 PolarHBondContact O-N 3.03Å; I215-L219 HydrophobicContact CG2-CD1 3.87Å; I215-L219 HydrophobicContact CG2-CG 4.32Å; I215-L219 WeakPolarHBondContact O-CB 3.18Å; I215-L219 WeakPolarHBondContact O-CG 3.27Å; I215-L219 PolarHBondContact O-N 2.92Å; I215-I241 HydrophobicContact CD1-CD1 4.29Å; I215-I241 HydrophobicContact CD1-CG2 4.27Å; I215-I249 HydrophobicContact CD1-CD1 4.42Å; I215-I249 HydrophobicContact CD1-CG1 4.35Å; I215-Y252 HydrophobicContact CG2-CD1 3.57Å; I215-Y252 HydrophobicContact CG2-CD2 4.29Å; I215-Y252 HydrophobicContact CG2-CE1 3.9Å; I215-Y252 HydrophobicContact CG2-CG 3.79Å
216E92.6Very high88.7Confident120 Ų12052.6 Ų52.656%0.56129%0.29SS*.Hα-helixtrans-63.8-40.3176.7-72.4-170.5167.100111.7V212 L219 S220V212-E216 HydrophobicContact CG1-CG 4.05Å; V212-E216 WeakPolarHBondContact O-CB 3.3Å; V212-E216 WeakPolarHBondContact O-CG 3.39Å; V212-E216 PolarHBondContact O-N 3.1Å; E216-L219 PolarHBondContact O-N 3.18Å; E216-S220 WeakPolarHBondContact O-CB 3.21Å; E216-S220 PolarHBondContact O-N 2.91Å
217H92.7Very high88.7Confident54 Ų5454.5 Ų54.525%0.2530%0.303CS..Hα-helixtrans-59.9-50.6172.7-177.980.2000111.4L181 D213 L214 I215 L219 S220 E221L181-H217 HydrophobicContact CD1-CB 4.45Å; D213-H217 VanDerWaalsContact O-CB 3.27Å; D213-H217 WeakPolarHBondContact O-CB 2.9Å; D213-H217 PolarHBondContact O-N 3.17Å; L214-H217 PolarHBondContact O-N 2.67Å; I215-H217 VanDerWaalsContact C-N 3.34Å; I215-H217 PolarHBondContact O-N 3.24Å; H217-L219 PolarHBondContact O-N 3.14Å; H217-S220 PolarHBondContact O-N 3.09Å; H217-E221 WeakPolarHBondContact O-CG 3.21Å; H217-E221 PolarHBondContact O-N 2.91Å
218L93Very high88.9Confident1 Ų156 Ų561%0.00530%0.301CS..Hα-helixtrans-61-42.7179.5-70.5173.4000112.4L184 L214 I215 L222 Y234 C237 I238 I241L184-L218 HydrophobicContact CD1-CD2 4.02Å; L214-L218 HydrophobicContact CD1-CD1 3.96Å; L214-L218 HydrophobicContact CD1-CG 4.13Å; L214-L218 HydrophobicContact CG-CD1 4.15Å; L214-L218 VanDerWaalsContact O-CG 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.22Å; L214-L218 PolarHBondContact O-N 3.39Å; I215-L218 PolarHBondContact O-N 3.03Å; L218-L222 WeakPolarHBondContact O-CB 3.45Å; L218-L222 PolarHBondContact O-N 2.91Å; L218-Y234 HydrophobicContact CD2-CD1 3.73Å; L218-Y234 HydrophobicContact CD2-CE1 4.46Å; L218-C237 HydrophobicContact CD1-CB 4.45Å; L218-C237 HydrophobicContact CD2-CB 4.15Å; L218-I238 HydrophobicContact CB-CG1 4.49Å; L218-I238 HydrophobicContact CD1-CG1 4.2Å; L218-I241 HydrophobicContact CD1-CD1 3.41Å; L218-I241 VanDerWaalsContact CD1-CD1 3.41Å
219L91.5Very high89Confident24 Ų2452.7 Ų52.713%0.12629%0.286CS..Hα-helixtrans-66-40.6177.4-75.1174.2000112.2I215 E216 H217 S223 I256 L259I215-L219 HydrophobicContact CG2-CD1 3.87Å; I215-L219 HydrophobicContact CG2-CG 4.32Å; I215-L219 WeakPolarHBondContact O-CB 3.18Å; I215-L219 WeakPolarHBondContact O-CG 3.27Å; I215-L219 PolarHBondContact O-N 2.92Å; E216-L219 PolarHBondContact O-N 3.18Å; H217-L219 PolarHBondContact O-N 3.14Å; L219-S223 VanDerWaalsContact O-CB 3.29Å; L219-S223 WeakPolarHBondContact O-CB 3.46Å; L219-S223 PolarHBondContact O-N 2.84Å; L219-S223 PolarHBondContact O-OG 3.23Å; L219-I256 HydrophobicContact CD2-CG1 3.79Å; L219-L259 HydrophobicContact CD2-CD1 4.04Å
220S91.6Very high89Confident60 Ų6047.3 Ų47.342%0.4226%0.26SS..Hα-helixtrans-63.2-50.8177-178.20000111.3E216 H217 S223 K224E216-S220 WeakPolarHBondContact O-CB 3.21Å; E216-S220 PolarHBondContact O-N 2.91Å; H217-S220 PolarHBondContact O-N 3.09Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-N 2.84Å; S220-K224 WeakPolarHBondContact O-CG 3.37Å; S220-K224 PolarHBondContact O-N 3.19Å; S220-K224 VanDerWaalsContact O-N 3.1Å
221E90Very high89.1Confident28 Ų2846.7 Ų46.713%0.13126%0.256CS..Hα-helixtrans-67.2-39.2-179.7-64.4-56.3128.100112.5H217 S223 K224 N225 Y234H217-E221 WeakPolarHBondContact O-CG 3.21Å; H217-E221 PolarHBondContact O-N 2.91Å; E221-S223 VanDerWaalsContact C-N 3.26Å; E221-S223 PolarHBondContact O-N 3.2Å; E221-K224 PolarHBondContact O-N 3.02Å; E221-K224 IonicContact OE1-NZ 3.89Å; E221-K224 PolarHBondContact OE1-NZ 3.49Å; E221-K224 IonicContact OE2-NZ 3.82Å; E221-N225 PolarHBondContact O-N 3.43Å; E221-Y234 HydrophobicContact CB-CD2 4.13Å; E221-Y234 HydrophobicContact CB-CE1 4.08Å; E221-Y234 HydrophobicContact CB-CE2 3.53Å; E221-Y234 VanDerWaalsContact CB-CZ 3.5Å; E221-Y234 HydrophobicContact CG-CE1 4.5Å; E221-Y234 HydrophobicContact CG-CE2 4.5Å
222L88.7Confident89.2Confident0 Ų049.1 Ų49.10%027%0.265CS..Hα-helixtrans-64.8-31.9174.8-170.468.6000111.8L218 T231 I235 I238 L259 F263L218-L222 WeakPolarHBondContact O-CB 3.45Å; L218-L222 PolarHBondContact O-N 2.91Å; L222-T231 HydrophobicContact CD1-CG2 3.97Å; L222-I235 HydrophobicContact CD1-CD1 4.27Å; L222-I235 HydrophobicContact CD1-CG1 3.98Å; L222-I238 HydrophobicContact CD2-CD1 3.84Å; L222-L259 HydrophobicContact CD2-CB 4.05Å; L222-L259 HydrophobicContact CD2-CD1 4.05Å; L222-F263 HydrophobicContact CD1-CD2 4.05Å; L222-F263 HydrophobicContact CD1-CE2 3.65Å; L222-F263 HydrophobicContact CD1-CZ 4.22Å; L222-F263 HydrophobicContact CD2-CE2 4.24Å; L222-F263 HydrophobicContact CG-CD2 4.31Å; L222-F263 HydrophobicContact CG-CE2 3.64Å; L222-F263 HydrophobicContact CG-CZ 4.35Å; L222-F263 WeakPolarHBondContact O-CZ 3.35Å
223S87.1Confident89.2Confident76 Ų7647.3 Ų47.353%0.53125%0.254SS..Hα-helixtrans-74-31.9176.3-61.20000113.2L219 S220 E221L219-S223 VanDerWaalsContact O-CB 3.29Å; L219-S223 WeakPolarHBondContact O-CB 3.46Å; L219-S223 PolarHBondContact O-N 2.84Å; L219-S223 PolarHBondContact O-OG 3.23Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-N 2.84Å; E221-S223 VanDerWaalsContact C-N 3.26Å; E221-S223 PolarHBondContact O-N 3.2Å
224K86.3Confident89.3Confident114 Ų11443.7 Ų43.750%0.49623%0.234SC..Hα-helixtrans-65.4-40.8175.5-70.6174.2-174.5171.80112.3S220 E221S220-K224 WeakPolarHBondContact O-CG 3.37Å; S220-K224 PolarHBondContact O-N 3.19Å; S220-K224 VanDerWaalsContact O-N 3.1Å; E221-K224 PolarHBondContact O-N 3.02Å; E221-K224 IonicContact OE1-NZ 3.89Å; E221-K224 PolarHBondContact OE1-NZ 3.49Å; E221-K224 IonicContact OE2-NZ 3.82Å
225N81.6Confident89.3Confident65 Ų6543.7 Ų43.735%0.34823%0.234SC..  trans55.550179.8-172.143.1000113.6E221 T231 F263E221-N225 PolarHBondContact O-N 3.43Å; N225-T231 PolarHBondContact OD1-OG1 3.05Å; N225-F263 HydrophobicContact CB-CE1 4.34Å; N225-F263 HydrophobicContact CB-CZ 4.3Å; N225-F263 WeakPolarHBondContact OD1-CE1 3.43Å
226D77.1Confident89.3Confident123 Ų12345.1 Ų45.166%0.65824%0.241SC*.  trans-67.8-38.6-174.7-68.6-24.6000113.9
227S85.2Confident89.4Confident47 Ų4739.4 Ų39.433%0.32921%0.214SC..  trans-147.9144.6178.387.70000111.8S229 T230 T231S227-S229 VanDerWaalsContact C-N 3.25Å; S227-S229 PolarHBondContact O-N 3.18Å; S227-T230 PolarHBondContact O-N 2.87Å; S227-T230 PolarHBondContact O-OG1 2.92Å; S227-T230 WeakPolarHBondContact OG-CB 3.43Å; S227-T230 WeakPolarHBondContact OG-CG2 3.38Å; S227-T230 PolarHBondContact OG-N 3.36Å; S227-T230 VanDerWaalsContact OG-N 3.12Å; S227-T230 PolarHBondContact OG-OG1 3.33Å; S227-T231 PolarHBondContact O-N 2.95Å; S227-T231 PolarHBondContact O-OG1 3.35Å; S227-T231 VanDerWaalsContact O-OG1 3.06Å
228M85.5Confident89.5Confident71 Ų7136.9 Ų36.935%0.3520%0.203SC..Hα-helixtrans-60.3-38.3179.2-153.962.473.500112T230 T231 R232 V266 L271M228-T230 PolarHBondContact O-N 2.85Å; M228-T231 PolarHBondContact O-N 3.36Å; M228-R232 WeakPolarHBondContact O-CG 3.37Å; M228-R232 PolarHBondContact O-N 2.89Å; M228-V266 HydrophobicContact CE-CG1 3.56Å; M228-V266 HydrophobicContact SD-CG1 3.99Å; M228-L271 HydrophobicContact CG-CD2 4.48Å; M228-L271 HydrophobicContact SD-CD2 3.56Å; M228-L271 VanDerWaalsContact SD-CD2 3.56Å
229S87Confident89.4Confident49 Ų4937 Ų3734%0.34320%0.203SC..Hα-helixtrans-63.5-41.1179-163.90000112.6R192 S227 T233R192-S229 PolarHBondContact NH1-O 2.85Å; R192-S229 PolarHBondContact NH1-OG 3.05Å; R192-S229 PolarHBondContact NH2-OG 3.37Å; S227-S229 VanDerWaalsContact C-N 3.25Å; S227-S229 PolarHBondContact O-N 3.18Å; S229-T233 PolarHBondContact O-N 2.89Å; S229-T233 PolarHBondContact O-OG1 3.41Å
230T88.2Confident89.5Confident21 Ų2136.4 Ų36.413%0.12920%0.202CC..Hα-helixtrans-71.9-37.9175.750.70000111.2T185 S227 M228 R232 T233 Y234T185-T230 HydrophobicContact CG2-CG2 4.25Å; S227-T230 PolarHBondContact O-N 2.87Å; S227-T230 PolarHBondContact O-OG1 2.92Å; S227-T230 WeakPolarHBondContact OG-CB 3.43Å; S227-T230 WeakPolarHBondContact OG-CG2 3.38Å; S227-T230 PolarHBondContact OG-N 3.36Å; S227-T230 VanDerWaalsContact OG-N 3.12Å; S227-T230 PolarHBondContact OG-OG1 3.33Å; M228-T230 PolarHBondContact O-N 2.85Å; T230-R232 PolarHBondContact O-N 2.9Å; T230-T233 WeakPolarHBondContact O-CA 3.36Å; T230-T233 VanDerWaalsContact O-CB 3.27Å; T230-T233 WeakPolarHBondContact O-CB 3.34Å; T230-T233 PolarHBondContact O-N 3.32Å; T230-Y234 WeakPolarHBondContact O-CD2 3.33Å; T230-Y234 PolarHBondContact O-N 3.14Å
231T91.2Very high89.5Confident0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-58.5-45.8175.2-62.90000112L222 N225 S227 M228 T233 Y234 I235 F263 L271L222-T231 HydrophobicContact CD1-CG2 3.97Å; N225-T231 PolarHBondContact OD1-OG1 3.05Å; S227-T231 PolarHBondContact O-N 2.95Å; S227-T231 PolarHBondContact O-OG1 3.35Å; S227-T231 VanDerWaalsContact O-OG1 3.06Å; M228-T231 PolarHBondContact O-N 3.36Å; T231-T233 VanDerWaalsContact C-N 3.27Å; T231-T233 PolarHBondContact O-N 2.86Å; T231-Y234 PolarHBondContact O-N 3.26Å; T231-I235 HydrophobicContact CG2-CD1 4.07Å; T231-I235 PolarHBondContact O-N 3.47Å; T231-I235 VanDerWaalsContact O-N 3.1Å; T231-F263 HydrophobicContact CG2-CD1 3.62Å; T231-F263 HydrophobicContact CG2-CD2 4.34Å; T231-F263 HydrophobicContact CG2-CE1 3.65Å; T231-F263 HydrophobicContact CG2-CE2 4.4Å; T231-F263 HydrophobicContact CG2-CG 3.99Å; T231-F263 HydrophobicContact CG2-CZ 4.06Å; T231-L271 HydrophobicContact CG2-CD1 4.08Å
232R92Very high89.5Confident54 Ų5432.2 Ų32.220%0.20418%0.176CC..Hα-helixtrans-54.3-44.3171.4-69.2-177.6-162.5159.15.8111.5M228 T230 I235 Q236 D268 E270 L271 Y274M228-R232 WeakPolarHBondContact O-CG 3.37Å; M228-R232 PolarHBondContact O-N 2.89Å; T230-R232 PolarHBondContact O-N 2.9Å; R232-I235 PolarHBondContact O-N 3.28Å; R232-Q236 VanDerWaalsContact O-CG 3.31Å; R232-Q236 WeakPolarHBondContact O-CG 3.26Å; R232-Q236 PolarHBondContact O-N 3.41Å; R232-D268 IonicContact CZ-OD1 2.75Å; R232-D268 IonicContact CZ-OD2 3.24Å; R232-D268 VanDerWaalsContact CZ-OD2 3.22Å; R232-D268 IonicContact NE-OD1 3.1Å; R232-D268 IonicContact NE-OD2 2.73Å; R232-D268 PolarHBondContact NE-OD2 3.28Å; R232-D268 IonicContact NH2-OD1 2.84Å; R232-D268 PolarHBondContact NH2-OD1 3.28Å; R232-D268 IonicContact NH2-OD2 2.92Å; R232-D268 PolarHBondContact NH2-OD2 3.09Å; R232-E270 IonicContact CZ-OE2 2.69Å; R232-E270 IonicContact NE-OE2 3.98Å; R232-E270 VanDerWaalsContact NH1-CD 3.33Å; R232-E270 IonicContact NH1-OE1 3.77Å; R232-E270 IonicContact NH1-OE2 3.83Å; R232-E270 PolarHBondContact NH1-OE2 3.19Å; R232-L271 HydrophobicContact CG-CB 4.02Å; R232-L271 HydrophobicContact CG-CD1 3.96Å; R232-Y274 HydrophobicContact CB-CD2 3.96Å; R232-Y274 HydrophobicContact CB-CE2 4.16Å; R232-Y274 HydrophobicContact CG-CD2 4.2Å; R232-Y274 HydrophobicContact CG-CE2 4.42Å
233T92.9Very high89.4Confident1 Ų137.1 Ų37.11%0.00620%0.195CC..Hα-helixtrans-64-44.5-178.9-51.50000111.9L184 R192 I196 S229 T230 T231 Q236 C237L184-T233 HydrophobicContact CD2-CG2 4.16Å; R192-T233 HydrophobicContact CB-CG2 3.92Å; R192-T233 HydrophobicContact CG-CG2 4.25Å; R192-T233 PolarHBondContact NH1-OG1 3.05Å; I196-T233 HydrophobicContact CD1-CG2 3.84Å; I196-T233 HydrophobicContact CG1-CG2 4.44Å; S229-T233 PolarHBondContact O-N 2.89Å; S229-T233 PolarHBondContact O-OG1 3.41Å; T230-T233 WeakPolarHBondContact O-CA 3.36Å; T230-T233 VanDerWaalsContact O-CB 3.27Å; T230-T233 WeakPolarHBondContact O-CB 3.34Å; T230-T233 PolarHBondContact O-N 3.32Å; T231-T233 VanDerWaalsContact C-N 3.27Å; T231-T233 PolarHBondContact O-N 2.86Å; T233-Q236 PolarHBondContact O-N 3.32Å; T233-C237 WeakPolarHBondContact O-CB 3.33Å; T233-C237 PolarHBondContact O-N 2.9Å
234Y94Very high89.3Confident6 Ų636.2 Ų36.22%0.02418%0.182CC..Hα-helixtrans-66-39.8179.6-62.7-45.9000112.3L184 T185 L218 E221 T230 T231 C237 I238L184-Y234 HydrophobicContact CB-CE1 4.05Å; L184-Y234 HydrophobicContact CD1-CD1 4.37Å; L184-Y234 HydrophobicContact CD1-CE1 4.19Å; T185-Y234 VanDerWaalsContact CG2-OH 3.31Å; T185-Y234 WeakPolarHBondContact CG2-OH 3.45Å; L218-Y234 HydrophobicContact CD2-CD1 3.73Å; L218-Y234 HydrophobicContact CD2-CE1 4.46Å; E221-Y234 HydrophobicContact CB-CD2 4.13Å; E221-Y234 HydrophobicContact CB-CE1 4.08Å; E221-Y234 HydrophobicContact CB-CE2 3.53Å; E221-Y234 VanDerWaalsContact CB-CZ 3.5Å; E221-Y234 HydrophobicContact CG-CE1 4.5Å; E221-Y234 HydrophobicContact CG-CE2 4.5Å; T230-Y234 WeakPolarHBondContact O-CD2 3.33Å; T230-Y234 PolarHBondContact O-N 3.14Å; T231-Y234 PolarHBondContact O-N 3.26Å; Y234-C237 WeakPolarHBondContact O-CB 3.44Å; Y234-C237 PolarHBondContact O-N 2.86Å; Y234-I238 WeakPolarHBondContact O-CG1 3.39Å; Y234-I238 PolarHBondContact O-N 2.93Å
235I93.4Very high89.1Confident1 Ų130.9 Ų30.91%0.00516%0.159CC..Hα-helixtrans-64.6-43.9175.1-73.3159.2000111.3L222 T231 R232 C237 I238 A239 F263 L271 A278L222-I235 HydrophobicContact CD1-CD1 4.27Å; L222-I235 HydrophobicContact CD1-CG1 3.98Å; T231-I235 HydrophobicContact CG2-CD1 4.07Å; T231-I235 PolarHBondContact O-N 3.47Å; T231-I235 VanDerWaalsContact O-N 3.1Å; R232-I235 PolarHBondContact O-N 3.28Å; I235-C237 VanDerWaalsContact C-N 3.26Å; I235-C237 PolarHBondContact O-N 3.3Å; I235-I238 PolarHBondContact O-N 2.92Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 3.16Å; I235-F263 HydrophobicContact CD1-CB 3.87Å; I235-F263 HydrophobicContact CD1-CD2 4.13Å; I235-F263 HydrophobicContact CD1-CG 4.12Å; I235-L271 HydrophobicContact CD1-CD1 3.39Å; I235-A278 HydrophobicContact CG2-CB 4.26Å
236Q93.9Very high89Confident32 Ų3228.1 Ų28.115%0.1515%0.146CC..Hα-helixtrans-60.1-37.9173.7-71.6-179.5-57.100112.2I196 R232 T233 A239 A240 Y274I196-Q236 HydrophobicContact CD1-CB 3.78Å; R232-Q236 VanDerWaalsContact O-CG 3.31Å; R232-Q236 WeakPolarHBondContact O-CG 3.26Å; R232-Q236 PolarHBondContact O-N 3.41Å; T233-Q236 PolarHBondContact O-N 3.32Å; Q236-A239 PolarHBondContact O-N 2.67Å; Q236-A240 WeakPolarHBondContact O-CB 3.43Å; Q236-A240 PolarHBondContact O-N 3.29Å; Q236-Y274 HydrophobicContact CG-CD1 3.67Å; Q236-Y274 HydrophobicContact CG-CD2 3.81Å; Q236-Y274 HydrophobicContact CG-CE1 4.04Å; Q236-Y274 HydrophobicContact CG-CE2 4.17Å; Q236-Y274 HydrophobicContact CG-CG 3.56Å; Q236-Y274 PolarHBondContact NE2-OH 2.93Å
237C94.4Very high88.9Confident0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-64-46.6175.4-164.50000111.7I196 L218 T233 Y234 I235 A239 A240 I241I196-C237 HydrophobicContact CG1-CB 4Å; L218-C237 HydrophobicContact CD1-CB 4.45Å; L218-C237 HydrophobicContact CD2-CB 4.15Å; T233-C237 WeakPolarHBondContact O-CB 3.33Å; T233-C237 PolarHBondContact O-N 2.9Å; Y234-C237 WeakPolarHBondContact O-CB 3.44Å; Y234-C237 PolarHBondContact O-N 2.86Å; I235-C237 VanDerWaalsContact C-N 3.26Å; I235-C237 PolarHBondContact O-N 3.3Å; C237-A239 VanDerWaalsContact C-N 3.34Å; C237-A239 PolarHBondContact O-N 3.44Å; C237-A240 PolarHBondContact O-N 2.93Å; C237-I241 VanDerWaalsContact O-CG1 3.29Å; C237-I241 WeakPolarHBondContact O-CG1 3.35Å; C237-I241 PolarHBondContact O-N 2.87Å
238I94.4Very high88.7Confident2 Ų227.4 Ų27.41%0.0113%0.132CC..Hα-helixtrans-60-44.4176.1-70.7170.7000110.7L218 L222 Y234 I235 A240 I241 S242 I249 I256 F282L218-I238 HydrophobicContact CB-CG1 4.49Å; L218-I238 HydrophobicContact CD1-CG1 4.2Å; L222-I238 HydrophobicContact CD2-CD1 3.84Å; Y234-I238 WeakPolarHBondContact O-CG1 3.39Å; Y234-I238 PolarHBondContact O-N 2.93Å; I235-I238 PolarHBondContact O-N 2.92Å; I238-A240 PolarHBondContact O-N 3.47Å; I238-I241 PolarHBondContact O-N 3.25Å; I238-S242 PolarHBondContact O-N 3.42Å; I238-I249 HydrophobicContact CG2-CD1 4.01Å; I238-I256 HydrophobicContact CG2-CD1 4.41Å; I238-I256 HydrophobicContact CG2-CG2 3.81Å; I238-F282 HydrophobicContact CG2-CE1 3.99Å; I238-F282 HydrophobicContact CG2-CZ 3.73Å
239A92.2Very high88.8Confident2 Ų224 Ų242%0.01712%0.115CC..Hα-helixtrans-61.1-44.3175.900000111.5I235 Q236 C237 S242 R243 A278 S281I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 3.16Å; Q236-A239 PolarHBondContact O-N 2.67Å; C237-A239 VanDerWaalsContact C-N 3.34Å; C237-A239 PolarHBondContact O-N 3.44Å; A239-S242 PolarHBondContact O-N 2.95Å; A239-R243 WeakPolarHBondContact O-CG 3.29Å; A239-R243 PolarHBondContact O-N 2.96Å; A239-A278 HydrophobicContact CB-CB 3.91Å; A239-S281 PolarHBondContact O-OG 3.06Å
240A92Very high88.5Confident12 Ų1221.9 Ų21.910%0.09910%0.101CC..Hα-helixtrans-63.3-40.917700000112.7I196 Q236 C237 I238 R243 Q244I196-A240 HydrophobicContact CG2-CB 3.48Å; I196-A240 VanDerWaalsContact CG2-CB 3.48Å; Q236-A240 WeakPolarHBondContact O-CB 3.43Å; Q236-A240 PolarHBondContact O-N 3.29Å; C237-A240 PolarHBondContact O-N 2.93Å; I238-A240 PolarHBondContact O-N 3.47Å; A240-R243 PolarHBondContact O-N 3.4Å; A240-Q244 WeakPolarHBondContact O-CG 3.49Å; A240-Q244 PolarHBondContact O-N 3.26Å
241I92.4Very high88.4Confident0 Ų028.9 Ų28.90%013%0.132CC..Hα-helixtrans-63-44174.4-67.4165.4000110.3V203 F211 L214 I215 L218 C237 I238 R243 Q244 A245 I249V203-I241 HydrophobicContact CB-CG2 4.48Å; V203-I241 HydrophobicContact CG1-CG1 4.14Å; V203-I241 HydrophobicContact CG1-CG2 4.14Å; V203-I241 HydrophobicContact CG2-CG1 4.42Å; V203-I241 HydrophobicContact CG2-CG2 4.18Å; F211-I241 HydrophobicContact CE2-CG2 4.05Å; F211-I241 HydrophobicContact CZ-CG2 4.44Å; L214-I241 HydrophobicContact CD2-CD1 3.76Å; L214-I241 HydrophobicContact CD2-CG1 4.46Å; L214-I241 HydrophobicContact CG-CD1 4.12Å; I215-I241 HydrophobicContact CD1-CD1 4.29Å; I215-I241 HydrophobicContact CD1-CG2 4.27Å; L218-I241 HydrophobicContact CD1-CD1 3.41Å; L218-I241 VanDerWaalsContact CD1-CD1 3.41Å; C237-I241 VanDerWaalsContact O-CG1 3.29Å; C237-I241 WeakPolarHBondContact O-CG1 3.35Å; C237-I241 PolarHBondContact O-N 2.87Å; I238-I241 PolarHBondContact O-N 3.25Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 3.03Å; I241-Q244 PolarHBondContact O-N 3.39Å; I241-A245 WeakPolarHBondContact O-CA 3.38Å; I241-A245 PolarHBondContact O-N 3.48Å; I241-I249 HydrophobicContact CB-CD1 4.44Å; I241-I249 HydrophobicContact CG2-CD1 4.05Å
242S90.1Very high88.3Confident0 Ų030.9 Ų30.90%014%0.14CC..Hα-helixtrans-59.6-41.2176.1169.90000112.4I238 A239 Q244 G246 S281 F282 R285I238-S242 PolarHBondContact O-N 3.42Å; A239-S242 PolarHBondContact O-N 2.95Å; S242-Q244 VanDerWaalsContact C-N 3.26Å; S242-Q244 PolarHBondContact O-N 3.01Å; S242-G246 WeakPolarHBondContact O-CA 3.48Å; S242-G246 PolarHBondContact O-N 3.31Å; S242-G246 VanDerWaalsContact O-N 3.11Å; S242-S281 VanDerWaalsContact CB-OG 3.3Å; S242-S281 WeakPolarHBondContact CB-OG 3.18Å; S242-S281 PolarHBondContact OG-OG 2.82Å; S242-F282 WeakPolarHBondContact OG-CD1 3.42Å; S242-R285 WeakPolarHBondContact O-CG 3.48Å
243R87.5Confident88.2Confident103 Ų10328.4 Ų28.439%0.38913%0.131SC..Hα-helixtrans-61.7-33177.8-70.3-179-159.7124.12.1113.2A239 A240 I241 S281A239-R243 WeakPolarHBondContact O-CG 3.29Å; A239-R243 PolarHBondContact O-N 2.96Å; A240-R243 PolarHBondContact O-N 3.4Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 3.03Å; R243-S281 VanDerWaalsContact CG-OG 3.25Å; R243-S281 WeakPolarHBondContact CG-OG 3.18Å; R243-S281 PolarHBondContact N-OG 3.34Å
244Q84.9Confident88.1Confident58 Ų5835.8 Ų35.827%0.27117%0.165SC..Hα-helixtrans-100.1-26.6-174.7-58.2-68.923.700113.6G200 V203 M204 A240 I241 S242G200-Q244 VanDerWaalsContact O-CB 3.26Å; G200-Q244 WeakPolarHBondContact O-CB 3.34Å; G200-Q244 WeakPolarHBondContact O-CG 3.33Å; V203-Q244 HydrophobicContact CG2-CB 4.14Å; M204-Q244 HydrophobicContact CG-CB 3.89Å; M204-Q244 HydrophobicContact SD-CB 4.4Å; A240-Q244 WeakPolarHBondContact O-CG 3.49Å; A240-Q244 PolarHBondContact O-N 3.26Å; I241-Q244 PolarHBondContact O-N 3.39Å; S242-Q244 VanDerWaalsContact C-N 3.26Å; S242-Q244 PolarHBondContact O-N 3.01Å
245A80.2Confident87.9Confident1 Ų142.5 Ų42.51%0.00820%0.195CC..Hα-helixtrans-141.746-172.800000112.7V203 F211 I241 H247 R248 I249V203-A245 HydrophobicContact CB-CB 4.05Å; V203-A245 HydrophobicContact CG2-CB 3.77Å; F211-A245 HydrophobicContact CE2-CB 4.35Å; I241-A245 WeakPolarHBondContact O-CA 3.38Å; I241-A245 PolarHBondContact O-N 3.48Å; A245-H247 VanDerWaalsContact C-N 3.3Å; A245-H247 PolarHBondContact O-N 2.99Å; A245-R248 HydrophobicContact CB-CB 4.48Å; A245-R248 HydrophobicContact CB-CG 4.39Å; A245-R248 PolarHBondContact O-N 3.37Å; A245-I249 PolarHBondContact O-N 3.26Å
246G80.8Confident87.9Confident7 Ų742.5 Ų42.57%0.07220%0.195CC..Hα-helixtrans-50.8-43-179.100000114.8S242 R248 I249 G250 C286S242-G246 WeakPolarHBondContact O-CA 3.48Å; S242-G246 PolarHBondContact O-N 3.31Å; S242-G246 VanDerWaalsContact O-N 3.11Å; G246-R248 PolarHBondContact O-N 2.96Å; G246-I249 WeakPolarHBondContact O-CG2 3.46Å; G246-I249 PolarHBondContact O-N 3.44Å; G246-G250 PolarHBondContact O-N 2.94Å; G246-G250 VanDerWaalsContact O-N 3.11Å; G246-C286 PolarHBondContact O-SG 3.47Å
247H74.8Confident87.8Confident122 Ų12241 Ų4157%0.56519%0.188SC*.Hα-helixtrans-63.9-26.418067.2-88000113.7A245A245-H247 VanDerWaalsContact C-N 3.3Å; A245-H247 PolarHBondContact O-N 2.99Å
248R80.8Confident87.7Confident33 Ų3344.5 Ų44.513%0.12521%0.21CC..Hα-helixtrans-87.6-38.7179.5-52.7-179.969.5177.310.5111.9V203 C206 G207 N208 F211 A245 G246 G250V203-R248 PolarHBondContact O-NH1 3.29Å; C206-R248 PolarHBondContact O-NH1 3.39Å; C206-R248 PolarHBondContact O-NH2 3.45Å; C206-R248 VanDerWaalsContact O-NH2 3.07Å; C206-R248 PolarHBondContact SG-NH1 3.19Å; C206-R248 VanDerWaalsContact SG-NH1 3.45Å; G207-R248 PolarHBondContact O-NH2 3.2Å; N208-R248 PolarHBondContact OD1-NH2 2.79Å; F211-R248 HydrophobicContact CD1-CB 4.39Å; F211-R248 HydrophobicContact CD2-CB 4.43Å; F211-R248 HydrophobicContact CE1-CB 3.7Å; F211-R248 HydrophobicContact CE2-CB 3.75Å; F211-R248 VanDerWaalsContact CG-CZ 3.49Å; F211-R248 HydrophobicContact CZ-CB 3.34Å; A245-R248 HydrophobicContact CB-CB 4.48Å; A245-R248 HydrophobicContact CB-CG 4.39Å; A245-R248 PolarHBondContact O-N 3.37Å; G246-R248 PolarHBondContact O-N 2.96Å; R248-G250 VanDerWaalsContact C-N 3.26Å; R248-G250 PolarHBondContact O-N 3.42Å
249I87Confident87.6Confident0 Ų046 Ų460%022%0.218CC..Hα-helixtrans-73.8-20.7-179.8-155.5172.9000112.2I215 I238 I241 A245 G246 E251 Y252 L253 I256I215-I249 HydrophobicContact CD1-CD1 4.42Å; I215-I249 HydrophobicContact CD1-CG1 4.35Å; I238-I249 HydrophobicContact CG2-CD1 4.01Å; I241-I249 HydrophobicContact CB-CD1 4.44Å; I241-I249 HydrophobicContact CG2-CD1 4.05Å; A245-I249 PolarHBondContact O-N 3.26Å; G246-I249 WeakPolarHBondContact O-CG2 3.46Å; G246-I249 PolarHBondContact O-N 3.44Å; I249-E251 VanDerWaalsContact C-N 3.25Å; I249-E251 PolarHBondContact O-N 3.3Å; I249-Y252 PolarHBondContact O-N 3.14Å; I249-L253 PolarHBondContact O-N 3.15Å; I249-I256 HydrophobicContact CD1-CD1 3.87Å; I249-I256 HydrophobicContact CG1-CD1 3.69Å
250G82.3Confident87.6Confident5 Ų545.9 Ų45.95%0.05222%0.217CC..G310 helixtrans-48.7-43.2179.400000113.6G246 R248 Y252 L253G246-G250 PolarHBondContact O-N 2.94Å; G246-G250 VanDerWaalsContact O-N 3.11Å; R248-G250 VanDerWaalsContact C-N 3.26Å; R248-G250 PolarHBondContact O-N 3.42Å; G250-Y252 PolarHBondContact O-N 3.3Å; G250-Y252 VanDerWaalsContact O-N 3.15Å; G250-L253 WeakPolarHBondContact O-CB 3.47Å; G250-L253 PolarHBondContact O-N 2.91Å
251E85.1Confident87.7Confident167 Ų16746.9 Ų46.978%0.7822%0.222SC*.G310 helixtrans-64.4-18179.2-61.2-176.217200113.9I249I249-E251 VanDerWaalsContact C-N 3.25Å; I249-E251 PolarHBondContact O-N 3.3Å
252Y89.7Confident87.6Confident43 Ų4353.1 Ų53.117%0.16925%0.249CC..G310 helixtrans-104.2-5.6-178.1-60.3-90.2000112.9F211 I215 I249 G250 E254 K255 I256F211-Y252 HydrophobicContact CE1-CD2 4.36Å; F211-Y252 AromaticContact CE1-CE2 3.91Å; F211-Y252 HydrophobicContact CE1-CE2 3.91Å; I215-Y252 HydrophobicContact CG2-CD1 3.57Å; I215-Y252 HydrophobicContact CG2-CD2 4.29Å; I215-Y252 HydrophobicContact CG2-CE1 3.9Å; I215-Y252 HydrophobicContact CG2-CG 3.79Å; I249-Y252 PolarHBondContact O-N 3.14Å; G250-Y252 PolarHBondContact O-N 3.3Å; G250-Y252 VanDerWaalsContact O-N 3.15Å; Y252-E254 VanDerWaalsContact C-N 3.26Å; Y252-E254 PolarHBondContact O-N 3.14Å; Y252-K255 PolarHBondContact O-N 2.91Å; Y252-I256 WeakPolarHBondContact O-CG1 3.43Å; Y252-I256 PolarHBondContact O-N 3.45Å
253L89.6Confident87.7Confident2 Ų253.2 Ų53.21%0.0125%0.25CC..Hα-helixtrans-61.2-33.3-174.8-74.8-175000113.4I249 G250 K255 I256 I257 F282 C286 E289 V290I249-L253 PolarHBondContact O-N 3.15Å; G250-L253 WeakPolarHBondContact O-CB 3.47Å; G250-L253 PolarHBondContact O-N 2.91Å; L253-K255 PolarHBondContact O-N 3.3Å; L253-I256 PolarHBondContact O-N 2.71Å; L253-I257 HydrophobicContact CB-CD1 3.98Å; L253-I257 HydrophobicContact CB-CG1 4.4Å; L253-I257 HydrophobicContact CD2-CD1 4.45Å; L253-I257 HydrophobicContact CD2-CG1 4.39Å; L253-I257 WeakPolarHBondContact O-CB 3.37Å; L253-I257 WeakPolarHBondContact O-CG1 3.34Å; L253-I257 PolarHBondContact O-N 3.46Å; L253-F282 HydrophobicContact CD2-CB 4.43Å; L253-F282 HydrophobicContact CD2-CD1 3.73Å; L253-F282 HydrophobicContact CD2-CD2 4.16Å; L253-F282 HydrophobicContact CD2-CE1 3.99Å; L253-F282 HydrophobicContact CD2-CE2 4.39Å; L253-F282 HydrophobicContact CD2-CG 3.85Å; L253-F282 HydrophobicContact CD2-CZ 4.31Å; L253-C286 HydrophobicContact CD1-CB 3.44Å; L253-C286 VanDerWaalsContact CD1-CB 3.44Å; L253-E289 HydrophobicContact CD1-CB 3.99Å; L253-V290 HydrophobicContact CD1-CB 4.41Å
254E90Very high87.9Confident156 Ų15648.4 Ų48.473%0.72923%0.232SC*.Hα-helixtrans-59.5-30.3175.9-168178.4-176.200112.3Y252 P258Y252-E254 VanDerWaalsContact C-N 3.26Å; Y252-E254 PolarHBondContact O-N 3.14Å; E254-P258 WeakPolarHBondContact O-CD 3.37Å; E254-P258 VanDerWaalsContact O-CG 3.26Å; E254-P258 WeakPolarHBondContact O-CG 3.28Å
255K90.6Very high88Confident146 Ų14649.9 Ų49.964%0.63524%0.241SC*.Hα-helixtrans-88.6-36.2174.7-63.9-179.8-177.4174.50112.6Y252 L253Y252-K255 PolarHBondContact O-N 2.91Å; L253-K255 PolarHBondContact O-N 3.3Å
256I93.1Very high88.4Confident1 Ų151.9 Ų51.91%0.00525%0.253CS..Hα-helixtrans-73.9-49.8-174.9-67.5166.5000111.3L219 I238 I249 Y252 L253 L259 V260 F282L219-I256 HydrophobicContact CD2-CG1 3.79Å; I238-I256 HydrophobicContact CG2-CD1 4.41Å; I238-I256 HydrophobicContact CG2-CG2 3.81Å; I249-I256 HydrophobicContact CD1-CD1 3.87Å; I249-I256 HydrophobicContact CG1-CD1 3.69Å; Y252-I256 WeakPolarHBondContact O-CG1 3.43Å; Y252-I256 PolarHBondContact O-N 3.45Å; L253-I256 PolarHBondContact O-N 2.71Å; I256-L259 WeakPolarHBondContact O-CB 3.31Å; I256-L259 PolarHBondContact O-N 2.96Å; I256-L259 VanDerWaalsContact O-N 3.09Å; I256-V260 HydrophobicContact CG2-CG2 3.85Å; I256-V260 WeakPolarHBondContact O-CG2 3.19Å; I256-V260 PolarHBondContact O-N 3.39Å; I256-F282 HydrophobicContact CG2-CE2 4.14Å; I256-F282 HydrophobicContact CG2-CZ 3.79Å
257I92.3Very high88.7Confident2 Ų257.9 Ų57.91%0.0128%0.284CS..Hα-helixtrans-58-46.4-172.4-69.8170.7000111.9L253 L259 V260 V261 F279 F282 V290 H293L253-I257 HydrophobicContact CB-CD1 3.98Å; L253-I257 HydrophobicContact CB-CG1 4.4Å; L253-I257 HydrophobicContact CD2-CD1 4.45Å; L253-I257 HydrophobicContact CD2-CG1 4.39Å; L253-I257 WeakPolarHBondContact O-CB 3.37Å; L253-I257 WeakPolarHBondContact O-CG1 3.34Å; L253-I257 PolarHBondContact O-N 3.46Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.35Å; I257-V260 PolarHBondContact O-N 3.39Å; I257-V260 VanDerWaalsContact O-N 3.15Å; I257-V261 HydrophobicContact CG2-CG2 4.07Å; I257-V261 VanDerWaalsContact O-CG2 3.29Å; I257-V261 WeakPolarHBondContact O-CG2 3.31Å; I257-V261 PolarHBondContact O-N 3.06Å; I257-F279 HydrophobicContact CG2-CE1 4.34Å; I257-F282 HydrophobicContact CG1-CD2 4.19Å; I257-F282 HydrophobicContact CG1-CE2 4.39Å; I257-V290 HydrophobicContact CD1-CG2 3.99Å; I257-H293 HydrophobicContact CD1-CB 3.97Å; I257-H293 VanDerWaalsContact CD1-CD2 3.45Å; I257-H293 WeakPolarHBondContact CD1-CD2 3.38Å; I257-H293 HydrophobicContact CG2-CB 4.02Å
258P92.5Very high89.4Confident72 Ų7253.4 Ų53.447%0.46826%0.264SS..Hα-helixtrans-57.6-38176.7-2736.1000113.8E254 K262E254-P258 WeakPolarHBondContact O-CD 3.37Å; E254-P258 VanDerWaalsContact O-CG 3.26Å; E254-P258 WeakPolarHBondContact O-CG 3.28Å; P258-K262 PolarHBondContact O-N 3.29Å
259L91.7Very high89.8Confident34 Ų3453.5 Ų53.518%0.17827%0.267CS..Hα-helixtrans-66.8-47.3175.4-68.3173.4000110.8L219 L222 I256 I257 V261 K262 F263L219-L259 HydrophobicContact CD2-CD1 4.04Å; L222-L259 HydrophobicContact CD2-CB 4.05Å; L222-L259 HydrophobicContact CD2-CD1 4.05Å; I256-L259 WeakPolarHBondContact O-CB 3.31Å; I256-L259 PolarHBondContact O-N 2.96Å; I256-L259 VanDerWaalsContact O-N 3.09Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.35Å; L259-V261 VanDerWaalsContact C-N 3.32Å; L259-V261 PolarHBondContact O-N 2.9Å; L259-K262 WeakPolarHBondContact O-CB 3.28Å; L259-K262 PolarHBondContact O-N 3.5Å; L259-K262 VanDerWaalsContact O-N 3.13Å; L259-F263 HydrophobicContact CB-CE2 4.31Å; L259-F263 WeakPolarHBondContact O-CD2 3.1Å; L259-F263 PolarHBondContact O-N 3.46Å
260V92.9Very high90Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-62.2-39.9179-177.50000111I256 I257 K262 F263 C264 C275 A278 F279 F282I256-V260 HydrophobicContact CG2-CG2 3.85Å; I256-V260 WeakPolarHBondContact O-CG2 3.19Å; I256-V260 PolarHBondContact O-N 3.39Å; I257-V260 PolarHBondContact O-N 3.39Å; I257-V260 VanDerWaalsContact O-N 3.15Å; V260-K262 PolarHBondContact O-N 2.85Å; V260-F263 PolarHBondContact O-N 3.04Å; V260-C264 VanDerWaalsContact O-CB 3.25Å; V260-C264 WeakPolarHBondContact O-CB 3.41Å; V260-C264 PolarHBondContact O-N 3.08Å; V260-C275 HydrophobicContact CG1-CB 3.74Å; V260-A278 HydrophobicContact CG1-CB 4.43Å; V260-F279 HydrophobicContact CB-CE1 3.85Å; V260-F279 HydrophobicContact CB-CZ 4.01Å; V260-F279 HydrophobicContact CG1-CD1 4.2Å; V260-F279 HydrophobicContact CG1-CE1 3.54Å; V260-F279 HydrophobicContact CG1-CE2 4.15Å; V260-F279 HydrophobicContact CG1-CZ 3.5Å; V260-F282 HydrophobicContact CG2-CE2 4.4Å
261V92.8Very high90.5Very high33 Ų3356.1 Ų56.120%0.228%0.278CS..Hα-helixtrans-61.5-42.3174171.40000111.3I257 L259 C264 N265 F279 T296 I300I257-V261 HydrophobicContact CG2-CG2 4.07Å; I257-V261 VanDerWaalsContact O-CG2 3.29Å; I257-V261 WeakPolarHBondContact O-CG2 3.31Å; I257-V261 PolarHBondContact O-N 3.06Å; L259-V261 VanDerWaalsContact C-N 3.32Å; L259-V261 PolarHBondContact O-N 2.9Å; V261-C264 PolarHBondContact O-N 3.48Å; V261-N265 PolarHBondContact O-N 3.45Å; V261-N265 PolarHBondContact O-ND2 3.47Å; V261-F279 HydrophobicContact CB-CZ 4.5Å; V261-F279 HydrophobicContact CG2-CE1 4.15Å; V261-F279 HydrophobicContact CG2-CZ 3.66Å; V261-T296 HydrophobicContact CG2-CG2 4.32Å; V261-I300 HydrophobicContact CB-CD1 4.43Å; V261-I300 HydrophobicContact CG1-CD1 4.08Å; V261-I300 HydrophobicContact CG2-CD1 3.86Å
262K92Very high90.9Very high130 Ų13049 Ų4957%0.56524%0.244SC*.Hα-helixtrans-60.4-49175.7178.6-174.5173.7-1730111.2P258 L259 V260 C264 N265P258-K262 PolarHBondContact O-N 3.29Å; L259-K262 WeakPolarHBondContact O-CB 3.28Å; L259-K262 PolarHBondContact O-N 3.5Å; L259-K262 VanDerWaalsContact O-N 3.13Å; V260-K262 PolarHBondContact O-N 2.85Å; K262-C264 VanDerWaalsContact C-N 3.33Å; K262-C264 PolarHBondContact O-N 3.44Å; K262-N265 PolarHBondContact O-N 2.94Å
263F91.4Very high91.1Very high3 Ų348.2 Ų48.21%0.01324%0.242CC..Hα-helixtrans-68.9-30.7-179.8-69.9-61.3000113.2L222 N225 T231 I235 L259 V260 N265 V266 L271L222-F263 HydrophobicContact CD1-CD2 4.05Å; L222-F263 HydrophobicContact CD1-CE2 3.65Å; L222-F263 HydrophobicContact CD1-CZ 4.22Å; L222-F263 HydrophobicContact CD2-CE2 4.24Å; L222-F263 HydrophobicContact CG-CD2 4.31Å; L222-F263 HydrophobicContact CG-CE2 3.64Å; L222-F263 HydrophobicContact CG-CZ 4.35Å; L222-F263 WeakPolarHBondContact O-CZ 3.35Å; N225-F263 HydrophobicContact CB-CE1 4.34Å; N225-F263 HydrophobicContact CB-CZ 4.3Å; N225-F263 WeakPolarHBondContact OD1-CE1 3.43Å; T231-F263 HydrophobicContact CG2-CD1 3.62Å; T231-F263 HydrophobicContact CG2-CD2 4.34Å; T231-F263 HydrophobicContact CG2-CE1 3.65Å; T231-F263 HydrophobicContact CG2-CE2 4.4Å; T231-F263 HydrophobicContact CG2-CG 3.99Å; T231-F263 HydrophobicContact CG2-CZ 4.06Å; I235-F263 HydrophobicContact CD1-CB 3.87Å; I235-F263 HydrophobicContact CD1-CD2 4.13Å; I235-F263 HydrophobicContact CD1-CG 4.12Å; L259-F263 HydrophobicContact CB-CE2 4.31Å; L259-F263 WeakPolarHBondContact O-CD2 3.1Å; L259-F263 PolarHBondContact O-N 3.46Å; V260-F263 PolarHBondContact O-N 3.04Å; F263-N265 PolarHBondContact O-N 3.28Å; F263-N265 VanDerWaalsContact O-N 3.17Å; F263-V266 HydrophobicContact CD1-CG2 4.4Å; F263-V266 WeakPolarHBondContact O-CB 3.29Å; F263-V266 PolarHBondContact O-N 2.96Å; F263-V266 VanDerWaalsContact O-N 3.08Å; F263-L271 HydrophobicContact CB-CD1 4.39Å; F263-L271 HydrophobicContact CB-CD2 4.18Å; F263-L271 HydrophobicContact CB-CG 4.39Å; F263-L271 HydrophobicContact CD1-CD2 4.43Å
264C91.1Very high91.3Very high1 Ų149.4 Ų49.41%0.00725%0.246CC..Hα-helixtrans-64.3-18.1174.9-166.30000112.7V260 V261 K262 R272 C275 F279 Y304V260-C264 VanDerWaalsContact O-CB 3.25Å; V260-C264 WeakPolarHBondContact O-CB 3.41Å; V260-C264 PolarHBondContact O-N 3.08Å; V261-C264 PolarHBondContact O-N 3.48Å; K262-C264 VanDerWaalsContact C-N 3.33Å; K262-C264 PolarHBondContact O-N 3.44Å; C264-R272 WeakPolarHBondContact O-CG 3.21Å; C264-C275 HydrophobicContact CB-CB 3.69Å; C264-F279 HydrophobicContact CB-CE2 4.47Å; C264-Y304 PolarHBondContact O-OH 3.45Å; C264-Y304 WeakPolarHBondContact SG-CE2 3.4Å
265N88.5Confident91.5Very high89 Ų8942 Ų4248%0.47621%0.212SC..THydrogen-bonded Turntrans-94.6-0.8175.8-71.7-62.6000113.9V261 K262 F263 K303V261-N265 PolarHBondContact O-N 3.45Å; V261-N265 PolarHBondContact O-ND2 3.47Å; K262-N265 PolarHBondContact O-N 2.94Å; F263-N265 PolarHBondContact O-N 3.28Å; F263-N265 VanDerWaalsContact O-N 3.17Å; N265-K303 PolarHBondContact OD1-NZ 3.15Å
266V88.4Confident91.8Very high43 Ų4335 Ų3526%0.26118%0.181SC..SBendtrans-73.3147.1174.3176.50000109.5M228 F263 D268 L271 R272M228-V266 HydrophobicContact CE-CG1 3.56Å; M228-V266 HydrophobicContact SD-CG1 3.99Å; F263-V266 HydrophobicContact CD1-CG2 4.4Å; F263-V266 WeakPolarHBondContact O-CB 3.29Å; F263-V266 PolarHBondContact O-N 2.96Å; F263-V266 VanDerWaalsContact O-N 3.08Å; V266-D268 VanDerWaalsContact C-N 3.27Å; V266-D268 HydrophobicContact CG1-CB 4.35Å; V266-D268 PolarHBondContact O-N 2.93Å; V266-L271 HydrophobicContact CB-CD2 4Å; V266-L271 HydrophobicContact CG1-CD2 4.18Å; V266-L271 HydrophobicContact CG2-CD2 4.46Å; V266-R272 PolarHBondContact O-NE 3.17Å; V266-R272 VanDerWaalsContact O-NE 3.17Å; V266-R272 PolarHBondContact O-NH2 2.73Å
267D86.8Confident91.9Very high133 Ų13337.3 Ų37.371%0.71119%0.192SC*.SBendtrans-79.474.5-179.5-156.529.3000112.6R272D267-R272 IonicContact OD1-CZ 2.73Å; D267-R272 IonicContact OD1-NH1 3.23Å; D267-R272 PolarHBondContact OD1-NH1 3.19Å; D267-R272 VanDerWaalsContact OD1-NH1 3.1Å; D267-R272 IonicContact OD1-NH2 3.39Å; D267-R272 PolarHBondContact OD1-NH2 3.38Å
268D88.8Confident92Very high29 Ų2937.2 Ų37.216%0.15519%0.192CC..  trans-157.4108-177-17087.7000110.8R232 V266 E270 L271 R272R232-D268 IonicContact CZ-OD1 2.75Å; R232-D268 IonicContact CZ-OD2 3.24Å; R232-D268 VanDerWaalsContact CZ-OD2 3.22Å; R232-D268 IonicContact NE-OD1 3.1Å; R232-D268 IonicContact NE-OD2 2.73Å; R232-D268 PolarHBondContact NE-OD2 3.28Å; R232-D268 IonicContact NH2-OD1 2.84Å; R232-D268 PolarHBondContact NH2-OD1 3.28Å; R232-D268 IonicContact NH2-OD2 2.92Å; R232-D268 PolarHBondContact NH2-OD2 3.09Å; V266-D268 VanDerWaalsContact C-N 3.27Å; V266-D268 HydrophobicContact CG1-CB 4.35Å; V266-D268 PolarHBondContact O-N 2.93Å; D268-E270 PolarHBondContact O-N 3.48Å; D268-L271 HydrophobicContact CB-CB 3.85Å; D268-L271 HydrophobicContact CB-CD2 4.47Å; D268-L271 PolarHBondContact O-N 2.7Å; D268-L271 WeakPolarHBondContact OD2-CB 3.38Å; D268-L271 PolarHBondContact OD2-N 3.25Å; D268-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 PolarHBondContact O-N 3.35Å
269D90.1Very high92.1Very high34 Ų3433.8 Ų33.818%0.18217%0.169CC..Hα-helixtrans-66.4-38.9-170.9-74.5-12.1000113.8L271 R272 E273 Y307 M345 V349D269-L271 PolarHBondContact O-N 3.24Å; D269-R272 PolarHBondContact O-N 3Å; D269-R272 IonicContact OD1-CZ 2.61Å; D269-R272 IonicContact OD1-NH1 3.38Å; D269-R272 PolarHBondContact OD1-NH1 3.5Å; D269-E273 WeakPolarHBondContact O-CB 3.37Å; D269-E273 PolarHBondContact O-N 2.86Å; D269-Y307 WeakPolarHBondContact OD1-CE1 3.41Å; D269-Y307 PolarHBondContact OD1-OH 2.72Å; D269-M345 HydrophobicContact CB-CB 4.02Å; D269-V349 HydrophobicContact CB-CG2 3.91Å; D269-V349 VanDerWaalsContact O-CG2 3.26Å; D269-V349 WeakPolarHBondContact O-CG2 3.44Å
270E90.3Very high92.2Very high61 Ų6134 Ų3429%0.28517%0.169SC..Hα-helixtrans-62.7-42.5174.1-75.4-171-163.400112R232 D268 E273 Y274 M345R232-E270 IonicContact CZ-OE2 2.69Å; R232-E270 IonicContact NE-OE2 3.98Å; R232-E270 VanDerWaalsContact NH1-CD 3.33Å; R232-E270 IonicContact NH1-OE1 3.77Å; R232-E270 IonicContact NH1-OE2 3.83Å; R232-E270 PolarHBondContact NH1-OE2 3.19Å; D268-E270 PolarHBondContact O-N 3.48Å; E270-E273 PolarHBondContact O-N 3.03Å; E270-Y274 HydrophobicContact CB-CE2 4.19Å; E270-Y274 WeakPolarHBondContact O-CD2 3.37Å; E270-Y274 VanDerWaalsContact O-CG 3.3Å; E270-Y274 PolarHBondContact O-N 3.31Å; E270-M345 HydrophobicContact CG-CE 3.62Å
271L92.2Very high92.1Very high0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-64.2-43.2176.7-179.161.9000111.3M228 T231 R232 I235 F263 V266 D268 D269 Y274 C275M228-L271 HydrophobicContact CG-CD2 4.48Å; M228-L271 HydrophobicContact SD-CD2 3.56Å; M228-L271 VanDerWaalsContact SD-CD2 3.56Å; T231-L271 HydrophobicContact CG2-CD1 4.08Å; R232-L271 HydrophobicContact CG-CB 4.02Å; R232-L271 HydrophobicContact CG-CD1 3.96Å; I235-L271 HydrophobicContact CD1-CD1 3.39Å; F263-L271 HydrophobicContact CB-CD1 4.39Å; F263-L271 HydrophobicContact CB-CD2 4.18Å; F263-L271 HydrophobicContact CB-CG 4.39Å; F263-L271 HydrophobicContact CD1-CD2 4.43Å; V266-L271 HydrophobicContact CB-CD2 4Å; V266-L271 HydrophobicContact CG1-CD2 4.18Å; V266-L271 HydrophobicContact CG2-CD2 4.46Å; D268-L271 HydrophobicContact CB-CB 3.85Å; D268-L271 HydrophobicContact CB-CD2 4.47Å; D268-L271 PolarHBondContact O-N 2.7Å; D268-L271 WeakPolarHBondContact OD2-CB 3.38Å; D268-L271 PolarHBondContact OD2-N 3.25Å; D269-L271 PolarHBondContact O-N 3.24Å; L271-Y274 PolarHBondContact O-N 3.45Å; L271-C275 WeakPolarHBondContact O-CB 3.46Å; L271-C275 PolarHBondContact O-N 2.7Å; L271-C275 PolarHBondContact O-SG 3.21Å
272R93.7Very high92.1Very high17 Ų1732.7 Ų32.76%0.06416%0.162CC..Hα-helixtrans-57.4-48.7174.6-73.1170.9177.7141.5-2.5111.2C264 V266 D267 D268 D269 Y274 C275 I276 Y304 Y307 V349C264-R272 WeakPolarHBondContact O-CG 3.21Å; V266-R272 PolarHBondContact O-NE 3.17Å; V266-R272 VanDerWaalsContact O-NE 3.17Å; V266-R272 PolarHBondContact O-NH2 2.73Å; D267-R272 IonicContact OD1-CZ 2.73Å; D267-R272 IonicContact OD1-NH1 3.23Å; D267-R272 PolarHBondContact OD1-NH1 3.19Å; D267-R272 VanDerWaalsContact OD1-NH1 3.1Å; D267-R272 IonicContact OD1-NH2 3.39Å; D267-R272 PolarHBondContact OD1-NH2 3.38Å; D268-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 PolarHBondContact O-N 3.35Å; D269-R272 PolarHBondContact O-N 3Å; D269-R272 IonicContact OD1-CZ 2.61Å; D269-R272 IonicContact OD1-NH1 3.38Å; D269-R272 PolarHBondContact OD1-NH1 3.5Å; R272-Y274 PolarHBondContact O-N 3.39Å; R272-C275 WeakPolarHBondContact O-CB 3.41Å; R272-C275 PolarHBondContact O-N 2.63Å; R272-I276 WeakPolarHBondContact O-CG1 3.42Å; R272-I276 PolarHBondContact O-N 3.28Å; R272-Y304 HydrophobicContact CG-CE1 4.32Å; R272-Y304 PolarHBondContact NE-OH 3.42Å; R272-Y307 VanDerWaalsContact NH1-CZ 3.3Å; R272-Y307 PolarHBondContact NH1-OH 2.98Å; R272-V349 HydrophobicContact CB-CG1 3.99Å; R272-V349 HydrophobicContact CB-CG2 4.08Å
273E93.8Very high92Very high26 Ų2626.6 Ų26.612%0.12114%0.135CC..Hα-helixtrans-53.9-51.8175.8-176.9-16516500110.8D269 E270 C275 I276 Q277 K348 V349 A352D269-E273 WeakPolarHBondContact O-CB 3.37Å; D269-E273 PolarHBondContact O-N 2.86Å; E270-E273 PolarHBondContact O-N 3.03Å; E273-C275 PolarHBondContact O-N 2.96Å; E273-I276 PolarHBondContact O-N 3.34Å; E273-Q277 WeakPolarHBondContact O-CG 3.36Å; E273-Q277 PolarHBondContact O-N 3.22Å; E273-Q277 PolarHBondContact OE1-NE2 2.98Å; E273-K348 HydrophobicContact CG-CB 4.18Å; E273-K348 WeakPolarHBondContact OE2-CB 3.43Å; E273-V349 HydrophobicContact CB-CG2 4.42Å; E273-A352 HydrophobicContact CG-CB 4.23Å
274Y93.9Very high91.7Very high28 Ų2830.1 Ų30.111%0.1115%0.148CC..Hα-helixtrans-66.5-35-178.7-62-38.7000113.3R232 Q236 E270 L271 R272 A278R232-Y274 HydrophobicContact CB-CD2 3.96Å; R232-Y274 HydrophobicContact CB-CE2 4.16Å; R232-Y274 HydrophobicContact CG-CD2 4.2Å; R232-Y274 HydrophobicContact CG-CE2 4.42Å; Q236-Y274 HydrophobicContact CG-CD1 3.67Å; Q236-Y274 HydrophobicContact CG-CD2 3.81Å; Q236-Y274 HydrophobicContact CG-CE1 4.04Å; Q236-Y274 HydrophobicContact CG-CE2 4.17Å; Q236-Y274 HydrophobicContact CG-CG 3.56Å; Q236-Y274 PolarHBondContact NE2-OH 2.93Å; E270-Y274 HydrophobicContact CB-CE2 4.19Å; E270-Y274 WeakPolarHBondContact O-CD2 3.37Å; E270-Y274 VanDerWaalsContact O-CG 3.3Å; E270-Y274 PolarHBondContact O-N 3.31Å; L271-Y274 PolarHBondContact O-N 3.45Å; R272-Y274 PolarHBondContact O-N 3.39Å; Y274-A278 WeakPolarHBondContact O-CB 3.45Å; Y274-A278 PolarHBondContact O-N 3.46Å
275C95.6Very high91.2Very high0 Ų033.1 Ų33.10%016%0.16CC..Hα-helixtrans-60.7-45.5171.9-74.90000111.6V260 C264 L271 R272 E273 A278 F279V260-C275 HydrophobicContact CG1-CB 3.74Å; C264-C275 HydrophobicContact CB-CB 3.69Å; L271-C275 WeakPolarHBondContact O-CB 3.46Å; L271-C275 PolarHBondContact O-N 2.7Å; L271-C275 PolarHBondContact O-SG 3.21Å; R272-C275 WeakPolarHBondContact O-CB 3.41Å; R272-C275 PolarHBondContact O-N 2.63Å; E273-C275 PolarHBondContact O-N 2.96Å; C275-A278 WeakPolarHBondContact O-CB 3.35Å; C275-A278 PolarHBondContact O-N 3.34Å; C275-F279 WeakPolarHBondContact O-CD2 3.06Å; C275-F279 PolarHBondContact O-N 2.92Å
276I95.6Very high91Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-69.1-40-179.6-62.9167.3000111R272 E273 A278 F279 E280 Y304 V349 A352 A353 C356R272-I276 WeakPolarHBondContact O-CG1 3.42Å; R272-I276 PolarHBondContact O-N 3.28Å; E273-I276 PolarHBondContact O-N 3.34Å; I276-A278 PolarHBondContact O-N 2.86Å; I276-F279 WeakPolarHBondContact O-CB 3.26Å; I276-F279 PolarHBondContact O-N 3.3Å; I276-F279 VanDerWaalsContact O-N 3.15Å; I276-E280 PolarHBondContact O-N 3.32Å; I276-Y304 HydrophobicContact CD1-CD2 3.96Å; I276-Y304 HydrophobicContact CD1-CG 4.06Å; I276-V349 HydrophobicContact CD1-CG1 3.84Å; I276-A352 HydrophobicContact CB-CB 3.99Å; I276-A352 HydrophobicContact CG2-CB 3.79Å; I276-A352 VanDerWaalsContact CG2-O 3.32Å; I276-A352 WeakPolarHBondContact CG2-O 3.34Å; I276-A353 HydrophobicContact CD1-CB 4.45Å; I276-C356 HydrophobicContact CG2-CB 3.83Å
277Q94.6Very high90.4Very high49 Ų4927.3 Ų27.323%0.22913%0.128CC..Hα-helixtrans-62.3-31.1172.5-72.1176.96.900112.7E273 S281 A352E273-Q277 WeakPolarHBondContact O-CG 3.36Å; E273-Q277 PolarHBondContact O-N 3.22Å; E273-Q277 PolarHBondContact OE1-NE2 2.98Å; Q277-S281 PolarHBondContact O-N 3.08Å; Q277-S281 VanDerWaalsContact O-N 3.15Å; Q277-A352 HydrophobicContact CG-CB 4.27Å
278A94.4Very high90Very high0 Ų026.6 Ų26.60%012%0.118CC..Hα-helixtrans-67.9-45.6172.300000110.9I235 A239 V260 Y274 C275 I276 E280 S281 F282I235-A278 HydrophobicContact CG2-CB 4.26Å; A239-A278 HydrophobicContact CB-CB 3.91Å; V260-A278 HydrophobicContact CG1-CB 4.43Å; Y274-A278 WeakPolarHBondContact O-CB 3.45Å; Y274-A278 PolarHBondContact O-N 3.46Å; C275-A278 WeakPolarHBondContact O-CB 3.35Å; C275-A278 PolarHBondContact O-N 3.34Å; I276-A278 PolarHBondContact O-N 2.86Å; A278-E280 PolarHBondContact O-N 3.11Å; A278-S281 WeakPolarHBondContact O-CB 3.41Å; A278-S281 PolarHBondContact O-N 3.27Å; A278-S281 VanDerWaalsContact O-N 3.16Å; A278-F282 HydrophobicContact CB-CE2 4.02Å; A278-F282 HydrophobicContact CB-CZ 3.89Å; A278-F282 WeakPolarHBondContact O-CD1 3.49Å; A278-F282 VanDerWaalsContact O-CD2 3.3Å; A278-F282 WeakPolarHBondContact O-CD2 3.15Å; A278-F282 WeakPolarHBondContact O-CG 3.26Å; A278-F282 PolarHBondContact O-N 3.21Å
279F95.2Very high89.8Confident0 Ų028.7 Ų28.70%013%0.127CC..Hα-helixtrans-58.4-45.1173.8-63.6-40.7000112.3I257 V260 V261 C264 C275 I276 S281 F282 V283 I297 I300I257-F279 HydrophobicContact CG2-CE1 4.34Å; V260-F279 HydrophobicContact CB-CE1 3.85Å; V260-F279 HydrophobicContact CB-CZ 4.01Å; V260-F279 HydrophobicContact CG1-CD1 4.2Å; V260-F279 HydrophobicContact CG1-CE1 3.54Å; V260-F279 HydrophobicContact CG1-CE2 4.15Å; V260-F279 HydrophobicContact CG1-CZ 3.5Å; V261-F279 HydrophobicContact CB-CZ 4.5Å; V261-F279 HydrophobicContact CG2-CE1 4.15Å; V261-F279 HydrophobicContact CG2-CZ 3.66Å; C264-F279 HydrophobicContact CB-CE2 4.47Å; C275-F279 WeakPolarHBondContact O-CD2 3.06Å; C275-F279 PolarHBondContact O-N 2.92Å; I276-F279 WeakPolarHBondContact O-CB 3.26Å; I276-F279 PolarHBondContact O-N 3.3Å; I276-F279 VanDerWaalsContact O-N 3.15Å; F279-S281 VanDerWaalsContact C-N 3.27Å; F279-S281 PolarHBondContact O-N 3.24Å; F279-F282 HydrophobicContact CD1-CD2 4.03Å; F279-F282 HydrophobicContact CD1-CE2 4.25Å; F279-F282 PolarHBondContact O-N 3.37Å; F279-F282 VanDerWaalsContact O-N 3.11Å; F279-V283 WeakPolarHBondContact O-CG2 3.41Å; F279-V283 PolarHBondContact O-N 2.62Å; F279-I297 HydrophobicContact CB-CD1 4.23Å; F279-I297 HydrophobicContact CB-CG1 4.27Å; F279-I297 HydrophobicContact CB-CG2 3.91Å; F279-I297 HydrophobicContact CD1-CD1 4.09Å; F279-I297 HydrophobicContact CD1-CG1 3.98Å; F279-I297 HydrophobicContact CE1-CG1 4.48Å; F279-I297 HydrophobicContact CG-CD1 4.33Å; F279-I297 HydrophobicContact CG-CG1 4.03Å; F279-I297 HydrophobicContact CG-CG2 4.32Å; F279-I300 HydrophobicContact CE2-CD1 4Å; F279-I300 HydrophobicContact CE2-CG2 4.23Å; F279-I300 HydrophobicContact CZ-CD1 4.24Å
280E93.4Very high89.8Confident38 Ų3827 Ų2718%0.17812%0.118CC..Hα-helixtrans-53.8-47.2174.8-172.8-154.9158.200110.8I276 A278 V283 R284 C356 A359I276-E280 PolarHBondContact O-N 3.32Å; A278-E280 PolarHBondContact O-N 3.11Å; E280-V283 PolarHBondContact O-N 3.4Å; E280-R284 WeakPolarHBondContact O-CG 3.46Å; E280-R284 PolarHBondContact O-N 3Å; E280-R284 IonicContact OE1-CZ 2.65Å; E280-R284 IonicContact OE1-NE 3.22Å; E280-R284 PolarHBondContact OE1-NE 3.19Å; E280-R284 IonicContact OE1-NH2 2.77Å; E280-C356 HydrophobicContact CB-CB 4.12Å; E280-A359 HydrophobicContact CG-CB 3.89Å
281S90.5Very high89.6Confident6 Ų630.2 Ų30.24%0.04213%0.128CC..Hα-helixtrans-61.7-45.5176.5-172.60000112.1A239 S242 R243 Q277 A278 F279 V283 R284 R285A239-S281 PolarHBondContact O-OG 3.06Å; S242-S281 VanDerWaalsContact CB-OG 3.3Å; S242-S281 WeakPolarHBondContact CB-OG 3.18Å; S242-S281 PolarHBondContact OG-OG 2.82Å; R243-S281 VanDerWaalsContact CG-OG 3.25Å; R243-S281 WeakPolarHBondContact CG-OG 3.18Å; R243-S281 PolarHBondContact N-OG 3.34Å; Q277-S281 PolarHBondContact O-N 3.08Å; Q277-S281 VanDerWaalsContact O-N 3.15Å; A278-S281 WeakPolarHBondContact O-CB 3.41Å; A278-S281 PolarHBondContact O-N 3.27Å; A278-S281 VanDerWaalsContact O-N 3.16Å; F279-S281 VanDerWaalsContact C-N 3.27Å; F279-S281 PolarHBondContact O-N 3.24Å; S281-V283 VanDerWaalsContact C-N 3.32Å; S281-V283 PolarHBondContact O-N 2.98Å; S281-R284 PolarHBondContact O-N 2.79Å; S281-R285 WeakPolarHBondContact O-CB 3.32Å; S281-R285 WeakPolarHBondContact O-CG 3.42Å; S281-R285 PolarHBondContact O-N 2.86Å
282F93.1Very high89.5Confident0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-61.9-41.2179-54.3-30000111.7I238 S242 L253 I256 I257 V260 A278 F279 R285 C286 V290I238-F282 HydrophobicContact CG2-CE1 3.99Å; I238-F282 HydrophobicContact CG2-CZ 3.73Å; S242-F282 WeakPolarHBondContact OG-CD1 3.42Å; L253-F282 HydrophobicContact CD2-CB 4.43Å; L253-F282 HydrophobicContact CD2-CD1 3.73Å; L253-F282 HydrophobicContact CD2-CD2 4.16Å; L253-F282 HydrophobicContact CD2-CE1 3.99Å; L253-F282 HydrophobicContact CD2-CE2 4.39Å; L253-F282 HydrophobicContact CD2-CG 3.85Å; L253-F282 HydrophobicContact CD2-CZ 4.31Å; I256-F282 HydrophobicContact CG2-CE2 4.14Å; I256-F282 HydrophobicContact CG2-CZ 3.79Å; I257-F282 HydrophobicContact CG1-CD2 4.19Å; I257-F282 HydrophobicContact CG1-CE2 4.39Å; V260-F282 HydrophobicContact CG2-CE2 4.4Å; A278-F282 HydrophobicContact CB-CE2 4.02Å; A278-F282 HydrophobicContact CB-CZ 3.89Å; A278-F282 WeakPolarHBondContact O-CD1 3.49Å; A278-F282 VanDerWaalsContact O-CD2 3.3Å; A278-F282 WeakPolarHBondContact O-CD2 3.15Å; A278-F282 WeakPolarHBondContact O-CG 3.26Å; A278-F282 PolarHBondContact O-N 3.21Å; F279-F282 HydrophobicContact CD1-CD2 4.03Å; F279-F282 HydrophobicContact CD1-CE2 4.25Å; F279-F282 PolarHBondContact O-N 3.37Å; F279-F282 VanDerWaalsContact O-N 3.11Å; F282-R285 PolarHBondContact O-N 2.94Å; F282-C286 CarbonylContact O-C 3.42Å; F282-C286 WeakPolarHBondContact O-CA 3.37Å; F282-C286 WeakPolarHBondContact O-CB 3.48Å; F282-C286 PolarHBondContact O-N 3.45Å; F282-V290 HydrophobicContact CB-CG2 4.11Å
283V89.6Confident89.4Confident1 Ų136.2 Ų36.21%0.00617%0.166CC..Hα-helixtrans-62.1-46.3177.3170.90000111.5F279 E280 S281 V290 I297 A359 V360 T363F279-V283 WeakPolarHBondContact O-CG2 3.41Å; F279-V283 PolarHBondContact O-N 2.62Å; E280-V283 PolarHBondContact O-N 3.4Å; S281-V283 VanDerWaalsContact C-N 3.32Å; S281-V283 PolarHBondContact O-N 2.98Å; V283-V290 HydrophobicContact CG2-CG2 4.48Å; V283-I297 HydrophobicContact CG2-CD1 4.08Å; V283-I297 HydrophobicContact CG2-CG2 4.45Å; V283-A359 HydrophobicContact CG1-CB 4.07Å; V283-V360 HydrophobicContact CB-CG2 4.41Å; V283-V360 HydrophobicContact CG1-CB 4.34Å; V283-V360 HydrophobicContact CG1-CG2 3.76Å; V283-V360 HydrophobicContact CG2-CG2 3.88Å; V283-T363 WeakPolarHBondContact CG1-OG1 3.25Å
284R85.3Confident89.3Confident77 Ų7735.1 Ų35.129%0.29116%0.161SC..Hα-helixtrans-72-32.4-179.9-65-172.6-171.1-82.8-0.3113.1E280 S281 D358 A359E280-R284 WeakPolarHBondContact O-CG 3.46Å; E280-R284 PolarHBondContact O-N 3Å; E280-R284 IonicContact OE1-CZ 2.65Å; E280-R284 IonicContact OE1-NE 3.22Å; E280-R284 PolarHBondContact OE1-NE 3.19Å; E280-R284 IonicContact OE1-NH2 2.77Å; S281-R284 PolarHBondContact O-N 2.79Å; R284-D358 IonicContact CZ-OD2 3.04Å; R284-D358 IonicContact NH1-OD2 2.76Å; R284-D358 IonicContact NH2-OD2 3.86Å; R284-D358 PolarHBondContact NH2-OD2 3.08Å; R284-A359 HydrophobicContact CG-CB 3.68Å; R284-A359 VanDerWaalsContact CZ-CB 3.46Å
285R82.3Confident89.2Confident65 Ų6536.4 Ų36.425%0.24517%0.174CC..Hα-helixtrans-108.4-22.8-166.9-56.8-59.8-174.4-173.311.1115.7S242 S281 F282 P287 E1188S242-R285 WeakPolarHBondContact O-CG 3.48Å; S281-R285 WeakPolarHBondContact O-CB 3.32Å; S281-R285 WeakPolarHBondContact O-CG 3.42Å; S281-R285 PolarHBondContact O-N 2.86Å; F282-R285 PolarHBondContact O-N 2.94Å; R285-P287 VanDerWaalsContact C-CD 3.43Å; R285-E1188 IonicContact CZ-OE1 2.74Å; R285-E1188 IonicContact CZ-OE2 2.69Å; R285-E1188 IonicContact NH1-OE1 2.65Å; R285-E1188 IonicContact NH1-OE2 3.76Å; R285-E1188 PolarHBondContact NH1-OE2 3.37Å; R285-E1188 IonicContact NH2-OE1 3.62Å; R285-E1188 PolarHBondContact NH2-OE1 3.31Å; R285-E1188 IonicContact NH2-OE2 3.04Å; R285-E1188 PolarHBondContact NH2-OE2 3.39Å
286C83.1Confident89.1Confident1 Ų139.3 Ų39.31%0.00719%0.192CC..  trans-133.352.2-175.8-49.20000111.1G246 L253 F282 K288 E289 V290G246-C286 PolarHBondContact O-SG 3.47Å; L253-C286 HydrophobicContact CD1-CB 3.44Å; L253-C286 VanDerWaalsContact CD1-CB 3.44Å; F282-C286 CarbonylContact O-C 3.42Å; F282-C286 WeakPolarHBondContact O-CA 3.37Å; F282-C286 WeakPolarHBondContact O-CB 3.48Å; F282-C286 PolarHBondContact O-N 3.45Å; C286-K288 VanDerWaalsContact C-N 3.33Å; C286-K288 PolarHBondContact O-N 3.16Å; C286-E289 PolarHBondContact O-N 3.41Å; C286-V290 WeakPolarHBondContact O-CB 3.31Å; C286-V290 WeakPolarHBondContact O-CG1 3.17Å; C286-V290 PolarHBondContact O-N 3.48Å
287P76.6Confident89Confident8 Ų839.3 Ų39.35%0.05219%0.192CC..Hα-helixtrans-64.5-33.1-167.223.5-35.2000115R285 V290 Y291 R364 F1103 Q1140R285-P287 VanDerWaalsContact C-CD 3.43Å; P287-V290 WeakPolarHBondContact O-CG1 2.87Å; P287-Y291 PolarHBondContact O-N 3.39Å; P287-R364 VanDerWaalsContact C-NH2 3.26Å; P287-R364 PolarHBondContact O-NH2 2.73Å; P287-F1103 HydrophobicContact CG-CE2 4.49Å; P287-F1103 HydrophobicContact CG-CZ 3.95Å; P287-Q1140 VanDerWaalsContact CD-NE2 3.28Å; P287-Q1140 VanDerWaalsContact CG-CD 3.43Å
288K78.8Confident89Confident118 Ų11837.1 Ų37.151%0.51318%0.182SC..Hα-helixtrans-69.9-49.7178.1-176.4-178.9178.1-179.60110.7C286 V290 Y291 F1103C286-K288 VanDerWaalsContact C-N 3.33Å; C286-K288 PolarHBondContact O-N 3.16Å; K288-V290 PolarHBondContact O-N 3.05Å; K288-Y291 VanDerWaalsContact O-CB 3.29Å; K288-Y291 WeakPolarHBondContact O-CB 3.31Å; K288-Y291 PolarHBondContact O-N 3.02Å; K288-F1103 HydrophobicContact CB-CE2 4.39Å
289E84.3Confident89.1Confident73 Ų7342.2 Ų42.234%0.34121%0.209SC..Hα-helixtrans-72.1-30.3-174-61.575.5-162.100112.1L253 C286 Y291 P292L253-E289 HydrophobicContact CD1-CB 3.99Å; C286-E289 PolarHBondContact O-N 3.41Å; E289-Y291 VanDerWaalsContact C-N 3.34Å; E289-P292 WeakPolarHBondContact O-CD 3.32Å
290V88.7Confident89Confident0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-78.3-16.7176.878.90000113L253 I257 F282 V283 C286 P287 K288 P292 H293 V294 I297L253-V290 HydrophobicContact CD1-CB 4.41Å; I257-V290 HydrophobicContact CD1-CG2 3.99Å; F282-V290 HydrophobicContact CB-CG2 4.11Å; V283-V290 HydrophobicContact CG2-CG2 4.48Å; C286-V290 WeakPolarHBondContact O-CB 3.31Å; C286-V290 WeakPolarHBondContact O-CG1 3.17Å; C286-V290 PolarHBondContact O-N 3.48Å; P287-V290 WeakPolarHBondContact O-CG1 2.87Å; K288-V290 PolarHBondContact O-N 3.05Å; V290-P292 VanDerWaalsContact C-CD 3.41Å; V290-H293 WeakPolarHBondContact O-CA 3.42Å; V290-H293 WeakPolarHBondContact O-CB 3.29Å; V290-H293 PolarHBondContact O-N 3.33Å; V290-V294 HydrophobicContact CG1-CG2 4.09Å; V290-V294 PolarHBondContact O-N 3.28Å; V290-I297 HydrophobicContact CG2-CD1 3.59Å
291Y87Confident89.1Confident127 Ų12741.2 Ų41.250%0.49821%0.205SC..G310 helixtrans-46.9-47.5-173.3-176.2-91.4000114.1P287 K288 E289 H293 V294P287-Y291 PolarHBondContact O-N 3.39Å; K288-Y291 VanDerWaalsContact O-CB 3.29Å; K288-Y291 WeakPolarHBondContact O-CB 3.31Å; K288-Y291 PolarHBondContact O-N 3.02Å; E289-Y291 VanDerWaalsContact C-N 3.34Å; Y291-H293 PolarHBondContact O-N 2.87Å; Y291-V294 PolarHBondContact O-N 3.31Å; Y291-V294 VanDerWaalsContact O-N 3.13Å
292P90.4Very high89.3Confident101 Ų10142.6 Ų42.666%0.65621%0.211SC*.G310 helixtrans-61.6-17.6179.2-21.534.5000114.5E289 V290E289-P292 WeakPolarHBondContact O-CD 3.32Å; V290-P292 VanDerWaalsContact C-CD 3.41Å
293H91.5Very high89.4Confident43 Ų4348 Ų4820%0.19924%0.235CC..G310 helixtrans-107.5-3.1-177.4-59.1-73.1000113.4I257 V290 Y291 S295 T296 I297I257-H293 HydrophobicContact CD1-CB 3.97Å; I257-H293 VanDerWaalsContact CD1-CD2 3.45Å; I257-H293 WeakPolarHBondContact CD1-CD2 3.38Å; I257-H293 HydrophobicContact CG2-CB 4.02Å; V290-H293 WeakPolarHBondContact O-CA 3.42Å; V290-H293 WeakPolarHBondContact O-CB 3.29Å; V290-H293 PolarHBondContact O-N 3.33Å; Y291-H293 PolarHBondContact O-N 2.87Å; H293-S295 PolarHBondContact O-N 2.71Å; H293-T296 WeakPolarHBondContact O-CB 3.3Å; H293-T296 PolarHBondContact O-N 3.35Å; H293-T296 VanDerWaalsContact O-N 3.1Å; H293-I297 WeakPolarHBondContact O-CG1 3.39Å; H293-I297 PolarHBondContact O-N 3.33Å
294V91Very high89.6Confident2 Ų248.1 Ų48.11%0.01224%0.235CC..Hα-helixtrans-58.9-47.1-175.4170.30000111.7V290 Y291 T296 I297 I298 V360 M367V290-V294 HydrophobicContact CG1-CG2 4.09Å; V290-V294 PolarHBondContact O-N 3.28Å; Y291-V294 PolarHBondContact O-N 3.31Å; Y291-V294 VanDerWaalsContact O-N 3.13Å; V294-T296 VanDerWaalsContact C-N 3.25Å; V294-T296 PolarHBondContact O-N 2.92Å; V294-I297 WeakPolarHBondContact O-CB 3.14Å; V294-I297 PolarHBondContact O-N 2.88Å; V294-I298 HydrophobicContact CG1-CD1 3.77Å; V294-I298 HydrophobicContact CG1-CG1 4.24Å; V294-I298 WeakPolarHBondContact O-CG1 3.45Å; V294-I298 PolarHBondContact O-N 2.81Å; V294-V360 HydrophobicContact CG1-CG1 4.11Å; V294-M367 HydrophobicContact CG1-CE 4.11Å; V294-M367 HydrophobicContact CG1-SD 3.79Å
295S92.7Very high89.9Confident56 Ų5644.5 Ų44.539%0.39222%0.222SC..Hα-helixtrans-60.1-36.2177.7-49.90000112.3H293 I298 N299H293-S295 PolarHBondContact O-N 2.71Å; S295-I298 PolarHBondContact O-N 3.26Å; S295-N299 WeakPolarHBondContact O-CB 3.39Å; S295-N299 VanDerWaalsContact O-CG 3.27Å; S295-N299 PolarHBondContact O-N 3.5Å; S295-N299 PolarHBondContact O-ND2 3.44Å; S295-N299 VanDerWaalsContact O-ND2 3.11Å
296T92.9Very high90.3Very high60 Ų6044.7 Ų44.737%0.36823%0.23SC..Hα-helixtrans-65.1-43.9174-56.70000111.3V261 H293 V294 N299 I300V261-T296 HydrophobicContact CG2-CG2 4.32Å; H293-T296 WeakPolarHBondContact O-CB 3.3Å; H293-T296 PolarHBondContact O-N 3.35Å; H293-T296 VanDerWaalsContact O-N 3.1Å; V294-T296 VanDerWaalsContact C-N 3.25Å; V294-T296 PolarHBondContact O-N 2.92Å; T296-N299 PolarHBondContact O-N 3.08Å; T296-I300 HydrophobicContact CG2-CD1 4.06Å; T296-I300 VanDerWaalsContact O-CG1 3.3Å; T296-I300 WeakPolarHBondContact O-CG1 3.42Å; T296-I300 PolarHBondContact O-N 2.73Å
297I94.7Very high90.6Very high1 Ų147 Ų471%0.00524%0.239CC..Hα-helixtrans-63.3-43.9177.2-66.8168.7000110.5F279 V283 V290 H293 V294 N299 I300 C301F279-I297 HydrophobicContact CB-CD1 4.23Å; F279-I297 HydrophobicContact CB-CG1 4.27Å; F279-I297 HydrophobicContact CB-CG2 3.91Å; F279-I297 HydrophobicContact CD1-CD1 4.09Å; F279-I297 HydrophobicContact CD1-CG1 3.98Å; F279-I297 HydrophobicContact CE1-CG1 4.48Å; F279-I297 HydrophobicContact CG-CD1 4.33Å; F279-I297 HydrophobicContact CG-CG1 4.03Å; F279-I297 HydrophobicContact CG-CG2 4.32Å; V283-I297 HydrophobicContact CG2-CD1 4.08Å; V283-I297 HydrophobicContact CG2-CG2 4.45Å; V290-I297 HydrophobicContact CG2-CD1 3.59Å; H293-I297 WeakPolarHBondContact O-CG1 3.39Å; H293-I297 PolarHBondContact O-N 3.33Å; V294-I297 WeakPolarHBondContact O-CB 3.14Å; V294-I297 PolarHBondContact O-N 2.88Å; I297-N299 PolarHBondContact O-N 3.15Å; I297-I300 PolarHBondContact O-N 3.43Å; I297-C301 WeakPolarHBondContact O-CB 3.43Å; I297-C301 PolarHBondContact O-N 3.07Å; I297-C301 PolarHBondContact O-SG 2.99Å
298I94.5Very high91.1Very high3 Ų347.4 Ų47.42%0.01524%0.241CC..Hα-helixtrans-57.6-51175.8-68.5168.8000109.9V294 S295 I300 C301 L302 L357 V360 M367 F371 V375V294-I298 HydrophobicContact CG1-CD1 3.77Å; V294-I298 HydrophobicContact CG1-CG1 4.24Å; V294-I298 WeakPolarHBondContact O-CG1 3.45Å; V294-I298 PolarHBondContact O-N 2.81Å; S295-I298 PolarHBondContact O-N 3.26Å; I298-I300 VanDerWaalsContact C-N 3.31Å; I298-I300 PolarHBondContact O-N 2.64Å; I298-C301 PolarHBondContact O-N 2.88Å; I298-C301 VanDerWaalsContact O-N 3.12Å; I298-L302 HydrophobicContact CG2-CD1 3.71Å; I298-L302 HydrophobicContact CG2-CG 4.09Å; I298-L302 WeakPolarHBondContact O-CB 3.14Å; I298-L302 VanDerWaalsContact O-CG 3.29Å; I298-L302 WeakPolarHBondContact O-CG 3.48Å; I298-L302 PolarHBondContact O-N 3.34Å; I298-L357 HydrophobicContact CG2-CD2 4.49Å; I298-V360 HydrophobicContact CD1-CG1 4Å; I298-V360 HydrophobicContact CG1-CG1 4.03Å; I298-M367 HydrophobicContact CD1-CE 4.17Å; I298-F371 HydrophobicContact CD1-CD1 4.48Å; I298-F371 HydrophobicContact CD1-CE1 3.87Å; I298-V375 HydrophobicContact CG2-CG2 4.03Å
299N94.6Very high91.2Very high107 Ų10745.3 Ų45.357%0.57224%0.239SC*.Hα-helixtrans-58.7-41.3179.3-73.8-33.1000112.8S295 T296 I297 K303S295-N299 WeakPolarHBondContact O-CB 3.39Å; S295-N299 VanDerWaalsContact O-CG 3.27Å; S295-N299 PolarHBondContact O-N 3.5Å; S295-N299 PolarHBondContact O-ND2 3.44Å; S295-N299 VanDerWaalsContact O-ND2 3.11Å; T296-N299 PolarHBondContact O-N 3.08Å; I297-N299 PolarHBondContact O-N 3.15Å; N299-K303 WeakPolarHBondContact O-CB 3.39Å; N299-K303 PolarHBondContact O-N 3.41Å
300I94.4Very high90.9Very high17 Ų1746.4 Ų46.49%0.08725%0.247CC..Hα-helixtrans-63.7-46.4175.3-70.6169.8000110.6V261 F279 T296 I297 I298 K303 Y304V261-I300 HydrophobicContact CB-CD1 4.43Å; V261-I300 HydrophobicContact CG1-CD1 4.08Å; V261-I300 HydrophobicContact CG2-CD1 3.86Å; F279-I300 HydrophobicContact CE2-CD1 4Å; F279-I300 HydrophobicContact CE2-CG2 4.23Å; F279-I300 HydrophobicContact CZ-CD1 4.24Å; T296-I300 HydrophobicContact CG2-CD1 4.06Å; T296-I300 VanDerWaalsContact O-CG1 3.3Å; T296-I300 WeakPolarHBondContact O-CG1 3.42Å; T296-I300 PolarHBondContact O-N 2.73Å; I297-I300 PolarHBondContact O-N 3.43Å; I298-I300 VanDerWaalsContact C-N 3.31Å; I298-I300 PolarHBondContact O-N 2.64Å; I300-K303 PolarHBondContact O-N 2.92Å; I300-Y304 HydrophobicContact CG2-CD2 3.67Å; I300-Y304 HydrophobicContact CG2-CE2 3.92Å; I300-Y304 VanDerWaalsContact O-CD2 3.29Å; I300-Y304 WeakPolarHBondContact O-CD2 3.3Å; I300-Y304 PolarHBondContact O-N 3.04Å
301C95.6Very high90.3Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-65.7-41.5-179.9-63.50000111.4I297 I298 K303 Y304 L305 A353 C356 L357I297-C301 WeakPolarHBondContact O-CB 3.43Å; I297-C301 PolarHBondContact O-N 3.07Å; I297-C301 PolarHBondContact O-SG 2.99Å; I298-C301 PolarHBondContact O-N 2.88Å; I298-C301 VanDerWaalsContact O-N 3.12Å; C301-K303 PolarHBondContact O-N 3.2Å; C301-Y304 CarbonylContact O-C 3.53Å; C301-Y304 PolarHBondContact O-N 2.92Å; C301-L305 WeakPolarHBondContact O-CB 3.44Å; C301-L305 PolarHBondContact O-N 2.99Å; C301-A353 HydrophobicContact CB-CB 4.26Å; C301-A353 WeakPolarHBondContact O-CB 3.46Å; C301-C356 VanDerWaalsContact SG-CB 3.6Å; C301-L357 HydrophobicContact CB-CD1 4.28Å; C301-L357 HydrophobicContact CB-CD2 3.8Å; C301-L357 HydrophobicContact CB-CG 3.74Å
302L94.7Very high89.4Confident34 Ų3451.3 Ų51.318%0.17827%0.274CS..Hα-helixtrans-61.9-41.8175.8-68.6176.9000111.9I298 L357 A378I298-L302 HydrophobicContact CG2-CD1 3.71Å; I298-L302 HydrophobicContact CG2-CG 4.09Å; I298-L302 WeakPolarHBondContact O-CB 3.14Å; I298-L302 VanDerWaalsContact O-CG 3.29Å; I298-L302 WeakPolarHBondContact O-CG 3.48Å; I298-L302 PolarHBondContact O-N 3.34Å; L302-L357 HydrophobicContact CD2-CD1 4.11Å; L302-L357 HydrophobicContact CD2-CD2 4.49Å; L302-A378 HydrophobicContact CD2-CB 3.51Å
303K93.7Very high88.2Confident113 Ų11348.9 Ų48.949%0.49125%0.253SS..Hα-helixtrans-60.5-47173.8178.3-171.8175.4-169.20111.8N265 N299 I300 C301 T306N265-K303 PolarHBondContact OD1-NZ 3.15Å; N299-K303 WeakPolarHBondContact O-CB 3.39Å; N299-K303 PolarHBondContact O-N 3.41Å; I300-K303 PolarHBondContact O-N 2.92Å; C301-K303 PolarHBondContact O-N 3.2Å; K303-T306 PolarHBondContact O-OG1 3.39Å; K303-T306 VanDerWaalsContact O-OG1 3.14Å
304Y93.9Very high86.3Confident4 Ų452.2 Ų52.22%0.01627%0.272CS..Hα-helixtrans-83.2-14.4-175.7-76.3-57.8000114.2C264 R272 I276 I300 C301 T306 Y307 V349 R350C264-Y304 PolarHBondContact O-OH 3.45Å; C264-Y304 WeakPolarHBondContact SG-CE2 3.4Å; R272-Y304 HydrophobicContact CG-CE1 4.32Å; R272-Y304 PolarHBondContact NE-OH 3.42Å; I276-Y304 HydrophobicContact CD1-CD2 3.96Å; I276-Y304 HydrophobicContact CD1-CG 4.06Å; I300-Y304 HydrophobicContact CG2-CD2 3.67Å; I300-Y304 HydrophobicContact CG2-CE2 3.92Å; I300-Y304 VanDerWaalsContact O-CD2 3.29Å; I300-Y304 WeakPolarHBondContact O-CD2 3.3Å; I300-Y304 PolarHBondContact O-N 3.04Å; C301-Y304 CarbonylContact O-C 3.53Å; C301-Y304 PolarHBondContact O-N 2.92Å; Y304-T306 PolarHBondContact O-N 3.48Å; Y304-Y307 HydrophobicContact CD1-CD1 4.44Å; Y304-Y307 HydrophobicContact CD1-CD2 4.29Å; Y304-Y307 AromaticContact CD1-CG 3.93Å; Y304-Y307 HydrophobicContact CD1-CG 3.93Å; Y304-Y307 HydrophobicContact CE1-CD2 4.35Å; Y304-Y307 HydrophobicContact CE1-CG 4.38Å; Y304-Y307 WeakPolarHBondContact O-CB 3.32Å; Y304-Y307 PolarHBondContact O-N 3.4Å; Y304-V349 HydrophobicContact CD1-CG1 3.84Å; Y304-V349 HydrophobicContact CG-CG1 4Å; Y304-R350 WeakPolarHBondContact O-CG 3.48Å
305L92.9Very high84.1Confident2 Ų258.8 Ų58.81%0.0131%0.307CS..Hα-helixtrans-64.6-30.7170.1-17370.4000111.3C301 R350 A353 A354 L357 L379 R382 V394C301-L305 WeakPolarHBondContact O-CB 3.44Å; C301-L305 PolarHBondContact O-N 2.99Å; L305-R350 WeakPolarHBondContact O-CD 3.27Å; L305-A353 HydrophobicContact CB-CB 4.35Å; L305-A354 HydrophobicContact CD1-CB 3.98Å; L305-L357 HydrophobicContact CD2-CD1 4.12Å; L305-L379 HydrophobicContact CD2-CD2 4.17Å; L305-R382 HydrophobicContact CD2-CG 3.93Å; L305-R382 HydrophobicContact CG-CG 4.03Å; L305-V394 HydrophobicContact CD1-CG2 4.05Å
306T90.3Very high81.9Confident69 Ų6965.4 Ų65.442%0.42333%0.331SS..THydrogen-bonded Turntrans-98.79.917764.90000113.2K303 Y304 D308K303-T306 PolarHBondContact O-OG1 3.39Å; K303-T306 VanDerWaalsContact O-OG1 3.14Å; Y304-T306 PolarHBondContact O-N 3.48Å; T306-D308 PolarHBondContact O-N 3.22Å; T306-D308 VanDerWaalsContact O-N 3.08Å
307Y89.3Confident79.7Confident50 Ų5066.9 Ų66.920%0.19634%0.337CS..  trans-7992.9-177.9-178-102.4000110.7D269 R272 Y304 P309 V349 R350D269-Y307 WeakPolarHBondContact OD1-CE1 3.41Å; D269-Y307 PolarHBondContact OD1-OH 2.72Å; R272-Y307 VanDerWaalsContact NH1-CZ 3.3Å; R272-Y307 PolarHBondContact NH1-OH 2.98Å; Y304-Y307 HydrophobicContact CD1-CD1 4.44Å; Y304-Y307 HydrophobicContact CD1-CD2 4.29Å; Y304-Y307 AromaticContact CD1-CG 3.93Å; Y304-Y307 HydrophobicContact CD1-CG 3.93Å; Y304-Y307 HydrophobicContact CE1-CD2 4.35Å; Y304-Y307 HydrophobicContact CE1-CG 4.38Å; Y304-Y307 WeakPolarHBondContact O-CB 3.32Å; Y304-Y307 PolarHBondContact O-N 3.4Å; Y307-P309 HydrophobicContact CE1-CG 3.99Å; Y307-P309 HydrophobicContact CE2-CG 4.36Å; Y307-V349 HydrophobicContact CD1-CB 4.38Å; Y307-V349 HydrophobicContact CD1-CG1 4.36Å; Y307-R350 VanDerWaalsContact O-CD 3.31Å; Y307-R350 WeakPolarHBondContact O-CD 3.5Å; Y307-R350 WeakPolarHBondContact O-CG 3.32Å; Y307-R350 PolarHBondContact O-NH1 2.93Å
308D86.4Confident77Confident15 Ų1574.7 Ų74.78%0.0837%0.374CS..  trans-13277.9173.5-159.5-14.2000108.9T306 N310 Y311 R350 R386T306-D308 PolarHBondContact O-N 3.22Å; T306-D308 VanDerWaalsContact O-N 3.08Å; D308-N310 PolarHBondContact O-N 3Å; D308-N310 VanDerWaalsContact O-N 3.11Å; D308-Y311 PolarHBondContact O-N 3.07Å; D308-Y311 PolarHBondContact OD1-N 3.35Å; D308-Y311 WeakPolarHBondContact OD2-CB 3.36Å; D308-R350 VanDerWaalsContact CG-NH1 3.33Å; D308-R350 IonicContact OD1-NH1 3.78Å; D308-R350 IonicContact OD1-NH2 2.98Å; D308-R350 IonicContact OD2-CZ 2.96Å; D308-R350 IonicContact OD2-NH1 3.65Å; D308-R350 IonicContact OD2-NH2 2.89Å; D308-R350 PolarHBondContact OD2-NH2 3.28Å; D308-R350 VanDerWaalsContact OD2-NH2 3.16Å; D308-R386 IonicContact OD1-CZ 2.62Å; D308-R386 IonicContact OD1-NE 2.82Å; D308-R386 IonicContact OD1-NH2 2.73Å; D308-R386 PolarHBondContact OD1-NH2 3.48Å; D308-R386 IonicContact OD2-CZ 3.18Å; D308-R386 IonicContact OD2-NE 3.41Å; D308-R386 PolarHBondContact OD2-NE 3.31Å; D308-R386 IonicContact OD2-NH2 2.94Å; D308-R386 PolarHBondContact OD2-NH2 3.25Å
309P81.8Confident74.4Confident74 Ų7481.8 Ų81.848%0.48141%0.412SS..THydrogen-bonded Turntrans-62.2-18.8-176.627.6-35.8000113Y307Y307-P309 HydrophobicContact CE1-CG 3.99Å; Y307-P309 HydrophobicContact CE2-CG 4.36Å
310N78.8Confident71.6Confident96 Ų9684.5 Ų84.551%0.51342%0.421SS..THydrogen-bonded Turntrans-97.1-4-176.6-60.7-30.6000113.3D308 D344D308-N310 PolarHBondContact O-N 3Å; D308-N310 VanDerWaalsContact O-N 3.11Å; N310-D344 PolarHBondContact ND2-OD1 2.97Å; N310-D344 PolarHBondContact ND2-OD2 3.05Å
311Y76.3Confident68.7Low117 Ų11790.3 Ų90.346%0.45945%0.452SS..  trans-143.8121.2-176.9-166.2-92.4000111.4D308 Y313D308-Y311 PolarHBondContact O-N 3.07Å; D308-Y311 PolarHBondContact OD1-N 3.35Å; D308-Y311 WeakPolarHBondContact OD2-CB 3.36Å; Y311-Y313 AromaticContact CD1-CD2 4Å; Y311-Y313 HydrophobicContact CD1-CD2 4Å; Y311-Y313 AromaticContact CD1-CE2 3.96Å; Y311-Y313 HydrophobicContact CD1-CE2 3.96Å; Y311-Y313 HydrophobicContact CD1-CG 4.37Å; Y311-Y313 HydrophobicContact CE1-CD1 4.16Å; Y311-Y313 HydrophobicContact CE1-CD2 4.26Å; Y311-Y313 HydrophobicContact CE1-CE1 4.24Å; Y311-Y313 HydrophobicContact CE1-CE2 4.31Å; Y311-Y313 HydrophobicContact CE1-CG 4.19Å
312N67Low65.7Low114 Ų11494.6 Ų94.661%0.6149%0.488SS*.  trans-100.4124.9173.7-157.818.3000109.8D314N312-D314 PolarHBondContact ND2-OD1 3.31Å; N312-D314 PolarHBondContact ND2-OD2 2.73Å; N312-D314 PolarHBondContact O-N 3.24Å
313Y66.3Low62.9Low50 Ų50101.8 Ų101.820%0.19652%0.522CS..  trans-80.462.2170.9-71-97.3000108.7Y311 K384 E385 R386Y311-Y313 AromaticContact CD1-CD2 4Å; Y311-Y313 HydrophobicContact CD1-CD2 4Å; Y311-Y313 AromaticContact CD1-CE2 3.96Å; Y311-Y313 HydrophobicContact CD1-CE2 3.96Å; Y311-Y313 HydrophobicContact CD1-CG 4.37Å; Y311-Y313 HydrophobicContact CE1-CD1 4.16Å; Y311-Y313 HydrophobicContact CE1-CD2 4.26Å; Y311-Y313 HydrophobicContact CE1-CE1 4.24Å; Y311-Y313 HydrophobicContact CE1-CE2 4.31Å; Y311-Y313 HydrophobicContact CE1-CG 4.19Å; Y313-K384 HydrophobicContact CD1-CD 3.97Å; Y313-K384 HydrophobicContact CD1-CG 4.44Å; Y313-K384 HydrophobicContact CE1-CD 3.94Å; Y313-K384 HydrophobicContact CE1-CG 3.91Å; Y313-E385 WeakPolarHBondContact OH-CA 3.44Å; Y313-R386 PolarHBondContact OH-N 3.15Å
314D50.2Low60.1Low113 Ų113104.5 Ų104.560%0.60454%0.542SS*.  trans-65.4144.2173.2-76.5-37000110.1N312 E316N312-D314 PolarHBondContact ND2-OD1 3.31Å; N312-D314 PolarHBondContact ND2-OD2 2.73Å; N312-D314 PolarHBondContact O-N 3.24Å; D314-E316 PolarHBondContact O-N 3.22Å
315D45.4Very low57.5Low140 Ų140109 Ų10975%0.74958%0.58SS**  trans-61.473.9-157.6-66.6-55.4000116.9D317D315-D317 PolarHBondContact O-N 3.01Å
316E45.6Very low54.8Low194 Ų194117.1 Ų117.191%0.90762%0.624SS**THydrogen-bonded Turntrans-77.419.1166.5-70.6-170.5172.600114.2D314D314-E316 PolarHBondContact O-N 3.22Å
317D47.7Very low52.1Low92 Ų92117.5 Ų117.549%0.49264%0.641SS.*THydrogen-bonded Turntrans-102.28.2176.6-82-46.1000113.7D315 K441D315-D317 PolarHBondContact O-N 3.01Å; D317-K441 IonicContact OD1-NZ 3.92Å; D317-K441 PolarHBondContact OD1-NZ 3.33Å
318E38.3Very low49.5Very low164 Ų164118.5 Ų118.577%0.76667%0.667SS**SBendtrans-118.280.3171.4-69.1-169.9172.900111.4
319D40.4Very low47Very low152 Ų152125.7 Ų125.781%0.81371%0.706SS**  trans166.796.8147.9-88.2-22.5000108.1
320E35.1Very low45Very low165 Ų165129.9 Ų129.977%0.77172%0.724SS**  54.8109.885.1-75.8-158.2-178.700115
321N32.6Very low43Very low139 Ų139133.2 Ų133.274%0.74374%0.742SS**  trans86.6108.3147.4-55.1-40.5000119.9
322A33.3Very low41.3Very low90 Ų90135 Ų13574%0.74476%0.76SS**  trans65.9108.3131.800000118.9
323M36.8Very low39.8Very low184 Ų184139.3 Ų139.391%0.90678%0.776SS**  trans-152.4104.6131.3-82.5-54.9-155.300109.6
324D34.6Very low38.3Very low170 Ų170139.8 Ų139.891%0.90980%0.796SS**  trans-57.3128.7150.3-75.5-51.4000108.6
325A38.4Very low37.4Very low98 Ų98139 Ų13981%0.8180%0.8SS**  trans-144.685.7163.100000109.5
326D36.6Very low37Very low173 Ų173139.2 Ų139.293%0.92580%0.801SS**  trans-63.6129.6157-143.75000108.5
327G33.9Very low36.5Very low77 Ų77136.1 Ų136.179%0.79479%0.79SS**  trans104.2128.1156.900000119.4
328G33.2Very low36.3Very low72 Ų72140.4 Ų140.474%0.74281%0.807SS**  trans10994.3164.500000112.4
329D35.7Very low36.6Very low166 Ų166143 Ų14389%0.88881%0.812SS**  22.393.991.9-82.3-6.8000112.8
330D39.4Very low36.8Very low162 Ų162140 Ų14087%0.86680%0.803SS**  trans-158.1125.6141.8-95.3-32.7000110.1D332D330-D332 PolarHBondContact O-N 3.18Å
331D36.5Very low37.6Very low165 Ų165136.9 Ų136.988%0.88279%0.791SS**  trans-55.2114.4162.4-70.9-58000109.2
332D39.9Very low38.8Very low156 Ų156137.2 Ų137.283%0.83479%0.793SS**  trans-134.1102.5158.9-130.3-12.3000110.8D330 G334D330-D332 PolarHBondContact O-N 3.18Å; D332-G334 VanDerWaalsContact C-N 3.33Å; D332-G334 PolarHBondContact O-N 2.65Å; D332-G334 VanDerWaalsContact O-N 3.09Å
333Q35.8Very low40.4Very low203 Ų203139.7 Ų139.795%0.94979%0.794SS**  trans-68.291.5162.7-69.41747.400107.5
334G35Very low42.4Very low60 Ų60132 Ų13262%0.61976%0.756SS**  trans-132.5101.6175.300000111D332 D336D332-G334 VanDerWaalsContact C-N 3.33Å; D332-G334 PolarHBondContact O-N 2.65Å; D332-G334 VanDerWaalsContact O-N 3.09Å; G334-D336 PolarHBondContact O-N 3.09Å
335S31.5Very low44.8Very low98 Ų98125.8 Ų125.869%0.68572%0.722SS**  trans-2.992.6168.5650000118.2D337S335-D337 PolarHBondContact O-N 3.3Å
336D37.6Very low47.2Very low144 Ų144121.1 Ų121.177%0.7768%0.684SS**  trans-82.671.8142.3-88.5-19.5000106G334 E338G334-D336 PolarHBondContact O-N 3.09Å; D336-E338 PolarHBondContact O-N 2.64Å
337D35.3Very low49.8Very low129 Ų129115.7 Ų115.769%0.6965%0.65SS**  trans-62.697.6161.2-80.3-32.3000105.6S335 Y339S335-D337 PolarHBondContact O-N 3.3Å; D337-Y339 PolarHBondContact O-N 3.48Å
338E42.8Very low52.6Low182 Ų182114.9 Ų114.985%0.8563%0.625SS**  trans-46.1107.4161.3-79.9177.4158.400106.3D336 S340D336-E338 PolarHBondContact O-N 2.64Å; E338-S340 PolarHBondContact O-N 3.26Å
339Y45.1Very low55.5Low218 Ų218111.5 Ų111.586%0.85559%0.59SS**  trans-63.772.8167-96.7-92.5000107.7D337 D341D337-Y339 PolarHBondContact O-N 3.48Å; Y339-D341 PolarHBondContact O-N 2.74Å; Y339-D341 VanDerWaalsContact O-N 3.15Å
340S43.9Very low58.3Low89 Ų89103.6 Ų103.662%0.62255%0.547SS*.  trans-81.475.7163.5-177.50000106E338 D342E338-S340 PolarHBondContact O-N 3.26Å; S340-D342 VanDerWaalsContact C-N 3.28Å; S340-D342 PolarHBondContact O-N 3.41Å; S340-D342 PolarHBondContact OG-OD1 2.99Å
341D52.1Low60.9Low99 Ų9999.7 Ų99.753%0.52952%0.521SS..  trans-66.698.3161.3-162.1-2.6000105.9Y339 D343 D344Y339-D341 PolarHBondContact O-N 2.74Å; Y339-D341 VanDerWaalsContact O-N 3.15Å; D341-D343 PolarHBondContact O-N 3.33Å; D341-D344 HydrophobicContact CB-CB 4.4Å; D341-D344 PolarHBondContact O-N 2.82Å
342D57.8Low63.7Low146 Ų14692 Ų9278%0.78148%0.48SS*.THydrogen-bonded Turntrans-54.5-14.7-177.7-90.3-17.4000112.4S340S340-D342 VanDerWaalsContact C-N 3.28Å; S340-D342 PolarHBondContact O-N 3.41Å; S340-D342 PolarHBondContact OG-OD1 2.99Å
343D66.4Low66.4Low142 Ų14284.6 Ų84.676%0.75944%0.44SS*.THydrogen-bonded Turntrans-93.4-8.9177.7-70.9-25.6000114.5D341 M345D341-D343 PolarHBondContact O-N 3.33Å; D343-M345 PolarHBondContact O-N 2.93Å
344D78.6Confident69.3Low23 Ų2374.9 Ų74.912%0.12340%0.395CS..  trans-78105.6178-170.9-3.3000112.1N310 D341 S346 W347 R386N310-D344 PolarHBondContact ND2-OD1 2.97Å; N310-D344 PolarHBondContact ND2-OD2 3.05Å; D341-D344 HydrophobicContact CB-CB 4.4Å; D341-D344 PolarHBondContact O-N 2.82Å; D344-S346 WeakPolarHBondContact OD1-CB 3.03Å; D344-S346 PolarHBondContact OD1-N 3.02Å; D344-S346 PolarHBondContact OD1-OG 3.36Å; D344-S346 PolarHBondContact OD2-OG 3.25Å; D344-W347 PolarHBondContact O-NE1 3.29Å; D344-R386 IonicContact OD2-NH2 2.93Å; D344-R386 PolarHBondContact OD2-NH2 3.35Å
345M85.3Confident72.2Confident39 Ų3975.1 Ų75.119%0.19238%0.379CS..  trans-103.4-1.2177.5-68.4-73-76.700113.3D269 E270 D343 W347 K348D269-M345 HydrophobicContact CB-CB 4.02Å; E270-M345 HydrophobicContact CG-CE 3.62Å; D343-M345 PolarHBondContact O-N 2.93Å; M345-W347 PolarHBondContact O-N 3.28Å; M345-K348 HydrophobicContact CE-CD 3.54Å; M345-K348 WeakPolarHBondContact O-CB 3.32Å; M345-K348 PolarHBondContact O-N 3.4Å; M345-K348 VanDerWaalsContact O-N 3.08Å; M345-K348 HydrophobicContact SD-CD 3.79Å; M345-K348 PolarHBondContact SD-NZ 2.9Å
346S89.7Confident75.2Confident0 Ų070.5 Ų70.50%035%0.347CS..Hα-helixtrans-61.4-33.2-175.170.70000112.4D344 K348 V349 R350D344-S346 WeakPolarHBondContact OD1-CB 3.03Å; D344-S346 PolarHBondContact OD1-N 3.02Å; D344-S346 PolarHBondContact OD1-OG 3.36Å; D344-S346 PolarHBondContact OD2-OG 3.25Å; S346-K348 VanDerWaalsContact C-N 3.27Å; S346-K348 PolarHBondContact O-N 3.25Å; S346-V349 WeakPolarHBondContact O-CB 3.38Å; S346-V349 PolarHBondContact O-N 3.42Å; S346-V349 VanDerWaalsContact O-N 3.12Å; S346-R350 PolarHBondContact O-N 3.19Å; S346-R350 VanDerWaalsContact O-N 3.11Å; S346-R350 PolarHBondContact OG-NH1 3.27Å
347W91.3Very high78Confident60 Ų6063.7 Ų63.723%0.22731%0.31CS..Hα-helixtrans-62.4-31.8177.871.8-93.9000112.8D344 M345 V349 R350 R351 E387 N389 V390D344-W347 PolarHBondContact O-NE1 3.29Å; M345-W347 PolarHBondContact O-N 3.28Å; W347-V349 VanDerWaalsContact C-N 3.33Å; W347-R350 PolarHBondContact O-N 3.3Å; W347-R351 VanDerWaalsContact O-CB 3.27Å; W347-R351 WeakPolarHBondContact O-CB 3.19Å; W347-R351 PolarHBondContact O-N 3.1Å; W347-E387 HydrophobicContact CB-CB 4.39Å; W347-E387 HydrophobicContact CB-CG 3.72Å; W347-N389 HydrophobicContact CZ3-CB 4.46Å; W347-V390 HydrophobicContact CB-CG2 4.19Å; W347-V390 HydrophobicContact CE3-CG2 4.5Å; W347-V390 VanDerWaalsContact O-CG2 3.3Å; W347-V390 WeakPolarHBondContact O-CG2 3.46Å
348K92.6Very high80.8Confident60 Ų6058.8 Ų58.826%0.26128%0.284SS..Hα-helixtrans-69.1-35176.8-63.7-177.6-176.4166.10111.4E273 M345 S346 R351 A352E273-K348 HydrophobicContact CG-CB 4.18Å; E273-K348 WeakPolarHBondContact OE2-CB 3.43Å; M345-K348 HydrophobicContact CE-CD 3.54Å; M345-K348 WeakPolarHBondContact O-CB 3.32Å; M345-K348 PolarHBondContact O-N 3.4Å; M345-K348 VanDerWaalsContact O-N 3.08Å; M345-K348 HydrophobicContact SD-CD 3.79Å; M345-K348 PolarHBondContact SD-NZ 2.9Å; S346-K348 VanDerWaalsContact C-N 3.27Å; S346-K348 PolarHBondContact O-N 3.25Å; K348-R351 PolarHBondContact O-N 3.33Å; K348-A352 WeakPolarHBondContact O-CB 3.33Å; K348-A352 PolarHBondContact O-N 3.39Å
349V93.6Very high83.1Confident0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-64.9-49.4173.9-173.70000110.3D269 R272 E273 I276 Y304 Y307 S346 W347 R351 A352 A353D269-V349 HydrophobicContact CB-CG2 3.91Å; D269-V349 VanDerWaalsContact O-CG2 3.26Å; D269-V349 WeakPolarHBondContact O-CG2 3.44Å; R272-V349 HydrophobicContact CB-CG1 3.99Å; R272-V349 HydrophobicContact CB-CG2 4.08Å; E273-V349 HydrophobicContact CB-CG2 4.42Å; I276-V349 HydrophobicContact CD1-CG1 3.84Å; Y304-V349 HydrophobicContact CD1-CG1 3.84Å; Y304-V349 HydrophobicContact CG-CG1 4Å; Y307-V349 HydrophobicContact CD1-CB 4.38Å; Y307-V349 HydrophobicContact CD1-CG1 4.36Å; S346-V349 WeakPolarHBondContact O-CB 3.38Å; S346-V349 PolarHBondContact O-N 3.42Å; S346-V349 VanDerWaalsContact O-N 3.12Å; W347-V349 VanDerWaalsContact C-N 3.33Å; V349-R351 VanDerWaalsContact C-N 3.33Å; V349-R351 PolarHBondContact O-N 3.44Å; V349-A352 PolarHBondContact O-N 3.35Å; V349-A353 PolarHBondContact O-N 3.14Å
350R94.8Very high85.3Confident0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-59.2-43.6175.9-63.3-163-67.9-73.66.2111.9Y304 L305 Y307 D308 S346 W347 A353 A354 E385 V390Y304-R350 WeakPolarHBondContact O-CG 3.48Å; L305-R350 WeakPolarHBondContact O-CD 3.27Å; Y307-R350 VanDerWaalsContact O-CD 3.31Å; Y307-R350 WeakPolarHBondContact O-CD 3.5Å; Y307-R350 WeakPolarHBondContact O-CG 3.32Å; Y307-R350 PolarHBondContact O-NH1 2.93Å; D308-R350 VanDerWaalsContact CG-NH1 3.33Å; D308-R350 IonicContact OD1-NH1 3.78Å; D308-R350 IonicContact OD1-NH2 2.98Å; D308-R350 IonicContact OD2-CZ 2.96Å; D308-R350 IonicContact OD2-NH1 3.65Å; D308-R350 IonicContact OD2-NH2 2.89Å; D308-R350 PolarHBondContact OD2-NH2 3.28Å; D308-R350 VanDerWaalsContact OD2-NH2 3.16Å; S346-R350 PolarHBondContact O-N 3.19Å; S346-R350 VanDerWaalsContact O-N 3.11Å; S346-R350 PolarHBondContact OG-NH1 3.27Å; W347-R350 PolarHBondContact O-N 3.3Å; R350-A353 WeakPolarHBondContact O-CB 3.48Å; R350-A353 PolarHBondContact O-N 3.46Å; R350-A354 PolarHBondContact O-N 3.39Å; R350-E385 IonicContact CZ-OE1 3.39Å; R350-E385 IonicContact NE-OE1 3.4Å; R350-E385 PolarHBondContact NE-OE1 3.03Å; R350-E385 IonicContact NE-OE2 2.99Å; R350-E385 PolarHBondContact NE-OE2 3.28Å; R350-E385 IonicContact NH2-OE1 3.69Å; R350-E385 PolarHBondContact NH2-OE1 2.92Å; R350-V390 HydrophobicContact CB-CG1 3.74Å; R350-V390 HydrophobicContact CB-CG2 4.27Å
351R94.3Very high87.5Confident80 Ų8035.6 Ų35.630%0.30217%0.174SC..Hα-helixtrans-60.4-46.4176.5-167-178.4175.1-164.71.7112.4W347 K348 V349 A353 A354 K355 V390 D393W347-R351 VanDerWaalsContact O-CB 3.27Å; W347-R351 WeakPolarHBondContact O-CB 3.19Å; W347-R351 PolarHBondContact O-N 3.1Å; K348-R351 PolarHBondContact O-N 3.33Å; V349-R351 VanDerWaalsContact C-N 3.33Å; V349-R351 PolarHBondContact O-N 3.44Å; R351-A353 VanDerWaalsContact C-N 3.29Å; R351-A353 PolarHBondContact O-N 3.5Å; R351-A354 PolarHBondContact O-N 3.31Å; R351-K355 PolarHBondContact O-N 3.14Å; R351-K355 VanDerWaalsContact O-N 3.08Å; R351-V390 HydrophobicContact CB-CG2 4.02Å; R351-D393 WeakPolarHBondContact CG-OD2 3.28Å; R351-D393 IonicContact CZ-OD2 2.93Å; R351-D393 IonicContact NE-OD2 3.48Å; R351-D393 PolarHBondContact NE-OD2 3.27Å; R351-D393 IonicContact NH2-OD2 2.89Å
352A94.8Very high89.1Confident4 Ų432.6 Ų32.63%0.03316%0.16CC..Hα-helixtrans-62-39.7177.500000111.1E273 I276 Q277 K348 V349 K355 C356E273-A352 HydrophobicContact CG-CB 4.23Å; I276-A352 HydrophobicContact CB-CB 3.99Å; I276-A352 HydrophobicContact CG2-CB 3.79Å; I276-A352 VanDerWaalsContact CG2-O 3.32Å; I276-A352 WeakPolarHBondContact CG2-O 3.34Å; Q277-A352 HydrophobicContact CG-CB 4.27Å; K348-A352 WeakPolarHBondContact O-CB 3.33Å; K348-A352 PolarHBondContact O-N 3.39Å; V349-A352 PolarHBondContact O-N 3.35Å; A352-K355 PolarHBondContact O-N 2.84Å; A352-C356 WeakPolarHBondContact O-CB 3.15Å; A352-C356 PolarHBondContact O-N 2.92Å
353A96.5Very high90.2Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-62-45.7175.800000112.1I276 C301 L305 V349 R350 R351 K355 C356 L357I276-A353 HydrophobicContact CD1-CB 4.45Å; C301-A353 HydrophobicContact CB-CB 4.26Å; C301-A353 WeakPolarHBondContact O-CB 3.46Å; L305-A353 HydrophobicContact CB-CB 4.35Å; V349-A353 PolarHBondContact O-N 3.14Å; R350-A353 WeakPolarHBondContact O-CB 3.48Å; R350-A353 PolarHBondContact O-N 3.46Å; R351-A353 VanDerWaalsContact C-N 3.29Å; R351-A353 PolarHBondContact O-N 3.5Å; A353-K355 PolarHBondContact O-N 3.27Å; A353-C356 PolarHBondContact O-N 3.03Å; A353-L357 WeakPolarHBondContact O-CG 3.4Å; A353-L357 PolarHBondContact O-N 3.11Å
354A96.3Very high91Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-59.9-44.5176.400000112.3L305 R350 R351 C356 L357 D358 D393 V394L305-A354 HydrophobicContact CD1-CB 3.98Å; R350-A354 PolarHBondContact O-N 3.39Å; R351-A354 PolarHBondContact O-N 3.31Å; A354-C356 PolarHBondContact O-N 3.02Å; A354-L357 PolarHBondContact O-N 2.69Å; A354-D358 PolarHBondContact O-N 3.02Å; A354-D393 HydrophobicContact CB-CB 4.02Å; A354-V394 HydrophobicContact CB-CG2 4.02Å
355K95.3Very high90.9Very high65 Ų6521.7 Ų21.728%0.28310%0.101SC..Hα-helixtrans-66.3-35.2176.5-72-174.5176.1-171.80113.8R351 A352 A353 D358 A359 D393R351-K355 PolarHBondContact O-N 3.14Å; R351-K355 VanDerWaalsContact O-N 3.08Å; A352-K355 PolarHBondContact O-N 2.84Å; A353-K355 PolarHBondContact O-N 3.27Å; K355-D358 PolarHBondContact O-N 3.27Å; K355-A359 PolarHBondContact O-N 2.81Å; K355-D393 WeakPolarHBondContact CE-OD1 3.31Å; K355-D393 WeakPolarHBondContact CE-OD2 3.47Å; K355-D393 HydrophobicContact CG-CB 4.29Å
356C95.6Very high90.5Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-68.1-41.7174.9-168.80000111I276 E280 C301 A352 A353 A354 A359 V360I276-C356 HydrophobicContact CG2-CB 3.83Å; E280-C356 HydrophobicContact CB-CB 4.12Å; C301-C356 VanDerWaalsContact SG-CB 3.6Å; A352-C356 WeakPolarHBondContact O-CB 3.15Å; A352-C356 PolarHBondContact O-N 2.92Å; A353-C356 PolarHBondContact O-N 3.03Å; A354-C356 PolarHBondContact O-N 3.02Å; C356-A359 WeakPolarHBondContact O-CB 3.32Å; C356-A359 PolarHBondContact O-N 3.42Å; C356-V360 WeakPolarHBondContact O-CG2 3.37Å; C356-V360 PolarHBondContact O-N 3.23Å
357L96.1Very high90.3Very high1 Ų124.7 Ų24.71%0.00512%0.115CC..Hα-helixtrans-62-43.7172.8-70.6172.1000111.8I298 C301 L302 L305 A353 A354 A359 V360 V361 V375 L379I298-L357 HydrophobicContact CG2-CD2 4.49Å; C301-L357 HydrophobicContact CB-CD1 4.28Å; C301-L357 HydrophobicContact CB-CD2 3.8Å; C301-L357 HydrophobicContact CB-CG 3.74Å; L302-L357 HydrophobicContact CD2-CD1 4.11Å; L302-L357 HydrophobicContact CD2-CD2 4.49Å; L305-L357 HydrophobicContact CD2-CD1 4.12Å; A353-L357 WeakPolarHBondContact O-CG 3.4Å; A353-L357 PolarHBondContact O-N 3.11Å; A354-L357 PolarHBondContact O-N 2.69Å; L357-A359 VanDerWaalsContact C-N 3.29Å; L357-A359 PolarHBondContact O-N 2.92Å; L357-V360 PolarHBondContact O-N 3.24Å; L357-V361 WeakPolarHBondContact O-CB 3.46Å; L357-V361 WeakPolarHBondContact O-CG2 3.42Å; L357-V361 PolarHBondContact O-N 3.05Å; L357-V375 HydrophobicContact CD1-CG1 4.45Å; L357-V375 HydrophobicContact CD2-CG1 4.23Å; L357-V375 HydrophobicContact CD2-CG2 4.17Å; L357-L379 HydrophobicContact CD1-CD2 4.34Å
358D93.9Very high90.1Very high26 Ų2622.2 Ų22.214%0.13911%0.106CC..Hα-helixtrans-55.3-44.1171.9170.463.9000112R284 A354 K355 V360 V361 S362 A397 S400R284-D358 IonicContact CZ-OD2 3.04Å; R284-D358 IonicContact NH1-OD2 2.76Å; R284-D358 IonicContact NH2-OD2 3.86Å; R284-D358 PolarHBondContact NH2-OD2 3.08Å; A354-D358 PolarHBondContact O-N 3.02Å; K355-D358 PolarHBondContact O-N 3.27Å; D358-V360 PolarHBondContact O-N 3.07Å; D358-V361 PolarHBondContact O-N 2.82Å; D358-S362 WeakPolarHBondContact O-CB 3.48Å; D358-S362 PolarHBondContact O-N 3.32Å; D358-S362 PolarHBondContact O-OG 3.19Å; D358-S362 PolarHBondContact OD1-OG 3.17Å; D358-A397 HydrophobicContact CB-CB 3.84Å; D358-S400 VanDerWaalsContact OD1-CB 3.23Å; D358-S400 WeakPolarHBondContact OD1-CB 3.44Å; D358-S400 PolarHBondContact OD1-OG 2.96Å
359A90.1Very high89.8Confident0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-61.5-43176.200000112.6E280 V283 R284 K355 C356 L357 T363E280-A359 HydrophobicContact CG-CB 3.89Å; V283-A359 HydrophobicContact CG1-CB 4.07Å; R284-A359 HydrophobicContact CG-CB 3.68Å; R284-A359 VanDerWaalsContact CZ-CB 3.46Å; K355-A359 PolarHBondContact O-N 2.81Å; C356-A359 WeakPolarHBondContact O-CB 3.32Å; C356-A359 PolarHBondContact O-N 3.42Å; L357-A359 VanDerWaalsContact C-N 3.29Å; L357-A359 PolarHBondContact O-N 2.92Å; A359-T363 WeakPolarHBondContact O-CB 3.17Å; A359-T363 VanDerWaalsContact O-CG2 3.26Å; A359-T363 WeakPolarHBondContact O-CG2 3.36Å; A359-T363 PolarHBondContact O-N 3.33Å; A359-T363 PolarHBondContact O-OG1 3.29Å
360V92.4Very high89.7Confident1 Ų125.2 Ų25.21%0.00613%0.125CC..Hα-helixtrans-63.3-51.5177.81720000110V283 V294 I298 C356 L357 D358 S362 T363 R364 F371V283-V360 HydrophobicContact CB-CG2 4.41Å; V283-V360 HydrophobicContact CG1-CB 4.34Å; V283-V360 HydrophobicContact CG1-CG2 3.76Å; V283-V360 HydrophobicContact CG2-CG2 3.88Å; V294-V360 HydrophobicContact CG1-CG1 4.11Å; I298-V360 HydrophobicContact CD1-CG1 4Å; I298-V360 HydrophobicContact CG1-CG1 4.03Å; C356-V360 WeakPolarHBondContact O-CG2 3.37Å; C356-V360 PolarHBondContact O-N 3.23Å; L357-V360 PolarHBondContact O-N 3.24Å; D358-V360 PolarHBondContact O-N 3.07Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.1Å; V360-T363 PolarHBondContact O-N 3.38Å; V360-T363 PolarHBondContact O-OG1 3.18Å; V360-R364 WeakPolarHBondContact O-CB 3.44Å; V360-R364 PolarHBondContact O-N 3.31Å; V360-F371 HydrophobicContact CG1-CE1 3.7Å; V360-F371 HydrophobicContact CG1-CZ 3.55Å
361V90.6Very high89.6Confident1 Ų125.2 Ų25.21%0.00613%0.125CC..Hα-helixtrans-58.7-43.6178.2170.30000111.4L357 D358 T363 F371 V375 L401 Q404L357-V361 WeakPolarHBondContact O-CB 3.46Å; L357-V361 WeakPolarHBondContact O-CG2 3.42Å; L357-V361 PolarHBondContact O-N 3.05Å; D358-V361 PolarHBondContact O-N 2.82Å; V361-T363 PolarHBondContact O-N 3.41Å; V361-F371 HydrophobicContact CB-CE2 4.47Å; V361-F371 HydrophobicContact CG2-CD2 4Å; V361-F371 HydrophobicContact CG2-CE2 4.25Å; V361-F371 HydrophobicContact CG2-CG 4.31Å; V361-V375 HydrophobicContact CG2-CG1 4.36Å; V361-L401 VanDerWaalsContact CG1-CA 3.45Å; V361-L401 HydrophobicContact CG1-CB 3.79Å; V361-L401 HydrophobicContact CG1-CD1 4Å; V361-Q404 HydrophobicContact CG1-CG 4.48Å
362S85.7Confident89.5Confident36 Ų3621.4 Ų21.425%0.25211%0.111SC..Hα-helixtrans-70.9-15.4-177.6-63.70000114.5D358 V360 Q404D358-S362 WeakPolarHBondContact O-CB 3.48Å; D358-S362 PolarHBondContact O-N 3.32Å; D358-S362 PolarHBondContact O-OG 3.19Å; D358-S362 PolarHBondContact OD1-OG 3.17Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.1Å; S362-Q404 PolarHBondContact O-NE2 2.86Å
363T81Confident89.4Confident29 Ų2926.9 Ų26.918%0.17813%0.134CC..Hα-helixtrans-117.2-6.8-172.959.90000114.6V283 A359 V360 V361V283-T363 WeakPolarHBondContact CG1-OG1 3.25Å; A359-T363 WeakPolarHBondContact O-CB 3.17Å; A359-T363 VanDerWaalsContact O-CG2 3.26Å; A359-T363 WeakPolarHBondContact O-CG2 3.36Å; A359-T363 PolarHBondContact O-N 3.33Å; A359-T363 PolarHBondContact O-OG1 3.29Å; V360-T363 PolarHBondContact O-N 3.38Å; V360-T363 PolarHBondContact O-OG1 3.18Å; V361-T363 PolarHBondContact O-N 3.41Å
364R81.4Confident89.2Confident10 Ų1029.5 Ų29.54%0.03815%0.15CC..  trans-13375.4-172.6-66.1-71.6178-63.1-21.9112.1P287 V360 E366 M367 F371P287-R364 VanDerWaalsContact C-NH2 3.26Å; P287-R364 PolarHBondContact O-NH2 2.73Å; V360-R364 WeakPolarHBondContact O-CB 3.44Å; V360-R364 PolarHBondContact O-N 3.31Å; R364-E366 WeakPolarHBondContact CA-OE2 3.33Å; R364-E366 WeakPolarHBondContact CD-OE1 3.32Å; R364-E366 IonicContact NE-OE1 3.17Å; R364-E366 PolarHBondContact O-N 2.81Å; R364-M367 HydrophobicContact CB-CB 4.38Å; R364-M367 HydrophobicContact CB-CG 4.36Å; R364-M367 HydrophobicContact CB-SD 4.34Å; R364-M367 HydrophobicContact CG-SD 4.43Å; R364-M367 PolarHBondContact O-N 3.41Å; R364-F371 HydrophobicContact CB-CE2 4.18Å; R364-F371 HydrophobicContact CB-CZ 3.85Å; R364-F371 WeakPolarHBondContact O-CE2 3.35Å
365H78.2Confident89.1Confident43 Ų4329.5 Ų29.520%0.19915%0.15CC..G310 helixtrans-65.7-26.8179.556.9-108.4000112.7M367 L368H365-M367 PolarHBondContact O-N 3.23Å; H365-L368 WeakPolarHBondContact O-CB 3.27Å; H365-L368 WeakPolarHBondContact O-CD1 3.5Å; H365-L368 WeakPolarHBondContact O-CG 3.49Å; H365-L368 PolarHBondContact O-N 2.87Å
366E76.8Confident89.1Confident87 Ų8726.4 Ų26.441%0.40714%0.137SC..G310 helixtrans-66.9-21.7-179.672.4-80.4-163.900113R364R364-E366 WeakPolarHBondContact CA-OE2 3.33Å; R364-E366 WeakPolarHBondContact CD-OE1 3.32Å; R364-E366 IonicContact NE-OE1 3.17Å; R364-E366 PolarHBondContact O-N 2.81Å
367M85.8Confident89Confident15 Ų1529.1 Ų29.17%0.07415%0.154CC..G310 helixtrans-96.18.2-179.8-63.5-175.37700113.2V294 I298 R364 H365 E370 F371V294-M367 HydrophobicContact CG1-CE 4.11Å; V294-M367 HydrophobicContact CG1-SD 3.79Å; I298-M367 HydrophobicContact CD1-CE 4.17Å; R364-M367 HydrophobicContact CB-CB 4.38Å; R364-M367 HydrophobicContact CB-CG 4.36Å; R364-M367 HydrophobicContact CB-SD 4.34Å; R364-M367 HydrophobicContact CG-SD 4.43Å; R364-M367 PolarHBondContact O-N 3.41Å; H365-M367 PolarHBondContact O-N 3.23Å; M367-E370 WeakPolarHBondContact CE-OE2 2.88Å; M367-E370 WeakPolarHBondContact O-CA 3.46Å; M367-E370 WeakPolarHBondContact O-CB 3.14Å; M367-E370 PolarHBondContact O-N 3.44Å; M367-F371 HydrophobicContact CB-CD1 4.23Å; M367-F371 HydrophobicContact CB-CD2 4.46Å; M367-F371 HydrophobicContact CB-CE1 3.61Å; M367-F371 HydrophobicContact CB-CE2 3.89Å; M367-F371 HydrophobicContact CB-CZ 3.43Å; M367-F371 VanDerWaalsContact CB-CZ 3.43Å; M367-F371 HydrophobicContact CE-CE1 4.39Å; M367-F371 HydrophobicContact CG-CZ 4.39Å; M367-F371 WeakPolarHBondContact O-CG 3.39Å; M367-F371 PolarHBondContact O-N 3.26Å; M367-F371 HydrophobicContact SD-CE1 4.32Å; M367-F371 HydrophobicContact SD-CZ 4.32Å
368L86.3Confident89Confident9 Ų930.2 Ų30.25%0.04716%0.163CC..Hα-helixtrans-49.7-46-179.1-81.1171.9000114H365 E370 F371 Y372 L401 Q404 P424H365-L368 WeakPolarHBondContact O-CB 3.27Å; H365-L368 WeakPolarHBondContact O-CD1 3.5Å; H365-L368 WeakPolarHBondContact O-CG 3.49Å; H365-L368 PolarHBondContact O-N 2.87Å; L368-E370 VanDerWaalsContact C-N 3.32Å; L368-E370 PolarHBondContact O-N 3.22Å; L368-F371 HydrophobicContact CD2-CD2 4.38Å; L368-F371 PolarHBondContact O-N 3.04Å; L368-Y372 VanDerWaalsContact O-CD2 3.28Å; L368-Y372 WeakPolarHBondContact O-CD2 3.27Å; L368-Y372 PolarHBondContact O-N 3.3Å; L368-L401 HydrophobicContact CD2-CD1 3.6Å; L368-Q404 HydrophobicContact CD2-CB 3.98Å; L368-P424 HydrophobicContact CB-CB 4.37Å; L368-P424 HydrophobicContact CB-CG 4.04Å
369P87.2Confident89Confident48 Ų4829 Ų2931%0.31216%0.157SC..Hα-helixtrans-58.8-41.3175.4-23.433.4000113Y372 K373 P424 M427P369-Y372 PolarHBondContact O-N 3.11Å; P369-K373 WeakPolarHBondContact O-CG 3.42Å; P369-K373 PolarHBondContact O-N 3.26Å; P369-K373 VanDerWaalsContact O-N 3.12Å; P369-P424 HydrophobicContact CG-CG 4.08Å; P369-M427 HydrophobicContact CB-SD 4.41Å
370E89.8Confident89.2Confident74 Ų7429.7 Ų29.735%0.34616%0.16SC..Hα-helixtrans-66.8-38.1177.2-173.5178.5161.900111.5M367 L368 K373 T374M367-E370 WeakPolarHBondContact CE-OE2 2.88Å; M367-E370 WeakPolarHBondContact O-CA 3.46Å; M367-E370 WeakPolarHBondContact O-CB 3.14Å; M367-E370 PolarHBondContact O-N 3.44Å; L368-E370 VanDerWaalsContact C-N 3.32Å; L368-E370 PolarHBondContact O-N 3.22Å; E370-K373 PolarHBondContact O-N 3.48Å; E370-K373 VanDerWaalsContact O-N 3.09Å; E370-T374 HydrophobicContact CG-CG2 4.49Å; E370-T374 PolarHBondContact O-N 2.89Å; E370-T374 PolarHBondContact O-OG1 2.98Å
371F93.4Very high89.2Confident0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-63.7-41.9175.5-60.2-22.3000111.9I298 V360 V361 R364 M367 L368 K373 T374 V375 S376 L401I298-F371 HydrophobicContact CD1-CD1 4.48Å; I298-F371 HydrophobicContact CD1-CE1 3.87Å; V360-F371 HydrophobicContact CG1-CE1 3.7Å; V360-F371 HydrophobicContact CG1-CZ 3.55Å; V361-F371 HydrophobicContact CB-CE2 4.47Å; V361-F371 HydrophobicContact CG2-CD2 4Å; V361-F371 HydrophobicContact CG2-CE2 4.25Å; V361-F371 HydrophobicContact CG2-CG 4.31Å; R364-F371 HydrophobicContact CB-CE2 4.18Å; R364-F371 HydrophobicContact CB-CZ 3.85Å; R364-F371 WeakPolarHBondContact O-CE2 3.35Å; M367-F371 HydrophobicContact CB-CD1 4.23Å; M367-F371 HydrophobicContact CB-CD2 4.46Å; M367-F371 HydrophobicContact CB-CE1 3.61Å; M367-F371 HydrophobicContact CB-CE2 3.89Å; M367-F371 HydrophobicContact CB-CZ 3.43Å; M367-F371 VanDerWaalsContact CB-CZ 3.43Å; M367-F371 HydrophobicContact CE-CE1 4.39Å; M367-F371 HydrophobicContact CG-CZ 4.39Å; M367-F371 WeakPolarHBondContact O-CG 3.39Å; M367-F371 PolarHBondContact O-N 3.26Å; M367-F371 HydrophobicContact SD-CE1 4.32Å; M367-F371 HydrophobicContact SD-CZ 4.32Å; L368-F371 HydrophobicContact CD2-CD2 4.38Å; L368-F371 PolarHBondContact O-N 3.04Å; F371-K373 PolarHBondContact O-N 3.38Å; F371-T374 PolarHBondContact O-N 3.39Å; F371-V375 HydrophobicContact CB-CB 4.32Å; F371-V375 HydrophobicContact CD1-CG2 3.99Å; F371-V375 CarbonylContact O-C 3.6Å; F371-V375 WeakPolarHBondContact O-CA 3.14Å; F371-V375 PolarHBondContact O-N 3.03Å; F371-S376 PolarHBondContact O-N 3.31Å; F371-L401 HydrophobicContact CB-CD1 3.95Å; F371-L401 HydrophobicContact CD2-CD1 4.3Å
372Y93Very high89.4Confident0 Ų033.7 Ų33.70%018%0.183CC..Hα-helixtrans-65.2-27.9173.2-79.6-67.8000112.6L368 P369 P377 L401 T405 P424 M427 L428 Q431L368-Y372 VanDerWaalsContact O-CD2 3.28Å; L368-Y372 WeakPolarHBondContact O-CD2 3.27Å; L368-Y372 PolarHBondContact O-N 3.3Å; P369-Y372 PolarHBondContact O-N 3.11Å; Y372-P377 WeakPolarHBondContact O-CD 3.1Å; Y372-L401 HydrophobicContact CD1-CD2 4.17Å; Y372-L401 HydrophobicContact CE1-CD2 3.82Å; Y372-L401 HydrophobicContact CE1-CG 4.15Å; Y372-L401 HydrophobicContact CE2-CD1 4.16Å; Y372-L401 HydrophobicContact CE2-CG 4.35Å; Y372-T405 HydrophobicContact CE2-CG2 4.42Å; Y372-T405 PolarHBondContact OH-OG1 3.25Å; Y372-P424 HydrophobicContact CD2-CB 3.9Å; Y372-P424 HydrophobicContact CE2-CB 3.8Å; Y372-M427 HydrophobicContact CG-CB 4.21Å; Y372-L428 HydrophobicContact CD1-CB 4.42Å; Y372-L428 HydrophobicContact CE1-CB 3.74Å; Y372-L428 HydrophobicContact CE1-CD1 3.82Å; Y372-L428 HydrophobicContact CE1-CG 4.28Å; Y372-Q431 PolarHBondContact O-NE2 3.11Å
373K91.8Very high89.7Confident120 Ų12032 Ų3252%0.52217%0.171SC..Hα-helixtrans-76.4-38.5175.1-69.3-176.9-177.1-173.20113.3P369 E370 F371 E422 M427P369-K373 WeakPolarHBondContact O-CG 3.42Å; P369-K373 PolarHBondContact O-N 3.26Å; P369-K373 VanDerWaalsContact O-N 3.12Å; E370-K373 PolarHBondContact O-N 3.48Å; E370-K373 VanDerWaalsContact O-N 3.09Å; F371-K373 PolarHBondContact O-N 3.38Å; K373-E422 WeakPolarHBondContact CE-OE2 3.31Å; K373-E422 IonicContact NZ-OE2 2.72Å; K373-E422 PolarHBondContact NZ-OE2 3.43Å; K373-M427 HydrophobicContact CB-CE 4.33Å; K373-M427 HydrophobicContact CD-CE 4.17Å; K373-M427 HydrophobicContact CG-CE 3.28Å
374T92.2Very high90.1Very high54 Ų5434.9 Ų34.933%0.33118%0.181SC..Hα-helixtrans-116.6-51.2-165.458.60000113.3E370 F371E370-T374 HydrophobicContact CG-CG2 4.49Å; E370-T374 PolarHBondContact O-N 2.89Å; E370-T374 PolarHBondContact O-OG1 2.98Å; F371-T374 PolarHBondContact O-N 3.39Å
375V94.4Very high90.6Very high1 Ų134.4 Ų34.41%0.00618%0.18CC..Hα-helixtrans-80.1-45.6-173.7179.80000111.7I298 L357 V361 F371 A378 L379I298-V375 HydrophobicContact CG2-CG2 4.03Å; L357-V375 HydrophobicContact CD1-CG1 4.45Å; L357-V375 HydrophobicContact CD2-CG1 4.23Å; L357-V375 HydrophobicContact CD2-CG2 4.17Å; V361-V375 HydrophobicContact CG2-CG1 4.36Å; F371-V375 HydrophobicContact CB-CB 4.32Å; F371-V375 HydrophobicContact CD1-CG2 3.99Å; F371-V375 CarbonylContact O-C 3.6Å; F371-V375 WeakPolarHBondContact O-CA 3.14Å; F371-V375 PolarHBondContact O-N 3.03Å; V375-A378 PolarHBondContact O-N 2.87Å; V375-L379 HydrophobicContact CG1-CD1 3.72Å; V375-L379 HydrophobicContact CG1-CG 4.05Å; V375-L379 WeakPolarHBondContact O-CG 3.47Å; V375-L379 PolarHBondContact O-N 2.85Å
376S94.8Very high91.1Very high0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-58.7-50.5-176.8-178.50000112.9F371 A378 L379 I380 Y398 Q431F371-S376 PolarHBondContact O-N 3.31Å; S376-A378 VanDerWaalsContact C-N 3.29Å; S376-A378 PolarHBondContact O-N 3.22Å; S376-L379 PolarHBondContact O-N 3.32Å; S376-I380 VanDerWaalsContact O-CG1 3.29Å; S376-I380 WeakPolarHBondContact O-CG1 3.47Å; S376-I380 PolarHBondContact O-N 3.24Å; S376-Y398 WeakPolarHBondContact OG-CE2 3.33Å; S376-Y398 PolarHBondContact OG-OH 3.29Å; S376-Q431 VanDerWaalsContact CB-OE1 3.31Å; S376-Q431 PolarHBondContact OG-OE1 2.98Å
377P94.8Very high91.6Very high57 Ų5735.2 Ų35.237%0.3718%0.179SC..Hα-helixtrans-61.4-37.8178.3-22.635.5000112.6Y372 I380 S381Y372-P377 WeakPolarHBondContact O-CD 3.1Å; P377-I380 PolarHBondContact O-N 3.42Å; P377-S381 PolarHBondContact O-N 3.03Å
378A94.4Very high91.7Very high24 Ų2438.6 Ų38.620%0.19820%0.195CC..Hα-helixtrans-65.7-44.7177.700000111.8L302 V375 S376 S381 R382L302-A378 HydrophobicContact CD2-CB 3.51Å; V375-A378 PolarHBondContact O-N 2.87Å; S376-A378 VanDerWaalsContact C-N 3.29Å; S376-A378 PolarHBondContact O-N 3.22Å; A378-S381 PolarHBondContact O-N 2.97Å; A378-S381 PolarHBondContact O-OG 3.4Å; A378-R382 WeakPolarHBondContact O-CG 3.25Å; A378-R382 PolarHBondContact O-N 3.34Å
379L95.5Very high91.8Very high0 Ų041.3 Ų41.30%021%0.21CC..Hα-helixtrans-63.4-44.2176.1-69.3176.4000111.9L305 L357 V375 S376 S381 R382 F383 V394 A397 Y398L305-L379 HydrophobicContact CD2-CD2 4.17Å; L357-L379 HydrophobicContact CD1-CD2 4.34Å; V375-L379 HydrophobicContact CG1-CD1 3.72Å; V375-L379 HydrophobicContact CG1-CG 4.05Å; V375-L379 WeakPolarHBondContact O-CG 3.47Å; V375-L379 PolarHBondContact O-N 2.85Å; S376-L379 PolarHBondContact O-N 3.32Å; L379-S381 VanDerWaalsContact C-N 3.29Å; L379-S381 PolarHBondContact O-N 2.79Å; L379-R382 CarbonylContact O-C 3.3Å; L379-R382 WeakPolarHBondContact O-CA 3.3Å; L379-R382 PolarHBondContact O-N 3.34Å; L379-F383 VanDerWaalsContact O-CD1 3.24Å; L379-F383 WeakPolarHBondContact O-CD1 3.4Å; L379-F383 PolarHBondContact O-N 3.11Å; L379-V394 HydrophobicContact CB-CG1 4.39Å; L379-V394 HydrophobicContact CD2-CG1 3.99Å; L379-A397 HydrophobicContact CD1-CB 3.97Å; L379-A397 HydrophobicContact CD2-CB 4.13Å; L379-Y398 HydrophobicContact CB-CD2 3.89Å; L379-Y398 HydrophobicContact CD1-CD2 4.19Å
380I94.1Very high92.1Very high14 Ų1439 Ų397%0.07220%0.195CC..Hα-helixtrans-57.7-43.8176.5-65.9164.1000110.4S376 P377 R382 F383 Y398 Q431 N434 I435 A438S376-I380 VanDerWaalsContact O-CG1 3.29Å; S376-I380 WeakPolarHBondContact O-CG1 3.47Å; S376-I380 PolarHBondContact O-N 3.24Å; P377-I380 PolarHBondContact O-N 3.42Å; I380-R382 PolarHBondContact O-N 3.45Å; I380-R382 VanDerWaalsContact O-N 3.13Å; I380-F383 PolarHBondContact O-N 2.7Å; I380-Y398 HydrophobicContact CD1-CE2 3.93Å; I380-Y398 HydrophobicContact CG1-CD2 4.26Å; I380-Y398 HydrophobicContact CG1-CE2 3.55Å; I380-Q431 HydrophobicContact CD1-CB 4.36Å; I380-N434 HydrophobicContact CG2-CB 4.22Å; I380-I435 HydrophobicContact CD1-CG1 3.65Å; I380-I435 HydrophobicContact CG1-CG1 4.06Å; I380-A438 HydrophobicContact CG2-CB 3.95Å
381S93Very high92.3Very high52 Ų5236 Ų3636%0.36418%0.181SC..Hα-helixtrans-62.4-19.5177.882.70000113.9P377 A378 L379 K384P377-S381 PolarHBondContact O-N 3.03Å; A378-S381 PolarHBondContact O-N 2.97Å; A378-S381 PolarHBondContact O-OG 3.4Å; L379-S381 VanDerWaalsContact C-N 3.29Å; L379-S381 PolarHBondContact O-N 2.79Å; S381-K384 WeakPolarHBondContact O-CG 3.44Å
382R92.9Very high92.2Very high35 Ų3536.2 Ų36.213%0.13218%0.183CC..THydrogen-bonded Turntrans-103.84.9-178.3-64.2-66.9128.2173.73113.5L305 A378 L379 I380 K384 E385 V394L305-R382 HydrophobicContact CD2-CG 3.93Å; L305-R382 HydrophobicContact CG-CG 4.03Å; A378-R382 WeakPolarHBondContact O-CG 3.25Å; A378-R382 PolarHBondContact O-N 3.34Å; L379-R382 CarbonylContact O-C 3.3Å; L379-R382 WeakPolarHBondContact O-CA 3.3Å; L379-R382 PolarHBondContact O-N 3.34Å; I380-R382 PolarHBondContact O-N 3.45Å; I380-R382 VanDerWaalsContact O-N 3.13Å; R382-K384 PolarHBondContact O-N 2.99Å; R382-K384 VanDerWaalsContact O-N 3.14Å; R382-E385 WeakPolarHBondContact O-CB 3.43Å; R382-E385 PolarHBondContact O-N 3.41Å; R382-V394 HydrophobicContact CB-CG1 4.05Å; R382-V394 HydrophobicContact CB-CG2 4.29Å
383F93.1Very high92.2Very high0 Ų037.3 Ų37.30%019%0.188CC..THydrogen-bonded Turntrans-61-20.7168.4-71.5-1.6000112.2L379 I380 E385 V394 F395 Y398 I435 A438 L439 Q442 M457L379-F383 VanDerWaalsContact O-CD1 3.24Å; L379-F383 WeakPolarHBondContact O-CD1 3.4Å; L379-F383 PolarHBondContact O-N 3.11Å; I380-F383 PolarHBondContact O-N 2.7Å; F383-E385 VanDerWaalsContact C-N 3.32Å; F383-V394 HydrophobicContact CD1-CG1 3.86Å; F383-V394 HydrophobicContact CE1-CG1 4.1Å; F383-F395 HydrophobicContact CB-CE1 4.41Å; F383-F395 HydrophobicContact CB-CZ 4.21Å; F383-F395 HydrophobicContact CD1-CD1 4.15Å; F383-F395 AromaticContact CD1-CE1 3.87Å; F383-F395 HydrophobicContact CD1-CE1 3.87Å; F383-F395 HydrophobicContact CD1-CZ 4.34Å; F383-F395 AromaticContact CD2-CE1 3.93Å; F383-F395 HydrophobicContact CD2-CE1 3.93Å; F383-F395 HydrophobicContact CD2-CZ 4.5Å; F383-F395 HydrophobicContact CE1-CD1 4Å; F383-F395 HydrophobicContact CE1-CE1 4.06Å; F383-F395 HydrophobicContact CE2-CE1 4.12Å; F383-F395 AromaticContact CG-CE1 3.82Å; F383-F395 HydrophobicContact CG-CE1 3.82Å; F383-F395 HydrophobicContact CG-CZ 4.12Å; F383-F395 HydrophobicContact CZ-CD1 4.26Å; F383-F395 HydrophobicContact CZ-CE1 4.19Å; F383-Y398 HydrophobicContact CE1-CD2 4.27Å; F383-Y398 HydrophobicContact CE1-CG 4.29Å; F383-Y398 HydrophobicContact CZ-CD1 4.33Å; F383-Y398 AromaticContact CZ-CD2 3.89Å; F383-Y398 HydrophobicContact CZ-CD2 3.89Å; F383-Y398 HydrophobicContact CZ-CE2 4.45Å; F383-Y398 AromaticContact CZ-CG 3.84Å; F383-Y398 HydrophobicContact CZ-CG 3.84Å; F383-I435 HydrophobicContact CE2-CG2 4.41Å; F383-A438 HydrophobicContact CB-CB 4.11Å; F383-A438 HydrophobicContact CD2-CB 3.76Å; F383-A438 HydrophobicContact CG-CB 4.36Å; F383-L439 HydrophobicContact CD2-CD2 3.92Å; F383-L439 HydrophobicContact CD2-CG 4.21Å; F383-L439 HydrophobicContact CE2-CD2 3.98Å; F383-L439 HydrophobicContact CE2-CG 4.18Å; F383-Q442 WeakPolarHBondContact O-CG 3.46Å; F383-Q442 PolarHBondContact O-OE1 2.97Å; F383-Q442 VanDerWaalsContact O-OE1 3.12Å; F383-M457 HydrophobicContact CZ-CE 4.12Å
384K90.4Very high92.4Very high89 Ų8931.6 Ų31.639%0.38716%0.164SC..THydrogen-bonded Turntrans-84.610.6172.767.8174.2180178.20115.3Y313 S381 R382 R386Y313-K384 HydrophobicContact CD1-CD 3.97Å; Y313-K384 HydrophobicContact CD1-CG 4.44Å; Y313-K384 HydrophobicContact CE1-CD 3.94Å; Y313-K384 HydrophobicContact CE1-CG 3.91Å; S381-K384 WeakPolarHBondContact O-CG 3.44Å; R382-K384 PolarHBondContact O-N 2.99Å; R382-K384 VanDerWaalsContact O-N 3.14Å; K384-R386 PolarHBondContact O-N 3.2Å
385E91Very high92.5Very high1 Ų129 Ų291%0.00515%0.148CC..  trans-55132.9-177.3174.357.9-125.900112.6Y313 R350 R382 F383 E387 V390 K391Y313-E385 WeakPolarHBondContact OH-CA 3.44Å; R350-E385 IonicContact CZ-OE1 3.39Å; R350-E385 IonicContact NE-OE1 3.4Å; R350-E385 PolarHBondContact NE-OE1 3.03Å; R350-E385 IonicContact NE-OE2 2.99Å; R350-E385 PolarHBondContact NE-OE2 3.28Å; R350-E385 IonicContact NH2-OE1 3.69Å; R350-E385 PolarHBondContact NH2-OE1 2.92Å; R382-E385 WeakPolarHBondContact O-CB 3.43Å; R382-E385 PolarHBondContact O-N 3.41Å; F383-E385 VanDerWaalsContact C-N 3.32Å; E385-E387 HydrophobicContact CG-CB 4.45Å; E385-E387 PolarHBondContact OE1-N 3.15Å; E385-V390 HydrophobicContact CG-CB 3.67Å; E385-V390 HydrophobicContact CG-CG1 3.69Å; E385-K391 HydrophobicContact CB-CB 4.02Å; E385-K391 HydrophobicContact CB-CG 4.4Å; E385-K391 HydrophobicContact CG-CB 4.26Å; E385-K391 WeakPolarHBondContact O-CE 3.14Å; E385-K391 PolarHBondContact O-NZ 3.3Å
386R87.7Confident92.5Very high88 Ų8833.4 Ų33.433%0.33217%0.168SC..SBendtrans-70.7-36.2-177.468.4-174.1176.4109.5-4.3113.1D308 Y313 D344 K384 E388D308-R386 IonicContact OD1-CZ 2.62Å; D308-R386 IonicContact OD1-NE 2.82Å; D308-R386 IonicContact OD1-NH2 2.73Å; D308-R386 PolarHBondContact OD1-NH2 3.48Å; D308-R386 IonicContact OD2-CZ 3.18Å; D308-R386 IonicContact OD2-NE 3.41Å; D308-R386 PolarHBondContact OD2-NE 3.31Å; D308-R386 IonicContact OD2-NH2 2.94Å; D308-R386 PolarHBondContact OD2-NH2 3.25Å; Y313-R386 PolarHBondContact OH-N 3.15Å; D344-R386 IonicContact OD2-NH2 2.93Å; D344-R386 PolarHBondContact OD2-NH2 3.35Å; K384-R386 PolarHBondContact O-N 3.2Å; R386-E388 PolarHBondContact O-N 3.34Å
387E89.2Confident92.5Very high58 Ų5833.4 Ų33.427%0.27117%0.168SC..SBendtrans-80.9113.9-176.7-73.1-63.1145.500112.2W347 E385 N389 V390 K391W347-E387 HydrophobicContact CB-CB 4.39Å; W347-E387 HydrophobicContact CB-CG 3.72Å; E385-E387 HydrophobicContact CG-CB 4.45Å; E385-E387 PolarHBondContact OE1-N 3.15Å; E387-N389 VanDerWaalsContact C-N 3.28Å; E387-N389 PolarHBondContact O-N 3.11Å; E387-V390 HydrophobicContact CB-CB 3.98Å; E387-V390 HydrophobicContact CB-CG2 3.64Å; E387-V390 HydrophobicContact CG-CG2 4.49Å; E387-V390 PolarHBondContact O-N 2.77Å; E387-K391 WeakPolarHBondContact O-CB 2.76Å; E387-K391 PolarHBondContact O-N 2.81Å
388E87.3Confident92.5Very high86 Ų8630.7 Ų30.740%0.40215%0.15SC..Hα-helixtrans-58.9-36.3-172.3-173.3176.5-156.600113.3R386 A392 S447 K449R386-E388 PolarHBondContact O-N 3.34Å; E388-A392 WeakPolarHBondContact O-CB 3.42Å; E388-A392 PolarHBondContact O-N 3.42Å; E388-S447 PolarHBondContact OE1-OG 3.01Å; E388-K449 HydrophobicContact CG-CD 4.32Å; E388-K449 WeakPolarHBondContact OE1-CB 3.48Å
389N89.2Confident92.5Very high67 Ų6730.4 Ų30.436%0.35815%0.145SC..Hα-helixtrans-68.8-38.7177.1-73.3-48.2000112.4W347 E387 D393W347-N389 HydrophobicContact CZ3-CB 4.46Å; E387-N389 VanDerWaalsContact C-N 3.28Å; E387-N389 PolarHBondContact O-N 3.11Å; N389-D393 PolarHBondContact O-N 3.09Å
390V92.6Very high92.3Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-69.6-47.5176.2-175.80000109.3W347 R350 R351 E385 E387 A392 D393 V394W347-V390 HydrophobicContact CB-CG2 4.19Å; W347-V390 HydrophobicContact CE3-CG2 4.5Å; W347-V390 VanDerWaalsContact O-CG2 3.3Å; W347-V390 WeakPolarHBondContact O-CG2 3.46Å; R350-V390 HydrophobicContact CB-CG1 3.74Å; R350-V390 HydrophobicContact CB-CG2 4.27Å; R351-V390 HydrophobicContact CB-CG2 4.02Å; E385-V390 HydrophobicContact CG-CB 3.67Å; E385-V390 HydrophobicContact CG-CG1 3.69Å; E387-V390 HydrophobicContact CB-CB 3.98Å; E387-V390 HydrophobicContact CB-CG2 3.64Å; E387-V390 HydrophobicContact CG-CG2 4.49Å; E387-V390 PolarHBondContact O-N 2.77Å; V390-A392 VanDerWaalsContact C-N 3.31Å; V390-A392 PolarHBondContact O-N 3.34Å; V390-D393 PolarHBondContact O-N 3.36Å; V390-D393 VanDerWaalsContact O-N 3.12Å; V390-V394 HydrophobicContact CG1-CG2 4.43Å; V390-V394 WeakPolarHBondContact O-CG2 3.46Å; V390-V394 PolarHBondContact O-N 3.06Å
391K93.3Very high92.2Very high10 Ų1030.9 Ų30.94%0.04315%0.15CC..Hα-helixtrans-53.9-45.9177.2-169.4-172.6-63.3-166.60111.6E385 E387 V394 F395 E445 T450E385-K391 HydrophobicContact CB-CB 4.02Å; E385-K391 HydrophobicContact CB-CG 4.4Å; E385-K391 HydrophobicContact CG-CB 4.26Å; E385-K391 WeakPolarHBondContact O-CE 3.14Å; E385-K391 PolarHBondContact O-NZ 3.3Å; E387-K391 WeakPolarHBondContact O-CB 2.76Å; E387-K391 PolarHBondContact O-N 2.81Å; K391-V394 WeakPolarHBondContact O-CB 3.27Å; K391-V394 PolarHBondContact O-N 3.18Å; K391-F395 HydrophobicContact CD-CE2 3.88Å; K391-F395 HydrophobicContact CG-CD2 3.94Å; K391-F395 HydrophobicContact CG-CE2 3.62Å; K391-F395 WeakPolarHBondContact O-CD2 3.41Å; K391-F395 PolarHBondContact O-N 2.88Å; K391-E445 VanDerWaalsContact NZ-CD 3.3Å; K391-E445 IonicContact NZ-OE1 3.88Å; K391-E445 PolarHBondContact NZ-OE1 3.1Å; K391-E445 VanDerWaalsContact NZ-OE1 3.12Å; K391-E445 IonicContact NZ-OE2 3.67Å; K391-E445 PolarHBondContact NZ-OE2 3.04Å; K391-T450 HydrophobicContact CD-CG2 3.66Å
392A91.6Very high92.2Very high5 Ų528.4 Ų28.44%0.04113%0.132CC..Hα-helixtrans-62-43.6177.600000112.9E388 V390 V394 F395 H396 K449E388-A392 WeakPolarHBondContact O-CB 3.42Å; E388-A392 PolarHBondContact O-N 3.42Å; V390-A392 VanDerWaalsContact C-N 3.31Å; V390-A392 PolarHBondContact O-N 3.34Å; A392-V394 VanDerWaalsContact C-N 3.33Å; A392-F395 PolarHBondContact O-N 3.38Å; A392-H396 VanDerWaalsContact O-CG 3.28Å; A392-H396 PolarHBondContact O-N 3.23Å; A392-K449 HydrophobicContact CB-CD 4.47Å
393D93.9Very high91.9Very high23 Ų2332.5 Ų32.512%0.12315%0.151CC..Hα-helixtrans-68.3-31.6177.4-75.3-43000111.6R351 A354 K355 N389 V390 H396 A397R351-D393 WeakPolarHBondContact CG-OD2 3.28Å; R351-D393 IonicContact CZ-OD2 2.93Å; R351-D393 IonicContact NE-OD2 3.48Å; R351-D393 PolarHBondContact NE-OD2 3.27Å; R351-D393 IonicContact NH2-OD2 2.89Å; A354-D393 HydrophobicContact CB-CB 4.02Å; K355-D393 WeakPolarHBondContact CE-OD1 3.31Å; K355-D393 WeakPolarHBondContact CE-OD2 3.47Å; K355-D393 HydrophobicContact CG-CB 4.29Å; N389-D393 PolarHBondContact O-N 3.09Å; V390-D393 PolarHBondContact O-N 3.36Å; V390-D393 VanDerWaalsContact O-N 3.12Å; D393-H396 PolarHBondContact O-N 3.09Å; D393-A397 PolarHBondContact O-N 2.82Å
394V96.1Very high91.4Very high0 Ų035.2 Ų35.20%016%0.164CC..Hα-helixtrans-63.8-46.6170.5170.30000111.4L305 A354 L379 R382 F383 V390 K391 A392 H396 A397 Y398L305-V394 HydrophobicContact CD1-CG2 4.05Å; A354-V394 HydrophobicContact CB-CG2 4.02Å; L379-V394 HydrophobicContact CB-CG1 4.39Å; L379-V394 HydrophobicContact CD2-CG1 3.99Å; R382-V394 HydrophobicContact CB-CG1 4.05Å; R382-V394 HydrophobicContact CB-CG2 4.29Å; F383-V394 HydrophobicContact CD1-CG1 3.86Å; F383-V394 HydrophobicContact CE1-CG1 4.1Å; V390-V394 HydrophobicContact CG1-CG2 4.43Å; V390-V394 WeakPolarHBondContact O-CG2 3.46Å; V390-V394 PolarHBondContact O-N 3.06Å; K391-V394 WeakPolarHBondContact O-CB 3.27Å; K391-V394 PolarHBondContact O-N 3.18Å; A392-V394 VanDerWaalsContact C-N 3.33Å; V394-H396 VanDerWaalsContact C-N 3.34Å; V394-H396 PolarHBondContact O-N 2.86Å; V394-A397 PolarHBondContact O-N 3.09Å; V394-Y398 PolarHBondContact O-N 3Å; V394-Y398 VanDerWaalsContact O-N 3.17Å
395F94.5Very high91.2Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-60.9-42.6174.8-82.3-63000112F383 K391 A392 Y398 L399 L439 T450 C453 M457F383-F395 HydrophobicContact CB-CE1 4.41Å; F383-F395 HydrophobicContact CB-CZ 4.21Å; F383-F395 HydrophobicContact CD1-CD1 4.15Å; F383-F395 AromaticContact CD1-CE1 3.87Å; F383-F395 HydrophobicContact CD1-CE1 3.87Å; F383-F395 HydrophobicContact CD1-CZ 4.34Å; F383-F395 AromaticContact CD2-CE1 3.93Å; F383-F395 HydrophobicContact CD2-CE1 3.93Å; F383-F395 HydrophobicContact CD2-CZ 4.5Å; F383-F395 HydrophobicContact CE1-CD1 4Å; F383-F395 HydrophobicContact CE1-CE1 4.06Å; F383-F395 HydrophobicContact CE2-CE1 4.12Å; F383-F395 AromaticContact CG-CE1 3.82Å; F383-F395 HydrophobicContact CG-CE1 3.82Å; F383-F395 HydrophobicContact CG-CZ 4.12Å; F383-F395 HydrophobicContact CZ-CD1 4.26Å; F383-F395 HydrophobicContact CZ-CE1 4.19Å; K391-F395 HydrophobicContact CD-CE2 3.88Å; K391-F395 HydrophobicContact CG-CD2 3.94Å; K391-F395 HydrophobicContact CG-CE2 3.62Å; K391-F395 WeakPolarHBondContact O-CD2 3.41Å; K391-F395 PolarHBondContact O-N 2.88Å; A392-F395 PolarHBondContact O-N 3.38Å; F395-Y398 PolarHBondContact O-N 3.37Å; F395-L399 WeakPolarHBondContact O-CB 3.42Å; F395-L399 WeakPolarHBondContact O-CG 3.45Å; F395-L399 PolarHBondContact O-N 3.38Å; F395-L439 HydrophobicContact CE1-CD2 3.54Å; F395-L439 HydrophobicContact CZ-CD2 4.14Å; F395-T450 HydrophobicContact CE2-CG2 4.26Å; F395-C453 HydrophobicContact CB-CB 3.88Å; F395-C453 HydrophobicContact CD1-CB 4.16Å; F395-C453 HydrophobicContact CD2-CB 3.59Å; F395-C453 HydrophobicContact CE2-CB 4.12Å; F395-C453 HydrophobicContact CG-CB 3.61Å; F395-M457 HydrophobicContact CD1-CE 3.82Å; F395-M457 WeakPolarHBondContact O-CE 3.41Å
396H93.2Very high90.5Very high92 Ų9236.9 Ų36.943%0.42617%0.168SC..Hα-helixtrans-61.7-44.8176.6-69.9163.2000112.2A392 D393 V394 Y398 L399 S400A392-H396 VanDerWaalsContact O-CG 3.28Å; A392-H396 PolarHBondContact O-N 3.23Å; D393-H396 PolarHBondContact O-N 3.09Å; V394-H396 VanDerWaalsContact C-N 3.34Å; V394-H396 PolarHBondContact O-N 2.86Å; H396-Y398 VanDerWaalsContact C-N 3.26Å; H396-Y398 PolarHBondContact O-N 3.29Å; H396-L399 PolarHBondContact O-N 2.69Å; H396-S400 PolarHBondContact O-N 2.93Å; H396-S400 PolarHBondContact O-OG 3.47Å
397A94.7Very high89.3Confident0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-58.1-40.117700000112.1D358 L379 D393 V394 S400 L401D358-A397 HydrophobicContact CB-CB 3.84Å; L379-A397 HydrophobicContact CD1-CB 3.97Å; L379-A397 HydrophobicContact CD2-CB 4.13Å; D393-A397 PolarHBondContact O-N 2.82Å; V394-A397 PolarHBondContact O-N 3.09Å; A397-S400 PolarHBondContact O-N 3.34Å; A397-L401 PolarHBondContact O-N 3.41Å
398Y95.8Very high87.9Confident1 Ų135.4 Ų35.40%0.00417%0.174CC..Hα-helixtrans-74-37.3177.4-161.7-70.8000112.5S376 L379 I380 F383 V394 F395 H396 S400 L401 L402 I435 M457S376-Y398 WeakPolarHBondContact OG-CE2 3.33Å; S376-Y398 PolarHBondContact OG-OH 3.29Å; L379-Y398 HydrophobicContact CB-CD2 3.89Å; L379-Y398 HydrophobicContact CD1-CD2 4.19Å; I380-Y398 HydrophobicContact CD1-CE2 3.93Å; I380-Y398 HydrophobicContact CG1-CD2 4.26Å; I380-Y398 HydrophobicContact CG1-CE2 3.55Å; F383-Y398 HydrophobicContact CE1-CD2 4.27Å; F383-Y398 HydrophobicContact CE1-CG 4.29Å; F383-Y398 HydrophobicContact CZ-CD1 4.33Å; F383-Y398 AromaticContact CZ-CD2 3.89Å; F383-Y398 HydrophobicContact CZ-CD2 3.89Å; F383-Y398 HydrophobicContact CZ-CE2 4.45Å; F383-Y398 AromaticContact CZ-CG 3.84Å; F383-Y398 HydrophobicContact CZ-CG 3.84Å; V394-Y398 PolarHBondContact O-N 3Å; V394-Y398 VanDerWaalsContact O-N 3.17Å; F395-Y398 PolarHBondContact O-N 3.37Å; H396-Y398 VanDerWaalsContact C-N 3.26Å; H396-Y398 PolarHBondContact O-N 3.29Å; Y398-S400 VanDerWaalsContact C-N 3.29Å; Y398-S400 PolarHBondContact O-N 3.37Å; Y398-L401 WeakPolarHBondContact O-CA 3.46Å; Y398-L401 VanDerWaalsContact O-CB 3.31Å; Y398-L401 WeakPolarHBondContact O-CB 3.24Å; Y398-L401 PolarHBondContact O-N 3.39Å; Y398-L401 VanDerWaalsContact O-N 3.08Å; Y398-L402 HydrophobicContact CD1-CD1 4.18Å; Y398-L402 HydrophobicContact CD1-CG 4Å; Y398-L402 HydrophobicContact CE1-CD1 4.11Å; Y398-L402 HydrophobicContact CE1-CD2 3.95Å; Y398-L402 HydrophobicContact CE1-CG 3.86Å; Y398-L402 PolarHBondContact O-N 3.42Å; Y398-I435 HydrophobicContact CE1-CD1 4.22Å; Y398-I435 WeakPolarHBondContact OH-CD1 3.48Å; Y398-I435 WeakPolarHBondContact OH-CG1 3.1Å; Y398-M457 HydrophobicContact CD1-CE 3.68Å; Y398-M457 HydrophobicContact CD1-SD 3.36Å; Y398-M457 WeakPolarHBondContact CD1-SD 3.45Å; Y398-M457 HydrophobicContact CE1-SD 4Å; Y398-M457 HydrophobicContact CG-CE 3.97Å; Y398-M457 HydrophobicContact CG-SD 4.24Å
399L93.6Very high86.2Confident18 Ų1833.6 Ų33.69%0.09417%0.166CC..Hα-helixtrans-60.1-40.5171.9-80.6170.2000111.4F395 H396 L401 L402 K403 N456 M457 E460F395-L399 WeakPolarHBondContact O-CB 3.42Å; F395-L399 WeakPolarHBondContact O-CG 3.45Å; F395-L399 PolarHBondContact O-N 3.38Å; H396-L399 PolarHBondContact O-N 2.69Å; L399-L401 VanDerWaalsContact C-N 3.28Å; L399-L401 PolarHBondContact O-N 2.97Å; L399-L402 PolarHBondContact O-N 3.33Å; L399-K403 WeakPolarHBondContact O-CB 3.49Å; L399-K403 WeakPolarHBondContact O-CG 3.33Å; L399-K403 PolarHBondContact O-N 2.8Å; L399-N456 HydrophobicContact CD1-CB 4.29Å; L399-M457 HydrophobicContact CD2-CE 4.15Å; L399-M457 HydrophobicContact CD2-SD 4Å; L399-M457 HydrophobicContact CG-CE 3.73Å; L399-M457 HydrophobicContact CG-SD 4.23Å; L399-E460 HydrophobicContact CD2-CB 3.92Å; L399-E460 HydrophobicContact CD2-CG 4.44Å
400S90.6Very high84.4Confident23 Ų2335 Ų3516%0.16118%0.181CC..Hα-helixtrans-60.3-38.6172.8-65.50000111.6D358 H396 A397 Y398 K403 Q404D358-S400 VanDerWaalsContact OD1-CB 3.23Å; D358-S400 WeakPolarHBondContact OD1-CB 3.44Å; D358-S400 PolarHBondContact OD1-OG 2.96Å; H396-S400 PolarHBondContact O-N 2.93Å; H396-S400 PolarHBondContact O-OG 3.47Å; A397-S400 PolarHBondContact O-N 3.34Å; Y398-S400 VanDerWaalsContact C-N 3.29Å; Y398-S400 PolarHBondContact O-N 3.37Å; S400-K403 PolarHBondContact O-N 2.89Å; S400-Q404 WeakPolarHBondContact O-CB 3.38Å; S400-Q404 WeakPolarHBondContact O-CG 3.46Å; S400-Q404 PolarHBondContact O-N 2.71Å
401L93.4Very high82.2Confident0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-63.2-45175.2-176.862000112.2V361 L368 F371 Y372 A397 Y398 L399 Q404 T405V361-L401 VanDerWaalsContact CG1-CA 3.45Å; V361-L401 HydrophobicContact CG1-CB 3.79Å; V361-L401 HydrophobicContact CG1-CD1 4Å; L368-L401 HydrophobicContact CD2-CD1 3.6Å; F371-L401 HydrophobicContact CB-CD1 3.95Å; F371-L401 HydrophobicContact CD2-CD1 4.3Å; Y372-L401 HydrophobicContact CD1-CD2 4.17Å; Y372-L401 HydrophobicContact CE1-CD2 3.82Å; Y372-L401 HydrophobicContact CE1-CG 4.15Å; Y372-L401 HydrophobicContact CE2-CD1 4.16Å; Y372-L401 HydrophobicContact CE2-CG 4.35Å; A397-L401 PolarHBondContact O-N 3.41Å; Y398-L401 WeakPolarHBondContact O-CA 3.46Å; Y398-L401 VanDerWaalsContact O-CB 3.31Å; Y398-L401 WeakPolarHBondContact O-CB 3.24Å; Y398-L401 PolarHBondContact O-N 3.39Å; Y398-L401 VanDerWaalsContact O-N 3.08Å; L399-L401 VanDerWaalsContact C-N 3.28Å; L399-L401 PolarHBondContact O-N 2.97Å; L401-Q404 PolarHBondContact O-N 3.45Å; L401-T405 PolarHBondContact O-N 3.49Å; L401-T405 VanDerWaalsContact O-N 3.16Å; L401-T405 PolarHBondContact O-OG1 3.1Å
402L91.8Very high80.1Confident0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-63.2-45176-67.5-178.9000111.7Y398 L399 Q404 T405 R406 L428 M457 E460 L461 V464Y398-L402 HydrophobicContact CD1-CD1 4.18Å; Y398-L402 HydrophobicContact CD1-CG 4Å; Y398-L402 HydrophobicContact CE1-CD1 4.11Å; Y398-L402 HydrophobicContact CE1-CD2 3.95Å; Y398-L402 HydrophobicContact CE1-CG 3.86Å; Y398-L402 PolarHBondContact O-N 3.42Å; L399-L402 PolarHBondContact O-N 3.33Å; L402-Q404 VanDerWaalsContact C-N 3.34Å; L402-Q404 PolarHBondContact O-N 3.23Å; L402-T405 WeakPolarHBondContact O-CA 3.41Å; L402-T405 WeakPolarHBondContact O-CB 3.14Å; L402-T405 PolarHBondContact O-N 3.31Å; L402-R406 PolarHBondContact O-N 2.98Å; L402-R406 VanDerWaalsContact O-N 3.12Å; L402-L428 HydrophobicContact CD2-CD1 3.71Å; L402-L428 HydrophobicContact CD2-CD2 3.67Å; L402-L428 HydrophobicContact CD2-CG 4.37Å; L402-M457 HydrophobicContact CD1-SD 3.45Å; L402-M457 WeakPolarHBondContact CD1-SD 3.21Å; L402-M457 HydrophobicContact CG-SD 4.43Å; L402-E460 HydrophobicContact CB-CB 4.47Å; L402-E460 HydrophobicContact CB-CG 3.75Å; L402-E460 HydrophobicContact CD1-CB 4.08Å; L402-E460 HydrophobicContact CD1-CG 4.27Å; L402-L461 HydrophobicContact CD1-CB 4.15Å; L402-L461 HydrophobicContact CD2-CD1 4.22Å; L402-V464 HydrophobicContact CB-CG2 4.44Å; L402-V464 WeakPolarHBondContact O-CG2 3.44Å
403K86.5Confident77.7Confident121 Ų12147.3 Ų47.353%0.52625%0.249SC..Hα-helixtrans-60.8-40.6177.4-74.9176.5179.7-1800112.6L399 S400 T405 R406 P407 E460L399-K403 WeakPolarHBondContact O-CB 3.49Å; L399-K403 WeakPolarHBondContact O-CG 3.33Å; L399-K403 PolarHBondContact O-N 2.8Å; S400-K403 PolarHBondContact O-N 2.89Å; K403-T405 PolarHBondContact O-N 3.36Å; K403-R406 PolarHBondContact O-N 3.16Å; K403-P407 WeakPolarHBondContact O-CD 3.47Å; K403-E460 HydrophobicContact CG-CG 4.23Å
404Q83.5Confident75.5Confident58 Ų5848 Ų4827%0.27125%0.253SS..Hα-helixtrans-66.2-22.4174.2-69.9-68.1-13.400112.6V361 S362 L368 S400 L401 L402V361-Q404 HydrophobicContact CG1-CG 4.48Å; S362-Q404 PolarHBondContact O-NE2 2.86Å; L368-Q404 HydrophobicContact CD2-CB 3.98Å; S400-Q404 WeakPolarHBondContact O-CB 3.38Å; S400-Q404 WeakPolarHBondContact O-CG 3.46Å; S400-Q404 PolarHBondContact O-N 2.71Å; L401-Q404 PolarHBondContact O-N 3.45Å; L402-Q404 VanDerWaalsContact C-N 3.34Å; L402-Q404 PolarHBondContact O-N 3.23Å
405T85.8Confident73.1Confident0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-86-19.8177.4-50.20000112.5Y372 L401 L402 K403 V408 P424 L425 V464Y372-T405 HydrophobicContact CE2-CG2 4.42Å; Y372-T405 PolarHBondContact OH-OG1 3.25Å; L401-T405 PolarHBondContact O-N 3.49Å; L401-T405 VanDerWaalsContact O-N 3.16Å; L401-T405 PolarHBondContact O-OG1 3.1Å; L402-T405 WeakPolarHBondContact O-CA 3.41Å; L402-T405 WeakPolarHBondContact O-CB 3.14Å; L402-T405 PolarHBondContact O-N 3.31Å; K403-T405 PolarHBondContact O-N 3.36Å; T405-V408 WeakPolarHBondContact O-CB 3.5Å; T405-V408 WeakPolarHBondContact O-CG2 3.28Å; T405-V408 PolarHBondContact O-N 3.3Å; T405-V408 VanDerWaalsContact O-N 3.17Å; T405-P424 HydrophobicContact CG2-CB 4.42Å; T405-L425 HydrophobicContact CG2-CD2 3.72Å; T405-L425 HydrophobicContact CG2-CG 4.31Å; T405-V464 HydrophobicContact CG2-CG1 4.01Å
406R76.7Confident71Confident124 Ų12456.4 Ų56.447%0.46830%0.303SS..G310 helixtrans-61.6-42.5-175.9-170.7176.8176-174.8-4.1115.4L402 K403 V408 Q409 V464L402-R406 PolarHBondContact O-N 2.98Å; L402-R406 VanDerWaalsContact O-N 3.12Å; K403-R406 PolarHBondContact O-N 3.16Å; R406-V408 PolarHBondContact O-N 3.42Å; R406-Q409 VanDerWaalsContact O-CB 3.31Å; R406-Q409 WeakPolarHBondContact O-CB 3.48Å; R406-Q409 VanDerWaalsContact O-CG 3.27Å; R406-Q409 WeakPolarHBondContact O-CG 3.47Å; R406-Q409 PolarHBondContact O-N 2.77Å; R406-V464 HydrophobicContact CB-CG2 4.07Å; R406-V464 HydrophobicContact CG-CG2 4.49Å
407P63.2Low68.8Low100 Ų10052.7 Ų52.765%0.64929%0.288SS*.G310 helixtrans-58.4-21.1176.8-23.734.2000113.5K403 Q409K403-P407 WeakPolarHBondContact O-CD 3.47Å; P407-Q409 PolarHBondContact O-N 3.49Å
408V57.8Low66.6Low15 Ų1559.2 Ų59.29%0.09132%0.32CS..G310 helixtrans-73.4-1.4176.2-161.90000111.9T405 R406 S410 W411 L425T405-V408 WeakPolarHBondContact O-CB 3.5Å; T405-V408 WeakPolarHBondContact O-CG2 3.28Å; T405-V408 PolarHBondContact O-N 3.3Å; T405-V408 VanDerWaalsContact O-N 3.17Å; R406-V408 PolarHBondContact O-N 3.42Å; V408-S410 VanDerWaalsContact C-N 3.3Å; V408-S410 PolarHBondContact O-N 3.39Å; V408-W411 HydrophobicContact CG1-CG 4.25Å; V408-W411 WeakPolarHBondContact O-CB 3.35Å; V408-W411 PolarHBondContact O-N 2.97Å; V408-L425 HydrophobicContact CB-CD1 4.42Å; V408-L425 HydrophobicContact CG1-CD1 4.05Å; V408-L425 HydrophobicContact CG1-CG 4.35Å
409Q53Low64.2Low48 Ų4867.6 Ų67.622%0.22436%0.359CS..G310 helixtrans-69.1-21.8176.4-76.1-167.8-5100115.1R406 P407 W411 L412 N463 V464R406-Q409 VanDerWaalsContact O-CB 3.31Å; R406-Q409 WeakPolarHBondContact O-CB 3.48Å; R406-Q409 VanDerWaalsContact O-CG 3.27Å; R406-Q409 WeakPolarHBondContact O-CG 3.47Å; R406-Q409 PolarHBondContact O-N 2.77Å; P407-Q409 PolarHBondContact O-N 3.49Å; Q409-W411 PolarHBondContact O-N 3.22Å; Q409-L412 HydrophobicContact CG-CD1 4.49Å; Q409-L412 PolarHBondContact O-N 2.92Å; Q409-N463 VanDerWaalsContact CD-O 3.26Å; Q409-N463 PolarHBondContact NE2-O 3.17Å; Q409-N463 PolarHBondContact OE1-O 3.16Å; Q409-V464 PolarHBondContact NE2-O 3.31Å
410S49.9Very low62Low97 Ų9770 Ų7068%0.67837%0.37SS*.G310 helixtrans-52.4-24.3176.2-170.20000112.1V408V408-S410 VanDerWaalsContact C-N 3.3Å; V408-S410 PolarHBondContact O-N 3.39Å
411W47.2Very low60.3Low62 Ų6271.8 Ų71.824%0.23539%0.392CS..G310 helixtrans-71.4-24.5178.1-64.275.5000115.8V408 Q409 C413 D414 A417V408-W411 HydrophobicContact CG1-CG 4.25Å; V408-W411 WeakPolarHBondContact O-CB 3.35Å; V408-W411 PolarHBondContact O-N 2.97Å; Q409-W411 PolarHBondContact O-N 3.22Å; W411-C413 PolarHBondContact O-N 3.25Å; W411-D414 PolarHBondContact O-N 3.37Å; W411-A417 HydrophobicContact CE3-CB 3.75Å; W411-A417 HydrophobicContact CZ3-CB 4.29Å
412L48.9Very low58.9Low95 Ų9578 Ų7850%0.49742%0.421SS..G310 helixtrans-70.2-12.2-178.1-75.5163.4000112.9Q409 D414Q409-L412 HydrophobicContact CG-CD1 4.49Å; Q409-L412 PolarHBondContact O-N 2.92Å; L412-D414 VanDerWaalsContact C-N 3.31Å
413C42.6Very low58Low116 Ų11679.5 Ų79.578%0.78443%0.43SS*.G310 helixtrans-81.2-6.1171.3-76.40000113.8W411 P415W411-C413 PolarHBondContact O-N 3.25Å; C413-P415 WeakPolarHBondContact O-CD 3.5Å
414D46.2Very low57.8Low39 Ų3974.7 Ų74.721%0.20941%0.412CS..  trans-113.1100.7176.8-165.2-11.5000110.2W411 L412 D416 A417 S1039W411-D414 PolarHBondContact O-N 3.37Å; L412-D414 VanDerWaalsContact C-N 3.31Å; D414-D416 PolarHBondContact O-N 3.36Å; D414-D416 VanDerWaalsContact O-N 3.08Å; D414-D416 PolarHBondContact OD1-N 3.41Å; D414-A417 HydrophobicContact CB-CB 4.35Å; D414-A417 WeakPolarHBondContact O-CB 3.47Å; D414-A417 PolarHBondContact O-N 3.01Å; D414-A417 VanDerWaalsContact O-N 3.1Å; D414-S1039 WeakPolarHBondContact OD2-CB 3.45Å; D414-S1039 PolarHBondContact OD2-OG 3.44Å
415P46.5Very low57.8Low93 Ų9372.6 Ų72.660%0.60440%0.402SS*.G310 helixtrans-53.6-26.5176.8-2432.9000113.6C413 A417C413-P415 WeakPolarHBondContact O-CD 3.5Å; P415-A417 VanDerWaalsContact C-N 3.34Å
416D50.2Low57.8Low83 Ų8374.8 Ų74.844%0.44442%0.416SS..G310 helixtrans-81.8-10.8-176.4-66.3-19.2000113D414 M418D414-D416 PolarHBondContact O-N 3.36Å; D414-D416 VanDerWaalsContact O-N 3.08Å; D414-D416 PolarHBondContact OD1-N 3.41Å; D416-M418 VanDerWaalsContact C-N 3.34Å
417A47.4Very low58.3Low13 Ų1369.7 Ų69.711%0.10740%0.397CS..G310 helixtrans-75.5-20.9176.400000113.3W411 D414 P415 E419 Q420W411-A417 HydrophobicContact CE3-CB 3.75Å; W411-A417 HydrophobicContact CZ3-CB 4.29Å; D414-A417 HydrophobicContact CB-CB 4.35Å; D414-A417 WeakPolarHBondContact O-CB 3.47Å; D414-A417 PolarHBondContact O-N 3.01Å; D414-A417 VanDerWaalsContact O-N 3.1Å; P415-A417 VanDerWaalsContact C-N 3.34Å; A417-E419 PolarHBondContact O-N 3.41Å; A417-Q420 PolarHBondContact O-N 2.82Å
418M47Very low59.7Low138 Ų13864.9 Ų64.968%0.6837%0.366SS*.G310 helixtrans-69.9-17179.7-69-173.971.300113.4D416D416-M418 VanDerWaalsContact C-N 3.34Å
419E46.1Very low61.2Low176 Ų17669.4 Ų69.482%0.82239%0.386SS*.G310 helixtrans-83.9-7.4179.3-65.9-166.5158.200113.8A417 G421A417-E419 PolarHBondContact O-N 3.41Å; E419-G421 PolarHBondContact O-N 3.04Å
420Q48.3Very low63Low69 Ų6971 Ų7132%0.32240%0.403SS..SBendtrans-100.881.6-173.4-65.8-170.5-53.700113.5A417 T423 K1005 D1043A417-Q420 PolarHBondContact O-N 2.82Å; Q420-T423 WeakPolarHBondContact O-CG2 3.33Å; Q420-K1005 VanDerWaalsContact CD-NZ 3.28Å; Q420-D1043 PolarHBondContact NE2-OD2 3.44Å
421G54.9Low65.1Low60 Ų6067.3 Ų67.362%0.61938%0.375SS*.SBendtrans64.9-174.9160.600000117.6E419 T423E419-G421 PolarHBondContact O-N 3.04Å; G421-T423 PolarHBondContact O-N 2.9Å
422E62.2Low67.3Low131 Ų13164.6 Ų64.661%0.61237%0.365SS*.  trans-70.692.1173.9-69.6-179.1166.600109.8K373 M427K373-E422 WeakPolarHBondContact CE-OE2 3.31Å; K373-E422 IonicContact NZ-OE2 2.72Å; K373-E422 PolarHBondContact NZ-OE2 3.43Å; E422-M427 HydrophobicContact CB-CG 4.14Å; E422-M427 HydrophobicContact CB-SD 4.36Å
423T75Confident69.5Low32 Ų3263 Ų6320%0.19636%0.36CS..  trans-83.2156.2169.569.80000110Q420 G421 L425 T426 M427Q420-T423 WeakPolarHBondContact O-CG2 3.33Å; G421-T423 PolarHBondContact O-N 2.9Å; T423-L425 PolarHBondContact O-N 3.34Å; T423-L425 VanDerWaalsContact O-N 3.08Å; T423-T426 PolarHBondContact N-OG1 3.09Å; T423-T426 PolarHBondContact O-N 3.39Å; T423-T426 VanDerWaalsContact O-N 3.08Å; T423-T426 PolarHBondContact O-OG1 3.12Å; T423-T426 VanDerWaalsContact O-OG1 3.06Å; T423-T426 WeakPolarHBondContact OG1-CG2 3.47Å; T423-T426 PolarHBondContact OG1-N 2.9Å; T423-T426 PolarHBondContact OG1-OG1 3.01Å; T423-M427 WeakPolarHBondContact O-CB 3.19Å; T423-M427 VanDerWaalsContact O-CG 3.28Å; T423-M427 WeakPolarHBondContact O-CG 3.44Å; T423-M427 PolarHBondContact O-N 3.38Å
424P81.8Confident71.9Confident20 Ų2061.8 Ų61.813%0.1335%0.346CS..Hα-helixtrans-51.3-33.7173.4-2936.2000113.5L368 P369 Y372 T405 L428L368-P424 HydrophobicContact CB-CB 4.37Å; L368-P424 HydrophobicContact CB-CG 4.04Å; P369-P424 HydrophobicContact CG-CG 4.08Å; Y372-P424 HydrophobicContact CD2-CB 3.9Å; Y372-P424 HydrophobicContact CE2-CB 3.8Å; T405-P424 HydrophobicContact CG2-CB 4.42Å; P424-L428 WeakPolarHBondContact O-CB 3.39Å; P424-L428 PolarHBondContact O-N 3.21Å
425L83.4Confident74.2Confident14 Ų1460 Ų607%0.07334%0.336CS..Hα-helixtrans-70.8-44.6176.8-71172.2000112.6T405 V408 T423 M427 L428 Q429 V464 L465T405-L425 HydrophobicContact CG2-CD2 3.72Å; T405-L425 HydrophobicContact CG2-CG 4.31Å; V408-L425 HydrophobicContact CB-CD1 4.42Å; V408-L425 HydrophobicContact CG1-CD1 4.05Å; V408-L425 HydrophobicContact CG1-CG 4.35Å; T423-L425 PolarHBondContact O-N 3.34Å; T423-L425 VanDerWaalsContact O-N 3.08Å; L425-M427 VanDerWaalsContact C-N 3.3Å; L425-M427 PolarHBondContact O-N 3.33Å; L425-L428 PolarHBondContact O-N 2.96Å; L425-Q429 WeakPolarHBondContact O-CB 3.47Å; L425-Q429 PolarHBondContact O-N 3.18Å; L425-V464 HydrophobicContact CD2-CG1 3.85Å; L425-L465 HydrophobicContact CB-CD2 4.46Å; L425-L465 HydrophobicContact CD2-CD2 3.84Å; L425-L465 HydrophobicContact CD2-CG 4.47Å
426T84.9Confident76.4Confident46 Ų4655.7 Ų55.728%0.28231%0.309SS..Hα-helixtrans-67.8-34.8177.259.10000111.2T423 Q429 S430T423-T426 PolarHBondContact N-OG1 3.09Å; T423-T426 PolarHBondContact O-N 3.39Å; T423-T426 VanDerWaalsContact O-N 3.08Å; T423-T426 PolarHBondContact O-OG1 3.12Å; T423-T426 VanDerWaalsContact O-OG1 3.06Å; T423-T426 WeakPolarHBondContact OG1-CG2 3.47Å; T423-T426 PolarHBondContact OG1-N 2.9Å; T423-T426 PolarHBondContact OG1-OG1 3.01Å; T426-Q429 PolarHBondContact O-N 2.78Å; T426-S430 PolarHBondContact O-N 2.65Å
427M88.6Confident78.4Confident16 Ų1658.4 Ų58.48%0.07932%0.316CS..Hα-helixtrans-63.6-48171.5-68-173.675.900112.2P369 Y372 K373 E422 T423 L425 Q429 S430 Q431P369-M427 HydrophobicContact CB-SD 4.41Å; Y372-M427 HydrophobicContact CG-CB 4.21Å; K373-M427 HydrophobicContact CB-CE 4.33Å; K373-M427 HydrophobicContact CD-CE 4.17Å; K373-M427 HydrophobicContact CG-CE 3.28Å; E422-M427 HydrophobicContact CB-CG 4.14Å; E422-M427 HydrophobicContact CB-SD 4.36Å; T423-M427 WeakPolarHBondContact O-CB 3.19Å; T423-M427 VanDerWaalsContact O-CG 3.28Å; T423-M427 WeakPolarHBondContact O-CG 3.44Å; T423-M427 PolarHBondContact O-N 3.38Å; L425-M427 VanDerWaalsContact C-N 3.3Å; L425-M427 PolarHBondContact O-N 3.33Å; M427-Q429 VanDerWaalsContact C-N 3.33Å; M427-Q429 PolarHBondContact O-N 3.1Å; M427-S430 PolarHBondContact O-N 2.91Å; M427-S430 PolarHBondContact O-OG 3.45Å; M427-Q431 WeakPolarHBondContact O-CG 3.32Å; M427-Q431 PolarHBondContact O-N 3.11Å
428L91.3Very high80.6Confident0 Ų058.9 Ų58.90%032%0.32CS..Hα-helixtrans-59-45.3174.2175.161.2000111.2Y372 L402 P424 L425 S430 Q431 V432 I435 L461 V464 L465Y372-L428 HydrophobicContact CD1-CB 4.42Å; Y372-L428 HydrophobicContact CE1-CB 3.74Å; Y372-L428 HydrophobicContact CE1-CD1 3.82Å; Y372-L428 HydrophobicContact CE1-CG 4.28Å; L402-L428 HydrophobicContact CD2-CD1 3.71Å; L402-L428 HydrophobicContact CD2-CD2 3.67Å; L402-L428 HydrophobicContact CD2-CG 4.37Å; P424-L428 WeakPolarHBondContact O-CB 3.39Å; P424-L428 PolarHBondContact O-N 3.21Å; L425-L428 PolarHBondContact O-N 2.96Å; L428-S430 VanDerWaalsContact C-N 3.28Å; L428-S430 PolarHBondContact O-N 3.45Å; L428-Q431 CarbonylContact O-C 3.39Å; L428-Q431 WeakPolarHBondContact O-CA 3.35Å; L428-Q431 PolarHBondContact O-N 2.7Å; L428-V432 WeakPolarHBondContact O-CG2 3.34Å; L428-V432 PolarHBondContact O-N 3.42Å; L428-V432 VanDerWaalsContact O-N 3.1Å; L428-I435 HydrophobicContact CD1-CD1 3.82Å; L428-L461 HydrophobicContact CD1-CD1 3.97Å; L428-L461 HydrophobicContact CD2-CD1 4.05Å; L428-L461 HydrophobicContact CG-CD1 4.16Å; L428-V464 HydrophobicContact CD2-CG1 3.83Å; L428-L465 HydrophobicContact CB-CD1 4.25Å; L428-L465 HydrophobicContact CD2-CD1 3.7Å; L428-L465 HydrophobicContact CD2-CG 4.12Å; L428-L465 HydrophobicContact CG-CD1 3.7Å
429Q89.8Confident82.8Confident109 Ų10952.3 Ų52.351%0.50929%0.288SS..Hα-helixtrans-57.6-41.4177.7-172.1175.311.700111.6L425 T426 M427 Q431 V432 L465L425-Q429 WeakPolarHBondContact O-CB 3.47Å; L425-Q429 PolarHBondContact O-N 3.18Å; T426-Q429 PolarHBondContact O-N 2.78Å; M427-Q429 VanDerWaalsContact C-N 3.33Å; M427-Q429 PolarHBondContact O-N 3.1Å; Q429-Q431 PolarHBondContact O-N 3.26Å; Q429-V432 PolarHBondContact O-N 3.41Å; Q429-L465 HydrophobicContact CB-CD1 4.14Å
430S91.7Very high84.8Confident82 Ų8246 Ų4657%0.57326%0.259SS*.Hα-helixtrans-65-24175.379.60000113.6T426 M427 L428T426-S430 PolarHBondContact O-N 2.65Å; M427-S430 PolarHBondContact O-N 2.91Å; M427-S430 PolarHBondContact O-OG 3.45Å; L428-S430 VanDerWaalsContact C-N 3.28Å; L428-S430 PolarHBondContact O-N 3.45Å
431Q93.3Very high86.7Confident19 Ų1948.2 Ų48.29%0.08927%0.267CS..Hα-helixtrans-93-12.5-179.3-68.8-179.8-3.900113.8Y372 S376 I380 M427 L428 Q429 P433 N434 I435Y372-Q431 PolarHBondContact O-NE2 3.11Å; S376-Q431 VanDerWaalsContact CB-OE1 3.31Å; S376-Q431 PolarHBondContact OG-OE1 2.98Å; I380-Q431 HydrophobicContact CD1-CB 4.36Å; M427-Q431 WeakPolarHBondContact O-CG 3.32Å; M427-Q431 PolarHBondContact O-N 3.11Å; L428-Q431 CarbonylContact O-C 3.39Å; L428-Q431 WeakPolarHBondContact O-CA 3.35Å; L428-Q431 PolarHBondContact O-N 2.7Å; Q429-Q431 PolarHBondContact O-N 3.26Å; Q431-P433 VanDerWaalsContact C-CD 3.45Å; Q431-P433 VanDerWaalsContact C-N 3.33Å; Q431-N434 WeakPolarHBondContact O-CB 3.47Å; Q431-N434 PolarHBondContact O-N 3.33Å; Q431-I435 HydrophobicContact CB-CD1 4.39Å; Q431-I435 WeakPolarHBondContact O-CG1 3.32Å; Q431-I435 PolarHBondContact O-N 2.91Å
432V93.3Very high88.4Confident5 Ų545.8 Ų45.83%0.0324%0.24CC..Hα-helixtrans-48.4-45.6179.1173.70000113.2L428 Q429 N434 I435 V436 L461 L465 A468 L469L428-V432 WeakPolarHBondContact O-CG2 3.34Å; L428-V432 PolarHBondContact O-N 3.42Å; L428-V432 VanDerWaalsContact O-N 3.1Å; Q429-V432 PolarHBondContact O-N 3.41Å; V432-N434 VanDerWaalsContact C-N 3.3Å; V432-N434 PolarHBondContact O-N 2.9Å; V432-I435 PolarHBondContact O-N 3.37Å; V432-V436 HydrophobicContact CG1-CG2 4.2Å; V432-V436 WeakPolarHBondContact O-CG2 3.28Å; V432-V436 PolarHBondContact O-N 2.83Å; V432-L461 HydrophobicContact CG2-CD1 4.38Å; V432-L465 HydrophobicContact CG2-CD1 4.41Å; V432-A468 HydrophobicContact CG2-CB 4.3Å; V432-L469 HydrophobicContact CG1-CD2 4.09Å
433P94.1Very high89.8Confident61 Ų6139.6 Ų39.640%0.39621%0.21SC..Hα-helixtrans-59.8-38.9178.2-25.135.6000113.5Q431 K437Q431-P433 VanDerWaalsContact C-CD 3.45Å; Q431-P433 VanDerWaalsContact C-N 3.33Å; P433-K437 WeakPolarHBondContact O-CB 2.8Å; P433-K437 PolarHBondContact O-N 3.02Å
434N93.6Very high90.3Very high92 Ų9242.5 Ų42.549%0.49222%0.22SC..Hα-helixtrans-70.8-41.7179.3-64.6-32.9000111.3I380 Q431 V432 K437 A438I380-N434 HydrophobicContact CG2-CB 4.22Å; Q431-N434 WeakPolarHBondContact O-CB 3.47Å; Q431-N434 PolarHBondContact O-N 3.33Å; V432-N434 VanDerWaalsContact C-N 3.3Å; V432-N434 PolarHBondContact O-N 2.9Å; N434-K437 PolarHBondContact O-N 3.27Å; N434-A438 WeakPolarHBondContact O-CB 3.15Å; N434-A438 PolarHBondContact O-N 3.08Å
435I94.4Very high90.4Very high1 Ų144.3 Ų44.31%0.00523%0.227CC..Hα-helixtrans-58.5-50.7175-60.8164.8000109.6I380 F383 Y398 L428 Q431 V432 K437 A438 L439 L461I380-I435 HydrophobicContact CD1-CG1 3.65Å; I380-I435 HydrophobicContact CG1-CG1 4.06Å; F383-I435 HydrophobicContact CE2-CG2 4.41Å; Y398-I435 HydrophobicContact CE1-CD1 4.22Å; Y398-I435 WeakPolarHBondContact OH-CD1 3.48Å; Y398-I435 WeakPolarHBondContact OH-CG1 3.1Å; L428-I435 HydrophobicContact CD1-CD1 3.82Å; Q431-I435 HydrophobicContact CB-CD1 4.39Å; Q431-I435 WeakPolarHBondContact O-CG1 3.32Å; Q431-I435 PolarHBondContact O-N 2.91Å; V432-I435 PolarHBondContact O-N 3.37Å; I435-K437 PolarHBondContact O-N 3.26Å; I435-A438 PolarHBondContact O-N 3.17Å; I435-L439 HydrophobicContact CG2-CD1 3.65Å; I435-L439 HydrophobicContact CG2-CG 4.19Å; I435-L439 WeakPolarHBondContact O-CB 3.33Å; I435-L439 VanDerWaalsContact O-CG 3.27Å; I435-L439 WeakPolarHBondContact O-CG 3.21Å; I435-L439 PolarHBondContact O-N 2.63Å; I435-L461 HydrophobicContact CG2-CD2 4.3Å
436V93.7Very high90.5Very high3 Ų352.3 Ų52.32%0.01826%0.261CS..Hα-helixtrans-62.4-45.5-179.8170.10000111.3V432 A438 L439 H440 L469 H472 L476V432-V436 HydrophobicContact CG1-CG2 4.2Å; V432-V436 WeakPolarHBondContact O-CG2 3.28Å; V432-V436 PolarHBondContact O-N 2.83Å; V436-A438 VanDerWaalsContact C-N 3.26Å; V436-A438 PolarHBondContact O-N 3.3Å; V436-L439 PolarHBondContact O-N 3.07Å; V436-H440 WeakPolarHBondContact O-CB 3.46Å; V436-H440 PolarHBondContact O-N 3.44Å; V436-L469 HydrophobicContact CG2-CD2 3.72Å; V436-H472 HydrophobicContact CB-CB 4.33Å; V436-H472 HydrophobicContact CG1-CB 3.76Å; V436-H472 HydrophobicContact CG2-CB 3.89Å; V436-L476 HydrophobicContact CG1-CD2 4.16Å; V436-L476 HydrophobicContact CG1-CG 4.41Å
437K92.3Very high90.6Very high139 Ų13951.4 Ų51.460%0.60426%0.257SS*.Hα-helixtrans-57.2-42.5178.5-175.9179.7177.4-176.80111.1P433 N434 I435P433-K437 WeakPolarHBondContact O-CB 2.8Å; P433-K437 PolarHBondContact O-N 3.02Å; N434-K437 PolarHBondContact O-N 3.27Å; I435-K437 PolarHBondContact O-N 3.26Å
438A92.3Very high90.7Very high23 Ų2352.6 Ų52.619%0.1927%0.265CS..Hα-helixtrans-69.7-45.5177.600000112.3I380 F383 N434 I435 V436 Q442I380-A438 HydrophobicContact CG2-CB 3.95Å; F383-A438 HydrophobicContact CB-CB 4.11Å; F383-A438 HydrophobicContact CD2-CB 3.76Å; F383-A438 HydrophobicContact CG-CB 4.36Å; N434-A438 WeakPolarHBondContact O-CB 3.15Å; N434-A438 PolarHBondContact O-N 3.08Å; I435-A438 PolarHBondContact O-N 3.17Å; V436-A438 VanDerWaalsContact C-N 3.26Å; V436-A438 PolarHBondContact O-N 3.3Å; A438-Q442 WeakPolarHBondContact O-CG 3.41Å
439L93.3Very high90.5Very high0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-67-38.6-179.1-71.7177.6000113.3F383 F395 I435 V436 K441 Q442 M443 C454 M457 L458F383-L439 HydrophobicContact CD2-CD2 3.92Å; F383-L439 HydrophobicContact CD2-CG 4.21Å; F383-L439 HydrophobicContact CE2-CD2 3.98Å; F383-L439 HydrophobicContact CE2-CG 4.18Å; F395-L439 HydrophobicContact CE1-CD2 3.54Å; F395-L439 HydrophobicContact CZ-CD2 4.14Å; I435-L439 HydrophobicContact CG2-CD1 3.65Å; I435-L439 HydrophobicContact CG2-CG 4.19Å; I435-L439 WeakPolarHBondContact O-CB 3.33Å; I435-L439 VanDerWaalsContact O-CG 3.27Å; I435-L439 WeakPolarHBondContact O-CG 3.21Å; I435-L439 PolarHBondContact O-N 2.63Å; V436-L439 PolarHBondContact O-N 3.07Å; L439-K441 VanDerWaalsContact C-N 3.29Å; L439-K441 PolarHBondContact O-N 3.09Å; L439-Q442 WeakPolarHBondContact O-CA 3.4Å; L439-Q442 WeakPolarHBondContact O-CB 3.34Å; L439-Q442 PolarHBondContact O-N 3.23Å; L439-M443 WeakPolarHBondContact O-CG 3.33Å; L439-M443 PolarHBondContact O-N 3.09Å; L439-C454 HydrophobicContact CD2-CB 4.16Å; L439-M457 HydrophobicContact CD1-CB 4.22Å; L439-M457 HydrophobicContact CD1-CG 3.87Å; L439-M457 HydrophobicContact CD2-CB 4.38Å; L439-M457 HydrophobicContact CD2-CG 4.32Å; L439-L458 HydrophobicContact CD1-CD2 3.72Å; L439-L458 HydrophobicContact CD1-CG 4.03Å
440H89.2Confident90.6Very high45 Ų4551.5 Ų51.521%0.20826%0.259CS..Hα-helixtrans-55.9-42.8-175.117465.1000113V436 Q442 V475V436-H440 WeakPolarHBondContact O-CB 3.46Å; V436-H440 PolarHBondContact O-N 3.44Å; H440-Q442 VanDerWaalsContact C-N 3.34Å; H440-V475 HydrophobicContact CB-CG1 3.64Å; H440-V475 PolarHBondContact CE1-O 2.83Å; H440-V475 VanDerWaalsContact ND1-CG1 3.26Å; H440-V475 WeakPolarHBondContact ND1-CG1 3.23Å; H440-V475 PolarHBondContact ND1-O 3.18Å
441K88Confident90.6Very high115 Ų11547.7 Ų47.750%0.523%0.232SC..Hα-helixtrans-63.4-42.5176.4-65.8-171.3178.6-171.20110.8D317 L439 M443 K444D317-K441 IonicContact OD1-NZ 3.92Å; D317-K441 PolarHBondContact OD1-NZ 3.33Å; L439-K441 VanDerWaalsContact C-N 3.29Å; L439-K441 PolarHBondContact O-N 3.09Å; K441-M443 PolarHBondContact O-N 2.9Å; K441-K444 PolarHBondContact O-N 3.24Å
442Q91.1Very high90.5Very high9 Ų948.8 Ų48.84%0.04224%0.237CC..Hα-helixtrans-70.6-29.6-176.8-60.6-60.2-5800113.5F383 A438 L439 H440 K444 E445 T450 C454F383-Q442 WeakPolarHBondContact O-CG 3.46Å; F383-Q442 PolarHBondContact O-OE1 2.97Å; F383-Q442 VanDerWaalsContact O-OE1 3.12Å; A438-Q442 WeakPolarHBondContact O-CG 3.41Å; L439-Q442 WeakPolarHBondContact O-CA 3.4Å; L439-Q442 WeakPolarHBondContact O-CB 3.34Å; L439-Q442 PolarHBondContact O-N 3.23Å; H440-Q442 VanDerWaalsContact C-N 3.34Å; Q442-K444 PolarHBondContact O-N 3.33Å; Q442-E445 VanDerWaalsContact CD-OE1 3.24Å; Q442-E445 PolarHBondContact NE2-OE1 3.23Å; Q442-E445 PolarHBondContact O-N 2.91Å; Q442-E445 VanDerWaalsContact OE1-CD 3.23Å; Q442-E445 PolarHBondContact OE1-OE1 2.96Å; Q442-E445 PolarHBondContact OE1-OE2 3.32Å; Q442-T450 HydrophobicContact CB-CG2 4.06Å; Q442-C454 VanDerWaalsContact CB-SG 3.58Å
443M90Very high90.4Very high0 Ų049 Ų490%024%0.239CC..THydrogen-bonded Turntrans-65.7-16.3178.8-71.9176.679.800114.4L439 K441 R451 C454 F455 L458 L476 I480L439-M443 WeakPolarHBondContact O-CG 3.33Å; L439-M443 PolarHBondContact O-N 3.09Å; K441-M443 PolarHBondContact O-N 2.9Å; M443-R451 WeakPolarHBondContact O-CD 3.33Å; M443-C454 HydrophobicContact CG-CB 3.71Å; M443-F455 HydrophobicContact CE-CD1 4.09Å; M443-F455 HydrophobicContact CE-CE1 3.39Å; M443-F455 HydrophobicContact CE-CZ 4.01Å; M443-L458 HydrophobicContact CE-CD1 3.84Å; M443-L458 HydrophobicContact SD-CD1 3.86Å; M443-L476 HydrophobicContact SD-CD2 3.74Å; M443-I480 HydrophobicContact CE-CG1 4.01Å
444K86.6Confident90.4Very high93 Ų9346.1 Ų46.140%0.40422%0.22SC..THydrogen-bonded Turntrans-109.17.1179.8-63.4178-179.31730113.1K441 Q442K441-K444 PolarHBondContact O-N 3.24Å; Q442-K444 PolarHBondContact O-N 3.33Å
445E84.5Confident90.5Very high59 Ų5941.7 Ų41.728%0.27620%0.196SC..SBendtrans-70.4158.1176-76.8-169.3179.900112.5K391 Q442 S447 R451K391-E445 VanDerWaalsContact NZ-CD 3.3Å; K391-E445 IonicContact NZ-OE1 3.88Å; K391-E445 PolarHBondContact NZ-OE1 3.1Å; K391-E445 VanDerWaalsContact NZ-OE1 3.12Å; K391-E445 IonicContact NZ-OE2 3.67Å; K391-E445 PolarHBondContact NZ-OE2 3.04Å; Q442-E445 VanDerWaalsContact CD-OE1 3.24Å; Q442-E445 PolarHBondContact NE2-OE1 3.23Å; Q442-E445 PolarHBondContact O-N 2.91Å; Q442-E445 VanDerWaalsContact OE1-CD 3.23Å; Q442-E445 PolarHBondContact OE1-OE1 2.96Å; Q442-E445 PolarHBondContact OE1-OE2 3.32Å; E445-S447 VanDerWaalsContact C-N 3.33Å; E445-S447 PolarHBondContact O-N 3.08Å; E445-R451 WeakPolarHBondContact O-CD 3.32Å; E445-R451 PolarHBondContact O-NE 3Å; E445-R451 VanDerWaalsContact O-NE 3.09Å
446K85.1Confident90.4Very high181 Ų18145 Ų4579%0.78721%0.214SC*.SBendtrans-61.6-38.7176.5-64.9-178.8-177.1173.50112V448 R451K446-V448 PolarHBondContact O-N 3.16Å; K446-R451 PolarHBondContact O-NH2 3.4Å
447S87.2Confident90.4Very high27 Ų2744.8 Ų44.819%0.18921%0.213CC..  trans-61.4123.3-176.6166.20000112.2E388 E445 K449 T450 R451E388-S447 PolarHBondContact OE1-OG 3.01Å; E445-S447 VanDerWaalsContact C-N 3.33Å; E445-S447 PolarHBondContact O-N 3.08Å; S447-K449 PolarHBondContact OG-N 3.21Å; S447-T450 WeakPolarHBondContact CB-OG1 3.39Å; S447-T450 PolarHBondContact OG-N 2.9Å; S447-T450 VanDerWaalsContact OG-N 3.13Å; S447-T450 PolarHBondContact OG-OG1 2.78Å; S447-R451 WeakPolarHBondContact O-CG 3.33Å; S447-R451 PolarHBondContact O-N 3.18Å; S447-R451 PolarHBondContact O-NE 3.11Å
448V89Confident90.5Very high41 Ų4138.2 Ų38.225%0.24818%0.184CC..Hα-helixtrans-66.4-42.5174.6172.10000110.7K446 T450 R451 Q452 S490 L493K446-V448 PolarHBondContact O-N 3.16Å; V448-T450 PolarHBondContact O-N 3.22Å; V448-R451 PolarHBondContact O-N 3.47Å; V448-Q452 HydrophobicContact CG1-CG 4.44Å; V448-Q452 WeakPolarHBondContact O-CG 3.28Å; V448-Q452 PolarHBondContact O-N 3.29Å; V448-S490 WeakPolarHBondContact CG1-OG 3.5Å; V448-L493 HydrophobicContact CG1-CB 4.01Å; V448-L493 HydrophobicContact CG1-CD2 4.07Å; V448-L493 HydrophobicContact CG2-CD2 4.35Å
449K88.8Confident90.6Very high82 Ų8238.1 Ų38.136%0.35718%0.181SC..Hα-helixtrans-63.4-42.6-177.5-168.4-177.8179.1-171.50111.4E388 A392 S447 R451 Q452 C453E388-K449 HydrophobicContact CG-CD 4.32Å; E388-K449 WeakPolarHBondContact OE1-CB 3.48Å; A392-K449 HydrophobicContact CB-CD 4.47Å; S447-K449 PolarHBondContact OG-N 3.21Å; K449-R451 PolarHBondContact O-N 2.96Å; K449-Q452 PolarHBondContact O-N 2.83Å; K449-C453 PolarHBondContact O-N 3.25Å; K449-C453 PolarHBondContact O-SG 3.35Å; K449-C453 VanDerWaalsContact O-SG 3.37Å
450T90.5Very high90.6Very high5 Ų539.3 Ų39.33%0.03119%0.187CC..Hα-helixtrans-59.7-46.4175.3-60.60000111.5K391 F395 Q442 S447 V448 Q452 C453 C454K391-T450 HydrophobicContact CD-CG2 3.66Å; F395-T450 HydrophobicContact CE2-CG2 4.26Å; Q442-T450 HydrophobicContact CB-CG2 4.06Å; S447-T450 WeakPolarHBondContact CB-OG1 3.39Å; S447-T450 PolarHBondContact OG-N 2.9Å; S447-T450 VanDerWaalsContact OG-N 3.13Å; S447-T450 PolarHBondContact OG-OG1 2.78Å; V448-T450 PolarHBondContact O-N 3.22Å; T450-Q452 PolarHBondContact O-N 3.47Å; T450-C453 WeakPolarHBondContact O-CB 3.14Å; T450-C453 PolarHBondContact O-N 3.15Å; T450-C454 PolarHBondContact O-N 2.59Å; T450-C454 PolarHBondContact O-SG 2.92Å
451R91.6Very high90.8Very high2 Ų237.1 Ų37.11%0.00818%0.177CC..Hα-helixtrans-63.4-41.2178.7-69.4-174.8-80.9168.4-9.2112.2M443 E445 K446 S447 V448 K449 C453 C454 F455 D486 S489 L493M443-R451 WeakPolarHBondContact O-CD 3.33Å; E445-R451 WeakPolarHBondContact O-CD 3.32Å; E445-R451 PolarHBondContact O-NE 3Å; E445-R451 VanDerWaalsContact O-NE 3.09Å; K446-R451 PolarHBondContact O-NH2 3.4Å; S447-R451 WeakPolarHBondContact O-CG 3.33Å; S447-R451 PolarHBondContact O-N 3.18Å; S447-R451 PolarHBondContact O-NE 3.11Å; V448-R451 PolarHBondContact O-N 3.47Å; K449-R451 PolarHBondContact O-N 2.96Å; R451-C453 PolarHBondContact O-N 2.8Å; R451-C454 WeakPolarHBondContact O-CB 3.48Å; R451-C454 PolarHBondContact O-N 3.5Å; R451-C454 VanDerWaalsContact O-N 3.17Å; R451-F455 HydrophobicContact CB-CE2 4.44Å; R451-F455 WeakPolarHBondContact O-CD2 3.31Å; R451-F455 PolarHBondContact O-N 3.48Å; R451-F455 VanDerWaalsContact O-N 3.09Å; R451-D486 IonicContact CZ-OD2 3.55Å; R451-D486 IonicContact NH1-OD2 2.68Å; R451-D486 PolarHBondContact NH1-OD2 3.28Å; R451-D486 IonicContact NH2-OD2 3.72Å; R451-D486 PolarHBondContact NH2-OD2 3.18Å; R451-S489 PolarHBondContact NH1-OG 3.46Å; R451-L493 HydrophobicContact CB-CD1 3.65Å; R451-L493 HydrophobicContact CB-CD2 4.35Å
452Q91.8Very high91Very high42 Ų4231.7 Ų31.720%0.19615%0.153CC..Hα-helixtrans-60.6-44.5173.6-68.5-174.3-75.900112V448 K449 T450 C454 F455 N456 L493 D496V448-Q452 HydrophobicContact CG1-CG 4.44Å; V448-Q452 WeakPolarHBondContact O-CG 3.28Å; V448-Q452 PolarHBondContact O-N 3.29Å; K449-Q452 PolarHBondContact O-N 2.83Å; T450-Q452 PolarHBondContact O-N 3.47Å; Q452-C454 VanDerWaalsContact C-N 3.26Å; Q452-C454 PolarHBondContact O-N 3.36Å; Q452-F455 PolarHBondContact O-N 3.42Å; Q452-N456 PolarHBondContact O-N 2.97Å; Q452-N456 PolarHBondContact O-ND2 3.47Å; Q452-L493 HydrophobicContact CG-CB 4.14Å; Q452-L493 HydrophobicContact CG-CD1 3.69Å; Q452-D496 WeakPolarHBondContact CG-OD2 3.31Å; Q452-D496 PolarHBondContact NE2-OD2 3.3Å
453C92.1Very high90.9Very high9 Ų933.5 Ų33.56%0.06116%0.163CC..Hα-helixtrans-58-39.3174.4-71.10000112.1F395 K449 T450 R451 N456 M457F395-C453 HydrophobicContact CB-CB 3.88Å; F395-C453 HydrophobicContact CD1-CB 4.16Å; F395-C453 HydrophobicContact CD2-CB 3.59Å; F395-C453 HydrophobicContact CE2-CB 4.12Å; F395-C453 HydrophobicContact CG-CB 3.61Å; K449-C453 PolarHBondContact O-N 3.25Å; K449-C453 PolarHBondContact O-SG 3.35Å; K449-C453 VanDerWaalsContact O-SG 3.37Å; T450-C453 WeakPolarHBondContact O-CB 3.14Å; T450-C453 PolarHBondContact O-N 3.15Å; R451-C453 PolarHBondContact O-N 2.8Å; C453-N456 PolarHBondContact O-N 2.98Å; C453-M457 WeakPolarHBondContact O-CB 3.24Å; C453-M457 PolarHBondContact O-N 2.85Å
454C94.2Very high90.9Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-62.7-46.2176.1-63.20000112.2L439 Q442 M443 T450 R451 Q452 M457 L458L439-C454 HydrophobicContact CD2-CB 4.16Å; Q442-C454 VanDerWaalsContact CB-SG 3.58Å; M443-C454 HydrophobicContact CG-CB 3.71Å; T450-C454 PolarHBondContact O-N 2.59Å; T450-C454 PolarHBondContact O-SG 2.92Å; R451-C454 WeakPolarHBondContact O-CB 3.48Å; R451-C454 PolarHBondContact O-N 3.5Å; R451-C454 VanDerWaalsContact O-N 3.17Å; Q452-C454 VanDerWaalsContact C-N 3.26Å; Q452-C454 PolarHBondContact O-N 3.36Å; C454-M457 WeakPolarHBondContact O-CB 3.26Å; C454-M457 PolarHBondContact O-N 3.38Å; C454-L458 WeakPolarHBondContact O-CG 3.43Å; C454-L458 PolarHBondContact O-N 2.99Å
455F94.6Very high90.9Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-65.8-39.5178.6-67.4-55000112.6M443 R451 Q452 M457 L458 T459 I480 S483 L493 D496 A497 C500M443-F455 HydrophobicContact CE-CD1 4.09Å; M443-F455 HydrophobicContact CE-CE1 3.39Å; M443-F455 HydrophobicContact CE-CZ 4.01Å; R451-F455 HydrophobicContact CB-CE2 4.44Å; R451-F455 WeakPolarHBondContact O-CD2 3.31Å; R451-F455 PolarHBondContact O-N 3.48Å; R451-F455 VanDerWaalsContact O-N 3.09Å; Q452-F455 PolarHBondContact O-N 3.42Å; F455-M457 VanDerWaalsContact C-N 3.32Å; F455-M457 PolarHBondContact O-N 3.44Å; F455-L458 PolarHBondContact O-N 2.98Å; F455-T459 VanDerWaalsContact O-CB 3.32Å; F455-T459 WeakPolarHBondContact O-CB 3.43Å; F455-T459 PolarHBondContact O-N 3.42Å; F455-T459 PolarHBondContact O-OG1 2.97Å; F455-I480 HydrophobicContact CE1-CG1 3.95Å; F455-S483 WeakPolarHBondContact CE2-OG 3.33Å; F455-S483 WeakPolarHBondContact CZ-OG 3.48Å; F455-L493 HydrophobicContact CD2-CD1 3.84Å; F455-L493 HydrophobicContact CE2-CD1 3.67Å; F455-D496 HydrophobicContact CB-CB 4.25Å; F455-A497 HydrophobicContact CD1-CB 4.41Å; F455-A497 HydrophobicContact CD2-CB 4.04Å; F455-A497 HydrophobicContact CE1-CB 4.08Å; F455-A497 HydrophobicContact CE2-CB 3.68Å; F455-A497 HydrophobicContact CG-CB 4.4Å; F455-A497 HydrophobicContact CZ-CB 3.71Å; F455-C500 HydrophobicContact CB-CB 4.04Å; F455-C500 HydrophobicContact CD1-CB 3.98Å; F455-C500 HydrophobicContact CG-CB 4.37Å
456N93.4Very high91Very high69 Ų6930.2 Ų30.237%0.36916%0.155SC..Hα-helixtrans-62.8-40.9173.8-70-21.6000111.3L399 Q452 C453 T459 E460L399-N456 HydrophobicContact CD1-CB 4.29Å; Q452-N456 PolarHBondContact O-N 2.97Å; Q452-N456 PolarHBondContact O-ND2 3.47Å; C453-N456 PolarHBondContact O-N 2.98Å; N456-T459 PolarHBondContact O-N 3.38Å; N456-E460 WeakPolarHBondContact O-CB 3.4Å; N456-E460 PolarHBondContact O-N 3.21Å
457M93.2Very high91.2Very high0 Ų022.7 Ų22.70%013%0.129CC..Hα-helixtrans-61.6-49176.3-169.661.37100112.2F383 F395 Y398 L399 L402 L439 C453 C454 F455 T459 E460 L461F383-M457 HydrophobicContact CZ-CE 4.12Å; F395-M457 HydrophobicContact CD1-CE 3.82Å; F395-M457 WeakPolarHBondContact O-CE 3.41Å; Y398-M457 HydrophobicContact CD1-CE 3.68Å; Y398-M457 HydrophobicContact CD1-SD 3.36Å; Y398-M457 WeakPolarHBondContact CD1-SD 3.45Å; Y398-M457 HydrophobicContact CE1-SD 4Å; Y398-M457 HydrophobicContact CG-CE 3.97Å; Y398-M457 HydrophobicContact CG-SD 4.24Å; L399-M457 HydrophobicContact CD2-CE 4.15Å; L399-M457 HydrophobicContact CD2-SD 4Å; L399-M457 HydrophobicContact CG-CE 3.73Å; L399-M457 HydrophobicContact CG-SD 4.23Å; L402-M457 HydrophobicContact CD1-SD 3.45Å; L402-M457 WeakPolarHBondContact CD1-SD 3.21Å; L402-M457 HydrophobicContact CG-SD 4.43Å; L439-M457 HydrophobicContact CD1-CB 4.22Å; L439-M457 HydrophobicContact CD1-CG 3.87Å; L439-M457 HydrophobicContact CD2-CB 4.38Å; L439-M457 HydrophobicContact CD2-CG 4.32Å; C453-M457 WeakPolarHBondContact O-CB 3.24Å; C453-M457 PolarHBondContact O-N 2.85Å; C454-M457 WeakPolarHBondContact O-CB 3.26Å; C454-M457 PolarHBondContact O-N 3.38Å; F455-M457 VanDerWaalsContact C-N 3.32Å; F455-M457 PolarHBondContact O-N 3.44Å; M457-T459 VanDerWaalsContact C-N 3.33Å; M457-T459 PolarHBondContact O-N 3.42Å; M457-E460 PolarHBondContact O-N 3.42Å; M457-L461 VanDerWaalsContact O-CB 3.24Å; M457-L461 WeakPolarHBondContact O-CB 3.43Å; M457-L461 PolarHBondContact O-N 2.91Å
458L94.8Very high91.3Very high0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-63.7-40.5178.5-69.6172.7000111.5L439 M443 C454 F455 L461 V462 L469 L476L439-L458 HydrophobicContact CD1-CD2 3.72Å; L439-L458 HydrophobicContact CD1-CG 4.03Å; M443-L458 HydrophobicContact CE-CD1 3.84Å; M443-L458 HydrophobicContact SD-CD1 3.86Å; C454-L458 WeakPolarHBondContact O-CG 3.43Å; C454-L458 PolarHBondContact O-N 2.99Å; F455-L458 PolarHBondContact O-N 2.98Å; L458-L461 PolarHBondContact O-N 3.25Å; L458-V462 VanDerWaalsContact O-CG2 3.32Å; L458-V462 WeakPolarHBondContact O-CG2 3.3Å; L458-V462 PolarHBondContact O-N 2.97Å; L458-L469 HydrophobicContact CD2-CD1 3.96Å; L458-L469 HydrophobicContact CD2-CD2 4.46Å; L458-L476 HydrophobicContact CD1-CD1 4.48Å; L458-L476 HydrophobicContact CD1-CD2 4.08Å; L458-L476 HydrophobicContact CD2-CD1 4.02Å; L458-L476 HydrophobicContact CD2-CD2 4.14Å
459T94.4Very high91.4Very high21 Ų2120.7 Ų20.713%0.12912%0.119CC..Hα-helixtrans-63.1-49.6178-57.80000111.1F455 N456 M457 L461 V462 N463 C500 V503F455-T459 VanDerWaalsContact O-CB 3.32Å; F455-T459 WeakPolarHBondContact O-CB 3.43Å; F455-T459 PolarHBondContact O-N 3.42Å; F455-T459 PolarHBondContact O-OG1 2.97Å; N456-T459 PolarHBondContact O-N 3.38Å; M457-T459 VanDerWaalsContact C-N 3.33Å; M457-T459 PolarHBondContact O-N 3.42Å; T459-L461 VanDerWaalsContact C-N 3.34Å; T459-L461 PolarHBondContact O-N 3.32Å; T459-V462 PolarHBondContact O-N 3.46Å; T459-N463 WeakPolarHBondContact O-CB 3.5Å; T459-N463 VanDerWaalsContact O-CG 3.25Å; T459-N463 PolarHBondContact O-N 2.96Å; T459-N463 PolarHBondContact O-ND2 3.27Å; T459-C500 WeakPolarHBondContact OG1-CA 3.21Å; T459-C500 WeakPolarHBondContact OG1-CB 3.32Å; T459-V503 HydrophobicContact CG2-CB 4.36Å; T459-V503 HydrophobicContact CG2-CG1 4.28Å; T459-V503 HydrophobicContact CG2-CG2 4.08Å
460E93.1Very high91.5Very high25 Ų2519.6 Ų19.612%0.11712%0.119CC..Hα-helixtrans-65.2-38.5178.1-163.166.2-147.400111.3L399 L402 K403 N456 M457 V462 N463 V464L399-E460 HydrophobicContact CD2-CB 3.92Å; L399-E460 HydrophobicContact CD2-CG 4.44Å; L402-E460 HydrophobicContact CB-CB 4.47Å; L402-E460 HydrophobicContact CB-CG 3.75Å; L402-E460 HydrophobicContact CD1-CB 4.08Å; L402-E460 HydrophobicContact CD1-CG 4.27Å; K403-E460 HydrophobicContact CG-CG 4.23Å; N456-E460 WeakPolarHBondContact O-CB 3.4Å; N456-E460 PolarHBondContact O-N 3.21Å; M457-E460 PolarHBondContact O-N 3.42Å; E460-V462 PolarHBondContact O-N 3.28Å; E460-N463 PolarHBondContact O-N 2.84Å; E460-V464 VanDerWaalsContact O-CG2 3.3Å; E460-V464 WeakPolarHBondContact O-CG2 3.33Å; E460-V464 PolarHBondContact O-N 3.39Å
461L93.8Very high91.6Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-61.1-45.2176.8178.660.7000112.2L402 L428 V432 I435 M457 L458 T459 N463 V464 L465 L469L402-L461 HydrophobicContact CD1-CB 4.15Å; L402-L461 HydrophobicContact CD2-CD1 4.22Å; L428-L461 HydrophobicContact CD1-CD1 3.97Å; L428-L461 HydrophobicContact CD2-CD1 4.05Å; L428-L461 HydrophobicContact CG-CD1 4.16Å; V432-L461 HydrophobicContact CG2-CD1 4.38Å; I435-L461 HydrophobicContact CG2-CD2 4.3Å; M457-L461 VanDerWaalsContact O-CB 3.24Å; M457-L461 WeakPolarHBondContact O-CB 3.43Å; M457-L461 PolarHBondContact O-N 2.91Å; L458-L461 PolarHBondContact O-N 3.25Å; T459-L461 VanDerWaalsContact C-N 3.34Å; T459-L461 PolarHBondContact O-N 3.32Å; L461-N463 VanDerWaalsContact C-N 3.34Å; L461-V464 PolarHBondContact O-N 3.03Å; L461-L465 PolarHBondContact O-N 2.98Å; L461-L469 HydrophobicContact CD2-CD2 3.95Å
462V92.2Very high91.7Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-68.6-36.3177.2173.90000111.3L458 T459 E460 V464 L465 P466 L469 V503 I504 N507L458-V462 VanDerWaalsContact O-CG2 3.32Å; L458-V462 WeakPolarHBondContact O-CG2 3.3Å; L458-V462 PolarHBondContact O-N 2.97Å; T459-V462 PolarHBondContact O-N 3.46Å; E460-V462 PolarHBondContact O-N 3.28Å; V462-V464 PolarHBondContact O-N 3.47Å; V462-L465 CarbonylContact O-C 3.18Å; V462-L465 VanDerWaalsContact O-C 3.27Å; V462-P466 WeakPolarHBondContact O-CA 3.42Å; V462-P466 VanDerWaalsContact O-N 3.15Å; V462-L469 HydrophobicContact CG2-CD1 3.42Å; V462-L469 VanDerWaalsContact CG2-CD1 3.42Å; V462-L469 HydrophobicContact CG2-CG 3.95Å; V462-V503 HydrophobicContact CB-CG1 4.13Å; V462-V503 HydrophobicContact CG1-CG1 3.82Å; V462-I504 HydrophobicContact CG2-CG1 4.1Å; V462-N507 HydrophobicContact CG1-CB 3.46Å; V462-N507 VanDerWaalsContact CG1-CB 3.46Å
463N89Confident91.7Very high48 Ų4827.1 Ų27.126%0.25715%0.154SC..Hα-helixtrans-65.7-26.6174.3-74.9-23.2000112.6Q409 T459 E460 L461Q409-N463 VanDerWaalsContact CD-O 3.26Å; Q409-N463 PolarHBondContact NE2-O 3.17Å; Q409-N463 PolarHBondContact OE1-O 3.16Å; T459-N463 WeakPolarHBondContact O-CB 3.5Å; T459-N463 VanDerWaalsContact O-CG 3.25Å; T459-N463 PolarHBondContact O-N 2.96Å; T459-N463 PolarHBondContact O-ND2 3.27Å; E460-N463 PolarHBondContact O-N 2.84Å; L461-N463 VanDerWaalsContact C-N 3.34Å
464V88.3Confident91.8Very high0 Ų029.9 Ų29.90%017%0.172CC..Hα-helixtrans-87.9-39.6175.4176.10000111.9L402 T405 R406 Q409 L425 L428 E460 L461 V462L402-V464 HydrophobicContact CB-CG2 4.44Å; L402-V464 WeakPolarHBondContact O-CG2 3.44Å; T405-V464 HydrophobicContact CG2-CG1 4.01Å; R406-V464 HydrophobicContact CB-CG2 4.07Å; R406-V464 HydrophobicContact CG-CG2 4.49Å; Q409-V464 PolarHBondContact NE2-O 3.31Å; L425-V464 HydrophobicContact CD2-CG1 3.85Å; L428-V464 HydrophobicContact CD2-CG1 3.83Å; E460-V464 VanDerWaalsContact O-CG2 3.3Å; E460-V464 WeakPolarHBondContact O-CG2 3.33Å; E460-V464 PolarHBondContact O-N 3.39Å; L461-V464 PolarHBondContact O-N 3.03Å; V462-V464 PolarHBondContact O-N 3.47Å
465L87.5Confident91.7Very high14 Ų1432.8 Ų32.87%0.07319%0.189CC..SBendtrans-128.185.6178.2-67173.9000111.1L425 L428 Q429 V432 L461 V462 G467 A468L425-L465 HydrophobicContact CB-CD2 4.46Å; L425-L465 HydrophobicContact CD2-CD2 3.84Å; L425-L465 HydrophobicContact CD2-CG 4.47Å; L428-L465 HydrophobicContact CB-CD1 4.25Å; L428-L465 HydrophobicContact CD2-CD1 3.7Å; L428-L465 HydrophobicContact CD2-CG 4.12Å; L428-L465 HydrophobicContact CG-CD1 3.7Å; Q429-L465 HydrophobicContact CB-CD1 4.14Å; V432-L465 HydrophobicContact CG2-CD1 4.41Å; L461-L465 PolarHBondContact O-N 2.98Å; V462-L465 CarbonylContact O-C 3.18Å; V462-L465 VanDerWaalsContact O-C 3.27Å; L465-G467 PolarHBondContact O-N 3.03Å; L465-A468 HydrophobicContact CB-CB 3.65Å; L465-A468 HydrophobicContact CD1-CB 4.43Å; L465-A468 WeakPolarHBondContact O-CB 3.35Å; L465-A468 PolarHBondContact O-N 3.27Å; L465-A468 VanDerWaalsContact O-N 3.16Å
466P87.2Confident91.7Very high68 Ų6832.8 Ų32.844%0.44219%0.189SC..THydrogen-bonded Turntrans-55.6133.2174.4-25.634.9000111.2V462 A468 N507V462-P466 WeakPolarHBondContact O-CA 3.42Å; V462-P466 VanDerWaalsContact O-N 3.15Å; P466-A468 VanDerWaalsContact C-N 3.32Å; P466-A468 PolarHBondContact O-N 2.9Å; P466-N507 HydrophobicContact CB-CB 4.26Å
467G87.6Confident91.6Very high23 Ų2329.8 Ų29.824%0.23717%0.174CC..THydrogen-bonded Turntrans82.5-6-179.400000116.1L465 L469 T470 N507 H508L465-G467 PolarHBondContact O-N 3.03Å; G467-L469 VanDerWaalsContact C-N 3.25Å; G467-L469 PolarHBondContact O-N 3.39Å; G467-T470 WeakPolarHBondContact O-CB 3.49Å; G467-T470 PolarHBondContact O-N 3.36Å; G467-T470 PolarHBondContact O-OG1 3.13Å; G467-N507 VanDerWaalsContact CA-O 3.3Å; G467-N507 WeakPolarHBondContact CA-O 3.4Å; G467-N507 PolarHBondContact N-O 3.22Å; G467-H508 VanDerWaalsContact C-NE2 3.28Å; G467-H508 VanDerWaalsContact CA-CD2 3.48Å; G467-H508 WeakPolarHBondContact CA-CD2 3.37Å; G467-H508 WeakPolarHBondContact CA-NE2 3.47Å
468A89.8Confident91.6Very high26 Ų2632.3 Ų32.322%0.21519%0.19CC..THydrogen-bonded Turntrans-63.3-24.9-173.300000115V432 L465 P466 T470V432-A468 HydrophobicContact CG2-CB 4.3Å; L465-A468 HydrophobicContact CB-CB 3.65Å; L465-A468 HydrophobicContact CD1-CB 4.43Å; L465-A468 WeakPolarHBondContact O-CB 3.35Å; L465-A468 PolarHBondContact O-N 3.27Å; L465-A468 VanDerWaalsContact O-N 3.16Å; P466-A468 VanDerWaalsContact C-N 3.32Å; P466-A468 PolarHBondContact O-N 2.9Å; A468-T470 VanDerWaalsContact C-N 3.32Å
469L91.9Very high91.5Very high0 Ų032.3 Ų32.30%019%0.19CC..THydrogen-bonded Turntrans-89.56-177.8-58.3179000113.2V432 V436 L458 L461 V462 G467 Q471 H472 I473 L476 I504 H508V432-L469 HydrophobicContact CG1-CD2 4.09Å; V436-L469 HydrophobicContact CG2-CD2 3.72Å; L458-L469 HydrophobicContact CD2-CD1 3.96Å; L458-L469 HydrophobicContact CD2-CD2 4.46Å; L461-L469 HydrophobicContact CD2-CD2 3.95Å; V462-L469 HydrophobicContact CG2-CD1 3.42Å; V462-L469 VanDerWaalsContact CG2-CD1 3.42Å; V462-L469 HydrophobicContact CG2-CG 3.95Å; G467-L469 VanDerWaalsContact C-N 3.25Å; G467-L469 PolarHBondContact O-N 3.39Å; L469-Q471 VanDerWaalsContact C-N 3.32Å; L469-Q471 PolarHBondContact O-N 3.41Å; L469-H472 CarbonylContact O-C 3.43Å; L469-H472 WeakPolarHBondContact O-CA 3.48Å; L469-H472 WeakPolarHBondContact O-CB 3.42Å; L469-H472 PolarHBondContact O-N 3.27Å; L469-I473 HydrophobicContact CB-CD1 3.97Å; L469-I473 WeakPolarHBondContact O-CG1 3.03Å; L469-I473 PolarHBondContact O-N 3.24Å; L469-L476 HydrophobicContact CB-CD1 4.35Å; L469-L476 HydrophobicContact CD1-CD1 3.84Å; L469-L476 HydrophobicContact CD2-CD1 4.24Å; L469-L476 HydrophobicContact CG-CD1 4.39Å; L469-I504 HydrophobicContact CD1-CD1 4.35Å; L469-I504 HydrophobicContact CD1-CG1 4.34Å; L469-H508 WeakPolarHBondContact CB-NE2 3.43Å; L469-H508 PolarHBondContact N-NE2 3.41Å
470T91.3Very high91.4Very high60 Ų6031.5 Ų31.537%0.36819%0.185SC..THydrogen-bonded Turntrans-47.8-48.5-175.8-66.40000113.4G467 A468 H472 H508 V512G467-T470 WeakPolarHBondContact O-CB 3.49Å; G467-T470 PolarHBondContact O-N 3.36Å; G467-T470 PolarHBondContact O-OG1 3.13Å; A468-T470 VanDerWaalsContact C-N 3.32Å; T470-H472 PolarHBondContact O-N 3.23Å; T470-H508 PolarHBondContact OG1-CD2 3.26Å; T470-V512 HydrophobicContact CG2-CG1 4.41Å; T470-V512 HydrophobicContact CG2-CG2 3.74Å; T470-V512 WeakPolarHBondContact O-CG1 3.37Å
471Q91.9Very high91.4Very high171 Ų17131.8 Ų31.880%0.79919%0.187SC*.THydrogen-bonded Turntrans-78.9-8.3-178.9-62.9-178.4-2.700113.6L469L469-Q471 VanDerWaalsContact C-N 3.32Å; L469-Q471 PolarHBondContact O-N 3.41Å
472H93.2Very high91.4Very high32 Ų3235.8 Ų35.815%0.14820%0.204CC..THydrogen-bonded Turntrans-112.7-10.9-169.4-66.3-57.9000113.7V436 L469 T470 P474 V475 L476V436-H472 HydrophobicContact CB-CB 4.33Å; V436-H472 HydrophobicContact CG1-CB 3.76Å; V436-H472 HydrophobicContact CG2-CB 3.89Å; L469-H472 CarbonylContact O-C 3.43Å; L469-H472 WeakPolarHBondContact O-CA 3.48Å; L469-H472 WeakPolarHBondContact O-CB 3.42Å; L469-H472 PolarHBondContact O-N 3.27Å; T470-H472 PolarHBondContact O-N 3.23Å; H472-P474 VanDerWaalsContact C-N 3.32Å; H472-V475 PolarHBondContact O-N 3.09Å; H472-V475 VanDerWaalsContact O-N 3.09Å; H472-L476 PolarHBondContact O-N 3.06Å
473I93.3Very high91.4Very high3 Ų335.8 Ų35.82%0.01520%0.204CC..Hα-helixtrans-48.3-44.9176.6-61.8-50.4000113.1L469 V475 L476 V477 I504 V512 F513L469-I473 HydrophobicContact CB-CD1 3.97Å; L469-I473 WeakPolarHBondContact O-CG1 3.03Å; L469-I473 PolarHBondContact O-N 3.24Å; I473-V475 PolarHBondContact O-N 2.97Å; I473-V475 VanDerWaalsContact O-N 3.12Å; I473-L476 PolarHBondContact O-N 2.73Å; I473-L476 VanDerWaalsContact O-N 3.09Å; I473-V477 HydrophobicContact CG2-CG2 3.75Å; I473-V477 WeakPolarHBondContact O-CG2 3.23Å; I473-V477 PolarHBondContact O-N 3.16Å; I473-I504 HydrophobicContact CD1-CG2 3.68Å; I473-V512 HydrophobicContact CB-CG1 3.91Å; I473-V512 HydrophobicContact CG1-CG1 3.59Å; I473-V512 HydrophobicContact CG2-CG1 4.37Å; I473-F513 HydrophobicContact CD1-CE1 3.98Å; I473-F513 HydrophobicContact CD1-CZ 4.29Å; I473-F513 HydrophobicContact CG1-CE1 4.07Å; I473-F513 HydrophobicContact CG1-CZ 4.42Å; I473-F513 HydrophobicContact CG2-CD1 3.86Å; I473-F513 HydrophobicContact CG2-CE1 3.82Å
474P92.6Very high91.5Very high67 Ų6733.7 Ų33.744%0.43519%0.193SC..Hα-helixtrans-58.3-31.6-178.2-2534.1000114.3H472 P478 H516H472-P474 VanDerWaalsContact C-N 3.32Å; P474-P478 VanDerWaalsContact O-CD 3.25Å; P474-P478 WeakPolarHBondContact O-CD 3.22Å; P474-H516 WeakPolarHBondContact CA-NE2 3.4Å
475V92.6Very high91.6Very high61 Ų6138.1 Ų38.137%0.3722%0.217SC..Hα-helixtrans-83.1-33.3-179.1178.10000110.7H440 H472 I473H440-V475 HydrophobicContact CB-CG1 3.64Å; H440-V475 PolarHBondContact CE1-O 2.83Å; H440-V475 VanDerWaalsContact ND1-CG1 3.26Å; H440-V475 WeakPolarHBondContact ND1-CG1 3.23Å; H440-V475 PolarHBondContact ND1-O 3.18Å; H472-V475 PolarHBondContact O-N 3.09Å; H472-V475 VanDerWaalsContact O-N 3.09Å; I473-V475 PolarHBondContact O-N 2.97Å; I473-V475 VanDerWaalsContact O-N 3.12Å
476L93.8Very high91.3Very high1 Ų138.9 Ų38.91%0.00522%0.221CC..Hα-helixtrans-78.9-34.8-177.8-63.8174.6000113.2V436 M443 L458 L469 H472 I473 G479 I480V436-L476 HydrophobicContact CG1-CD2 4.16Å; V436-L476 HydrophobicContact CG1-CG 4.41Å; M443-L476 HydrophobicContact SD-CD2 3.74Å; L458-L476 HydrophobicContact CD1-CD1 4.48Å; L458-L476 HydrophobicContact CD1-CD2 4.08Å; L458-L476 HydrophobicContact CD2-CD1 4.02Å; L458-L476 HydrophobicContact CD2-CD2 4.14Å; L469-L476 HydrophobicContact CB-CD1 4.35Å; L469-L476 HydrophobicContact CD1-CD1 3.84Å; L469-L476 HydrophobicContact CD2-CD1 4.24Å; L469-L476 HydrophobicContact CG-CD1 4.39Å; H472-L476 PolarHBondContact O-N 3.06Å; I473-L476 PolarHBondContact O-N 2.73Å; I473-L476 VanDerWaalsContact O-N 3.09Å; L476-G479 PolarHBondContact O-N 3.42Å; L476-I480 PolarHBondContact O-N 3.06Å; L476-I480 VanDerWaalsContact O-N 3.16Å
477V93Very high90.8Very high6 Ų645.7 Ų45.74%0.03624%0.243CC..Hα-helixtrans-53.3-47.5-176.4164.70000113.2I473 G479 I480 I481 H516 L520I473-V477 HydrophobicContact CG2-CG2 3.75Å; I473-V477 WeakPolarHBondContact O-CG2 3.23Å; I473-V477 PolarHBondContact O-N 3.16Å; V477-G479 VanDerWaalsContact C-N 3.28Å; V477-G479 PolarHBondContact O-N 3.38Å; V477-I480 PolarHBondContact O-N 3.2Å; V477-I481 HydrophobicContact CG1-CD1 3.61Å; V477-I481 HydrophobicContact CG1-CG1 4.27Å; V477-I481 WeakPolarHBondContact O-CG1 3.34Å; V477-I481 PolarHBondContact O-N 2.91Å; V477-H516 HydrophobicContact CG1-CB 4.22Å; V477-H516 HydrophobicContact CG2-CB 4.09Å; V477-L520 HydrophobicContact CG1-CD2 3.99Å; V477-L520 HydrophobicContact CG1-CG 4.18Å; V477-L520 HydrophobicContact CG2-CD1 4.41Å
478P92.6Very high90.2Very high52 Ų5249 Ų4934%0.33826%0.263SS..Hα-helixtrans-57.5-36.2176.6-27.635.5000114.2P474 F482P474-P478 VanDerWaalsContact O-CD 3.25Å; P474-P478 WeakPolarHBondContact O-CD 3.22Å; P478-F482 WeakPolarHBondContact O-CB 3.38Å; P478-F482 PolarHBondContact O-N 3.49Å
479G92Very high89.5Confident0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-70.7-36.3177.800000112.9L476 V477 S483L476-G479 PolarHBondContact O-N 3.42Å; V477-G479 VanDerWaalsContact C-N 3.28Å; V477-G479 PolarHBondContact O-N 3.38Å; G479-S483 PolarHBondContact O-N 3.21Å; G479-S483 PolarHBondContact O-OG 3.15Å
480I93.6Very high89.2Confident4 Ų450.5 Ų50.52%0.02127%0.272CS..Hα-helixtrans-63.3-50.4172.5-62.1168.2000109.5M443 F455 L476 V477 F482 S483 L484 L501 I504M443-I480 HydrophobicContact CE-CG1 4.01Å; F455-I480 HydrophobicContact CE1-CG1 3.95Å; L476-I480 PolarHBondContact O-N 3.06Å; L476-I480 VanDerWaalsContact O-N 3.16Å; V477-I480 PolarHBondContact O-N 3.2Å; I480-F482 VanDerWaalsContact C-N 3.32Å; I480-F482 PolarHBondContact O-N 3.32Å; I480-S483 PolarHBondContact O-N 2.94Å; I480-L484 HydrophobicContact CG2-CD1 4Å; I480-L484 HydrophobicContact CG2-CG 4.43Å; I480-L484 WeakPolarHBondContact O-CG 3.3Å; I480-L484 PolarHBondContact O-N 2.88Å; I480-L484 VanDerWaalsContact O-N 3.09Å; I480-L501 HydrophobicContact CD1-CD1 4.3Å; I480-L501 HydrophobicContact CG2-CB 4.39Å; I480-L501 HydrophobicContact CG2-CD2 4.24Å; I480-I504 HydrophobicContact CD1-CD1 4.41Å
481I93.4Very high89.2Confident31 Ų3150.3 Ų50.316%0.15927%0.273CS..Hα-helixtrans-60.3-42.7-179.3-66.1171.1000111.2V477 S483 L484 N485 A519 L520 P523V477-I481 HydrophobicContact CG1-CD1 3.61Å; V477-I481 HydrophobicContact CG1-CG1 4.27Å; V477-I481 WeakPolarHBondContact O-CG1 3.34Å; V477-I481 PolarHBondContact O-N 2.91Å; I481-S483 VanDerWaalsContact C-N 3.34Å; I481-S483 PolarHBondContact O-N 3.19Å; I481-L484 PolarHBondContact O-N 3.45Å; I481-N485 WeakPolarHBondContact CG2-ND2 3.38Å; I481-N485 WeakPolarHBondContact O-CB 3.3Å; I481-N485 PolarHBondContact O-N 3.34Å; I481-A519 HydrophobicContact CD1-CB 3.65Å; I481-A519 WeakPolarHBondContact CD1-O 3.25Å; I481-L520 HydrophobicContact CD1-CD2 4.48Å; I481-L520 HydrophobicContact CG1-CD2 4.23Å; I481-P523 HydrophobicContact CG1-CG 4.27Å; I481-P523 HydrophobicContact CG2-CG 4.38Å
482F92.1Very high89.2Confident85 Ų8547 Ų4737%0.37326%0.261SS..Hα-helixtrans-55.4-48.6176.6179.4-102.5000111.7P478 I480 L484 N485 D486P478-F482 WeakPolarHBondContact O-CB 3.38Å; P478-F482 PolarHBondContact O-N 3.49Å; I480-F482 VanDerWaalsContact C-N 3.32Å; I480-F482 PolarHBondContact O-N 3.32Å; F482-L484 VanDerWaalsContact C-N 3.33Å; F482-L484 PolarHBondContact O-N 2.77Å; F482-N485 PolarHBondContact O-N 3.49Å; F482-D486 VanDerWaalsContact O-CB 3.23Å; F482-D486 WeakPolarHBondContact O-CB 3.46Å; F482-D486 PolarHBondContact O-N 2.72Å
483S92.2Very high89.2Confident0 Ų045.5 Ų45.50%025%0.254CS..Hα-helixtrans-70.1-25.8-179.5-58.40000113.9F455 G479 I480 I481 S489F455-S483 WeakPolarHBondContact CE2-OG 3.33Å; F455-S483 WeakPolarHBondContact CZ-OG 3.48Å; G479-S483 PolarHBondContact O-N 3.21Å; G479-S483 PolarHBondContact O-OG 3.15Å; I480-S483 PolarHBondContact O-N 2.94Å; I481-S483 VanDerWaalsContact C-N 3.34Å; I481-S483 PolarHBondContact O-N 3.19Å; S483-S489 PolarHBondContact O-OG 3.41Å
484L92.5Very high89.2Confident3 Ų346.9 Ų46.92%0.01626%0.26CS..Hα-helixtrans-78.8-36.7175.6-65.2178.2000112.7I480 I481 F482 K494 A497 L498 P523I480-L484 HydrophobicContact CG2-CD1 4Å; I480-L484 HydrophobicContact CG2-CG 4.43Å; I480-L484 WeakPolarHBondContact O-CG 3.3Å; I480-L484 PolarHBondContact O-N 2.88Å; I480-L484 VanDerWaalsContact O-N 3.09Å; I481-L484 PolarHBondContact O-N 3.45Å; F482-L484 VanDerWaalsContact C-N 3.33Å; F482-L484 PolarHBondContact O-N 2.77Å; L484-K494 WeakPolarHBondContact O-CE 3.37Å; L484-A497 HydrophobicContact CD2-CB 3.87Å; L484-A497 HydrophobicContact CG-CB 4.44Å; L484-L498 HydrophobicContact CD1-CD2 4.24Å; L484-L498 HydrophobicContact CD2-CD2 3.82Å; L484-L498 HydrophobicContact CD2-CG 3.74Å; L484-P523 HydrophobicContact CB-CB 4.14Å; L484-P523 HydrophobicContact CD1-CB 4.33Å
485N90Very high89.2Confident93 Ų9345.1 Ų45.150%0.49725%0.246SC..Hα-helixtrans-86.7-21.8-176.8-78.4-23.8000114.3I481 F482 K487I481-N485 WeakPolarHBondContact CG2-ND2 3.38Å; I481-N485 WeakPolarHBondContact O-CB 3.3Å; I481-N485 PolarHBondContact O-N 3.34Å; F482-N485 PolarHBondContact O-N 3.49Å; N485-K487 PolarHBondContact O-N 3.48Å
486D82Confident89.3Confident31 Ų3143.9 Ų43.917%0.16624%0.238CC..  trans-63.5117.5-178.2171.319.1000111.2R451 F482 S488 S489R451-D486 IonicContact CZ-OD2 3.55Å; R451-D486 IonicContact NH1-OD2 2.68Å; R451-D486 PolarHBondContact NH1-OD2 3.28Å; R451-D486 IonicContact NH2-OD2 3.72Å; R451-D486 PolarHBondContact NH2-OD2 3.18Å; F482-D486 VanDerWaalsContact O-CB 3.23Å; F482-D486 WeakPolarHBondContact O-CB 3.46Å; F482-D486 PolarHBondContact O-N 2.72Å; D486-S488 VanDerWaalsContact CG-OG 3.24Å; D486-S488 PolarHBondContact O-N 3.1Å; D486-S488 WeakPolarHBondContact OD1-CB 3.49Å; D486-S488 PolarHBondContact OD1-N 3.03Å; D486-S488 PolarHBondContact OD1-OG 3.06Å; D486-S488 PolarHBondContact OD2-OG 3.03Å; D486-S488 VanDerWaalsContact OD2-OG 3.13Å; D486-S489 VanDerWaalsContact CB-OG 3.3Å; D486-S489 WeakPolarHBondContact CB-OG 3.41Å; D486-S489 VanDerWaalsContact CG-OG 3.25Å; D486-S489 VanDerWaalsContact O-CB 3.28Å; D486-S489 WeakPolarHBondContact O-CB 3.47Å; D486-S489 PolarHBondContact O-N 2.74Å; D486-S489 PolarHBondContact OD2-OG 3.32Å
487K76.5Confident89.3Confident210 Ų21043.8 Ų43.891%0.91324%0.237SC*.THydrogen-bonded Turntrans-70.2-21-179.4-67.4-177.9-178.5174.10112.8N485 S489N485-K487 PolarHBondContact O-N 3.48Å; K487-S489 VanDerWaalsContact C-N 3.33Å
488S74.4Confident89.5Confident92 Ų9243.5 Ų43.564%0.64324%0.236SC*.THydrogen-bonded Turntrans-85.4-8.3176.4730000112.9D486 S490D486-S488 VanDerWaalsContact CG-OG 3.24Å; D486-S488 PolarHBondContact O-N 3.1Å; D486-S488 WeakPolarHBondContact OD1-CB 3.49Å; D486-S488 PolarHBondContact OD1-N 3.03Å; D486-S488 PolarHBondContact OD1-OG 3.06Å; D486-S488 PolarHBondContact OD2-OG 3.03Å; D486-S488 VanDerWaalsContact OD2-OG 3.13Å; S488-S490 PolarHBondContact O-N 3.46Å
489S75.6Confident89.6Confident16 Ų1643.1 Ų43.111%0.11223%0.234CC..  trans-66.1133.1-179-74.50000112.2R451 S483 D486 K487 L493R451-S489 PolarHBondContact NH1-OG 3.46Å; S483-S489 PolarHBondContact O-OG 3.41Å; D486-S489 VanDerWaalsContact CB-OG 3.3Å; D486-S489 WeakPolarHBondContact CB-OG 3.41Å; D486-S489 VanDerWaalsContact CG-OG 3.25Å; D486-S489 VanDerWaalsContact O-CB 3.28Å; D486-S489 WeakPolarHBondContact O-CB 3.47Å; D486-S489 PolarHBondContact O-N 2.74Å; D486-S489 PolarHBondContact OD2-OG 3.32Å; K487-S489 VanDerWaalsContact C-N 3.33Å; S489-L493 VanDerWaalsContact OG-CD2 3.31Å; S489-L493 WeakPolarHBondContact OG-CD2 3.47Å
490S85.9Confident89.8Confident42 Ų4243.1 Ų43.129%0.29423%0.234SC..  trans-63.6153.417475.30000110.8V448 S488 N492 L493 K494V448-S490 WeakPolarHBondContact CG1-OG 3.5Å; S488-S490 PolarHBondContact O-N 3.46Å; S490-N492 PolarHBondContact O-N 3.24Å; S490-L493 PolarHBondContact O-N 3.46Å; S490-L493 VanDerWaalsContact O-N 3.11Å; S490-L493 PolarHBondContact OG-N 2.97Å; S490-K494 PolarHBondContact O-N 2.98Å
491S90.3Very high89.9Confident57 Ų5743 Ų4340%0.39923%0.233SC..Hα-helixtrans-58.1-33.9176.4-52.60000112.3K494 I495S491-K494 PolarHBondContact O-N 3.44Å; S491-I495 WeakPolarHBondContact O-CD1 3.2Å; S491-I495 VanDerWaalsContact O-CG1 3.25Å; S491-I495 WeakPolarHBondContact O-CG1 3.23Å; S491-I495 PolarHBondContact O-N 2.84Å; S491-I495 VanDerWaalsContact O-N 3.12Å
492N91.9Very high90.1Very high101 Ų10145.3 Ų45.354%0.5424%0.241SC..Hα-helixtrans-65.4-41.6177.1-65.8-22.7000111.7S490 K494 I495 D496S490-N492 PolarHBondContact O-N 3.24Å; N492-K494 VanDerWaalsContact C-N 3.34Å; N492-K494 PolarHBondContact O-N 3.41Å; N492-I495 WeakPolarHBondContact O-CB 3.33Å; N492-I495 PolarHBondContact O-N 3.31Å; N492-D496 VanDerWaalsContact O-CG 3.24Å; N492-D496 PolarHBondContact O-N 2.73Å
493L92.4Very high90.2Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-61.2-42.6177.6176.461.8000112.1V448 R451 Q452 F455 S489 S490 I495 D496 A497V448-L493 HydrophobicContact CG1-CB 4.01Å; V448-L493 HydrophobicContact CG1-CD2 4.07Å; V448-L493 HydrophobicContact CG2-CD2 4.35Å; R451-L493 HydrophobicContact CB-CD1 3.65Å; R451-L493 HydrophobicContact CB-CD2 4.35Å; Q452-L493 HydrophobicContact CG-CB 4.14Å; Q452-L493 HydrophobicContact CG-CD1 3.69Å; F455-L493 HydrophobicContact CD2-CD1 3.84Å; F455-L493 HydrophobicContact CE2-CD1 3.67Å; S489-L493 VanDerWaalsContact OG-CD2 3.31Å; S489-L493 WeakPolarHBondContact OG-CD2 3.47Å; S490-L493 PolarHBondContact O-N 3.46Å; S490-L493 VanDerWaalsContact O-N 3.11Å; S490-L493 PolarHBondContact OG-N 2.97Å; L493-I495 VanDerWaalsContact C-N 3.34Å; L493-D496 PolarHBondContact O-N 2.97Å; L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 3.37Å
494K93.2Very high90.4Very high33 Ų3342.2 Ų42.214%0.14323%0.229CC..Hα-helixtrans-64.7-39.2176.4-70.4-173.1177.3-171.30112.1L484 S490 S491 N492 L498 I535L484-K494 WeakPolarHBondContact O-CE 3.37Å; S490-K494 PolarHBondContact O-N 2.98Å; S491-K494 PolarHBondContact O-N 3.44Å; N492-K494 VanDerWaalsContact C-N 3.34Å; N492-K494 PolarHBondContact O-N 3.41Å; K494-L498 WeakPolarHBondContact O-CB 3.43Å; K494-L498 VanDerWaalsContact O-CG 3.25Å; K494-L498 WeakPolarHBondContact O-CG 3.36Å; K494-L498 PolarHBondContact O-N 3.44Å; K494-I535 HydrophobicContact CB-CD1 4.1Å; K494-I535 HydrophobicContact CB-CG1 4.19Å; K494-I535 HydrophobicContact CD-CD1 4.03Å
495I93.8Very high90.4Very high29 Ų2942.2 Ų42.215%0.14923%0.229CC..Hα-helixtrans-62.2-49.7175.2-70.2164.5000110.2S491 N492 L493 A497 L498 S499 F532 K534 I535 E538S491-I495 WeakPolarHBondContact O-CD1 3.2Å; S491-I495 VanDerWaalsContact O-CG1 3.25Å; S491-I495 WeakPolarHBondContact O-CG1 3.23Å; S491-I495 PolarHBondContact O-N 2.84Å; S491-I495 VanDerWaalsContact O-N 3.12Å; N492-I495 WeakPolarHBondContact O-CB 3.33Å; N492-I495 PolarHBondContact O-N 3.31Å; L493-I495 VanDerWaalsContact C-N 3.34Å; I495-A497 VanDerWaalsContact C-N 3.32Å; I495-A497 PolarHBondContact O-N 3.44Å; I495-L498 PolarHBondContact O-N 3.23Å; I495-S499 WeakPolarHBondContact O-CB 3.32Å; I495-S499 PolarHBondContact O-N 3.46Å; I495-F532 HydrophobicContact CD1-CE1 4.06Å; I495-K534 HydrophobicContact CD1-CB 3.74Å; I495-K534 HydrophobicContact CD1-CD 4.26Å; I495-K534 HydrophobicContact CG1-CB 4.36Å; I495-I535 HydrophobicContact CG1-CG1 3.97Å; I495-E538 HydrophobicContact CG2-CG 4.27Å
496D93.7Very high90.6Very high35 Ų3540.3 Ų40.319%0.18722%0.222CC..Hα-helixtrans-61.9-40.6179.8-63.7-24.3000111.5Q452 F455 N492 L493 C500Q452-D496 WeakPolarHBondContact CG-OD2 3.31Å; Q452-D496 PolarHBondContact NE2-OD2 3.3Å; F455-D496 HydrophobicContact CB-CB 4.25Å; N492-D496 VanDerWaalsContact O-CG 3.24Å; N492-D496 PolarHBondContact O-N 2.73Å; L493-D496 PolarHBondContact O-N 2.97Å; D496-C500 WeakPolarHBondContact O-CB 3.45Å; D496-C500 PolarHBondContact O-N 3.15Å
497A95.3Very high91.1Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-64.8-42.9176.400000112.7F455 L484 L493 I495 L501F455-A497 HydrophobicContact CD1-CB 4.41Å; F455-A497 HydrophobicContact CD2-CB 4.04Å; F455-A497 HydrophobicContact CE1-CB 4.08Å; F455-A497 HydrophobicContact CE2-CB 3.68Å; F455-A497 HydrophobicContact CG-CB 4.4Å; F455-A497 HydrophobicContact CZ-CB 3.71Å; L484-A497 HydrophobicContact CD2-CB 3.87Å; L484-A497 HydrophobicContact CG-CB 4.44Å; L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 3.37Å; I495-A497 VanDerWaalsContact C-N 3.32Å; I495-A497 PolarHBondContact O-N 3.44Å; A497-L501 WeakPolarHBondContact O-CB 3.37Å; A497-L501 PolarHBondContact O-N 3.17Å
498L96.3Very high91.8Very high0 Ų032.1 Ų32.10%019%0.188CC..Hα-helixtrans-68.2-43.6176.9-71.9168.6000111.7L484 K494 I495 L501 Y502 C527 I535 E538 A539 V542L484-L498 HydrophobicContact CD1-CD2 4.24Å; L484-L498 HydrophobicContact CD2-CD2 3.82Å; L484-L498 HydrophobicContact CD2-CG 3.74Å; K494-L498 WeakPolarHBondContact O-CB 3.43Å; K494-L498 VanDerWaalsContact O-CG 3.25Å; K494-L498 WeakPolarHBondContact O-CG 3.36Å; K494-L498 PolarHBondContact O-N 3.44Å; I495-L498 PolarHBondContact O-N 3.23Å; L498-L501 PolarHBondContact O-N 3Å; L498-Y502 WeakPolarHBondContact O-CB 3.25Å; L498-Y502 PolarHBondContact O-N 3.47Å; L498-C527 HydrophobicContact CD1-CB 4.21Å; L498-I535 HydrophobicContact CD1-CG2 4.03Å; L498-E538 HydrophobicContact CB-CB 3.8Å; L498-E538 HydrophobicContact CD1-CB 3.93Å; L498-A539 HydrophobicContact CD1-CB 3.99Å; L498-A539 HydrophobicContact CD2-CB 4.33Å; L498-V542 HydrophobicContact CB-CG2 4.23Å; L498-V542 HydrophobicContact CD2-CG2 4.11Å; L498-V542 WeakPolarHBondContact O-CG2 3.38Å
499S95.4Very high92.6Very high43 Ų4330.3 Ų30.330%0.30118%0.175SC..Hα-helixtrans-60.7-45.3175.6176.90000111I495 L501 Y502 V503I495-S499 WeakPolarHBondContact O-CB 3.32Å; I495-S499 PolarHBondContact O-N 3.46Å; S499-L501 PolarHBondContact O-N 3.18Å; S499-Y502 PolarHBondContact O-N 3.05Å; S499-V503 WeakPolarHBondContact O-CG2 3.47Å; S499-V503 PolarHBondContact O-N 3.47Å
500C95.5Very high93.3Very high0 Ų030.8 Ų30.80%018%0.178CC..Hα-helixtrans-59.7-46.2174.7-175.50000111.7F455 T459 D496 Y502 V503 I504F455-C500 HydrophobicContact CB-CB 4.04Å; F455-C500 HydrophobicContact CD1-CB 3.98Å; F455-C500 HydrophobicContact CG-CB 4.37Å; T459-C500 WeakPolarHBondContact OG1-CA 3.21Å; T459-C500 WeakPolarHBondContact OG1-CB 3.32Å; D496-C500 WeakPolarHBondContact O-CB 3.45Å; D496-C500 PolarHBondContact O-N 3.15Å; C500-Y502 PolarHBondContact O-N 3.3Å; C500-V503 PolarHBondContact O-N 2.62Å; C500-I504 WeakPolarHBondContact O-CB 3.42Å; C500-I504 VanDerWaalsContact O-CG1 3.27Å; C500-I504 WeakPolarHBondContact O-CG1 3.45Å; C500-I504 PolarHBondContact O-N 3.26Å
501L96.4Very high93.5Very high2 Ų232.4 Ų32.41%0.0118%0.181CC..Hα-helixtrans-61.7-4217717958.7000111.9I480 A497 L498 S499 I504 L505 L520 V524 V542I480-L501 HydrophobicContact CD1-CD1 4.3Å; I480-L501 HydrophobicContact CG2-CB 4.39Å; I480-L501 HydrophobicContact CG2-CD2 4.24Å; A497-L501 WeakPolarHBondContact O-CB 3.37Å; A497-L501 PolarHBondContact O-N 3.17Å; L498-L501 PolarHBondContact O-N 3Å; S499-L501 PolarHBondContact O-N 3.18Å; L501-I504 PolarHBondContact O-N 2.83Å; L501-L505 HydrophobicContact CD1-CD1 4.02Å; L501-L505 HydrophobicContact CD1-CG 4.02Å; L501-L505 HydrophobicContact CG-CD1 3.92Å; L501-L505 HydrophobicContact CG-CG 4.39Å; L501-L505 WeakPolarHBondContact O-CB 3.2Å; L501-L505 WeakPolarHBondContact O-CG 3.49Å; L501-L505 PolarHBondContact O-N 3.08Å; L501-L520 HydrophobicContact CD1-CD2 4.35Å; L501-L520 HydrophobicContact CD2-CD2 4.28Å; L501-V524 HydrophobicContact CD2-CG2 4.03Å; L501-V542 HydrophobicContact CB-CG2 4.47Å; L501-V542 HydrophobicContact CD2-CG1 3.63Å; L501-V542 HydrophobicContact CG-CG1 3.95Å; L501-V542 HydrophobicContact CG-CG2 4.5Å
502Y96.5Very high93.6Very high79 Ų7931 Ų3131%0.3117%0.17SC..Hα-helixtrans-59.4-49.5175.2172.4-102.2000111.6L498 S499 C500 I504 L505 C506 L541 Q545L498-Y502 WeakPolarHBondContact O-CB 3.25Å; L498-Y502 PolarHBondContact O-N 3.47Å; S499-Y502 PolarHBondContact O-N 3.05Å; C500-Y502 PolarHBondContact O-N 3.3Å; Y502-I504 VanDerWaalsContact C-N 3.33Å; Y502-I504 PolarHBondContact O-N 3.25Å; Y502-L505 PolarHBondContact O-N 3.45Å; Y502-C506 PolarHBondContact O-N 3.2Å; Y502-C506 PolarHBondContact O-SG 3.03Å; Y502-C506 VanDerWaalsContact O-SG 3.36Å; Y502-L541 HydrophobicContact CD2-CB 4.16Å; Y502-L541 HydrophobicContact CE2-CB 4.42Å; Y502-L541 HydrophobicContact CE2-CD2 4.07Å; Y502-Q545 HydrophobicContact CD2-CB 4.28Å; Y502-Q545 HydrophobicContact CE2-CB 4.37Å
503V94.7Very high93.6Very high19 Ų1926.3 Ų26.312%0.11514%0.144CC..Hα-helixtrans-61.2-42.3178.5171.60000111.2T459 V462 S499 C500 C506 N507T459-V503 HydrophobicContact CG2-CB 4.36Å; T459-V503 HydrophobicContact CG2-CG1 4.28Å; T459-V503 HydrophobicContact CG2-CG2 4.08Å; V462-V503 HydrophobicContact CB-CG1 4.13Å; V462-V503 HydrophobicContact CG1-CG1 3.82Å; S499-V503 WeakPolarHBondContact O-CG2 3.47Å; S499-V503 PolarHBondContact O-N 3.47Å; C500-V503 PolarHBondContact O-N 2.62Å; V503-C506 PolarHBondContact O-N 3.24Å; V503-N507 WeakPolarHBondContact O-CB 3.44Å; V503-N507 PolarHBondContact O-N 3.09Å; V503-N507 PolarHBondContact O-ND2 3.41Å
504I95.1Very high93.7Very high2 Ų227.6 Ų27.61%0.0115%0.151CC..Hα-helixtrans-61.3-46.5175.7-72.2167.2000110.9V462 L469 I473 I480 C500 L501 Y502 C506 N507 H508 F513V462-I504 HydrophobicContact CG2-CG1 4.1Å; L469-I504 HydrophobicContact CD1-CD1 4.35Å; L469-I504 HydrophobicContact CD1-CG1 4.34Å; I473-I504 HydrophobicContact CD1-CG2 3.68Å; I480-I504 HydrophobicContact CD1-CD1 4.41Å; C500-I504 WeakPolarHBondContact O-CB 3.42Å; C500-I504 VanDerWaalsContact O-CG1 3.27Å; C500-I504 WeakPolarHBondContact O-CG1 3.45Å; C500-I504 PolarHBondContact O-N 3.26Å; L501-I504 PolarHBondContact O-N 2.83Å; Y502-I504 VanDerWaalsContact C-N 3.33Å; Y502-I504 PolarHBondContact O-N 3.25Å; I504-C506 VanDerWaalsContact C-N 3.32Å; I504-C506 PolarHBondContact O-N 3.39Å; I504-N507 PolarHBondContact O-N 3.41Å; I504-H508 PolarHBondContact O-N 3.06Å; I504-H508 PolarHBondContact O-ND1 3.27Å; I504-F513 HydrophobicContact CG2-CE1 3.65Å; I504-F513 HydrophobicContact CG2-CZ 3.55Å
505L94.6Very high93.7Very high2 Ų230.8 Ų30.81%0.0117%0.174CC..Hα-helixtrans-68-26.8-179.2-69.8168.2000113.7L501 Y502 F513 V542 Q545 L546 V549L501-L505 HydrophobicContact CD1-CD1 4.02Å; L501-L505 HydrophobicContact CD1-CG 4.02Å; L501-L505 HydrophobicContact CG-CD1 3.92Å; L501-L505 HydrophobicContact CG-CG 4.39Å; L501-L505 WeakPolarHBondContact O-CB 3.2Å; L501-L505 WeakPolarHBondContact O-CG 3.49Å; L501-L505 PolarHBondContact O-N 3.08Å; Y502-L505 PolarHBondContact O-N 3.45Å; L505-F513 HydrophobicContact CD2-CB 4.41Å; L505-F513 HydrophobicContact CD2-CD1 3.72Å; L505-F513 HydrophobicContact CD2-CD2 3.79Å; L505-F513 HydrophobicContact CD2-CE1 3.87Å; L505-F513 HydrophobicContact CD2-CE2 3.91Å; L505-F513 HydrophobicContact CD2-CG 3.69Å; L505-F513 HydrophobicContact CD2-CZ 3.97Å; L505-V542 HydrophobicContact CD1-CG1 3.96Å; L505-Q545 HydrophobicContact CB-CB 4.41Å; L505-Q545 HydrophobicContact CB-CG 3.57Å; L505-Q545 PolarHBondContact O-NE2 3.46Å; L505-Q545 VanDerWaalsContact O-NE2 3.08Å; L505-L546 HydrophobicContact CD2-CD1 4.49Å; L505-V549 HydrophobicContact CD2-CG2 4.12Å
506C93.1Very high93.7Very high53 Ų5330.9 Ų30.936%0.35817%0.174SC..Hα-helixtrans-78.7-29.8177.2-73.20000113Y502 V503 I504Y502-C506 PolarHBondContact O-N 3.2Å; Y502-C506 PolarHBondContact O-SG 3.03Å; Y502-C506 VanDerWaalsContact O-SG 3.36Å; V503-C506 PolarHBondContact O-N 3.24Å; I504-C506 VanDerWaalsContact C-N 3.32Å; I504-C506 PolarHBondContact O-N 3.39Å
507N92.2Very high93.7Very high55 Ų5529.2 Ų29.229%0.29417%0.165SC..SBendtrans-106.912.1-169.7-70.5-74.8000114.2V462 P466 G467 V503 I504V462-N507 HydrophobicContact CG1-CB 3.46Å; V462-N507 VanDerWaalsContact CG1-CB 3.46Å; P466-N507 HydrophobicContact CB-CB 4.26Å; G467-N507 VanDerWaalsContact CA-O 3.3Å; G467-N507 WeakPolarHBondContact CA-O 3.4Å; G467-N507 PolarHBondContact N-O 3.22Å; V503-N507 WeakPolarHBondContact O-CB 3.44Å; V503-N507 PolarHBondContact O-N 3.09Å; V503-N507 PolarHBondContact O-ND2 3.41Å; I504-N507 PolarHBondContact O-N 3.41Å
508H91.7Very high93.6Very high15 Ų1536.1 Ų36.17%0.06920%0.197CC..SBendtrans-133.6157.9178.4-65.877.3000110.5G467 L469 T470 I504 F513G467-H508 VanDerWaalsContact C-NE2 3.28Å; G467-H508 VanDerWaalsContact CA-CD2 3.48Å; G467-H508 WeakPolarHBondContact CA-CD2 3.37Å; G467-H508 WeakPolarHBondContact CA-NE2 3.47Å; L469-H508 WeakPolarHBondContact CB-NE2 3.43Å; L469-H508 PolarHBondContact N-NE2 3.41Å; T470-H508 PolarHBondContact OG1-CD2 3.26Å; I504-H508 PolarHBondContact O-N 3.06Å; I504-H508 PolarHBondContact O-ND1 3.27Å; H508-F513 HydrophobicContact CB-CE2 3.67Å; H508-F513 HydrophobicContact CB-CZ 3.81Å
509S90.6Very high93.5Very high53 Ų5338.3 Ų38.337%0.37122%0.216SC..  trans-67.1143178.697.80000111.2Q511 V512S509-Q511 VanDerWaalsContact C-N 3.25Å; S509-Q511 VanDerWaalsContact CB-OE1 3.28Å; S509-Q511 PolarHBondContact O-N 2.94Å; S509-Q511 PolarHBondContact OG-OE1 3.41Å; S509-V512 PolarHBondContact O-N 2.99Å
510P90.2Very high93.5Very high27 Ų2736.3 Ų36.318%0.17520%0.202CC..G310 helixtrans-53.2-37.3-179.9-33.238.9000115.2V512 F513 H514 V549 P552P510-V512 PolarHBondContact O-N 3.4Å; P510-F513 PolarHBondContact O-N 2.9Å; P510-F513 VanDerWaalsContact O-N 3.1Å; P510-H514 PolarHBondContact O-CD2 3.24Å; P510-V549 HydrophobicContact CB-CG1 4.39Å; P510-P552 HydrophobicContact CB-CG 4.31Å; P510-P552 HydrophobicContact CG-CB 4.24Å
511Q90.6Very high93.5Very high75 Ų7536.5 Ų36.535%0.3520%0.203SC..G310 helixtrans-63-27.4-172.7-58.6831.900112.7S509 F513 H514S509-Q511 VanDerWaalsContact C-N 3.25Å; S509-Q511 VanDerWaalsContact CB-OE1 3.28Å; S509-Q511 PolarHBondContact O-N 2.94Å; S509-Q511 PolarHBondContact OG-OE1 3.41Å; Q511-F513 PolarHBondContact O-N 2.86Å; Q511-H514 PolarHBondContact O-N 3.21Å
512V91.6Very high93.4Very high28 Ų2840 Ų4017%0.1723%0.226CC..G310 helixtrans-64.2-30.1179.1-176.10000111.5T470 I473 S509 P510T470-V512 HydrophobicContact CG2-CG1 4.41Å; T470-V512 HydrophobicContact CG2-CG2 3.74Å; T470-V512 WeakPolarHBondContact O-CG1 3.37Å; I473-V512 HydrophobicContact CB-CG1 3.91Å; I473-V512 HydrophobicContact CG1-CG1 3.59Å; I473-V512 HydrophobicContact CG2-CG1 4.37Å; S509-V512 PolarHBondContact O-N 2.99Å; P510-V512 PolarHBondContact O-N 3.4Å
513F93.6Very high93.4Very high2 Ų236.6 Ų36.61%0.00921%0.213CC..THydrogen-bonded Turntrans-92.7-16.2-176.7-59.3-75.8000113.8I473 I504 L505 H508 P510 Q511 P515 H516 V517 V549I473-F513 HydrophobicContact CD1-CE1 3.98Å; I473-F513 HydrophobicContact CD1-CZ 4.29Å; I473-F513 HydrophobicContact CG1-CE1 4.07Å; I473-F513 HydrophobicContact CG1-CZ 4.42Å; I473-F513 HydrophobicContact CG2-CD1 3.86Å; I473-F513 HydrophobicContact CG2-CE1 3.82Å; I504-F513 HydrophobicContact CG2-CE1 3.65Å; I504-F513 HydrophobicContact CG2-CZ 3.55Å; L505-F513 HydrophobicContact CD2-CB 4.41Å; L505-F513 HydrophobicContact CD2-CD1 3.72Å; L505-F513 HydrophobicContact CD2-CD2 3.79Å; L505-F513 HydrophobicContact CD2-CE1 3.87Å; L505-F513 HydrophobicContact CD2-CE2 3.91Å; L505-F513 HydrophobicContact CD2-CG 3.69Å; L505-F513 HydrophobicContact CD2-CZ 3.97Å; H508-F513 HydrophobicContact CB-CE2 3.67Å; H508-F513 HydrophobicContact CB-CZ 3.81Å; P510-F513 PolarHBondContact O-N 2.9Å; P510-F513 VanDerWaalsContact O-N 3.1Å; Q511-F513 PolarHBondContact O-N 2.86Å; F513-P515 VanDerWaalsContact C-CD 3.42Å; F513-P515 VanDerWaalsContact C-N 3.32Å; F513-H516 CarbonylContact O-C 3.58Å; F513-H516 WeakPolarHBondContact O-CA 3.44Å; F513-H516 PolarHBondContact O-N 2.89Å; F513-V517 WeakPolarHBondContact O-CG2 3.49Å; F513-V517 PolarHBondContact O-N 2.72Å; F513-V549 HydrophobicContact CB-CG1 3.7Å; F513-V549 HydrophobicContact CD2-CG1 4.24Å; F513-V549 HydrophobicContact CD2-CG2 4.48Å; F513-V549 HydrophobicContact CG-CG1 4.36Å
514H93.1Very high93.4Very high28 Ų2835.7 Ų35.713%0.1321%0.208CC..G310 helixtrans-49.8-43.3-179-70.1171.5000113.8P510 Q511 H516 V549 S557 F559P510-H514 PolarHBondContact O-CD2 3.24Å; Q511-H514 PolarHBondContact O-N 3.21Å; H514-H516 PolarHBondContact O-N 3.23Å; H514-H516 VanDerWaalsContact O-N 3.17Å; H514-V549 PolarHBondContact CD2-O 2.93Å; H514-V549 PolarHBondContact NE2-O 3.45Å; H514-S557 PolarHBondContact CE1-OG 3.31Å; H514-F559 HydrophobicContact CB-CD2 3.65Å; H514-F559 HydrophobicContact CB-CE2 4Å; H514-F559 HydrophobicContact CB-CG 4.29Å; H514-F559 AromaticContact CD2-CG 3.96Å; H514-F559 AromaticContact CG-CD2 3.76Å; H514-F559 AromaticContact CG-CG 3.89Å; H514-F559 WeakPolarHBondContact O-CE2 3.27Å
515P92.9Very high93.5Very high99 Ų9937.1 Ų37.164%0.64322%0.216SC*.G310 helixtrans-64.5-18.6176.1-21.434.6000114.5F513F513-P515 VanDerWaalsContact C-CD 3.42Å; F513-P515 VanDerWaalsContact C-N 3.32Å
516H93.9Very high93.5Very high31 Ų3140 Ų4014%0.14424%0.24CC..G310 helixtrans-109.9-8.6-172-58.3-60.6000113.7P474 V477 F513 H514 Q518 A519 L520P474-H516 WeakPolarHBondContact CA-NE2 3.4Å; V477-H516 HydrophobicContact CG1-CB 4.22Å; V477-H516 HydrophobicContact CG2-CB 4.09Å; F513-H516 CarbonylContact O-C 3.58Å; F513-H516 WeakPolarHBondContact O-CA 3.44Å; F513-H516 PolarHBondContact O-N 2.89Å; H514-H516 PolarHBondContact O-N 3.23Å; H514-H516 VanDerWaalsContact O-N 3.17Å; H516-Q518 VanDerWaalsContact C-N 3.29Å; H516-Q518 PolarHBondContact O-N 3.49Å; H516-A519 PolarHBondContact O-N 2.92Å; H516-L520 HydrophobicContact CB-CD1 4.09Å; H516-L520 WeakPolarHBondContact O-CG 3.47Å; H516-L520 PolarHBondContact O-N 3.48Å
517V93.4Very high93.5Very high0 Ų037.6 Ų37.60%023%0.225CC..Hα-helixtrans-53.8-44.5-179.4170.60000111.6F513 A519 L520 V521 I550 F559 Y564F513-V517 WeakPolarHBondContact O-CG2 3.49Å; F513-V517 PolarHBondContact O-N 2.72Å; V517-A519 PolarHBondContact O-N 3.32Å; V517-L520 PolarHBondContact O-N 3.44Å; V517-V521 HydrophobicContact CG1-CG2 3.71Å; V517-V521 VanDerWaalsContact O-CG2 3.31Å; V517-V521 WeakPolarHBondContact O-CG2 3.33Å; V517-V521 PolarHBondContact O-N 3.42Å; V517-I550 HydrophobicContact CG1-CD1 3.89Å; V517-I550 HydrophobicContact CG1-CG1 3.77Å; V517-I550 HydrophobicContact CG2-CG1 4.2Å; V517-F559 HydrophobicContact CB-CE1 4.39Å; V517-F559 HydrophobicContact CB-CZ 3.8Å; V517-F559 HydrophobicContact CG1-CE1 4.17Å; V517-F559 HydrophobicContact CG1-CZ 3.93Å; V517-F559 HydrophobicContact CG2-CE1 4.33Å; V517-F559 HydrophobicContact CG2-CZ 4.01Å; V517-Y564 HydrophobicContact CG1-CD1 4.16Å; V517-Y564 HydrophobicContact CG1-CD2 3.92Å; V517-Y564 HydrophobicContact CG1-CE1 4.07Å; V517-Y564 HydrophobicContact CG1-CE2 3.82Å; V517-Y564 HydrophobicContact CG1-CG 4.09Å
518Q94.1Very high93.7Very high145 Ų14535 Ų3568%0.67821%0.211SC*.Hα-helixtrans-59.4-33.5179.8-172.7176.4-1.900113H516 P522 Y564H516-Q518 VanDerWaalsContact C-N 3.29Å; H516-Q518 PolarHBondContact O-N 3.49Å; Q518-P522 WeakPolarHBondContact O-CD 3.49Å; Q518-Y564 HydrophobicContact CB-CE1 4.17Å; Q518-Y564 HydrophobicContact CG-CE1 4.46Å
519A94.4Very high93.8Very high47 Ų4736.8 Ų36.839%0.38823%0.233SC..Hα-helixtrans-84-31.2178.700000112.5I481 H516 V517 P523I481-A519 HydrophobicContact CD1-CB 3.65Å; I481-A519 WeakPolarHBondContact CD1-O 3.25Å; H516-A519 PolarHBondContact O-N 2.92Å; V517-A519 PolarHBondContact O-N 3.32Å; A519-P523 WeakPolarHBondContact O-CD 3.22Å; A519-P523 WeakPolarHBondContact O-CG 3.41Å
520L95.1Very high93.9Very high1 Ų135.5 Ų35.51%0.00522%0.222CC..Hα-helixtrans-82.5-36.1-177.2-72170.9000113.7V477 I481 L501 H516 V517 P523 V524V477-L520 HydrophobicContact CG1-CD2 3.99Å; V477-L520 HydrophobicContact CG1-CG 4.18Å; V477-L520 HydrophobicContact CG2-CD1 4.41Å; I481-L520 HydrophobicContact CD1-CD2 4.48Å; I481-L520 HydrophobicContact CG1-CD2 4.23Å; L501-L520 HydrophobicContact CD1-CD2 4.35Å; L501-L520 HydrophobicContact CD2-CD2 4.28Å; H516-L520 HydrophobicContact CB-CD1 4.09Å; H516-L520 WeakPolarHBondContact O-CG 3.47Å; H516-L520 PolarHBondContact O-N 3.48Å; V517-L520 PolarHBondContact O-N 3.44Å; L520-P523 VanDerWaalsContact O-CD 3.26Å; L520-P523 WeakPolarHBondContact O-CD 3.42Å; L520-P523 VanDerWaalsContact O-CG 3.31Å; L520-P523 WeakPolarHBondContact O-CG 3.47Å; L520-V524 VanDerWaalsContact O-CG2 3.24Å; L520-V524 WeakPolarHBondContact O-CG2 3.32Å; L520-V524 PolarHBondContact O-N 3.42Å
521V95.2Very high93.9Very high3 Ų340.3 Ų40.32%0.01825%0.253CS..Hα-helixtrans-60.1-50.6-176.2169.80000112.3V517 V524 V525 L546 I550 Y564 L568V517-V521 HydrophobicContact CG1-CG2 3.71Å; V517-V521 VanDerWaalsContact O-CG2 3.31Å; V517-V521 WeakPolarHBondContact O-CG2 3.33Å; V517-V521 PolarHBondContact O-N 3.42Å; V521-V524 PolarHBondContact O-N 3.26Å; V521-V525 HydrophobicContact CG1-CG2 3.85Å; V521-V525 WeakPolarHBondContact O-CB 3.22Å; V521-V525 VanDerWaalsContact O-CG2 3.25Å; V521-V525 WeakPolarHBondContact O-CG2 3.42Å; V521-V525 PolarHBondContact O-N 3.48Å; V521-L546 HydrophobicContact CG2-CD2 3.62Å; V521-L546 HydrophobicContact CG2-CG 4.5Å; V521-I550 HydrophobicContact CG2-CD1 4.34Å; V521-Y564 HydrophobicContact CB-CD1 4.34Å; V521-Y564 HydrophobicContact CG1-CD1 4.48Å; V521-Y564 HydrophobicContact CG2-CD1 4.06Å; V521-Y564 HydrophobicContact CG2-CG 4.35Å; V521-L568 HydrophobicContact CG1-CD2 3.83Å; V521-L568 HydrophobicContact CG1-CG 4.34Å; V521-L568 HydrophobicContact CG2-CD2 4.49Å
522P95.6Very high94Very high77 Ų7740.3 Ų40.350%0.525%0.252SS..Hα-helixtrans-57.2-49.8-177-23.633.8000115.3Q518 V524 V525 A526Q518-P522 WeakPolarHBondContact O-CD 3.49Å; P522-V524 PolarHBondContact O-N 2.99Å; P522-V525 PolarHBondContact O-N 3.4Å; P522-A526 PolarHBondContact O-N 3.47Å
523P94.9Very high94.1Very high6 Ų643 Ų434%0.03926%0.259CS..Hα-helixtrans-66.1-36.7178.424-32.6000112.5I481 L484 A519 L520 A526 C527I481-P523 HydrophobicContact CG1-CG 4.27Å; I481-P523 HydrophobicContact CG2-CG 4.38Å; L484-P523 HydrophobicContact CB-CB 4.14Å; L484-P523 HydrophobicContact CD1-CB 4.33Å; A519-P523 WeakPolarHBondContact O-CD 3.22Å; A519-P523 WeakPolarHBondContact O-CG 3.41Å; L520-P523 VanDerWaalsContact O-CD 3.26Å; L520-P523 WeakPolarHBondContact O-CD 3.42Å; L520-P523 VanDerWaalsContact O-CG 3.31Å; L520-P523 WeakPolarHBondContact O-CG 3.47Å; P523-A526 PolarHBondContact O-N 2.89Å; P523-C527 PolarHBondContact O-N 3.47Å; P523-C527 PolarHBondContact O-SG 2.94Å; P523-C527 VanDerWaalsContact O-SG 3.38Å
524V96.1Very high94.1Very high0 Ų047.2 Ų47.20%028%0.278CS..Hα-helixtrans-64.4-44.2176173.40000110.7L501 L520 V521 P522 A526 C527 V528 V542 T543L501-V524 HydrophobicContact CD2-CG2 4.03Å; L520-V524 VanDerWaalsContact O-CG2 3.24Å; L520-V524 WeakPolarHBondContact O-CG2 3.32Å; L520-V524 PolarHBondContact O-N 3.42Å; V521-V524 PolarHBondContact O-N 3.26Å; P522-V524 PolarHBondContact O-N 2.99Å; V524-A526 VanDerWaalsContact C-N 3.3Å; V524-A526 PolarHBondContact O-N 2.95Å; V524-C527 PolarHBondContact O-N 2.96Å; V524-C527 VanDerWaalsContact O-N 3.16Å; V524-V528 WeakPolarHBondContact O-CG2 3.42Å; V524-V528 PolarHBondContact O-N 3.25Å; V524-V542 HydrophobicContact CG1-CB 4.32Å; V524-V542 HydrophobicContact CG1-CG1 3.94Å; V524-V542 HydrophobicContact CG2-CG1 3.83Å; V524-T543 WeakPolarHBondContact CG1-OG1 3.41Å
525V95.8Very high94.2Very high32 Ų3246 Ų4619%0.19427%0.272CS..Hα-helixtrans-60.9-39.5175.9167.70000111.5V521 P522 V528 G529 L568 C571V521-V525 HydrophobicContact CG1-CG2 3.85Å; V521-V525 WeakPolarHBondContact O-CB 3.22Å; V521-V525 VanDerWaalsContact O-CG2 3.25Å; V521-V525 WeakPolarHBondContact O-CG2 3.42Å; V521-V525 PolarHBondContact O-N 3.48Å; P522-V525 PolarHBondContact O-N 3.4Å; V525-V528 PolarHBondContact O-N 2.62Å; V525-G529 PolarHBondContact O-N 3Å; V525-L568 HydrophobicContact CG2-CD2 3.92Å; V525-C571 HydrophobicContact CG1-CB 3.87Å
526A94.6Very high94.3Very high62 Ų6241.4 Ų41.451%0.51224%0.242SC..Hα-helixtrans-62.8-43174.200000111.9P522 P523 V524 V528 G529 D530P522-A526 PolarHBondContact O-N 3.47Å; P523-A526 PolarHBondContact O-N 2.89Å; V524-A526 VanDerWaalsContact C-N 3.3Å; V524-A526 PolarHBondContact O-N 2.95Å; A526-V528 PolarHBondContact O-N 3.28Å; A526-G529 CarbonylContact O-C 3.58Å; A526-G529 WeakPolarHBondContact O-CA 3.36Å; A526-G529 PolarHBondContact O-N 2.9Å; A526-D530 PolarHBondContact O-N 3.43Å
527C94.9Very high94.4Very high4 Ų439.9 Ų39.93%0.02724%0.236CC..Hα-helixtrans-66-32.3176.2-69.90000113.3L498 P523 V524 G529 D530 I535 A539L498-C527 HydrophobicContact CD1-CB 4.21Å; P523-C527 PolarHBondContact O-N 3.47Å; P523-C527 PolarHBondContact O-SG 2.94Å; P523-C527 VanDerWaalsContact O-SG 3.38Å; V524-C527 PolarHBondContact O-N 2.96Å; V524-C527 VanDerWaalsContact O-N 3.16Å; C527-G529 PolarHBondContact O-N 3.39Å; C527-D530 WeakPolarHBondContact O-CB 3.25Å; C527-D530 PolarHBondContact O-N 3.18Å; C527-D530 VanDerWaalsContact O-N 3.11Å; C527-I535 HydrophobicContact CB-CG2 3.95Å; C527-A539 HydrophobicContact CB-CB 3.65Å
528V95.7Very high94.5Very high1 Ų141.7 Ų41.71%0.00624%0.244CC..Hα-helixtrans-62.4-27.8169.71750000111V524 V525 A526 T536 A539 L540 C571 R575V524-V528 WeakPolarHBondContact O-CG2 3.42Å; V524-V528 PolarHBondContact O-N 3.25Å; V525-V528 PolarHBondContact O-N 2.62Å; A526-V528 PolarHBondContact O-N 3.28Å; V528-T536 WeakPolarHBondContact O-CG2 3.08Å; V528-A539 HydrophobicContact CB-CB 4.43Å; V528-A539 HydrophobicContact CG2-CB 3.63Å; V528-L540 HydrophobicContact CG1-CD2 3.8Å; V528-L540 HydrophobicContact CG1-CG 4.22Å; V528-L540 HydrophobicContact CG2-CD2 4.25Å; V528-L540 HydrophobicContact CG2-CG 4.36Å; V528-C571 HydrophobicContact CB-CB 4.47Å; V528-C571 HydrophobicContact CG1-CB 4.14Å; V528-R575 HydrophobicContact CG1-CG 4.07Å; V528-R575 VanDerWaalsContact O-CZ 3.25Å; V528-R575 PolarHBondContact O-NE 2.69Å; V528-R575 PolarHBondContact O-NH2 2.83Å
529G92.9Very high94.7Very high51 Ų5134.8 Ų34.853%0.52621%0.212SC..THydrogen-bonded Turntrans-82.6-1.4175.100000115.5V525 A526 C527 R575V525-G529 PolarHBondContact O-N 3Å; A526-G529 CarbonylContact O-C 3.58Å; A526-G529 WeakPolarHBondContact O-CA 3.36Å; A526-G529 PolarHBondContact O-N 2.9Å; C527-G529 PolarHBondContact O-N 3.39Å; G529-R575 PolarHBondContact O-NH2 3.25Å
530D92.6Very high94.8Very high26 Ų2632.5 Ų32.514%0.13919%0.193CC..  trans-65.8145-173.8-161.8-76.8000112.4A526 C527 F532 I535 T536 R575A526-D530 PolarHBondContact O-N 3.43Å; C527-D530 WeakPolarHBondContact O-CB 3.25Å; C527-D530 PolarHBondContact O-N 3.18Å; C527-D530 VanDerWaalsContact O-N 3.11Å; D530-F532 VanDerWaalsContact C-N 3.29Å; D530-F532 PolarHBondContact O-N 2.87Å; D530-F532 WeakPolarHBondContact OD1-CB 3.13Å; D530-F532 PolarHBondContact OD1-N 2.91Å; D530-I535 HydrophobicContact CB-CB 4.16Å; D530-I535 HydrophobicContact CB-CG2 3.73Å; D530-T536 PolarHBondContact O-OG1 2.83Å; D530-R575 PolarHBondContact O-NH2 3.44Å
531P90.4Very high94.9Very high129 Ų12933.1 Ų33.184%0.83820%0.196SC*.SBendtrans-67.1-26.917526.2-36000113.5
532F93.2Very high95Very high74 Ų7433 Ų3333%0.32520%0.195SC..SBendtrans-84122-178.8-170-128.7000111.2I495 D530 K534 I535 T536I495-F532 HydrophobicContact CD1-CE1 4.06Å; D530-F532 VanDerWaalsContact C-N 3.29Å; D530-F532 PolarHBondContact O-N 2.87Å; D530-F532 WeakPolarHBondContact OD1-CB 3.13Å; D530-F532 PolarHBondContact OD1-N 2.91Å; F532-K534 VanDerWaalsContact C-N 3.33Å; F532-K534 HydrophobicContact CD1-CB 4.07Å; F532-K534 HydrophobicContact CE1-CB 3.66Å; F532-K534 HydrophobicContact CE1-CD 4.19Å; F532-K534 HydrophobicContact CE1-CG 4.03Å; F532-K534 HydrophobicContact CZ-CB 4.19Å; F532-K534 HydrophobicContact CZ-CD 4.14Å; F532-K534 HydrophobicContact CZ-CG 4.05Å; F532-K534 PolarHBondContact O-N 3.43Å; F532-I535 HydrophobicContact CB-CD1 4.24Å; F532-I535 HydrophobicContact CD1-CD1 4.1Å; F532-I535 HydrophobicContact CD1-CG1 4.03Å; F532-I535 PolarHBondContact O-N 3.21Å; F532-T536 PolarHBondContact O-N 3.14Å; F532-T536 VanDerWaalsContact O-N 3.15Å; F532-T536 PolarHBondContact O-OG1 3.43Å
533Y93.5Very high95.1Very high84 Ų8429.3 Ų29.333%0.32917%0.172SC..Hα-helixtrans-62.1-35.4-170.280-83.5000113.4T536 S537 D582 V585Y533-T536 WeakPolarHBondContact O-CB 3.47Å; Y533-T536 PolarHBondContact O-N 2.86Å; Y533-S537 WeakPolarHBondContact O-CB 3.16Å; Y533-S537 PolarHBondContact O-N 3.26Å; Y533-D582 HydrophobicContact CD2-CB 3.77Å; Y533-D582 VanDerWaalsContact CD2-CG 3.47Å; Y533-D582 HydrophobicContact CG-CB 3.89Å; Y533-V585 WeakPolarHBondContact O-CG2 3.47Å
534K93.9Very high95.1Very high92 Ų9230.9 Ų30.940%0.418%0.178SC..Hα-helixtrans-65.6-42.1178.6-67.1-165.5175-171.70112.6I495 F532 T536 S537 E538I495-K534 HydrophobicContact CD1-CB 3.74Å; I495-K534 HydrophobicContact CD1-CD 4.26Å; I495-K534 HydrophobicContact CG1-CB 4.36Å; F532-K534 VanDerWaalsContact C-N 3.33Å; F532-K534 HydrophobicContact CD1-CB 4.07Å; F532-K534 HydrophobicContact CE1-CB 3.66Å; F532-K534 HydrophobicContact CE1-CD 4.19Å; F532-K534 HydrophobicContact CE1-CG 4.03Å; F532-K534 HydrophobicContact CZ-CB 4.19Å; F532-K534 HydrophobicContact CZ-CD 4.14Å; F532-K534 HydrophobicContact CZ-CG 4.05Å; F532-K534 PolarHBondContact O-N 3.43Å; K534-T536 VanDerWaalsContact C-N 3.3Å; K534-T536 PolarHBondContact O-N 2.86Å; K534-S537 PolarHBondContact O-N 3Å; K534-E538 WeakPolarHBondContact O-CG 3.19Å; K534-E538 PolarHBondContact O-N 3.37Å
535I94.5Very high95.1Very high2 Ų232.3 Ų32.31%0.0119%0.185CC..Hα-helixtrans-62.4-43.1174.3-67.5167.6000109.6K494 I495 L498 C527 D530 F532 S537 A539K494-I535 HydrophobicContact CB-CD1 4.1Å; K494-I535 HydrophobicContact CB-CG1 4.19Å; K494-I535 HydrophobicContact CD-CD1 4.03Å; I495-I535 HydrophobicContact CG1-CG1 3.97Å; L498-I535 HydrophobicContact CD1-CG2 4.03Å; C527-I535 HydrophobicContact CB-CG2 3.95Å; D530-I535 HydrophobicContact CB-CB 4.16Å; D530-I535 HydrophobicContact CB-CG2 3.73Å; F532-I535 HydrophobicContact CB-CD1 4.24Å; F532-I535 HydrophobicContact CD1-CD1 4.1Å; F532-I535 HydrophobicContact CD1-CG1 4.03Å; F532-I535 PolarHBondContact O-N 3.21Å; I535-S537 PolarHBondContact O-N 3.29Å; I535-A539 WeakPolarHBondContact O-CB 3.26Å; I535-A539 PolarHBondContact O-N 3.31Å
536T95.9Very high95.1Very high2 Ų230.9 Ų30.91%0.01218%0.176CC..Hα-helixtrans-61.7-42.8177-60.30000111.9V528 D530 F532 Y533 K534 A539 L540 R575 V585V528-T536 WeakPolarHBondContact O-CG2 3.08Å; D530-T536 PolarHBondContact O-OG1 2.83Å; F532-T536 PolarHBondContact O-N 3.14Å; F532-T536 VanDerWaalsContact O-N 3.15Å; F532-T536 PolarHBondContact O-OG1 3.43Å; Y533-T536 WeakPolarHBondContact O-CB 3.47Å; Y533-T536 PolarHBondContact O-N 2.86Å; K534-T536 VanDerWaalsContact C-N 3.3Å; K534-T536 PolarHBondContact O-N 2.86Å; T536-A539 PolarHBondContact O-N 3.18Å; T536-L540 HydrophobicContact CG2-CD1 4.01Å; T536-L540 HydrophobicContact CG2-CG 4.46Å; T536-L540 WeakPolarHBondContact O-CB 3.41Å; T536-L540 VanDerWaalsContact O-CG 3.28Å; T536-L540 WeakPolarHBondContact O-CG 3.21Å; T536-L540 PolarHBondContact O-N 2.94Å; T536-R575 HydrophobicContact CG2-CG 4.33Å; T536-R575 PolarHBondContact OG1-NH2 3.11Å; T536-V585 HydrophobicContact CG2-CG1 3.56Å; T536-V585 HydrophobicContact CG2-CG2 4.23Å
537S95.7Very high95.1Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-60.3-52178.8-175.80000111.7Y533 K534 I535 A539 L540 L541 E584 R588Y533-S537 WeakPolarHBondContact O-CB 3.16Å; Y533-S537 PolarHBondContact O-N 3.26Å; K534-S537 PolarHBondContact O-N 3Å; I535-S537 PolarHBondContact O-N 3.29Å; S537-A539 VanDerWaalsContact C-N 3.34Å; S537-A539 PolarHBondContact O-N 2.89Å; S537-L540 PolarHBondContact O-N 3.32Å; S537-L541 PolarHBondContact O-N 2.96Å; S537-L541 VanDerWaalsContact O-N 3.1Å; S537-E584 WeakPolarHBondContact CB-OE1 3.43Å; S537-E584 VanDerWaalsContact OG-CD 3.25Å; S537-E584 WeakPolarHBondContact OG-CG 3.47Å; S537-E584 PolarHBondContact OG-OE1 2.82Å; S537-R588 VanDerWaalsContact OG-CG 3.31Å; S537-R588 WeakPolarHBondContact OG-CG 3.48Å
538E96.2Very high95Very high37 Ų3731.4 Ų31.417%0.17317%0.166CC..Hα-helixtrans-64.1-37.9178-67.2-56.4147.200112.1I495 L498 K534 L540 L541 V542I495-E538 HydrophobicContact CG2-CG 4.27Å; L498-E538 HydrophobicContact CB-CB 3.8Å; L498-E538 HydrophobicContact CD1-CB 3.93Å; K534-E538 WeakPolarHBondContact O-CG 3.19Å; K534-E538 PolarHBondContact O-N 3.37Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.07Å; E538-L541 WeakPolarHBondContact O-CB 3.27Å; E538-L541 PolarHBondContact O-N 3.5Å; E538-V542 WeakPolarHBondContact O-CG2 3.33Å; E538-V542 PolarHBondContact O-N 3.42Å
539A97.3Very high94.9Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-66.7-35.5176.900000112.3L498 C527 V528 I535 T536 S537 V542 T543L498-A539 HydrophobicContact CD1-CB 3.99Å; L498-A539 HydrophobicContact CD2-CB 4.33Å; C527-A539 HydrophobicContact CB-CB 3.65Å; V528-A539 HydrophobicContact CB-CB 4.43Å; V528-A539 HydrophobicContact CG2-CB 3.63Å; I535-A539 WeakPolarHBondContact O-CB 3.26Å; I535-A539 PolarHBondContact O-N 3.31Å; T536-A539 PolarHBondContact O-N 3.18Å; S537-A539 VanDerWaalsContact C-N 3.34Å; S537-A539 PolarHBondContact O-N 2.89Å; A539-V542 PolarHBondContact O-N 2.79Å; A539-T543 WeakPolarHBondContact O-CB 3.07Å; A539-T543 PolarHBondContact O-N 3.37Å; A539-T543 PolarHBondContact O-OG1 3.35Å
540L97.5Very high94.8Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-68-35.1174.4-75.5167.4000112V528 T536 S537 E538 T543 Q544 T572 V585 R588 A589 C592V528-L540 HydrophobicContact CG1-CD2 3.8Å; V528-L540 HydrophobicContact CG1-CG 4.22Å; V528-L540 HydrophobicContact CG2-CD2 4.25Å; V528-L540 HydrophobicContact CG2-CG 4.36Å; T536-L540 HydrophobicContact CG2-CD1 4.01Å; T536-L540 HydrophobicContact CG2-CG 4.46Å; T536-L540 WeakPolarHBondContact O-CB 3.41Å; T536-L540 VanDerWaalsContact O-CG 3.28Å; T536-L540 WeakPolarHBondContact O-CG 3.21Å; T536-L540 PolarHBondContact O-N 2.94Å; S537-L540 PolarHBondContact O-N 3.32Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.07Å; L540-T543 PolarHBondContact O-N 2.78Å; L540-Q544 WeakPolarHBondContact O-CB 3.5Å; L540-Q544 PolarHBondContact O-N 2.93Å; L540-T572 HydrophobicContact CD2-CG2 4.09Å; L540-V585 HydrophobicContact CD1-CG1 3.91Å; L540-R588 HydrophobicContact CB-CB 3.78Å; L540-R588 HydrophobicContact CD1-CB 3.83Å; L540-R588 HydrophobicContact CG-CB 4.47Å; L540-A589 HydrophobicContact CD1-CB 4.08Å; L540-C592 HydrophobicContact CD2-CB 4.25Å; L540-C592 PolarHBondContact O-SG 3.5Å; L540-C592 VanDerWaalsContact O-SG 3.39Å
541L96.5Very high94.8Very high13 Ų1330.8 Ų30.87%0.06815%0.146CC..Hα-helixtrans-62-51.4171.4-94-177.5000112.3Y502 S537 E538 T543 Q544 Q545 R588Y502-L541 HydrophobicContact CD2-CB 4.16Å; Y502-L541 HydrophobicContact CE2-CB 4.42Å; Y502-L541 HydrophobicContact CE2-CD2 4.07Å; S537-L541 PolarHBondContact O-N 2.96Å; S537-L541 VanDerWaalsContact O-N 3.1Å; E538-L541 WeakPolarHBondContact O-CB 3.27Å; E538-L541 PolarHBondContact O-N 3.5Å; L541-T543 VanDerWaalsContact C-N 3.26Å; L541-T543 PolarHBondContact O-N 3.42Å; L541-Q544 WeakPolarHBondContact O-CB 3.4Å; L541-Q544 PolarHBondContact O-N 3.27Å; L541-Q545 PolarHBondContact O-N 3.02Å; L541-Q545 VanDerWaalsContact O-N 3.11Å; L541-R588 VanDerWaalsContact CG-CZ 3.47Å; L541-R588 VanDerWaalsContact CG-NH1 3.28Å
542V97.2Very high94.7Very high1 Ų125.4 Ų25.41%0.00611%0.111CC..Hα-helixtrans-57.2-44.8174.9172.90000109.9L498 L501 L505 V524 E538 A539 Q544 Q545 L546L498-V542 HydrophobicContact CB-CG2 4.23Å; L498-V542 HydrophobicContact CD2-CG2 4.11Å; L498-V542 WeakPolarHBondContact O-CG2 3.38Å; L501-V542 HydrophobicContact CB-CG2 4.47Å; L501-V542 HydrophobicContact CD2-CG1 3.63Å; L501-V542 HydrophobicContact CG-CG1 3.95Å; L501-V542 HydrophobicContact CG-CG2 4.5Å; L505-V542 HydrophobicContact CD1-CG1 3.96Å; V524-V542 HydrophobicContact CG1-CB 4.32Å; V524-V542 HydrophobicContact CG1-CG1 3.94Å; V524-V542 HydrophobicContact CG2-CG1 3.83Å; E538-V542 WeakPolarHBondContact O-CG2 3.33Å; E538-V542 PolarHBondContact O-N 3.42Å; A539-V542 PolarHBondContact O-N 2.79Å; V542-Q544 VanDerWaalsContact C-N 3.34Å; V542-Q544 PolarHBondContact O-N 3.32Å; V542-Q545 PolarHBondContact O-N 2.96Å; V542-L546 VanDerWaalsContact O-CB 3.28Å; V542-L546 WeakPolarHBondContact O-CB 3.49Å; V542-L546 PolarHBondContact O-N 3.44Å
543T97.3Very high94.4Very high0 Ų024.2 Ų24.20%011%0.108CC..Hα-helixtrans-59.6-43.5178-59.40000111.8V524 A539 L540 L541 Q545 L546 V547 L568 C592V524-T543 WeakPolarHBondContact CG1-OG1 3.41Å; A539-T543 WeakPolarHBondContact O-CB 3.07Å; A539-T543 PolarHBondContact O-N 3.37Å; A539-T543 PolarHBondContact O-OG1 3.35Å; L540-T543 PolarHBondContact O-N 2.78Å; L541-T543 VanDerWaalsContact C-N 3.26Å; L541-T543 PolarHBondContact O-N 3.42Å; T543-Q545 VanDerWaalsContact C-N 3.33Å; T543-Q545 PolarHBondContact O-N 3.1Å; T543-L546 PolarHBondContact O-N 2.85Å; T543-V547 VanDerWaalsContact O-CG2 3.29Å; T543-V547 WeakPolarHBondContact O-CG2 3.35Å; T543-V547 PolarHBondContact O-N 3.34Å; T543-L568 HydrophobicContact CG2-CD2 4Å; T543-C592 VanDerWaalsContact CG2-SG 3.58Å
544Q96.4Very high93.8Very high39 Ų3928 Ų2818%0.18213%0.134CC..Hα-helixtrans-59.5-43.7177.6-176.5-178.3-14.700111.6L540 L541 V542 C592 Q595L540-Q544 WeakPolarHBondContact O-CB 3.5Å; L540-Q544 PolarHBondContact O-N 2.93Å; L541-Q544 WeakPolarHBondContact O-CB 3.4Å; L541-Q544 PolarHBondContact O-N 3.27Å; V542-Q544 VanDerWaalsContact C-N 3.34Å; V542-Q544 PolarHBondContact O-N 3.32Å; Q544-C592 HydrophobicContact CB-CB 4.24Å; Q544-Q595 HydrophobicContact CG-CB 3.71Å; Q544-Q595 HydrophobicContact CG-CG 3.9Å
545Q95.6Very high93.2Very high30 Ų3028.3 Ų28.314%0.1414%0.137CC..Hα-helixtrans-72.5-37.6177.5-173.661.213.700111.9Y502 L505 L541 V542 T543 V547 K548 V549Y502-Q545 HydrophobicContact CD2-CB 4.28Å; Y502-Q545 HydrophobicContact CE2-CB 4.37Å; L505-Q545 HydrophobicContact CB-CB 4.41Å; L505-Q545 HydrophobicContact CB-CG 3.57Å; L505-Q545 PolarHBondContact O-NE2 3.46Å; L505-Q545 VanDerWaalsContact O-NE2 3.08Å; L541-Q545 PolarHBondContact O-N 3.02Å; L541-Q545 VanDerWaalsContact O-N 3.11Å; V542-Q545 PolarHBondContact O-N 2.96Å; T543-Q545 VanDerWaalsContact C-N 3.33Å; T543-Q545 PolarHBondContact O-N 3.1Å; Q545-V547 VanDerWaalsContact C-N 3.26Å; Q545-V547 PolarHBondContact O-N 3.48Å; Q545-K548 WeakPolarHBondContact O-CB 3.25Å; Q545-K548 PolarHBondContact O-N 3.1Å; Q545-V549 PolarHBondContact O-N 3.36Å
546L95.2Very high92.3Very high1 Ų134.4 Ų34.41%0.00518%0.177CC..Hα-helixtrans-61.3-34.7177.8-167.761.9000111.9L505 V521 V542 T543 K548 V549 I550L505-L546 HydrophobicContact CD2-CD1 4.49Å; V521-L546 HydrophobicContact CG2-CD2 3.62Å; V521-L546 HydrophobicContact CG2-CG 4.5Å; V542-L546 VanDerWaalsContact O-CB 3.28Å; V542-L546 WeakPolarHBondContact O-CB 3.49Å; V542-L546 PolarHBondContact O-N 3.44Å; T543-L546 PolarHBondContact O-N 2.85Å; L546-K548 VanDerWaalsContact C-N 3.34Å; L546-K548 PolarHBondContact O-N 3.1Å; L546-V549 WeakPolarHBondContact O-CB 3.28Å; L546-V549 PolarHBondContact O-N 2.94Å; L546-V549 VanDerWaalsContact O-N 3.14Å; L546-I550 HydrophobicContact CG-CD1 4.05Å; L546-I550 HydrophobicContact CG-CG1 4.47Å; L546-I550 WeakPolarHBondContact O-CB 3.3Å; L546-I550 VanDerWaalsContact O-CG1 3.27Å; L546-I550 WeakPolarHBondContact O-CG1 3.23Å; L546-I550 PolarHBondContact O-N 3.34Å
547V95.1Very high91.6Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-60.1-41.9172.7167.90000111.9T543 Q545 V549 I550 R551 L568 Q595 I596 N599 L600T543-V547 VanDerWaalsContact O-CG2 3.29Å; T543-V547 WeakPolarHBondContact O-CG2 3.35Å; T543-V547 PolarHBondContact O-N 3.34Å; Q545-V547 VanDerWaalsContact C-N 3.26Å; Q545-V547 PolarHBondContact O-N 3.48Å; V547-V549 VanDerWaalsContact C-N 3.3Å; V547-I550 PolarHBondContact O-N 3.08Å; V547-R551 PolarHBondContact O-N 3.16Å; V547-R551 VanDerWaalsContact O-N 3.08Å; V547-L568 HydrophobicContact CG2-CD1 4.2Å; V547-Q595 HydrophobicContact CB-CG 4.39Å; V547-Q595 HydrophobicContact CG1-CG 4.09Å; V547-I596 HydrophobicContact CG2-CG1 3.62Å; V547-N599 HydrophobicContact CG1-CB 3.67Å; V547-L600 HydrophobicContact CG1-CD1 4.03Å; V547-L600 HydrophobicContact CG1-CG 4.26Å; V547-L600 HydrophobicContact CG2-CD1 4.4Å
548K93.1Very high91Very high77 Ų7742.6 Ų42.634%0.33523%0.234SC..Hα-helixtrans-68-32175.1-60.4-177.9-170.8169.30112Q545 L546 R551 P552 Q595Q545-K548 WeakPolarHBondContact O-CB 3.25Å; Q545-K548 PolarHBondContact O-N 3.1Å; L546-K548 VanDerWaalsContact C-N 3.34Å; L546-K548 PolarHBondContact O-N 3.1Å; K548-R551 CarbonylContact O-C 3.53Å; K548-R551 VanDerWaalsContact O-C 3.3Å; K548-P552 WeakPolarHBondContact O-CA 3.34Å; K548-P552 WeakPolarHBondContact O-CB 3.36Å; K548-P552 WeakPolarHBondContact O-CD 3.38Å; K548-Q595 HydrophobicContact CG-CG 4.06Å
549V92.1Very high90.7Very high1 Ų143 Ų431%0.00624%0.235CC..Hα-helixtrans-71.1-43.4176.21680000111.6L505 P510 F513 H514 Q545 L546 V547L505-V549 HydrophobicContact CD2-CG2 4.12Å; P510-V549 HydrophobicContact CB-CG1 4.39Å; F513-V549 HydrophobicContact CB-CG1 3.7Å; F513-V549 HydrophobicContact CD2-CG1 4.24Å; F513-V549 HydrophobicContact CD2-CG2 4.48Å; F513-V549 HydrophobicContact CG-CG1 4.36Å; H514-V549 PolarHBondContact CD2-O 2.93Å; H514-V549 PolarHBondContact NE2-O 3.45Å; Q545-V549 PolarHBondContact O-N 3.36Å; L546-V549 WeakPolarHBondContact O-CB 3.28Å; L546-V549 PolarHBondContact O-N 2.94Å; L546-V549 VanDerWaalsContact O-N 3.14Å; V547-V549 VanDerWaalsContact C-N 3.3Å
550I92.5Very high90.4Very high1 Ų147.6 Ų47.61%0.00526%0.26CS..Hα-helixtrans-63.8-45179-72.6167.3000110.9V517 V521 L546 V547 F559 A561 L568V517-I550 HydrophobicContact CG1-CD1 3.89Å; V517-I550 HydrophobicContact CG1-CG1 3.77Å; V517-I550 HydrophobicContact CG2-CG1 4.2Å; V521-I550 HydrophobicContact CG2-CD1 4.34Å; L546-I550 HydrophobicContact CG-CD1 4.05Å; L546-I550 HydrophobicContact CG-CG1 4.47Å; L546-I550 WeakPolarHBondContact O-CB 3.3Å; L546-I550 VanDerWaalsContact O-CG1 3.27Å; L546-I550 WeakPolarHBondContact O-CG1 3.23Å; L546-I550 PolarHBondContact O-N 3.34Å; V547-I550 PolarHBondContact O-N 3.08Å; I550-F559 HydrophobicContact CG1-CE1 4.33Å; I550-F559 HydrophobicContact CG2-CD1 4.21Å; I550-F559 HydrophobicContact CG2-CE1 4.07Å; I550-A561 HydrophobicContact CG2-CB 3.34Å; I550-L568 HydrophobicContact CD1-CD1 3.61Å
551R92Very high90Very high64 Ų6448 Ų4824%0.24226%0.263CS..SBendtrans-135.186.3174.5-162.4-160.1-167.1163.41.6111V547 K548 L553 N599 L600 D602V547-R551 PolarHBondContact O-N 3.16Å; V547-R551 VanDerWaalsContact O-N 3.08Å; K548-R551 CarbonylContact O-C 3.53Å; K548-R551 VanDerWaalsContact O-C 3.3Å; R551-L553 PolarHBondContact O-N 3.2Å; R551-N599 WeakPolarHBondContact CD-O 3.43Å; R551-N599 PolarHBondContact NH1-O 3.47Å; R551-N599 PolarHBondContact O-ND2 3.2Å; R551-L600 HydrophobicContact CB-CD2 3.98Å; R551-D602 IonicContact CZ-OD1 2.85Å; R551-D602 IonicContact CZ-OD2 3.57Å; R551-D602 VanDerWaalsContact CZ-OD2 3.3Å; R551-D602 IonicContact NH1-OD1 2.96Å; R551-D602 PolarHBondContact NH1-OD1 3.39Å; R551-D602 IonicContact NH1-OD2 3.43Å; R551-D602 PolarHBondContact NH1-OD2 2.95Å; R551-D602 IonicContact NH2-OD1 3.72Å; R551-D602 IonicContact NH2-OD2 3.49Å; R551-D602 PolarHBondContact NH2-OD2 3.24Å
552P89.1Confident89.7Confident15 Ų1551.5 Ų51.510%0.09729%0.285CS..  trans-66.9134172.427.5-33000108.9P510 K548 Q555P510-P552 HydrophobicContact CB-CG 4.31Å; P510-P552 HydrophobicContact CG-CB 4.24Å; K548-P552 WeakPolarHBondContact O-CA 3.34Å; K548-P552 WeakPolarHBondContact O-CB 3.36Å; K548-P552 WeakPolarHBondContact O-CD 3.38Å; P552-Q555 VanDerWaalsContact O-O 3.13Å
553L86.4Confident89.4Confident50 Ų5055.1 Ų55.126%0.26231%0.309SS..SBendtrans-93.3-20.4-179.7-62.1179.1000112.4R551 N599 P639 L640R551-L553 PolarHBondContact O-N 3.2Å; L553-N599 HydrophobicContact CD1-CB 4.41Å; L553-P639 HydrophobicContact CB-CG 4.14Å; L553-P639 HydrophobicContact CD1-CG 3.96Å; L553-P639 HydrophobicContact CD2-CG 4.35Å; L553-P639 HydrophobicContact CG-CG 4.38Å; L553-L640 HydrophobicContact CD2-CD2 4.4Å; L553-L640 HydrophobicContact CD2-CG 4.44Å
554D81.4Confident89.3Confident162 Ų16256.7 Ų56.787%0.86632%0.315SS*.SBendtrans-84.7-12.8-178.3-50.8-45.7000112.7
555Q79.4Confident89.1Confident99 Ų9955.3 Ų55.346%0.46331%0.309SS..SBendtrans-139.6142.2-178.7-62.1-179.810.100110.4P552 S557P552-Q555 VanDerWaalsContact O-O 3.13Å; Q555-S557 PolarHBondContact O-N 3.33Å
556P77.5Confident88.9Confident131 Ų13161.4 Ų61.485%0.85134%0.335SS*.  trans-62.2130172.924.9-31.3000110.6
557S80.6Confident88.9Confident44 Ų4465.4 Ų65.431%0.30836%0.356SS..  trans-122.3135.9176.5-179.60000110.4H514 Q555 F559H514-S557 PolarHBondContact CE1-OG 3.31Å; Q555-S557 PolarHBondContact O-N 3.33Å; S557-F559 PolarHBondContact OG-N 3.22Å
558S83.3Confident88.9Confident129 Ų12965.5 Ų65.590%0.90236%0.356SS*.  trans-93.70.7173.453.70000113.5
559F89.7Confident89Confident47 Ų4762.4 Ų62.421%0.20634%0.343CS..  trans-72.8131.4-179-175.3-100.7000111.8H514 V517 I550 S557 A561 Y564H514-F559 HydrophobicContact CB-CD2 3.65Å; H514-F559 HydrophobicContact CB-CE2 4Å; H514-F559 HydrophobicContact CB-CG 4.29Å; H514-F559 AromaticContact CD2-CG 3.96Å; H514-F559 AromaticContact CG-CD2 3.76Å; H514-F559 AromaticContact CG-CG 3.89Å; H514-F559 WeakPolarHBondContact O-CE2 3.27Å; V517-F559 HydrophobicContact CB-CE1 4.39Å; V517-F559 HydrophobicContact CB-CZ 3.8Å; V517-F559 HydrophobicContact CG1-CE1 4.17Å; V517-F559 HydrophobicContact CG1-CZ 3.93Å; V517-F559 HydrophobicContact CG2-CE1 4.33Å; V517-F559 HydrophobicContact CG2-CZ 4.01Å; I550-F559 HydrophobicContact CG1-CE1 4.33Å; I550-F559 HydrophobicContact CG2-CD1 4.21Å; I550-F559 HydrophobicContact CG2-CE1 4.07Å; S557-F559 PolarHBondContact OG-N 3.22Å; F559-A561 PolarHBondContact O-N 2.65Å; F559-Y564 HydrophobicContact CE1-CD2 4.03Å; F559-Y564 AromaticContact CE1-CE2 3.59Å; F559-Y564 HydrophobicContact CE1-CE2 3.59Å; F559-Y564 HydrophobicContact CZ-CD2 4.29Å; F559-Y564 AromaticContact CZ-CE2 3.43Å; F559-Y564 HydrophobicContact CZ-CE2 3.43Å; F559-Y564 VanDerWaalsContact CZ-CE2 3.43Å
560D90.7Very high89.1Confident96 Ų9665 Ų6551%0.51336%0.359SS..  trans-78.8106.1176.4-177.415.6000111T562 P563D560-T562 VanDerWaalsContact C-N 3.33Å; D560-T562 WeakPolarHBondContact OD1-CB 3.18Å; D560-T562 PolarHBondContact OD1-N 2.98Å; D560-T562 PolarHBondContact OD1-OG1 3.08Å; D560-P563 WeakPolarHBondContact O-CD 3.38Å
561A89.2Confident89.3Confident9 Ų965.6 Ų65.67%0.07436%0.363CS..  trans-73.1-24.1178.300000113.5I550 F559 Y564 I565 L600I550-A561 HydrophobicContact CG2-CB 3.34Å; F559-A561 PolarHBondContact O-N 2.65Å; A561-Y564 PolarHBondContact O-N 3.23Å; A561-Y564 VanDerWaalsContact O-N 3.11Å; A561-I565 HydrophobicContact CB-CD1 4.36Å; A561-I565 HydrophobicContact CB-CG1 4.49Å; A561-I565 VanDerWaalsContact O-CG1 3.27Å; A561-I565 WeakPolarHBondContact O-CG1 3.43Å; A561-L600 HydrophobicContact CB-CD2 4Å
562T89.6Confident89.5Confident86 Ų8662.6 Ų62.653%0.52835%0.352SS..Hα-helixtrans-50.5-42.4-166.3-46.80000114.7D560 Y564D560-T562 VanDerWaalsContact C-N 3.33Å; D560-T562 WeakPolarHBondContact OD1-CB 3.18Å; D560-T562 PolarHBondContact OD1-N 2.98Å; D560-T562 PolarHBondContact OD1-OG1 3.08Å; T562-Y564 PolarHBondContact O-N 2.92Å
563P92.4Very high89.8Confident77 Ų7762.6 Ų62.650%0.535%0.351SS..Hα-helixtrans-62.4-27.6-177.2-24.135.4000114.3D560D560-P563 WeakPolarHBondContact O-CD 3.38Å
564Y93.5Very high90.2Very high32 Ų3267 Ų6713%0.12537%0.368CS..Hα-helixtrans-98.5-19.3-169.9-46.4-69.9000113.1V517 Q518 V521 F559 A561 T562 K566 D567 L568V517-Y564 HydrophobicContact CG1-CD1 4.16Å; V517-Y564 HydrophobicContact CG1-CD2 3.92Å; V517-Y564 HydrophobicContact CG1-CE1 4.07Å; V517-Y564 HydrophobicContact CG1-CE2 3.82Å; V517-Y564 HydrophobicContact CG1-CG 4.09Å; Q518-Y564 HydrophobicContact CB-CE1 4.17Å; Q518-Y564 HydrophobicContact CG-CE1 4.46Å; V521-Y564 HydrophobicContact CB-CD1 4.34Å; V521-Y564 HydrophobicContact CG1-CD1 4.48Å; V521-Y564 HydrophobicContact CG2-CD1 4.06Å; V521-Y564 HydrophobicContact CG2-CG 4.35Å; F559-Y564 HydrophobicContact CE1-CD2 4.03Å; F559-Y564 AromaticContact CE1-CE2 3.59Å; F559-Y564 HydrophobicContact CE1-CE2 3.59Å; F559-Y564 HydrophobicContact CZ-CD2 4.29Å; F559-Y564 AromaticContact CZ-CE2 3.43Å; F559-Y564 HydrophobicContact CZ-CE2 3.43Å; F559-Y564 VanDerWaalsContact CZ-CE2 3.43Å; A561-Y564 PolarHBondContact O-N 3.23Å; A561-Y564 VanDerWaalsContact O-N 3.11Å; T562-Y564 PolarHBondContact O-N 2.92Å; Y564-K566 VanDerWaalsContact C-N 3.33Å; Y564-K566 PolarHBondContact O-N 3.38Å; Y564-D567 PolarHBondContact O-N 2.98Å; Y564-L568 WeakPolarHBondContact O-CG 3.42Å; Y564-L568 PolarHBondContact O-N 3.01Å; Y564-L568 VanDerWaalsContact O-N 3.15Å
565I92.2Very high90.8Very high10 Ų1061.9 Ų61.95%0.05134%0.336CS..Hα-helixtrans-57.4-46.5-171.3-55.6-174.2000111.3A561 D567 F569 L600 N603 L604A561-I565 HydrophobicContact CB-CD1 4.36Å; A561-I565 HydrophobicContact CB-CG1 4.49Å; A561-I565 VanDerWaalsContact O-CG1 3.27Å; A561-I565 WeakPolarHBondContact O-CG1 3.43Å; I565-D567 PolarHBondContact O-N 3.06Å; I565-F569 WeakPolarHBondContact O-CB 3.32Å; I565-F569 PolarHBondContact O-N 3.21Å; I565-L600 HydrophobicContact CD1-CB 4.44Å; I565-L600 HydrophobicContact CD1-CD2 4.18Å; I565-L600 HydrophobicContact CG1-CD1 4.26Å; I565-L600 HydrophobicContact CG1-CD2 4.36Å; I565-L600 HydrophobicContact CG2-CB 4.39Å; I565-N603 HydrophobicContact CD1-CB 3.56Å; I565-N603 VanDerWaalsContact CD1-ND2 3.25Å; I565-N603 WeakPolarHBondContact CD1-ND2 3.5Å; I565-L604 HydrophobicContact CG2-CD2 3.98Å
566K93Very high91.6Very high158 Ų15857.3 Ų57.369%0.68732%0.315SS*.Hα-helixtrans-62-43-175.6-172-179.6180-177.60112.1Y564 T570Y564-K566 VanDerWaalsContact C-N 3.33Å; Y564-K566 PolarHBondContact O-N 3.38Å; K566-T570 WeakPolarHBondContact O-CB 3.34Å; K566-T570 PolarHBondContact O-N 3.06Å; K566-T570 PolarHBondContact O-OG1 2.9Å
567D93.4Very high92.3Very high86 Ų8657.1 Ų57.146%0.4630%0.301SS..Hα-helixtrans-72.1-46.1-176.6-69.4-14.9000111.1Y564 I565 F569 T570 C571Y564-D567 PolarHBondContact O-N 2.98Å; I565-D567 PolarHBondContact O-N 3.06Å; D567-F569 VanDerWaalsContact C-N 3.34Å; D567-F569 PolarHBondContact O-N 2.93Å; D567-T570 PolarHBondContact O-N 3.23Å; D567-C571 PolarHBondContact O-N 3.2Å; D567-C571 PolarHBondContact O-SG 3.44Å; D567-C571 VanDerWaalsContact O-SG 3.4Å
568L95.2Very high92.9Very high1 Ų156.1 Ų56.11%0.00530%0.296CS..Hα-helixtrans-61.2-41.7176.5-63.8-179000111.9V521 V525 T543 V547 I550 Y564 C571 T572V521-L568 HydrophobicContact CG1-CD2 3.83Å; V521-L568 HydrophobicContact CG1-CG 4.34Å; V521-L568 HydrophobicContact CG2-CD2 4.49Å; V525-L568 HydrophobicContact CG2-CD2 3.92Å; T543-L568 HydrophobicContact CG2-CD2 4Å; V547-L568 HydrophobicContact CG2-CD1 4.2Å; I550-L568 HydrophobicContact CD1-CD1 3.61Å; Y564-L568 WeakPolarHBondContact O-CG 3.42Å; Y564-L568 PolarHBondContact O-N 3.01Å; Y564-L568 VanDerWaalsContact O-N 3.15Å; L568-C571 PolarHBondContact O-SG 3.28Å; L568-T572 WeakPolarHBondContact O-CB 3.38Å; L568-T572 PolarHBondContact O-N 2.83Å; L568-T572 PolarHBondContact O-OG1 3.32Å
569F95.8Very high93Very high13 Ų1353.3 Ų53.36%0.05728%0.28CS..Hα-helixtrans-66.6-48.1175.6178.9-96.8000111.3I565 D567 C571 T572 I573 M593 I596 L604 D607 T611I565-F569 WeakPolarHBondContact O-CB 3.32Å; I565-F569 PolarHBondContact O-N 3.21Å; D567-F569 VanDerWaalsContact C-N 3.34Å; D567-F569 PolarHBondContact O-N 2.93Å; F569-C571 PolarHBondContact O-N 3.21Å; F569-T572 PolarHBondContact O-N 2.97Å; F569-I573 HydrophobicContact CD1-CG2 4.4Å; F569-I573 HydrophobicContact CE1-CB 4.28Å; F569-I573 HydrophobicContact CE1-CG1 4.43Å; F569-I573 HydrophobicContact CE1-CG2 4.18Å; F569-I573 HydrophobicContact CZ-CB 4.28Å; F569-I573 HydrophobicContact CZ-CD1 4.35Å; F569-I573 HydrophobicContact CZ-CG1 4.2Å; F569-I573 WeakPolarHBondContact O-CB 3.3Å; F569-I573 VanDerWaalsContact O-CG2 3.29Å; F569-I573 WeakPolarHBondContact O-CG2 3.41Å; F569-I573 PolarHBondContact O-N 3.36Å; F569-M593 HydrophobicContact CD2-CE 3.84Å; F569-M593 HydrophobicContact CD2-SD 3.69Å; F569-M593 HydrophobicContact CE2-CE 3.88Å; F569-M593 HydrophobicContact CE2-SD 3.68Å; F569-I596 HydrophobicContact CD2-CG2 4.28Å; F569-L604 HydrophobicContact CB-CD2 4.26Å; F569-L604 HydrophobicContact CD2-CD1 4.13Å; F569-L604 HydrophobicContact CD2-CD2 3.6Å; F569-L604 HydrophobicContact CE2-CD1 4.07Å; F569-L604 HydrophobicContact CE2-CD2 4.12Å; F569-L604 HydrophobicContact CG-CD2 3.95Å; F569-D607 HydrophobicContact CE1-CB 3.79Å; F569-D607 HydrophobicContact CZ-CB 3.69Å; F569-T611 HydrophobicContact CE2-CG2 4.39Å; F569-T611 WeakPolarHBondContact CZ-OG1 3.36Å
570T95.3Very high92.9Very high54 Ų5458.2 Ų58.233%0.33131%0.309SS..Hα-helixtrans-65.7-37.8-174.3-60.40000112.6K566 D567 I573 K574K566-T570 WeakPolarHBondContact O-CB 3.34Å; K566-T570 PolarHBondContact O-N 3.06Å; K566-T570 PolarHBondContact O-OG1 2.9Å; D567-T570 PolarHBondContact O-N 3.23Å; T570-I573 WeakPolarHBondContact O-CG2 3.27Å; T570-K574 VanDerWaalsContact O-CG 3.32Å; T570-K574 WeakPolarHBondContact O-CG 3.31Å
571C95.2Very high92.9Very high15 Ų1555.3 Ų55.310%0.10129%0.293CS..Hα-helixtrans-70.7-40.8176.671.90000111.7V525 V528 D567 L568 F569V525-C571 HydrophobicContact CG1-CB 3.87Å; V528-C571 HydrophobicContact CB-CB 4.47Å; V528-C571 HydrophobicContact CG1-CB 4.14Å; D567-C571 PolarHBondContact O-N 3.2Å; D567-C571 PolarHBondContact O-SG 3.44Å; D567-C571 VanDerWaalsContact O-SG 3.4Å; L568-C571 PolarHBondContact O-SG 3.28Å; F569-C571 PolarHBondContact O-N 3.21Å
572T96.1Very high93.2Very high0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-72.1-41.2-177.6-51.20000111.8L540 L568 F569 K574 R575 L576 C592 M593 I596L540-T572 HydrophobicContact CD2-CG2 4.09Å; L568-T572 WeakPolarHBondContact O-CB 3.38Å; L568-T572 PolarHBondContact O-N 2.83Å; L568-T572 PolarHBondContact O-OG1 3.32Å; F569-T572 PolarHBondContact O-N 2.97Å; T572-K574 VanDerWaalsContact C-N 3.29Å; T572-K574 PolarHBondContact O-N 2.82Å; T572-R575 PolarHBondContact O-N 3.5Å; T572-R575 VanDerWaalsContact O-N 3.15Å; T572-L576 PolarHBondContact O-N 3.43Å; T572-C592 HydrophobicContact CG2-CB 4.01Å; T572-M593 HydrophobicContact CG2-CB 4Å; T572-M593 HydrophobicContact CG2-CE 3.82Å; T572-I596 HydrophobicContact CG2-CD1 4.09Å
573I95.9Very high93.3Very high15 Ų1556.4 Ų56.48%0.07729%0.292CS..Hα-helixtrans-65.1-32.2-179.6-16662.8000112.3F569 T570 R575 L576 K577 M593 T611 I614F569-I573 HydrophobicContact CD1-CG2 4.4Å; F569-I573 HydrophobicContact CE1-CB 4.28Å; F569-I573 HydrophobicContact CE1-CG1 4.43Å; F569-I573 HydrophobicContact CE1-CG2 4.18Å; F569-I573 HydrophobicContact CZ-CB 4.28Å; F569-I573 HydrophobicContact CZ-CD1 4.35Å; F569-I573 HydrophobicContact CZ-CG1 4.2Å; F569-I573 WeakPolarHBondContact O-CB 3.3Å; F569-I573 VanDerWaalsContact O-CG2 3.29Å; F569-I573 WeakPolarHBondContact O-CG2 3.41Å; F569-I573 PolarHBondContact O-N 3.36Å; T570-I573 WeakPolarHBondContact O-CG2 3.27Å; I573-R575 VanDerWaalsContact C-N 3.35Å; I573-L576 HydrophobicContact CD1-CD2 4.06Å; I573-L576 PolarHBondContact O-N 3.27Å; I573-K577 HydrophobicContact CG1-CD 4.24Å; I573-K577 HydrophobicContact CG1-CG 4.48Å; I573-K577 WeakPolarHBondContact O-CB 3.42Å; I573-K577 WeakPolarHBondContact O-CG 3.26Å; I573-K577 PolarHBondContact O-N 3.11Å; I573-M593 HydrophobicContact CB-CE 3.68Å; I573-M593 HydrophobicContact CD1-CE 4.01Å; I573-M593 HydrophobicContact CG1-CE 4.43Å; I573-M593 VanDerWaalsContact N-CE 3.33Å; I573-T611 HydrophobicContact CD1-CG2 3.88Å; I573-I614 HydrophobicContact CD1-CD1 3.93Å
574K95Very high93.3Very high144 Ų14456 Ų5663%0.62628%0.284SS*.Hα-helixtrans-61.5-43.5174-75.9174.9-177.4179.20111.1T570 T572 A578T570-K574 VanDerWaalsContact O-CG 3.32Å; T570-K574 WeakPolarHBondContact O-CG 3.31Å; T572-K574 VanDerWaalsContact C-N 3.29Å; T572-K574 PolarHBondContact O-N 2.82Å; K574-A578 PolarHBondContact O-N 3.46Å
575R94.8Very high93.4Very high53 Ų5354.6 Ų54.620%0.228%0.279CS..Hα-helixtrans-71-39.5176.5-61.9-55.2-172.6176.89.2112.2V528 G529 D530 T536 T572 I573 K577 A578 I581 A589V528-R575 HydrophobicContact CG1-CG 4.07Å; V528-R575 VanDerWaalsContact O-CZ 3.25Å; V528-R575 PolarHBondContact O-NE 2.69Å; V528-R575 PolarHBondContact O-NH2 2.83Å; G529-R575 PolarHBondContact O-NH2 3.25Å; D530-R575 PolarHBondContact O-NH2 3.44Å; T536-R575 HydrophobicContact CG2-CG 4.33Å; T536-R575 PolarHBondContact OG1-NH2 3.11Å; T572-R575 PolarHBondContact O-N 3.5Å; T572-R575 VanDerWaalsContact O-N 3.15Å; I573-R575 VanDerWaalsContact C-N 3.35Å; R575-K577 VanDerWaalsContact C-N 3.32Å; R575-K577 PolarHBondContact O-N 3.21Å; R575-A578 PolarHBondContact O-N 2.63Å; R575-I581 WeakPolarHBondContact O-CD1 3.38Å; R575-A589 HydrophobicContact CB-CB 3.99Å
576L94.3Very high93.5Very high4 Ų456.3 Ų56.32%0.02129%0.286CS..Hα-helixtrans-62.5-36.5177.5-177.561.6000113.1T572 I573 A589 I590 M593 T611 I614 F615 R618T572-L576 PolarHBondContact O-N 3.43Å; I573-L576 HydrophobicContact CD1-CD2 4.06Å; I573-L576 PolarHBondContact O-N 3.27Å; L576-A589 HydrophobicContact CB-CB 4.48Å; L576-I590 HydrophobicContact CD1-CB 4.36Å; L576-I590 HydrophobicContact CD1-CG1 3.48Å; L576-I590 VanDerWaalsContact CD1-CG1 3.48Å; L576-M593 HydrophobicContact CD2-CB 3.92Å; L576-M593 HydrophobicContact CD2-CG 3.73Å; L576-T611 HydrophobicContact CD2-CG2 4.37Å; L576-I614 HydrophobicContact CD2-CG2 4.21Å; L576-I614 HydrophobicContact CG-CG2 3.96Å; L576-F615 HydrophobicContact CD2-CE2 3.99Å; L576-F615 HydrophobicContact CD2-CZ 4.45Å; L576-R618 HydrophobicContact CD1-CG 4.38Å; L576-R618 PolarHBondContact O-NE 2.92Å; L576-R618 PolarHBondContact O-NH2 3.29Å
577K93.8Very high93.6Very high126 Ų12652 Ų5255%0.54827%0.268SS..Hα-helixtrans-74.3-30178.1-76.1176.8175.3177.40113.4I573 R575 I614 R618I573-K577 HydrophobicContact CG1-CD 4.24Å; I573-K577 HydrophobicContact CG1-CG 4.48Å; I573-K577 WeakPolarHBondContact O-CB 3.42Å; I573-K577 WeakPolarHBondContact O-CG 3.26Å; I573-K577 PolarHBondContact O-N 3.11Å; R575-K577 VanDerWaalsContact C-N 3.32Å; R575-K577 PolarHBondContact O-N 3.21Å; K577-I614 HydrophobicContact CD-CD1 4.23Å; K577-I614 HydrophobicContact CG-CD1 3.75Å; K577-R618 PolarHBondContact O-NH2 3.12Å
578A91.9Very high93.7Very high24 Ų2451.8 Ų51.820%0.19826%0.261CS..  trans-63.4135.5-177.800000111.9K574 R575 I581K574-A578 PolarHBondContact O-N 3.46Å; R575-A578 PolarHBondContact O-N 2.63Å; A578-I581 HydrophobicContact CB-CD1 4.1Å; A578-I581 HydrophobicContact CB-CG1 4.03Å; A578-I581 HydrophobicContact CB-CG2 3.83Å
579A85.3Confident93.8Very high70 Ų7051.7 Ų51.758%0.57926%0.261SS*.SBendtrans-102.7-26.2-17800000112.7K586A579-K586 WeakPolarHBondContact O-CE 3.41Å; A579-K586 PolarHBondContact O-NZ 3.13Å
580D88.1Confident93.9Very high150 Ų15051.1 Ų51.180%0.80226%0.258SS*.SBendtrans-103.236.7-173.360.8-26.6000112.7
581I91.8Very high93.9Very high34 Ų3450.2 Ų50.217%0.17425%0.254CS..SBendtrans-111.9161.9174.253.5161.1000111.2R575 A578 V585 K586R575-I581 WeakPolarHBondContact O-CD1 3.38Å; A578-I581 HydrophobicContact CB-CD1 4.1Å; A578-I581 HydrophobicContact CB-CG1 4.03Å; A578-I581 HydrophobicContact CB-CG2 3.83Å; I581-V585 HydrophobicContact CD1-CB 4.18Å; I581-V585 HydrophobicContact CD1-CG1 3.77Å; I581-K586 HydrophobicContact CD1-CG 3.72Å; I581-K586 HydrophobicContact CG1-CD 4.38Å; I581-K586 HydrophobicContact CG1-CG 3.66Å; I581-K586 WeakPolarHBondContact O-CE 3.39Å; I581-K586 PolarHBondContact O-NZ 2.89Å
582D93.7Very high94Very high67 Ų6749.5 Ų49.536%0.35825%0.249SC..  trans-54.6145177.2-169.4-86.8000112Y533 E584 V585 K586Y533-D582 HydrophobicContact CD2-CB 3.77Å; Y533-D582 VanDerWaalsContact CD2-CG 3.47Å; Y533-D582 HydrophobicContact CG-CB 3.89Å; D582-E584 VanDerWaalsContact C-N 3.26Å; D582-E584 PolarHBondContact O-N 2.81Å; D582-E584 VanDerWaalsContact OD1-CB 3.23Å; D582-E584 WeakPolarHBondContact OD1-CB 3.17Å; D582-E584 PolarHBondContact OD1-N 3.43Å; D582-V585 HydrophobicContact CB-CG2 4.28Å; D582-V585 PolarHBondContact O-N 3.42Å; D582-K586 PolarHBondContact O-N 3.26Å; D582-K586 VanDerWaalsContact O-N 3.09Å
583Q92Very high94.1Very high51 Ų5149.5 Ų49.524%0.23825%0.249CC..Hα-helixtrans-61.5-36.6-176.3-178.65827.300112V585 K586 E587 I623Q583-V585 VanDerWaalsContact C-N 3.35Å; Q583-V585 PolarHBondContact O-N 2.78Å; Q583-K586 WeakPolarHBondContact O-CB 3.46Å; Q583-K586 PolarHBondContact O-N 3.4Å; Q583-E587 PolarHBondContact NE2-OE1 2.89Å; Q583-E587 PolarHBondContact O-N 3.18Å; Q583-E587 VanDerWaalsContact O-N 3.09Å; Q583-I623 HydrophobicContact CG-CG2 3.97Å
584E93.2Very high94.1Very high68 Ų6848.8 Ų48.832%0.31825%0.245SC..Hα-helixtrans-60.8-46.8177.7-162.8-171.2151.600110.3S537 D582 K586 E587 R588S537-E584 WeakPolarHBondContact CB-OE1 3.43Å; S537-E584 VanDerWaalsContact OG-CD 3.25Å; S537-E584 WeakPolarHBondContact OG-CG 3.47Å; S537-E584 PolarHBondContact OG-OE1 2.82Å; D582-E584 VanDerWaalsContact C-N 3.26Å; D582-E584 PolarHBondContact O-N 2.81Å; D582-E584 VanDerWaalsContact OD1-CB 3.23Å; D582-E584 WeakPolarHBondContact OD1-CB 3.17Å; D582-E584 PolarHBondContact OD1-N 3.43Å; E584-K586 VanDerWaalsContact C-N 3.33Å; E584-K586 PolarHBondContact O-N 3.29Å; E584-E587 PolarHBondContact O-N 3.09Å; E584-R588 VanDerWaalsContact O-CG 3.32Å; E584-R588 WeakPolarHBondContact O-CG 3.46Å; E584-R588 PolarHBondContact O-N 3.48Å
585V95.6Very high94.2Very high3 Ų342.5 Ų42.52%0.01822%0.218CC..Hα-helixtrans-63.6-37.6178.1-178.30000111.5Y533 T536 L540 I581 D582 Q583 A589Y533-V585 WeakPolarHBondContact O-CG2 3.47Å; T536-V585 HydrophobicContact CG2-CG1 3.56Å; T536-V585 HydrophobicContact CG2-CG2 4.23Å; L540-V585 HydrophobicContact CD1-CG1 3.91Å; I581-V585 HydrophobicContact CD1-CB 4.18Å; I581-V585 HydrophobicContact CD1-CG1 3.77Å; D582-V585 HydrophobicContact CB-CG2 4.28Å; D582-V585 PolarHBondContact O-N 3.42Å; Q583-V585 VanDerWaalsContact C-N 3.35Å; Q583-V585 PolarHBondContact O-N 2.78Å; V585-A589 WeakPolarHBondContact O-CB 3.42Å; V585-A589 PolarHBondContact O-N 3.18Å
586K94.5Very high94.3Very high47 Ų4740 Ų4020%0.20421%0.209CC..Hα-helixtrans-60.5-47.7176-70.6173.7174.5151.70111.5A579 I581 D582 Q583 E584 A589 I590 T624A579-K586 WeakPolarHBondContact O-CE 3.41Å; A579-K586 PolarHBondContact O-NZ 3.13Å; I581-K586 HydrophobicContact CD1-CG 3.72Å; I581-K586 HydrophobicContact CG1-CD 4.38Å; I581-K586 HydrophobicContact CG1-CG 3.66Å; I581-K586 WeakPolarHBondContact O-CE 3.39Å; I581-K586 PolarHBondContact O-NZ 2.89Å; D582-K586 PolarHBondContact O-N 3.26Å; D582-K586 VanDerWaalsContact O-N 3.09Å; Q583-K586 WeakPolarHBondContact O-CB 3.46Å; Q583-K586 PolarHBondContact O-N 3.4Å; E584-K586 VanDerWaalsContact C-N 3.33Å; E584-K586 PolarHBondContact O-N 3.29Å; K586-A589 PolarHBondContact O-N 2.96Å; K586-I590 WeakPolarHBondContact O-CD1 3.36Å; K586-I590 VanDerWaalsContact O-CG1 3.27Å; K586-I590 WeakPolarHBondContact O-CG1 3.34Å; K586-I590 PolarHBondContact O-N 3.39Å; K586-T624 HydrophobicContact CB-CG2 4.27Å
587E94.8Very high94.3Very high68 Ų6839.8 Ų39.832%0.31821%0.208SC..Hα-helixtrans-67.9-41.7-178.7-69.9178.6-166.900112.1Q583 E584 I590 S591 T627Q583-E587 PolarHBondContact NE2-OE1 2.89Å; Q583-E587 PolarHBondContact O-N 3.18Å; Q583-E587 VanDerWaalsContact O-N 3.09Å; E584-E587 PolarHBondContact O-N 3.09Å; E587-I590 PolarHBondContact O-N 3.22Å; E587-S591 PolarHBondContact O-N 3.43Å; E587-S591 PolarHBondContact O-OG 3.48Å; E587-T627 HydrophobicContact CB-CG2 4.1Å; E587-T627 HydrophobicContact CG-CG2 4.44Å; E587-T627 WeakPolarHBondContact O-CG2 3.24Å
588R95.6Very high94.4Very high80 Ų8034.1 Ų34.130%0.30218%0.184SC..Hα-helixtrans-62.1-41.8173-64.9-54.8-172.5176.50.4111.8S537 L540 L541 E584 I590 S591 C592S537-R588 VanDerWaalsContact OG-CG 3.31Å; S537-R588 WeakPolarHBondContact OG-CG 3.48Å; L540-R588 HydrophobicContact CB-CB 3.78Å; L540-R588 HydrophobicContact CD1-CB 3.83Å; L540-R588 HydrophobicContact CG-CB 4.47Å; L541-R588 VanDerWaalsContact CG-CZ 3.47Å; L541-R588 VanDerWaalsContact CG-NH1 3.28Å; E584-R588 VanDerWaalsContact O-CG 3.32Å; E584-R588 WeakPolarHBondContact O-CG 3.46Å; E584-R588 PolarHBondContact O-N 3.48Å; R588-I590 PolarHBondContact O-N 3.34Å; R588-S591 PolarHBondContact O-N 2.97Å; R588-C592 WeakPolarHBondContact O-CB 3.38Å; R588-C592 PolarHBondContact O-N 2.98Å
589A97.1Very high94.5Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-65.4-39.1179.500000112.1L540 R575 L576 V585 K586 M593L540-A589 HydrophobicContact CD1-CB 4.08Å; R575-A589 HydrophobicContact CB-CB 3.99Å; L576-A589 HydrophobicContact CB-CB 4.48Å; V585-A589 WeakPolarHBondContact O-CB 3.42Å; V585-A589 PolarHBondContact O-N 3.18Å; K586-A589 PolarHBondContact O-N 2.96Å; A589-M593 VanDerWaalsContact O-CB 3.27Å; A589-M593 WeakPolarHBondContact O-CB 3.49Å; A589-M593 PolarHBondContact O-N 3.09Å
590I97.1Very high94.9Very high1 Ų129.9 Ų29.91%0.00515%0.148CC..Hα-helixtrans-64.1-47.3174.9-68.9164.8000110.7L576 K586 E587 R588 G594 F615 R618 T624 T627 A631L576-I590 HydrophobicContact CD1-CB 4.36Å; L576-I590 HydrophobicContact CD1-CG1 3.48Å; L576-I590 VanDerWaalsContact CD1-CG1 3.48Å; K586-I590 WeakPolarHBondContact O-CD1 3.36Å; K586-I590 VanDerWaalsContact O-CG1 3.27Å; K586-I590 WeakPolarHBondContact O-CG1 3.34Å; K586-I590 PolarHBondContact O-N 3.39Å; E587-I590 PolarHBondContact O-N 3.22Å; R588-I590 PolarHBondContact O-N 3.34Å; I590-G594 PolarHBondContact O-N 3.17Å; I590-F615 HydrophobicContact CG2-CD1 4.49Å; I590-F615 HydrophobicContact CG2-CE1 3.87Å; I590-R618 HydrophobicContact CD1-CB 4.2Å; I590-R618 HydrophobicContact CD1-CG 4.25Å; I590-R618 HydrophobicContact CG1-CG 4.46Å; I590-T624 HydrophobicContact CD1-CG2 3.72Å; I590-T627 HydrophobicContact CB-CG2 4.13Å; I590-T627 HydrophobicContact CG2-CG2 3.98Å; I590-A631 HydrophobicContact CG2-CB 3.99Å
591S97.1Very high95Very high34 Ų3422.9 Ų22.924%0.23811%0.111CC..Hα-helixtrans-66.1-44.7-179.1-55.80000111.7E587 R588 G594 Q595 T627E587-S591 PolarHBondContact O-N 3.43Å; E587-S591 PolarHBondContact O-OG 3.48Å; R588-S591 PolarHBondContact O-N 2.97Å; S591-G594 PolarHBondContact O-N 2.89Å; S591-Q595 PolarHBondContact O-N 3.36Å; S591-T627 VanDerWaalsContact OG-CG2 3.23Å; S591-T627 WeakPolarHBondContact OG-CG2 3.33Å
592C97.3Very high94.9Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-62.6-48.2177.4-170.70000111.3L540 T543 Q544 T572 R588 G594 Q595 I596L540-C592 HydrophobicContact CD2-CB 4.25Å; L540-C592 PolarHBondContact O-SG 3.5Å; L540-C592 VanDerWaalsContact O-SG 3.39Å; T543-C592 VanDerWaalsContact CG2-SG 3.58Å; Q544-C592 HydrophobicContact CB-CB 4.24Å; T572-C592 HydrophobicContact CG2-CB 4.01Å; R588-C592 WeakPolarHBondContact O-CB 3.38Å; R588-C592 PolarHBondContact O-N 2.98Å; C592-G594 VanDerWaalsContact C-N 3.3Å; C592-G594 PolarHBondContact O-N 2.74Å; C592-Q595 WeakPolarHBondContact O-CB 3.45Å; C592-Q595 PolarHBondContact O-N 3.24Å; C592-Q595 VanDerWaalsContact O-N 3.14Å; C592-I596 WeakPolarHBondContact O-CG1 3.34Å; C592-I596 PolarHBondContact O-N 2.93Å
593M97.5Very high94.7Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-64.2-36.2175.6-173.160.370.200111.9F569 T572 I573 L576 A589 Q595 I596 I597 T611 F615F569-M593 HydrophobicContact CD2-CE 3.84Å; F569-M593 HydrophobicContact CD2-SD 3.69Å; F569-M593 HydrophobicContact CE2-CE 3.88Å; F569-M593 HydrophobicContact CE2-SD 3.68Å; T572-M593 HydrophobicContact CG2-CB 4Å; T572-M593 HydrophobicContact CG2-CE 3.82Å; I573-M593 HydrophobicContact CB-CE 3.68Å; I573-M593 HydrophobicContact CD1-CE 4.01Å; I573-M593 HydrophobicContact CG1-CE 4.43Å; I573-M593 VanDerWaalsContact N-CE 3.33Å; L576-M593 HydrophobicContact CD2-CB 3.92Å; L576-M593 HydrophobicContact CD2-CG 3.73Å; A589-M593 VanDerWaalsContact O-CB 3.27Å; A589-M593 WeakPolarHBondContact O-CB 3.49Å; A589-M593 PolarHBondContact O-N 3.09Å; M593-Q595 VanDerWaalsContact C-N 3.29Å; M593-Q595 PolarHBondContact O-N 3.17Å; M593-I596 PolarHBondContact O-N 3.48Å; M593-I596 HydrophobicContact SD-CB 4.21Å; M593-I596 HydrophobicContact SD-CD1 4.37Å; M593-I596 HydrophobicContact SD-CG2 4.27Å; M593-I597 HydrophobicContact CG-CD1 4.08Å; M593-I597 HydrophobicContact CG-CG1 4.43Å; M593-I597 WeakPolarHBondContact O-CG1 3.26Å; M593-I597 PolarHBondContact O-N 3.2Å; M593-I597 HydrophobicContact SD-CG1 4.39Å; M593-T611 HydrophobicContact CG-CG2 3.87Å; M593-T611 HydrophobicContact SD-CG2 4.12Å; M593-F615 HydrophobicContact CB-CE2 4.19Å; M593-F615 HydrophobicContact CB-CZ 3.94Å; M593-F615 HydrophobicContact CG-CE2 3.66Å; M593-F615 HydrophobicContact CG-CZ 3.92Å
594G96.5Very high94.6Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-57.9-42.217300000112.3I590 S591 C592 C598 I635I590-G594 PolarHBondContact O-N 3.17Å; S591-G594 PolarHBondContact O-N 2.89Å; C592-G594 VanDerWaalsContact C-N 3.3Å; C592-G594 PolarHBondContact O-N 2.74Å; G594-C598 WeakPolarHBondContact O-CB 3.46Å; G594-C598 PolarHBondContact O-N 2.65Å; G594-I635 WeakPolarHBondContact O-CG1 3.27Å
595Q96.2Very high94.3Very high13 Ų1323 Ų236%0.06113%0.129CC..Hα-helixtrans-68.9-41.2175.1-165.272.362.700112.7Q544 V547 K548 S591 C592 M593 I597 C598 N599 L634Q544-Q595 HydrophobicContact CG-CB 3.71Å; Q544-Q595 HydrophobicContact CG-CG 3.9Å; V547-Q595 HydrophobicContact CB-CG 4.39Å; V547-Q595 HydrophobicContact CG1-CG 4.09Å; K548-Q595 HydrophobicContact CG-CG 4.06Å; S591-Q595 PolarHBondContact O-N 3.36Å; C592-Q595 WeakPolarHBondContact O-CB 3.45Å; C592-Q595 PolarHBondContact O-N 3.24Å; C592-Q595 VanDerWaalsContact O-N 3.14Å; M593-Q595 VanDerWaalsContact C-N 3.29Å; M593-Q595 PolarHBondContact O-N 3.17Å; Q595-I597 VanDerWaalsContact C-N 3.34Å; Q595-I597 PolarHBondContact O-N 2.96Å; Q595-C598 PolarHBondContact O-N 3.26Å; Q595-N599 PolarHBondContact NE2-OD1 3.46Å; Q595-N599 PolarHBondContact O-N 3.02Å; Q595-N599 PolarHBondContact O-OD1 3.18Å; Q595-L634 HydrophobicContact CB-CD2 4.43Å
596I96.4Very high94Very high0 Ų027.5 Ų27.50%016%0.16CC..Hα-helixtrans-57.2-48.4174.6-69.3169.5000110V547 F569 T572 C592 M593 C598 N599 L600V547-I596 HydrophobicContact CG2-CG1 3.62Å; F569-I596 HydrophobicContact CD2-CG2 4.28Å; T572-I596 HydrophobicContact CG2-CD1 4.09Å; C592-I596 WeakPolarHBondContact O-CG1 3.34Å; C592-I596 PolarHBondContact O-N 2.93Å; M593-I596 PolarHBondContact O-N 3.48Å; M593-I596 HydrophobicContact SD-CB 4.21Å; M593-I596 HydrophobicContact SD-CD1 4.37Å; M593-I596 HydrophobicContact SD-CG2 4.27Å; I596-C598 PolarHBondContact O-N 3.49Å; I596-N599 PolarHBondContact O-N 2.92Å; I596-L600 HydrophobicContact CG2-CD1 4.49Å; I596-L600 CarbonylContact O-C 3.27Å; I596-L600 WeakPolarHBondContact O-CA 3.32Å; I596-L600 VanDerWaalsContact O-CB 3.28Å; I596-L600 WeakPolarHBondContact O-CB 3.3Å; I596-L600 PolarHBondContact O-N 2.93Å
597I95.8Very high93.8Very high0 Ų028.9 Ų28.90%017%0.17CC..Hα-helixtrans-66-40.2178.6-63.6168.7000110.9M593 Q595 N599 G601 L604 L608 T611 L612 F615 I635 I642M593-I597 HydrophobicContact CG-CD1 4.08Å; M593-I597 HydrophobicContact CG-CG1 4.43Å; M593-I597 WeakPolarHBondContact O-CG1 3.26Å; M593-I597 PolarHBondContact O-N 3.2Å; M593-I597 HydrophobicContact SD-CG1 4.39Å; Q595-I597 VanDerWaalsContact C-N 3.34Å; Q595-I597 PolarHBondContact O-N 2.96Å; I597-N599 PolarHBondContact O-N 3.03Å; I597-G601 WeakPolarHBondContact O-CA 3.47Å; I597-G601 PolarHBondContact O-N 3.23Å; I597-L604 HydrophobicContact CG1-CD1 3.93Å; I597-L608 HydrophobicContact CG1-CD1 4.4Å; I597-L608 HydrophobicContact CG2-CD1 3.76Å; I597-T611 HydrophobicContact CD1-CG2 3.86Å; I597-L612 HydrophobicContact CD1-CD2 4.44Å; I597-F615 HydrophobicContact CD1-CD2 4.24Å; I597-F615 HydrophobicContact CD1-CE2 3.61Å; I597-F615 HydrophobicContact CD1-CZ 4.3Å; I597-I635 HydrophobicContact CB-CD1 3.99Å; I597-I635 HydrophobicContact CB-CG1 3.92Å; I597-I635 HydrophobicContact CD1-CD1 3.91Å; I597-I635 HydrophobicContact CG2-CB 4.35Å; I597-I635 HydrophobicContact CG2-CD1 3.96Å; I597-I635 HydrophobicContact CG2-CG1 3.81Å; I597-I635 HydrophobicContact CG2-CG2 3.58Å; I597-I642 HydrophobicContact CG2-CG1 4.37Å; I597-I642 HydrophobicContact CG2-CG2 3.85Å
598C95Very high93.7Very high6 Ų626.6 Ų26.64%0.04116%0.16CC..Hα-helixtrans-60.8-42.9178.8-175.40000112.9G594 Q595 I596 L634 S638 L640G594-C598 WeakPolarHBondContact O-CB 3.46Å; G594-C598 PolarHBondContact O-N 2.65Å; Q595-C598 PolarHBondContact O-N 3.26Å; I596-C598 PolarHBondContact O-N 3.49Å; C598-L634 HydrophobicContact CB-CD2 4.12Å; C598-L634 HydrophobicContact CB-CG 3.86Å; C598-S638 PolarHBondContact O-OG 3.21Å; C598-L640 WeakPolarHBondContact O-CD1 3.37Å
599N94Very high93.5Very high4 Ų425.5 Ų25.52%0.02116%0.163CC..Hα-helixtrans-97.7-24.2-174.5-67.752.2000113.9V547 R551 L553 Q595 I596 I597 L640V547-N599 HydrophobicContact CG1-CB 3.67Å; R551-N599 WeakPolarHBondContact CD-O 3.43Å; R551-N599 PolarHBondContact NH1-O 3.47Å; R551-N599 PolarHBondContact O-ND2 3.2Å; L553-N599 HydrophobicContact CD1-CB 4.41Å; Q595-N599 PolarHBondContact NE2-OD1 3.46Å; Q595-N599 PolarHBondContact O-N 3.02Å; Q595-N599 PolarHBondContact O-OD1 3.18Å; I596-N599 PolarHBondContact O-N 2.92Å; I597-N599 PolarHBondContact O-N 3.03Å; N599-L640 WeakPolarHBondContact O-CD1 3.43Å
600L93.2Very high93.3Very high1 Ų130.6 Ų30.61%0.00519%0.191CC..Hα-helixtrans-130.67-170.4-53.3171.5000112.7V547 R551 A561 I565 I596 D602 N603V547-L600 HydrophobicContact CG1-CD1 4.03Å; V547-L600 HydrophobicContact CG1-CG 4.26Å; V547-L600 HydrophobicContact CG2-CD1 4.4Å; R551-L600 HydrophobicContact CB-CD2 3.98Å; A561-L600 HydrophobicContact CB-CD2 4Å; I565-L600 HydrophobicContact CD1-CB 4.44Å; I565-L600 HydrophobicContact CD1-CD2 4.18Å; I565-L600 HydrophobicContact CG1-CD1 4.26Å; I565-L600 HydrophobicContact CG1-CD2 4.36Å; I565-L600 HydrophobicContact CG2-CB 4.39Å; I596-L600 HydrophobicContact CG2-CD1 4.49Å; I596-L600 CarbonylContact O-C 3.27Å; I596-L600 WeakPolarHBondContact O-CA 3.32Å; I596-L600 VanDerWaalsContact O-CB 3.28Å; I596-L600 WeakPolarHBondContact O-CB 3.3Å; I596-L600 PolarHBondContact O-N 2.93Å; L600-D602 VanDerWaalsContact C-N 3.26Å; L600-D602 PolarHBondContact O-N 3.05Å; L600-N603 PolarHBondContact O-N 3.16Å
601G89.8Confident93.2Very high3 Ų330.8 Ų30.83%0.03119%0.192CC..G310 helixtrans-63.8-25.6-172.400000115.1I597 N603 L604I597-G601 WeakPolarHBondContact O-CA 3.47Å; I597-G601 PolarHBondContact O-N 3.23Å; G601-N603 PolarHBondContact O-N 3.22Å; G601-L604 PolarHBondContact O-N 3.41Å
602D90.4Very high93Very high75 Ų7529.2 Ų29.240%0.40118%0.18SC..G310 helixtrans-64.1-23.5173.156.2-23.1000113.2R551 L600R551-D602 IonicContact CZ-OD1 2.85Å; R551-D602 IonicContact CZ-OD2 3.57Å; R551-D602 VanDerWaalsContact CZ-OD2 3.3Å; R551-D602 IonicContact NH1-OD1 2.96Å; R551-D602 PolarHBondContact NH1-OD1 3.39Å; R551-D602 IonicContact NH1-OD2 3.43Å; R551-D602 PolarHBondContact NH1-OD2 2.95Å; R551-D602 IonicContact NH2-OD1 3.72Å; R551-D602 IonicContact NH2-OD2 3.49Å; R551-D602 PolarHBondContact NH2-OD2 3.24Å; L600-D602 VanDerWaalsContact C-N 3.26Å; L600-D602 PolarHBondContact O-N 3.05Å
603N89.5Confident92.9Very high82 Ų8233.1 Ų33.144%0.43920%0.199SC..G310 helixtrans-101-0-179.7-69.5-11.3000113.9I565 L600 G601I565-N603 HydrophobicContact CD1-CB 3.56Å; I565-N603 VanDerWaalsContact CD1-ND2 3.25Å; I565-N603 WeakPolarHBondContact CD1-ND2 3.5Å; L600-N603 PolarHBondContact O-N 3.16Å; G601-N603 PolarHBondContact O-N 3.22Å
604L89.2Confident92.8Very high11 Ų1134 Ų346%0.05820%0.203CC..  trans-80.9-16.8-179.1-64.2-178.6000113.7I565 F569 I597 G601 S606 D607 L608I565-L604 HydrophobicContact CG2-CD2 3.98Å; F569-L604 HydrophobicContact CB-CD2 4.26Å; F569-L604 HydrophobicContact CD2-CD1 4.13Å; F569-L604 HydrophobicContact CD2-CD2 3.6Å; F569-L604 HydrophobicContact CE2-CD1 4.07Å; F569-L604 HydrophobicContact CE2-CD2 4.12Å; F569-L604 HydrophobicContact CG-CD2 3.95Å; I597-L604 HydrophobicContact CG1-CD1 3.93Å; G601-L604 PolarHBondContact O-N 3.41Å; L604-S606 PolarHBondContact O-N 3.2Å; L604-D607 PolarHBondContact O-N 2.65Å; L604-L608 HydrophobicContact CB-CB 4.16Å; L604-L608 HydrophobicContact CD1-CD1 4.5Å
605G88Confident92.7Very high55 Ų5534 Ų3457%0.56720%0.203SC*.THydrogen-bonded Turntrans52.2-121.3176.200000113.5D607 L608G605-D607 VanDerWaalsContact C-N 3.26Å; G605-D607 PolarHBondContact O-N 3.25Å; G605-L608 PolarHBondContact O-N 3.1Å
606S88.8Confident92.6Very high97 Ų9733.8 Ų33.868%0.67820%0.203SC*.THydrogen-bonded Turntrans-70.6-14.8-177.8540000114.9L604L604-S606 PolarHBondContact O-N 3.2Å
607D91.4Very high92.5Very high76 Ų7639.4 Ų39.441%0.40623%0.229SC..Hα-helixtrans-79.8-21-179.3-69.9-37.3000112.6F569 L604 G605 T611F569-D607 HydrophobicContact CE1-CB 3.79Å; F569-D607 HydrophobicContact CZ-CB 3.69Å; L604-D607 PolarHBondContact O-N 2.65Å; G605-D607 VanDerWaalsContact C-N 3.26Å; G605-D607 PolarHBondContact O-N 3.25Å; D607-T611 WeakPolarHBondContact O-CB 3.27Å; D607-T611 PolarHBondContact O-N 3.25Å; D607-T611 PolarHBondContact O-OG1 3.27Å
608L92.1Very high92.4Very high20 Ų2041 Ų4111%0.10524%0.235CC..Hα-helixtrans-62.1-53.7-177.3174.868000112.8I597 L604 G605 N610 T611 L612 I642I597-L608 HydrophobicContact CG1-CD1 4.4Å; I597-L608 HydrophobicContact CG2-CD1 3.76Å; L604-L608 HydrophobicContact CB-CB 4.16Å; L604-L608 HydrophobicContact CD1-CD1 4.5Å; G605-L608 PolarHBondContact O-N 3.1Å; L608-N610 VanDerWaalsContact C-N 3.33Å; L608-N610 PolarHBondContact O-N 2.99Å; L608-T611 PolarHBondContact O-N 2.88Å; L608-T611 VanDerWaalsContact O-N 3.08Å; L608-L612 HydrophobicContact CD1-CD1 4.06Å; L608-L612 HydrophobicContact CD1-CD2 4.32Å; L608-L612 HydrophobicContact CD1-CG 3.99Å; L608-L612 HydrophobicContact CG-CD1 4.07Å; L608-L612 HydrophobicContact CG-CG 4.37Å; L608-L612 WeakPolarHBondContact O-CG 3.38Å; L608-L612 PolarHBondContact O-N 2.8Å; L608-I642 HydrophobicContact CD1-CG2 3.9Å; L608-I642 HydrophobicContact CD2-CG2 3.73Å; L608-I642 HydrophobicContact CG-CG2 4.41Å
609P91.5Very high92.3Very high57 Ų5740.8 Ų40.837%0.3723%0.233SC..Hα-helixtrans-59.9-41.2-177.8-24.535.2000113.1T611 L612 Q613P609-T611 VanDerWaalsContact C-N 3.3Å; P609-T611 PolarHBondContact O-N 3.32Å; P609-L612 PolarHBondContact O-N 3.19Å; P609-Q613 WeakPolarHBondContact O-CG 3.44Å; P609-Q613 PolarHBondContact O-N 3.17Å; P609-Q613 VanDerWaalsContact O-N 3.1Å
610N92.4Very high92.3Very high108 Ų10845.8 Ų45.858%0.57826%0.255SS*.Hα-helixtrans-64.5-37.4177.5-69.9-27.8000111.6L608 Q613 I614L608-N610 VanDerWaalsContact C-N 3.33Å; L608-N610 PolarHBondContact O-N 2.99Å; N610-Q613 PolarHBondContact O-N 3.37Å; N610-I614 WeakPolarHBondContact O-CG1 3.47Å; N610-I614 PolarHBondContact O-N 2.98Å
611T94.6Very high92.3Very high4 Ų448.8 Ų48.83%0.02527%0.271CS..Hα-helixtrans-69.6-42177.6-54.50000111.3F569 I573 L576 M593 I597 D607 L608 P609 Q613 I614 F615F569-T611 HydrophobicContact CE2-CG2 4.39Å; F569-T611 WeakPolarHBondContact CZ-OG1 3.36Å; I573-T611 HydrophobicContact CD1-CG2 3.88Å; L576-T611 HydrophobicContact CD2-CG2 4.37Å; M593-T611 HydrophobicContact CG-CG2 3.87Å; M593-T611 HydrophobicContact SD-CG2 4.12Å; I597-T611 HydrophobicContact CD1-CG2 3.86Å; D607-T611 WeakPolarHBondContact O-CB 3.27Å; D607-T611 PolarHBondContact O-N 3.25Å; D607-T611 PolarHBondContact O-OG1 3.27Å; L608-T611 PolarHBondContact O-N 2.88Å; L608-T611 VanDerWaalsContact O-N 3.08Å; P609-T611 VanDerWaalsContact C-N 3.3Å; P609-T611 PolarHBondContact O-N 3.32Å; T611-Q613 VanDerWaalsContact C-N 3.27Å; T611-Q613 PolarHBondContact O-N 3.16Å; T611-I614 WeakPolarHBondContact O-CB 3.35Å; T611-I614 PolarHBondContact O-N 2.73Å; T611-F615 HydrophobicContact CG2-CD2 4.23Å; T611-F615 HydrophobicContact CG2-CE2 4.01Å; T611-F615 WeakPolarHBondContact O-CD2 3.41Å; T611-F615 PolarHBondContact O-N 3.31Å; T611-F615 VanDerWaalsContact O-N 3.09Å
612L94.3Very high92.3Very high1 Ų155 Ų551%0.00530%0.299CS..Hα-helixtrans-61.2-35.3176.1-67.4177.1000112.3I597 L608 P609 I614 F615 L616 D643 L644 V647I597-L612 HydrophobicContact CD1-CD2 4.44Å; L608-L612 HydrophobicContact CD1-CD1 4.06Å; L608-L612 HydrophobicContact CD1-CD2 4.32Å; L608-L612 HydrophobicContact CD1-CG 3.99Å; L608-L612 HydrophobicContact CG-CD1 4.07Å; L608-L612 HydrophobicContact CG-CG 4.37Å; L608-L612 WeakPolarHBondContact O-CG 3.38Å; L608-L612 PolarHBondContact O-N 2.8Å; P609-L612 PolarHBondContact O-N 3.19Å; L612-I614 VanDerWaalsContact C-N 3.3Å; L612-I614 PolarHBondContact O-N 2.71Å; L612-F615 WeakPolarHBondContact O-CB 3.41Å; L612-F615 PolarHBondContact O-N 3.12Å; L612-L616 PolarHBondContact O-N 2.96Å; L612-D643 WeakPolarHBondContact CD1-O 3.2Å; L612-L644 HydrophobicContact CD1-CD2 3.91Å; L612-L644 HydrophobicContact CD2-CD2 3.62Å; L612-L644 HydrophobicContact CG-CD2 4.43Å; L612-V647 HydrophobicContact CB-CG1 3.84Å; L612-V647 HydrophobicContact CB-CG2 4.28Å
613Q94.2Very high92.3Very high83 Ų8356.6 Ų56.639%0.38831%0.306SS..Hα-helixtrans-64-35.2173.2-69.1-64.89.300112.6P609 N610 T611 L616 E617 V647P609-Q613 WeakPolarHBondContact O-CG 3.44Å; P609-Q613 PolarHBondContact O-N 3.17Å; P609-Q613 VanDerWaalsContact O-N 3.1Å; N610-Q613 PolarHBondContact O-N 3.37Å; T611-Q613 VanDerWaalsContact C-N 3.27Å; T611-Q613 PolarHBondContact O-N 3.16Å; Q613-L616 WeakPolarHBondContact O-CB 3.31Å; Q613-L616 PolarHBondContact O-N 2.93Å; Q613-E617 PolarHBondContact O-N 3.44Å; Q613-V647 HydrophobicContact CG-CG1 4.48Å
614I94.6Very high92.5Very high18 Ų1852.7 Ų52.79%0.09229%0.286CS..Hα-helixtrans-66.7-39.2173.4-60.1162.2000110.6I573 L576 K577 N610 T611 L612 L616 E617 R618I573-I614 HydrophobicContact CD1-CD1 3.93Å; L576-I614 HydrophobicContact CD2-CG2 4.21Å; L576-I614 HydrophobicContact CG-CG2 3.96Å; K577-I614 HydrophobicContact CD-CD1 4.23Å; K577-I614 HydrophobicContact CG-CD1 3.75Å; N610-I614 WeakPolarHBondContact O-CG1 3.47Å; N610-I614 PolarHBondContact O-N 2.98Å; T611-I614 WeakPolarHBondContact O-CB 3.35Å; T611-I614 PolarHBondContact O-N 2.73Å; L612-I614 VanDerWaalsContact C-N 3.3Å; L612-I614 PolarHBondContact O-N 2.71Å; I614-L616 VanDerWaalsContact C-N 3.27Å; I614-L616 PolarHBondContact O-N 2.83Å; I614-E617 WeakPolarHBondContact O-CB 3.33Å; I614-E617 PolarHBondContact O-N 3.24Å; I614-R618 HydrophobicContact CG2-CG 4.36Å; I614-R618 WeakPolarHBondContact O-CG 3.03Å; I614-R618 PolarHBondContact O-N 3.03Å
615F95.6Very high92.8Very high0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-59-39.9171.7-84.7-92.1000111.5L576 I590 M593 I597 T611 L612 E617 R618 L619 T628 A631 L632 I635L576-F615 HydrophobicContact CD2-CE2 3.99Å; L576-F615 HydrophobicContact CD2-CZ 4.45Å; I590-F615 HydrophobicContact CG2-CD1 4.49Å; I590-F615 HydrophobicContact CG2-CE1 3.87Å; M593-F615 HydrophobicContact CB-CE2 4.19Å; M593-F615 HydrophobicContact CB-CZ 3.94Å; M593-F615 HydrophobicContact CG-CE2 3.66Å; M593-F615 HydrophobicContact CG-CZ 3.92Å; I597-F615 HydrophobicContact CD1-CD2 4.24Å; I597-F615 HydrophobicContact CD1-CE2 3.61Å; I597-F615 HydrophobicContact CD1-CZ 4.3Å; T611-F615 HydrophobicContact CG2-CD2 4.23Å; T611-F615 HydrophobicContact CG2-CE2 4.01Å; T611-F615 WeakPolarHBondContact O-CD2 3.41Å; T611-F615 PolarHBondContact O-N 3.31Å; T611-F615 VanDerWaalsContact O-N 3.09Å; L612-F615 WeakPolarHBondContact O-CB 3.41Å; L612-F615 PolarHBondContact O-N 3.12Å; F615-E617 VanDerWaalsContact C-N 3.33Å; F615-E617 PolarHBondContact O-N 3.06Å; F615-R618 PolarHBondContact O-N 2.95Å; F615-L619 WeakPolarHBondContact O-CB 3.44Å; F615-L619 PolarHBondContact O-N 3.5Å; F615-T628 HydrophobicContact CB-CG2 4.36Å; F615-T628 HydrophobicContact CD1-CG2 3.82Å; F615-T628 VanDerWaalsContact O-CG2 3.28Å; F615-T628 WeakPolarHBondContact O-CG2 3.42Å; F615-A631 HydrophobicContact CD1-CB 4.41Å; F615-A631 HydrophobicContact CE1-CB 3.65Å; F615-L632 HydrophobicContact CB-CD2 4.13Å; F615-L632 HydrophobicContact CD1-CD2 4.3Å; F615-L632 HydrophobicContact CD1-CG 4.35Å; F615-L632 HydrophobicContact CG-CD2 4.37Å; F615-I635 HydrophobicContact CE1-CD1 4.47Å; F615-I635 HydrophobicContact CZ-CD1 4.39Å
616L94.3Very high93.1Very high9 Ų952 Ų525%0.04727%0.268CS..Hα-helixtrans-62.1-38.8175.6-169.668.8000112.2L612 Q613 I614 L619 K620 E650 I654L612-L616 PolarHBondContact O-N 2.96Å; Q613-L616 WeakPolarHBondContact O-CB 3.31Å; Q613-L616 PolarHBondContact O-N 2.93Å; I614-L616 VanDerWaalsContact C-N 3.27Å; I614-L616 PolarHBondContact O-N 2.83Å; L616-L619 WeakPolarHBondContact O-CB 3.43Å; L616-L619 PolarHBondContact O-N 3.19Å; L616-K620 WeakPolarHBondContact O-CG 3.42Å; L616-K620 PolarHBondContact O-N 2.94Å; L616-E650 HydrophobicContact CD1-CB 4.13Å; L616-E650 HydrophobicContact CD2-CB 3.83Å; L616-I654 HydrophobicContact CD1-CD1 3.9Å
617E93.7Very high93.5Very high117 Ų11748.3 Ų48.355%0.54724%0.241SC..Hα-helixtrans-66.3-42.7172.7-67.2176.9-176.800112.4Q613 I614 F615 L619 K620 N621Q613-E617 PolarHBondContact O-N 3.44Å; I614-E617 WeakPolarHBondContact O-CB 3.33Å; I614-E617 PolarHBondContact O-N 3.24Å; F615-E617 VanDerWaalsContact C-N 3.33Å; F615-E617 PolarHBondContact O-N 3.06Å; E617-L619 VanDerWaalsContact C-N 3.26Å; E617-L619 PolarHBondContact O-N 3.02Å; E617-K620 PolarHBondContact O-N 3.41Å; E617-K620 VanDerWaalsContact O-N 3.16Å; E617-N621 PolarHBondContact O-N 2.89Å
618R93.7Very high93.7Very high34 Ų3444.7 Ų44.713%0.12822%0.221CC..Hα-helixtrans-67.6-27.3176.8-63.5-61.4173.1-131.91.9112.7L576 K577 I590 I614 F615 N621 T624 T628L576-R618 HydrophobicContact CD1-CG 4.38Å; L576-R618 PolarHBondContact O-NE 2.92Å; L576-R618 PolarHBondContact O-NH2 3.29Å; K577-R618 PolarHBondContact O-NH2 3.12Å; I590-R618 HydrophobicContact CD1-CB 4.2Å; I590-R618 HydrophobicContact CD1-CG 4.25Å; I590-R618 HydrophobicContact CG1-CG 4.46Å; I614-R618 HydrophobicContact CG2-CG 4.36Å; I614-R618 WeakPolarHBondContact O-CG 3.03Å; I614-R618 PolarHBondContact O-N 3.03Å; F615-R618 PolarHBondContact O-N 2.95Å; R618-N621 PolarHBondContact O-N 2.62Å; R618-T624 PolarHBondContact O-OG1 3.42Å; R618-T628 HydrophobicContact CB-CG2 4.1Å; R618-T628 WeakPolarHBondContact CB-OG1 3.41Å; R618-T628 PolarHBondContact O-OG1 2.6Å
619L94.1Very high94Very high1 Ų143.7 Ų43.71%0.00522%0.216CC..Hα-helixtrans-66.6-38.7172.3-163.568000110.8F615 L616 E617 N621 R625 T628 V629 L632 I654 L655 F658F615-L619 WeakPolarHBondContact O-CB 3.44Å; F615-L619 PolarHBondContact O-N 3.5Å; L616-L619 WeakPolarHBondContact O-CB 3.43Å; L616-L619 PolarHBondContact O-N 3.19Å; E617-L619 VanDerWaalsContact C-N 3.26Å; E617-L619 PolarHBondContact O-N 3.02Å; L619-N621 VanDerWaalsContact C-N 3.31Å; L619-N621 PolarHBondContact O-N 3.3Å; L619-R625 WeakPolarHBondContact O-CB 3.36Å; L619-T628 HydrophobicContact CB-CG2 4Å; L619-T628 HydrophobicContact CD1-CG2 4Å; L619-V629 HydrophobicContact CD1-CG2 3.6Å; L619-L632 HydrophobicContact CD1-CD1 4.15Å; L619-L632 HydrophobicContact CD2-CD1 4.21Å; L619-I654 HydrophobicContact CD2-CB 4.21Å; L619-I654 HydrophobicContact CD2-CG2 3.77Å; L619-I654 HydrophobicContact CG-CG2 3.89Å; L619-L655 HydrophobicContact CD1-CD2 4.19Å; L619-L655 HydrophobicContact CD2-CD2 4.28Å; L619-L655 HydrophobicContact CD2-CG 4.35Å; L619-F658 HydrophobicContact CD1-CE2 3.73Å; L619-F658 HydrophobicContact CD1-CZ 4.31Å; L619-F658 HydrophobicContact CG-CE2 3.93Å; L619-F658 HydrophobicContact CG-CZ 4.05Å; L619-F658 WeakPolarHBondContact O-CZ 3.45Å
620K93.6Very high94.2Very high110 Ų11047.5 Ų47.548%0.47823%0.227SC..Hα-helixtrans-68.9-27.6177.5-67.2170.2-176.9173.20112.2L616 E617 E650 I654L616-K620 WeakPolarHBondContact O-CG 3.42Å; L616-K620 PolarHBondContact O-N 2.94Å; E617-K620 PolarHBondContact O-N 3.41Å; E617-K620 VanDerWaalsContact O-N 3.16Å; K620-E650 IonicContact NZ-OE2 3.68Å; K620-E650 PolarHBondContact NZ-OE2 3.33Å; K620-I654 HydrophobicContact CD-CD1 4.27Å; K620-I654 HydrophobicContact CG-CD1 3.89Å
621N92.1Very high94.4Very high64 Ų6442.6 Ų42.634%0.34220%0.201SC..SBendtrans-73.9137.2179.6-175.7-38.4000112.7E617 R618 L619 I623 T624 R625E617-N621 PolarHBondContact O-N 2.89Å; R618-N621 PolarHBondContact O-N 2.62Å; L619-N621 VanDerWaalsContact C-N 3.31Å; L619-N621 PolarHBondContact O-N 3.3Å; N621-I623 PolarHBondContact OD1-N 3.28Å; N621-T624 WeakPolarHBondContact CB-OG1 3.13Å; N621-R625 VanDerWaalsContact O-CB 3.28Å; N621-R625 WeakPolarHBondContact O-CB 3.37Å; N621-R625 PolarHBondContact O-N 3.04Å; N621-R625 PolarHBondContact O-NE 2.92Å
622E90.1Very high94.5Very high132 Ų13243.6 Ų43.662%0.61721%0.207SC*.THydrogen-bonded Turntrans-65.8-40.7-175.3-177.5137.9-112.100116.2R625E622-R625 WeakPolarHBondContact O-CG 3.37Å; E622-R625 IonicContact OE1-CZ 3.77Å; E622-R625 IonicContact OE1-NH1 3.78Å; E622-R625 PolarHBondContact OE1-NH1 2.89Å; E622-R625 IonicContact OE1-NH2 3.96Å
623I91.5Very high94.6Very high109 Ų10944.4 Ų44.456%0.55921%0.212SC*.THydrogen-bonded Turntrans-82.6-30.8-171.4-39.8-179.3000109.8Q583 N621Q583-I623 HydrophobicContact CG-CG2 3.97Å; N621-I623 PolarHBondContact OD1-N 3.28Å
624T92.8Very high94.6Very high1 Ų143.5 Ų43.51%0.00621%0.209CC..THydrogen-bonded Turntrans-97.2-8.1-17656.20000115K586 I590 R618 N621 L626 T627 T628K586-T624 HydrophobicContact CB-CG2 4.27Å; I590-T624 HydrophobicContact CD1-CG2 3.72Å; R618-T624 PolarHBondContact O-OG1 3.42Å; N621-T624 WeakPolarHBondContact CB-OG1 3.13Å; T624-L626 PolarHBondContact O-N 2.59Å; T624-T627 PolarHBondContact O-N 3.42Å; T624-T628 WeakPolarHBondContact O-CB 3.48Å; T624-T628 PolarHBondContact O-N 3.33Å; T624-T628 PolarHBondContact O-OG1 3.21Å
625R95Very high94.7Very high17 Ų1742.6 Ų42.66%0.06421%0.205CC..Hα-helixtrans-59.4-41.5-171.861.3-179.562.5135.5-0113.7L619 N621 E622 T628 V629 F658 L666L619-R625 WeakPolarHBondContact O-CB 3.36Å; N621-R625 VanDerWaalsContact O-CB 3.28Å; N621-R625 WeakPolarHBondContact O-CB 3.37Å; N621-R625 PolarHBondContact O-N 3.04Å; N621-R625 PolarHBondContact O-NE 2.92Å; E622-R625 WeakPolarHBondContact O-CG 3.37Å; E622-R625 IonicContact OE1-CZ 3.77Å; E622-R625 IonicContact OE1-NH1 3.78Å; E622-R625 PolarHBondContact OE1-NH1 2.89Å; E622-R625 IonicContact OE1-NH2 3.96Å; R625-T628 WeakPolarHBondContact O-CB 3.48Å; R625-T628 PolarHBondContact O-N 3.22Å; R625-V629 VanDerWaalsContact O-CG2 3.25Å; R625-V629 WeakPolarHBondContact O-CG2 3.34Å; R625-V629 PolarHBondContact O-N 3.29Å; R625-F658 HydrophobicContact CB-CE2 4.12Å; R625-F658 HydrophobicContact CB-CZ 4.07Å; R625-L666 HydrophobicContact CG-CD1 3.96Å; R625-L666 HydrophobicContact CG-CD2 4.25Å
626L95.5Very high94.6Very high34 Ų3442.7 Ų42.718%0.17821%0.205CC..Hα-helixtrans-64.3-47.5-178.3175.460000111.1T624 T628 V629 K630 A665 L666T624-L626 PolarHBondContact O-N 2.59Å; L626-T628 VanDerWaalsContact C-N 3.26Å; L626-T628 PolarHBondContact O-N 3.17Å; L626-V629 WeakPolarHBondContact O-CB 3.21Å; L626-V629 PolarHBondContact O-N 3.09Å; L626-K630 PolarHBondContact O-N 3.35Å; L626-A665 HydrophobicContact CD1-CB 4.45Å; L626-A665 WeakPolarHBondContact CD1-O 3.16Å; L626-A665 HydrophobicContact CD2-CB 3.91Å; L626-L666 HydrophobicContact CB-CD1 4.25Å; L626-L666 HydrophobicContact CD1-CD1 4.33Å
627T96Very high94.6Very high19 Ų1944.1 Ų44.112%0.11722%0.222CC..Hα-helixtrans-61.4-38.1176.3-47.70000111.2E587 I590 S591 T624 K630 A631E587-T627 HydrophobicContact CB-CG2 4.1Å; E587-T627 HydrophobicContact CG-CG2 4.44Å; E587-T627 WeakPolarHBondContact O-CG2 3.24Å; I590-T627 HydrophobicContact CB-CG2 4.13Å; I590-T627 HydrophobicContact CG2-CG2 3.98Å; S591-T627 VanDerWaalsContact OG-CG2 3.23Å; S591-T627 WeakPolarHBondContact OG-CG2 3.33Å; T624-T627 PolarHBondContact O-N 3.42Å; T627-K630 PolarHBondContact O-N 3.18Å; T627-A631 WeakPolarHBondContact O-CB 3.41Å; T627-A631 PolarHBondContact O-N 3.31Å
628T96.9Very high94.6Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-66.7-42.1175.5-500000111.9F615 R618 L619 T624 R625 L626 A631 L632F615-T628 HydrophobicContact CB-CG2 4.36Å; F615-T628 HydrophobicContact CD1-CG2 3.82Å; F615-T628 VanDerWaalsContact O-CG2 3.28Å; F615-T628 WeakPolarHBondContact O-CG2 3.42Å; R618-T628 HydrophobicContact CB-CG2 4.1Å; R618-T628 WeakPolarHBondContact CB-OG1 3.41Å; R618-T628 PolarHBondContact O-OG1 2.6Å; L619-T628 HydrophobicContact CB-CG2 4Å; L619-T628 HydrophobicContact CD1-CG2 4Å; T624-T628 WeakPolarHBondContact O-CB 3.48Å; T624-T628 PolarHBondContact O-N 3.33Å; T624-T628 PolarHBondContact O-OG1 3.21Å; R625-T628 WeakPolarHBondContact O-CB 3.48Å; R625-T628 PolarHBondContact O-N 3.22Å; L626-T628 VanDerWaalsContact C-N 3.26Å; L626-T628 PolarHBondContact O-N 3.17Å; T628-A631 PolarHBondContact O-N 2.96Å; T628-L632 HydrophobicContact CG2-CD1 4.21Å; T628-L632 HydrophobicContact CG2-CG 4.49Å; T628-L632 WeakPolarHBondContact O-CB 3.46Å; T628-L632 WeakPolarHBondContact O-CG 3.48Å; T628-L632 PolarHBondContact O-N 3Å
629V97.3Very high94.4Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-58.8-50.7174.51700000109.9L619 R625 L626 A631 L632 T633 L655 F658 L666 G669 A673L619-V629 HydrophobicContact CD1-CG2 3.6Å; R625-V629 VanDerWaalsContact O-CG2 3.25Å; R625-V629 WeakPolarHBondContact O-CG2 3.34Å; R625-V629 PolarHBondContact O-N 3.29Å; L626-V629 WeakPolarHBondContact O-CB 3.21Å; L626-V629 PolarHBondContact O-N 3.09Å; V629-A631 VanDerWaalsContact C-N 3.32Å; V629-A631 PolarHBondContact O-N 3.22Å; V629-L632 PolarHBondContact O-N 3.28Å; V629-T633 PolarHBondContact O-N 3.22Å; V629-T633 PolarHBondContact O-OG1 3.11Å; V629-L655 HydrophobicContact CG2-CD2 3.75Å; V629-F658 HydrophobicContact CG2-CD2 4.04Å; V629-F658 HydrophobicContact CG2-CE2 3.95Å; V629-L666 HydrophobicContact CG2-CD1 4.11Å; V629-G669 VanDerWaalsContact CG1-O 3.26Å; V629-G669 WeakPolarHBondContact CG1-O 3.5Å; V629-A673 HydrophobicContact CG1-CB 4.05Å
630K96.7Very high94.2Very high136 Ų13643.4 Ų43.459%0.59123%0.229SC*.Hα-helixtrans-57.7-43.5177.7-70.2-177.8176.9-175.40112.3L626 T627 T633 L634L626-K630 PolarHBondContact O-N 3.35Å; T627-K630 PolarHBondContact O-N 3.18Å; K630-T633 WeakPolarHBondContact O-CB 3.38Å; K630-T633 PolarHBondContact O-N 3.03Å; K630-L634 PolarHBondContact O-N 3.08Å
631A96.6Very high93.9Very high5 Ų546.7 Ų46.74%0.04124%0.244CC..Hα-helixtrans-65-42.1177.100000112.4I590 F615 T627 T628 V629 L634 I635I590-A631 HydrophobicContact CG2-CB 3.99Å; F615-A631 HydrophobicContact CD1-CB 4.41Å; F615-A631 HydrophobicContact CE1-CB 3.65Å; T627-A631 WeakPolarHBondContact O-CB 3.41Å; T627-A631 PolarHBondContact O-N 3.31Å; T628-A631 PolarHBondContact O-N 2.96Å; V629-A631 VanDerWaalsContact C-N 3.32Å; V629-A631 PolarHBondContact O-N 3.22Å; A631-L634 WeakPolarHBondContact O-CB 3.37Å; A631-L634 PolarHBondContact O-N 2.75Å; A631-I635 VanDerWaalsContact O-CG1 3.26Å; A631-I635 WeakPolarHBondContact O-CG1 3.42Å; A631-I635 PolarHBondContact O-N 2.9Å
632L96.1Very high93.9Very high26 Ų2643.9 Ų43.914%0.13623%0.229CC..Hα-helixtrans-66.5-36.9175.5-73.4173.8000112.2F615 L619 T628 V629 L634 I635 A636F615-L632 HydrophobicContact CB-CD2 4.13Å; F615-L632 HydrophobicContact CD1-CD2 4.3Å; F615-L632 HydrophobicContact CD1-CG 4.35Å; F615-L632 HydrophobicContact CG-CD2 4.37Å; L619-L632 HydrophobicContact CD1-CD1 4.15Å; L619-L632 HydrophobicContact CD2-CD1 4.21Å; T628-L632 HydrophobicContact CG2-CD1 4.21Å; T628-L632 HydrophobicContact CG2-CG 4.49Å; T628-L632 WeakPolarHBondContact O-CB 3.46Å; T628-L632 WeakPolarHBondContact O-CG 3.48Å; T628-L632 PolarHBondContact O-N 3Å; V629-L632 PolarHBondContact O-N 3.28Å; L632-L634 VanDerWaalsContact C-N 3.33Å; L632-I635 HydrophobicContact CD2-CD1 4.38Å; L632-I635 PolarHBondContact O-N 3.03Å; L632-A636 WeakPolarHBondContact O-CB 3.36Å; L632-A636 PolarHBondContact O-N 3.23Å
633T96.2Very high93.9Very high17 Ų1741 Ų4110%0.10422%0.218CC..Hα-helixtrans-59.2-45.9172.3-55.80000111V629 K630 A636 G637 A673 I676V629-T633 PolarHBondContact O-N 3.22Å; V629-T633 PolarHBondContact O-OG1 3.11Å; K630-T633 WeakPolarHBondContact O-CB 3.38Å; K630-T633 PolarHBondContact O-N 3.03Å; T633-A636 PolarHBondContact O-N 2.87Å; T633-G637 PolarHBondContact O-N 3.24Å; T633-A673 WeakPolarHBondContact OG1-CA 3.49Å; T633-A673 WeakPolarHBondContact OG1-CB 2.86Å; T633-I676 HydrophobicContact CG2-CD1 3.4Å; T633-I676 VanDerWaalsContact CG2-CD1 3.4Å
634L94.9Very high94Very high64 Ų6436 Ų3634%0.33519%0.192SC..Hα-helixtrans-61.4-46.8176.5-18068.7000111.5Q595 C598 K630 A631 L632 G637 S638Q595-L634 HydrophobicContact CB-CD2 4.43Å; C598-L634 HydrophobicContact CB-CD2 4.12Å; C598-L634 HydrophobicContact CB-CG 3.86Å; K630-L634 PolarHBondContact O-N 3.08Å; A631-L634 WeakPolarHBondContact O-CB 3.37Å; A631-L634 PolarHBondContact O-N 2.75Å; L632-L634 VanDerWaalsContact C-N 3.33Å; L634-G637 PolarHBondContact O-N 3.5Å; L634-S638 PolarHBondContact O-N 2.67Å
635I95.8Very high93.8Very high0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-62.9-45.5178.1-64.1162.3000110.9G594 I597 F615 A631 L632 G637 S638 I642 L644G594-I635 WeakPolarHBondContact O-CG1 3.27Å; I597-I635 HydrophobicContact CB-CD1 3.99Å; I597-I635 HydrophobicContact CB-CG1 3.92Å; I597-I635 HydrophobicContact CD1-CD1 3.91Å; I597-I635 HydrophobicContact CG2-CB 4.35Å; I597-I635 HydrophobicContact CG2-CD1 3.96Å; I597-I635 HydrophobicContact CG2-CG1 3.81Å; I597-I635 HydrophobicContact CG2-CG2 3.58Å; F615-I635 HydrophobicContact CE1-CD1 4.47Å; F615-I635 HydrophobicContact CZ-CD1 4.39Å; A631-I635 VanDerWaalsContact O-CG1 3.26Å; A631-I635 WeakPolarHBondContact O-CG1 3.42Å; A631-I635 PolarHBondContact O-N 2.9Å; L632-I635 HydrophobicContact CD2-CD1 4.38Å; L632-I635 PolarHBondContact O-N 3.03Å; I635-G637 VanDerWaalsContact C-N 3.25Å; I635-G637 PolarHBondContact O-N 3.18Å; I635-S638 VanDerWaalsContact O-CB 3.24Å; I635-S638 WeakPolarHBondContact O-CB 3.37Å; I635-S638 PolarHBondContact O-N 2.73Å; I635-S638 VanDerWaalsContact O-N 3.1Å; I635-I642 HydrophobicContact CG2-CB 4.09Å; I635-I642 HydrophobicContact CG2-CG1 4.38Å; I635-I642 HydrophobicContact CG2-CG2 4Å; I635-L644 HydrophobicContact CG2-CD1 4.35Å; I635-L644 HydrophobicContact CG2-CD2 3.76Å; I635-L644 HydrophobicContact CG2-CG 4.34Å
636A94.7Very high93.6Very high1 Ų144.7 Ų44.71%0.00823%0.234CC..Hα-helixtrans-64.5-31.4-17900000112.5L632 T633 S638 L644 I676 L677 N680 Y681L632-A636 WeakPolarHBondContact O-CB 3.36Å; L632-A636 PolarHBondContact O-N 3.23Å; T633-A636 PolarHBondContact O-N 2.87Å; A636-S638 VanDerWaalsContact C-N 3.33Å; A636-L644 HydrophobicContact CB-CD1 3.66Å; A636-I676 HydrophobicContact CB-CG2 3.69Å; A636-L677 HydrophobicContact CB-CD2 3.81Å; A636-L677 HydrophobicContact CB-CG 4.36Å; A636-N680 PolarHBondContact O-ND2 2.75Å; A636-Y681 HydrophobicContact CB-CE2 4.04Å
637G93.7Very high93.4Very high39 Ų3943.6 Ų43.640%0.40223%0.229SC..THydrogen-bonded Turntrans-83.2-3.2175.800000114.5T633 L634 I635T633-G637 PolarHBondContact O-N 3.24Å; L634-G637 PolarHBondContact O-N 3.5Å; I635-G637 VanDerWaalsContact C-N 3.25Å; I635-G637 PolarHBondContact O-N 3.18Å
638S93.2Very high93.3Very high6 Ų643.1 Ų43.14%0.04223%0.225CC..  trans-61.4131.8-176.7174.80000111.7C598 L634 I635 A636 L640 K641C598-S638 PolarHBondContact O-OG 3.21Å; L634-S638 PolarHBondContact O-N 2.67Å; I635-S638 VanDerWaalsContact O-CB 3.24Å; I635-S638 WeakPolarHBondContact O-CB 3.37Å; I635-S638 PolarHBondContact O-N 2.73Å; I635-S638 VanDerWaalsContact O-N 3.1Å; A636-S638 VanDerWaalsContact C-N 3.33Å; S638-L640 PolarHBondContact O-N 3.41Å; S638-L640 VanDerWaalsContact O-N 3.1Å; S638-L640 WeakPolarHBondContact OG-CB 3.45Å; S638-L640 PolarHBondContact OG-N 3.09Å; S638-L640 VanDerWaalsContact OG-N 3.15Å; S638-K641 PolarHBondContact O-N 3.3Å
639P90.6Very high93Very high88 Ų8845 Ų4557%0.57125%0.245SC*.THydrogen-bonded Turntrans-62.5-14.7173.427.1-35.1000113.2L553 K641L553-P639 HydrophobicContact CB-CG 4.14Å; L553-P639 HydrophobicContact CD1-CG 3.96Å; L553-P639 HydrophobicContact CD2-CG 4.35Å; L553-P639 HydrophobicContact CG-CG 4.38Å; P639-K641 PolarHBondContact O-N 3.37Å
640L89.6Confident92.8Very high43 Ų4350.2 Ų50.223%0.22527%0.269CS..THydrogen-bonded Turntrans-76-6.6177.7-55.7-178.5000113.7L553 C598 N599 S638 I642L553-L640 HydrophobicContact CD2-CD2 4.4Å; L553-L640 HydrophobicContact CD2-CG 4.44Å; C598-L640 WeakPolarHBondContact O-CD1 3.37Å; N599-L640 WeakPolarHBondContact O-CD1 3.43Å; S638-L640 PolarHBondContact O-N 3.41Å; S638-L640 VanDerWaalsContact O-N 3.1Å; S638-L640 WeakPolarHBondContact OG-CB 3.45Å; S638-L640 PolarHBondContact OG-N 3.09Å; S638-L640 VanDerWaalsContact OG-N 3.15Å; L640-I642 HydrophobicContact CB-CD1 3.81Å; L640-I642 HydrophobicContact CB-CG1 4.44Å; L640-I642 HydrophobicContact CD1-CD1 4.49Å; L640-I642 PolarHBondContact O-N 2.78Å
641K87Confident92.7Very high179 Ų17944.2 Ų44.278%0.77825%0.245SC*.  trans53.952.7179.5-57.2-175.3179.3-176.70113.2S638 P639 D643S638-K641 PolarHBondContact O-N 3.3Å; P639-K641 PolarHBondContact O-N 3.37Å; K641-D643 PolarHBondContact O-N 3.02Å
642I91.8Very high92.6Very high6 Ų644.1 Ų44.13%0.03125%0.245CC..  trans-57.5130.4179.5-55.4-52.9000110.9I597 L608 I635 L640 L644 Y681I597-I642 HydrophobicContact CG2-CG1 4.37Å; I597-I642 HydrophobicContact CG2-CG2 3.85Å; L608-I642 HydrophobicContact CD1-CG2 3.9Å; L608-I642 HydrophobicContact CD2-CG2 3.73Å; L608-I642 HydrophobicContact CG-CG2 4.41Å; I635-I642 HydrophobicContact CG2-CB 4.09Å; I635-I642 HydrophobicContact CG2-CG1 4.38Å; I635-I642 HydrophobicContact CG2-CG2 4Å; L640-I642 HydrophobicContact CB-CD1 3.81Å; L640-I642 HydrophobicContact CB-CG1 4.44Å; L640-I642 HydrophobicContact CD1-CD1 4.49Å; L640-I642 PolarHBondContact O-N 2.78Å; I642-L644 PolarHBondContact O-N 3.47Å; I642-Y681 VanDerWaalsContact O-CE1 3.3Å; I642-Y681 WeakPolarHBondContact O-CE1 3.33Å; I642-Y681 PolarHBondContact O-OH 3.42Å
643D90.7Very high92.5Very high72 Ų7245.5 Ų45.539%0.38526%0.255SS..  trans-72.5100.8-178.6-170.52.6000112.1L612 K641 R645L612-D643 WeakPolarHBondContact CD1-O 3.2Å; K641-D643 PolarHBondContact O-N 3.02Å; D643-R645 WeakPolarHBondContact OD1-CB 3.35Å; D643-R645 WeakPolarHBondContact OD1-CD 3.39Å; D643-R645 WeakPolarHBondContact OD1-CG 3.47Å; D643-R645 PolarHBondContact OD1-N 3.34Å
644L92.1Very high92.4Very high3 Ų346 Ų462%0.01626%0.257CS..  trans-89.4-8.7175.9-68-178.4000113.8L612 I635 A636 I642 P646 V647 L648 L677 Y681L612-L644 HydrophobicContact CD1-CD2 3.91Å; L612-L644 HydrophobicContact CD2-CD2 3.62Å; L612-L644 HydrophobicContact CG-CD2 4.43Å; I635-L644 HydrophobicContact CG2-CD1 4.35Å; I635-L644 HydrophobicContact CG2-CD2 3.76Å; I635-L644 HydrophobicContact CG2-CG 4.34Å; A636-L644 HydrophobicContact CB-CD1 3.66Å; I642-L644 PolarHBondContact O-N 3.47Å; L644-P646 VanDerWaalsContact C-N 3.28Å; L644-P646 WeakPolarHBondContact O-CD 3.32Å; L644-P646 VanDerWaalsContact O-N 3.08Å; L644-V647 VanDerWaalsContact O-CG2 3.25Å; L644-V647 WeakPolarHBondContact O-CG2 2.98Å; L644-V647 PolarHBondContact O-N 3.1Å; L644-L648 HydrophobicContact CB-CD2 4.02Å; L644-L648 HydrophobicContact CB-CG 4.27Å; L644-L648 WeakPolarHBondContact O-CG 3.33Å; L644-L648 PolarHBondContact O-N 3.15Å; L644-L677 HydrophobicContact CD1-CD2 4.01Å; L644-Y681 HydrophobicContact CB-CD1 4.43Å; L644-Y681 HydrophobicContact CB-CE1 4.02Å; L644-Y681 HydrophobicContact CD1-CE2 3.95Å; L644-Y681 HydrophobicContact CG-CE1 4.29Å
645R90.1Very high92.5Very high129 Ų12943.2 Ų43.249%0.48724%0.242SC..Hα-helixtrans-49-38.7-173.3-63.2173.1178.9140.1-5.5114.7D643 V647 L648 D683 S684D643-R645 WeakPolarHBondContact OD1-CB 3.35Å; D643-R645 WeakPolarHBondContact OD1-CD 3.39Å; D643-R645 WeakPolarHBondContact OD1-CG 3.47Å; D643-R645 PolarHBondContact OD1-N 3.34Å; R645-V647 PolarHBondContact O-N 2.73Å; R645-V647 VanDerWaalsContact O-N 3.11Å; R645-L648 PolarHBondContact O-N 3.12Å; R645-D683 IonicContact CZ-OD2 3.15Å; R645-D683 IonicContact NE-OD2 2.69Å; R645-D683 IonicContact NH2-OD2 3.5Å; R645-D683 PolarHBondContact NH2-OD2 3.02Å; R645-S684 WeakPolarHBondContact CD-OG 3.41Å; R645-S684 VanDerWaalsContact CG-OG 3.31Å; R645-S684 WeakPolarHBondContact CG-OG 3.33Å; R645-S684 PolarHBondContact NE-OG 3.17Å; R645-S684 VanDerWaalsContact NE-OG 3.09Å
646P89.6Confident92.5Very high72 Ų7243.3 Ų43.347%0.46824%0.243SC..Hα-helixtrans-59.8-23.7-178.9-25.936.1000115L644L644-P646 VanDerWaalsContact C-N 3.28Å; L644-P646 WeakPolarHBondContact O-CD 3.32Å; L644-P646 VanDerWaalsContact O-N 3.08Å
647V92.9Very high92.5Very high11 Ų1144.6 Ų44.67%0.06725%0.252CS..Hα-helixtrans-112.4-11.5-176.4-63.20000113.8L612 Q613 L644 R645 G649 E650 G651L612-V647 HydrophobicContact CB-CG1 3.84Å; L612-V647 HydrophobicContact CB-CG2 4.28Å; Q613-V647 HydrophobicContact CG-CG1 4.48Å; L644-V647 VanDerWaalsContact O-CG2 3.25Å; L644-V647 WeakPolarHBondContact O-CG2 2.98Å; L644-V647 PolarHBondContact O-N 3.1Å; R645-V647 PolarHBondContact O-N 2.73Å; R645-V647 VanDerWaalsContact O-N 3.11Å; V647-G649 PolarHBondContact O-N 3.27Å; V647-E650 PolarHBondContact O-N 3.46Å; V647-G651 WeakPolarHBondContact O-CA 3.43Å; V647-G651 PolarHBondContact O-N 3.25Å
648L92.3Very high92.6Very high9 Ų943 Ų435%0.04723%0.234CC..Hα-helixtrans-61.5-33.7-177.7-64.4-175.8000112.6L644 R645 E650 G651 V652 L677 Y681 L685L644-L648 HydrophobicContact CB-CD2 4.02Å; L644-L648 HydrophobicContact CB-CG 4.27Å; L644-L648 WeakPolarHBondContact O-CG 3.33Å; L644-L648 PolarHBondContact O-N 3.15Å; R645-L648 PolarHBondContact O-N 3.12Å; L648-E650 VanDerWaalsContact C-N 3.34Å; L648-E650 PolarHBondContact O-N 3.13Å; L648-G651 PolarHBondContact O-N 2.61Å; L648-V652 HydrophobicContact CB-CG2 4.44Å; L648-V652 WeakPolarHBondContact O-CG2 3.43Å; L648-V652 PolarHBondContact O-N 3.44Å; L648-L677 HydrophobicContact CD2-CD1 4.38Å; L648-L677 HydrophobicContact CD2-CD2 3.66Å; L648-Y681 HydrophobicContact CD1-CD1 4.42Å; L648-Y681 HydrophobicContact CD1-CG 4.2Å; L648-L685 HydrophobicContact CD1-CD2 4.4Å
649G91.2Very high92.7Very high39 Ų3942.7 Ų42.740%0.40223%0.232SC..Hα-helixtrans-59.6-40.5-177.100000114.4V647 P653V647-G649 PolarHBondContact O-N 3.27Å; G649-P653 WeakPolarHBondContact O-CD 3.44Å; G649-P653 WeakPolarHBondContact O-CG 3.28Å
650E92.7Very high92.8Very high110 Ų11046.5 Ų46.551%0.51424%0.235SC..Hα-helixtrans-92.4-33.4172.5-75.4-170.2-151.300112.4L616 K620 V647 L648 P653 I654L616-E650 HydrophobicContact CD1-CB 4.13Å; L616-E650 HydrophobicContact CD2-CB 3.83Å; K620-E650 IonicContact NZ-OE2 3.68Å; K620-E650 PolarHBondContact NZ-OE2 3.33Å; V647-E650 PolarHBondContact O-N 3.46Å; L648-E650 VanDerWaalsContact C-N 3.34Å; L648-E650 PolarHBondContact O-N 3.13Å; E650-P653 WeakPolarHBondContact O-CD 3.37Å; E650-I654 VanDerWaalsContact O-CD1 3.31Å; E650-I654 WeakPolarHBondContact O-CD1 3.21Å; E650-I654 VanDerWaalsContact O-CG1 3.24Å; E650-I654 WeakPolarHBondContact O-CG1 3.44Å; E650-I654 PolarHBondContact O-N 3.29Å
651G94.1Very high92.9Very high9 Ų947.5 Ų47.59%0.09324%0.238CC..Hα-helixtrans-65.5-44.9-173.900000113.3V647 L648 I654 L655V647-G651 WeakPolarHBondContact O-CA 3.43Å; V647-G651 PolarHBondContact O-N 3.25Å; L648-G651 PolarHBondContact O-N 2.61Å; G651-I654 PolarHBondContact O-N 3.37Å; G651-L655 WeakPolarHBondContact O-CG 3.49Å; G651-L655 PolarHBondContact O-N 2.71Å
652V94.6Very high93.1Very high4 Ų446.9 Ų46.92%0.02424%0.243CC..Hα-helixtrans-65.3-45.8-177.3175.90000112.2L648 I654 L655 A656 L674 L677 L685 M689 V693L648-V652 HydrophobicContact CB-CG2 4.44Å; L648-V652 WeakPolarHBondContact O-CG2 3.43Å; L648-V652 PolarHBondContact O-N 3.44Å; V652-I654 VanDerWaalsContact C-N 3.29Å; V652-I654 PolarHBondContact O-N 3.5Å; V652-L655 PolarHBondContact O-N 3.19Å; V652-A656 PolarHBondContact O-N 3.35Å; V652-L674 HydrophobicContact CG1-CD2 4.13Å; V652-L677 HydrophobicContact CG2-CD1 4.34Å; V652-L685 HydrophobicContact CG2-CD2 3.83Å; V652-M689 HydrophobicContact CB-CB 4.41Å; V652-M689 HydrophobicContact CG1-CB 3.96Å; V652-V693 HydrophobicContact CG1-CG2 4.04Å
653P94Very high93.1Very high55 Ų5550.6 Ų50.636%0.35726%0.26SS..Hα-helixtrans-58.3-36.9171.8-27.535.5000114.1G649 E650 A656 S657G649-P653 WeakPolarHBondContact O-CD 3.44Å; G649-P653 WeakPolarHBondContact O-CG 3.28Å; E650-P653 WeakPolarHBondContact O-CD 3.37Å; P653-A656 PolarHBondContact O-N 3.01Å; P653-S657 PolarHBondContact O-N 3.25Å; P653-S657 VanDerWaalsContact O-N 3.12Å
654I95.3Very high93.3Very high27 Ų2753.3 Ų53.314%0.13827%0.265CS..Hα-helixtrans-66-46.6176.2-67.4164000110.4L616 L619 K620 E650 G651 V652 S657 F658L616-I654 HydrophobicContact CD1-CD1 3.9Å; L619-I654 HydrophobicContact CD2-CB 4.21Å; L619-I654 HydrophobicContact CD2-CG2 3.77Å; L619-I654 HydrophobicContact CG-CG2 3.89Å; K620-I654 HydrophobicContact CD-CD1 4.27Å; K620-I654 HydrophobicContact CG-CD1 3.89Å; E650-I654 VanDerWaalsContact O-CD1 3.31Å; E650-I654 WeakPolarHBondContact O-CD1 3.21Å; E650-I654 VanDerWaalsContact O-CG1 3.24Å; E650-I654 WeakPolarHBondContact O-CG1 3.44Å; E650-I654 PolarHBondContact O-N 3.29Å; G651-I654 PolarHBondContact O-N 3.37Å; V652-I654 VanDerWaalsContact C-N 3.29Å; V652-I654 PolarHBondContact O-N 3.5Å; I654-S657 WeakPolarHBondContact O-CB 3.34Å; I654-S657 PolarHBondContact O-N 3.09Å; I654-S657 PolarHBondContact O-OG 2.73Å; I654-F658 HydrophobicContact CG2-CE1 3.76Å; I654-F658 HydrophobicContact CG2-CE2 4.16Å; I654-F658 HydrophobicContact CG2-CZ 3.46Å; I654-F658 VanDerWaalsContact CG2-CZ 3.46Å; I654-F658 WeakPolarHBondContact O-CD1 3.22Å; I654-F658 PolarHBondContact O-N 2.87Å
655L96.3Very high93.3Very high5 Ų555.6 Ų55.63%0.02628%0.284CS..Hα-helixtrans-58.3-47.3175.1-71.1173.9000111L619 V629 G651 V652 S657 F658 T670 A673 L674 L677L619-L655 HydrophobicContact CD1-CD2 4.19Å; L619-L655 HydrophobicContact CD2-CD2 4.28Å; L619-L655 HydrophobicContact CD2-CG 4.35Å; V629-L655 HydrophobicContact CG2-CD2 3.75Å; G651-L655 WeakPolarHBondContact O-CG 3.49Å; G651-L655 PolarHBondContact O-N 2.71Å; V652-L655 PolarHBondContact O-N 3.19Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 3.29Å; L655-F658 HydrophobicContact CD2-CD2 4.25Å; L655-F658 HydrophobicContact CD2-CE2 4.36Å; L655-F658 VanDerWaalsContact O-CB 3.31Å; L655-F658 WeakPolarHBondContact O-CB 3.23Å; L655-F658 PolarHBondContact O-N 3.31Å; L655-T670 HydrophobicContact CB-CG2 3.97Å; L655-T670 HydrophobicContact CD2-CG2 4.27Å; L655-T670 WeakPolarHBondContact O-CG2 3.47Å; L655-A673 HydrophobicContact CD1-CB 4.47Å; L655-L674 HydrophobicContact CB-CD2 3.95Å; L655-L674 HydrophobicContact CB-CG 4.32Å; L655-L674 HydrophobicContact CD1-CD2 4.07Å; L655-L677 HydrophobicContact CD1-CD1 3.8Å
656A95.2Very high93.6Very high3 Ų349.5 Ų49.53%0.02526%0.261CS..Hα-helixtrans-52.8-44.6175.800000111.8V652 P653 F658 L659 A692 V693V652-A656 PolarHBondContact O-N 3.35Å; P653-A656 PolarHBondContact O-N 3.01Å; A656-F658 PolarHBondContact O-N 2.89Å; A656-F658 VanDerWaalsContact O-N 3.1Å; A656-L659 VanDerWaalsContact O-CB 3.31Å; A656-L659 WeakPolarHBondContact O-CB 3.49Å; A656-L659 PolarHBondContact O-N 3.49Å; A656-L659 VanDerWaalsContact O-N 3.1Å; A656-A692 HydrophobicContact CB-CB 4.42Å; A656-V693 HydrophobicContact CB-CB 4.47Å; A656-V693 HydrophobicContact CB-CG2 3.83Å
657S95.1Very high93.8Very high28 Ų2848.1 Ų48.120%0.19625%0.248CC..Hα-helixtrans-64.3-16178.484.60000115P653 I654 L655 R660P653-S657 PolarHBondContact O-N 3.25Å; P653-S657 VanDerWaalsContact O-N 3.12Å; I654-S657 WeakPolarHBondContact O-CB 3.34Å; I654-S657 PolarHBondContact O-N 3.09Å; I654-S657 PolarHBondContact O-OG 2.73Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 3.29Å; S657-R660 WeakPolarHBondContact O-CG 3.47Å
658F95.8Very high94Very high5 Ų549 Ų492%0.02225%0.252CS..Hα-helixtrans-79.1-23.7176.6-64.8-10.7000112.7L619 R625 V629 I654 L655 A656 R660 K661 L666 T670L619-F658 HydrophobicContact CD1-CE2 3.73Å; L619-F658 HydrophobicContact CD1-CZ 4.31Å; L619-F658 HydrophobicContact CG-CE2 3.93Å; L619-F658 HydrophobicContact CG-CZ 4.05Å; L619-F658 WeakPolarHBondContact O-CZ 3.45Å; R625-F658 HydrophobicContact CB-CE2 4.12Å; R625-F658 HydrophobicContact CB-CZ 4.07Å; V629-F658 HydrophobicContact CG2-CD2 4.04Å; V629-F658 HydrophobicContact CG2-CE2 3.95Å; I654-F658 HydrophobicContact CG2-CE1 3.76Å; I654-F658 HydrophobicContact CG2-CE2 4.16Å; I654-F658 HydrophobicContact CG2-CZ 3.46Å; I654-F658 VanDerWaalsContact CG2-CZ 3.46Å; I654-F658 WeakPolarHBondContact O-CD1 3.22Å; I654-F658 PolarHBondContact O-N 2.87Å; L655-F658 HydrophobicContact CD2-CD2 4.25Å; L655-F658 HydrophobicContact CD2-CE2 4.36Å; L655-F658 VanDerWaalsContact O-CB 3.31Å; L655-F658 WeakPolarHBondContact O-CB 3.23Å; L655-F658 PolarHBondContact O-N 3.31Å; A656-F658 PolarHBondContact O-N 2.89Å; A656-F658 VanDerWaalsContact O-N 3.1Å; F658-R660 VanDerWaalsContact C-N 3.27Å; F658-R660 PolarHBondContact O-N 3.43Å; F658-K661 HydrophobicContact CD1-CD 4.18Å; F658-K661 WeakPolarHBondContact O-CB 3.33Å; F658-K661 PolarHBondContact O-N 3.3Å; F658-L666 HydrophobicContact CB-CD2 3.89Å; F658-L666 HydrophobicContact CB-CG 4.01Å; F658-L666 HydrophobicContact CD1-CD2 4.38Å; F658-L666 HydrophobicContact CD2-CD1 3.89Å; F658-L666 HydrophobicContact CD2-CD2 4.23Å; F658-L666 HydrophobicContact CD2-CG 4.2Å; F658-L666 HydrophobicContact CE2-CD1 4.39Å; F658-L666 HydrophobicContact CG-CD1 4.41Å; F658-L666 HydrophobicContact CG-CD2 3.92Å; F658-L666 HydrophobicContact CG-CG 4.24Å; F658-T670 HydrophobicContact CB-CG2 4.23Å
659L94.9Very high94.1Very high0 Ų049.1 Ų49.10%026%0.256CS..Hα-helixtrans-62.7-32.8-179.8-65.1-177.8000112.5A656 K667 T670 L671 L674 V693 E696 L697 L700A656-L659 VanDerWaalsContact O-CB 3.31Å; A656-L659 WeakPolarHBondContact O-CB 3.49Å; A656-L659 PolarHBondContact O-N 3.49Å; A656-L659 VanDerWaalsContact O-N 3.1Å; L659-K667 WeakPolarHBondContact O-CE 3.28Å; L659-T670 HydrophobicContact CD2-CG2 3.61Å; L659-T670 HydrophobicContact CG-CG2 4Å; L659-L671 HydrophobicContact CD1-CD2 4.38Å; L659-L671 HydrophobicContact CD2-CD2 3.87Å; L659-L671 HydrophobicContact CD2-CG 3.82Å; L659-L674 HydrophobicContact CD1-CD1 4.01Å; L659-V693 HydrophobicContact CD1-CG1 4.2Å; L659-E696 HydrophobicContact CB-CB 4.04Å; L659-E696 HydrophobicContact CD1-CB 4.36Å; L659-L697 HydrophobicContact CD1-CD2 4.06Å; L659-L700 HydrophobicContact CB-CD1 4.07Å; L659-L700 HydrophobicContact CD1-CD1 4.35Å; L659-L700 HydrophobicContact CD2-CD1 4Å; L659-L700 HydrophobicContact CG-CD1 4.35Å
660R93.9Very high94.4Very high167 Ų16747.3 Ų47.363%0.6324%0.237SC*.THydrogen-bonded Turntrans-80.3-11.4173.658.6174.9-175.3-146.312.2115.7S657 F658 E696S657-R660 WeakPolarHBondContact O-CG 3.47Å; F658-R660 VanDerWaalsContact C-N 3.27Å; F658-R660 PolarHBondContact O-N 3.43Å; R660-E696 WeakPolarHBondContact CB-OE2 3.27Å; R660-E696 WeakPolarHBondContact CD-OE1 3.45Å; R660-E696 IonicContact CZ-OE1 3.36Å; R660-E696 IonicContact NE-OE1 2.73Å; R660-E696 IonicContact NH1-OE1 2.88Å; R660-E696 PolarHBondContact NH1-OE1 3.26Å
661K92.2Very high94.6Very high65 Ų6542.1 Ų42.128%0.28321%0.213SC..SBendtrans-74.4145.1-177.4-65.3-166179.4-158.40110.9F658 Q663 L666 K667F658-K661 HydrophobicContact CD1-CD 4.18Å; F658-K661 WeakPolarHBondContact O-CB 3.33Å; F658-K661 PolarHBondContact O-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.44Å; K661-L666 HydrophobicContact CB-CD2 4.5Å; K661-L666 HydrophobicContact CD-CD2 4.2Å; K661-K667 WeakPolarHBondContact O-CE 3.4Å
662N90.8Very high94.7Very high166 Ų16644 Ų4489%0.88823%0.225SC*.SBendtrans-79.656179.6-16525.8000112.9
663Q91.6Very high94.8Very high83 Ų8344 Ų4439%0.38822%0.224SC..  trans-138101.3177.3-170.8178.819.700109.9K661 A665 L666 K667K661-Q663 PolarHBondContact O-N 3.44Å; Q663-A665 PolarHBondContact O-N 2.93Å; Q663-L666 HydrophobicContact CB-CB 3.95Å; Q663-L666 HydrophobicContact CG-CB 3.93Å; Q663-L666 WeakPolarHBondContact O-CB 3.07Å; Q663-L666 PolarHBondContact O-N 3.41Å; Q663-L666 VanDerWaalsContact O-N 3.09Å; Q663-K667 PolarHBondContact O-N 3.43Å; Q663-K667 VanDerWaalsContact O-N 3.08Å
664R93.7Very high94.8Very high129 Ų12941.5 Ų41.549%0.48721%0.208SC..Hα-helixtrans-55.6-48.8-172.4-173.2-178.3-176.7-97.3-5.7113.6L666 K667 L668 D705 V708R664-L666 PolarHBondContact O-N 3.42Å; R664-K667 PolarHBondContact O-N 3.34Å; R664-K667 VanDerWaalsContact O-N 3.15Å; R664-L668 HydrophobicContact CG-CD1 4.29Å; R664-L668 PolarHBondContact O-N 3.36Å; R664-D705 WeakPolarHBondContact CD-OD2 3.45Å; R664-D705 IonicContact CZ-OD1 2.7Å; R664-D705 IonicContact CZ-OD2 3.72Å; R664-D705 IonicContact NE-OD1 2.74Å; R664-D705 IonicContact NE-OD2 2.89Å; R664-D705 PolarHBondContact NE-OD2 3.4Å; R664-D705 IonicContact NH2-OD1 3.3Å; R664-D705 PolarHBondContact NH2-OD1 2.96Å; R664-D705 IonicContact NH2-OD2 3.85Å; R664-V708 HydrophobicContact CG-CG2 4.43Å
665A94.1Very high94.8Very high52 Ų5241.3 Ų41.343%0.4321%0.207SC..Hα-helixtrans-60.1-35.1178.700000112.7L626 Q663 G669L626-A665 HydrophobicContact CD1-CB 4.45Å; L626-A665 WeakPolarHBondContact CD1-O 3.16Å; L626-A665 HydrophobicContact CD2-CB 3.91Å; Q663-A665 PolarHBondContact O-N 2.93Å; A665-G669 PolarHBondContact O-N 3.41Å
666L95.1Very high94.7Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-69.2-42.4176.1-173.866.7000111.6R625 L626 V629 F658 K661 Q663 R664 G669 T670R625-L666 HydrophobicContact CG-CD1 3.96Å; R625-L666 HydrophobicContact CG-CD2 4.25Å; L626-L666 HydrophobicContact CB-CD1 4.25Å; L626-L666 HydrophobicContact CD1-CD1 4.33Å; V629-L666 HydrophobicContact CG2-CD1 4.11Å; F658-L666 HydrophobicContact CB-CD2 3.89Å; F658-L666 HydrophobicContact CB-CG 4.01Å; F658-L666 HydrophobicContact CD1-CD2 4.38Å; F658-L666 HydrophobicContact CD2-CD1 3.89Å; F658-L666 HydrophobicContact CD2-CD2 4.23Å; F658-L666 HydrophobicContact CD2-CG 4.2Å; F658-L666 HydrophobicContact CE2-CD1 4.39Å; F658-L666 HydrophobicContact CG-CD1 4.41Å; F658-L666 HydrophobicContact CG-CD2 3.92Å; F658-L666 HydrophobicContact CG-CG 4.24Å; K661-L666 HydrophobicContact CB-CD2 4.5Å; K661-L666 HydrophobicContact CD-CD2 4.2Å; Q663-L666 HydrophobicContact CB-CB 3.95Å; Q663-L666 HydrophobicContact CG-CB 3.93Å; Q663-L666 WeakPolarHBondContact O-CB 3.07Å; Q663-L666 PolarHBondContact O-N 3.41Å; Q663-L666 VanDerWaalsContact O-N 3.09Å; R664-L666 PolarHBondContact O-N 3.42Å; L666-G669 PolarHBondContact O-N 3.26Å; L666-T670 WeakPolarHBondContact O-CB 3.49Å; L666-T670 PolarHBondContact O-N 3.33Å; L666-T670 PolarHBondContact O-OG1 3.33Å
667K95.2Very high94.6Very high44 Ų4443.3 Ų43.319%0.19122%0.217CC..Hα-helixtrans-59.7-49.2176-64.4-176.7-177-169.20111.6L659 K661 Q663 R664 T670 L671 L700L659-K667 WeakPolarHBondContact O-CE 3.28Å; K661-K667 WeakPolarHBondContact O-CE 3.4Å; Q663-K667 PolarHBondContact O-N 3.43Å; Q663-K667 VanDerWaalsContact O-N 3.08Å; R664-K667 PolarHBondContact O-N 3.34Å; R664-K667 VanDerWaalsContact O-N 3.15Å; K667-T670 PolarHBondContact O-N 2.93Å; K667-L671 WeakPolarHBondContact O-CG 3.39Å; K667-L671 PolarHBondContact O-N 2.91Å; K667-L700 HydrophobicContact CD-CD2 3.83Å
668L95.4Very high94.5Very high28 Ų2842.2 Ų42.215%0.14721%0.209CC..Hα-helixtrans-62.2-47.8179.2-69.1171.9000111.9R664 T670 L671 S672 V708 M711R664-L668 HydrophobicContact CG-CD1 4.29Å; R664-L668 PolarHBondContact O-N 3.36Å; L668-T670 VanDerWaalsContact C-N 3.26Å; L668-T670 PolarHBondContact O-N 2.94Å; L668-L671 PolarHBondContact O-N 3.47Å; L668-S672 PolarHBondContact O-N 3.27Å; L668-V708 HydrophobicContact CD2-CB 4.29Å; L668-V708 HydrophobicContact CD2-CG2 3.54Å; L668-V708 HydrophobicContact CG-CG2 3.9Å; L668-M711 HydrophobicContact CD2-CB 4.45Å; L668-M711 HydrophobicContact CD2-CG 3.98Å
669G95.7Very high94.3Very high13 Ų1347.1 Ų47.113%0.13423%0.231CC..Hα-helixtrans-59.1-39.7175.600000112.2V629 A665 L666 A673V629-G669 VanDerWaalsContact CG1-O 3.26Å; V629-G669 WeakPolarHBondContact CG1-O 3.5Å; A665-G669 PolarHBondContact O-N 3.41Å; L666-G669 PolarHBondContact O-N 3.26Å; G669-A673 WeakPolarHBondContact O-CB 3.45Å; G669-A673 PolarHBondContact O-N 2.88Å
670T97Very high94.1Very high0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-68.4-44.6179.2-59.60000111.8L655 F658 L659 L666 K667 L668 S672 A673 L674L655-T670 HydrophobicContact CB-CG2 3.97Å; L655-T670 HydrophobicContact CD2-CG2 4.27Å; L655-T670 WeakPolarHBondContact O-CG2 3.47Å; F658-T670 HydrophobicContact CB-CG2 4.23Å; L659-T670 HydrophobicContact CD2-CG2 3.61Å; L659-T670 HydrophobicContact CG-CG2 4Å; L666-T670 WeakPolarHBondContact O-CB 3.49Å; L666-T670 PolarHBondContact O-N 3.33Å; L666-T670 PolarHBondContact O-OG1 3.33Å; K667-T670 PolarHBondContact O-N 2.93Å; L668-T670 VanDerWaalsContact C-N 3.26Å; L668-T670 PolarHBondContact O-N 2.94Å; T670-S672 VanDerWaalsContact C-N 3.34Å; T670-S672 PolarHBondContact O-N 3.02Å; T670-A673 WeakPolarHBondContact O-CB 3.43Å; T670-A673 PolarHBondContact O-N 3.27Å; T670-L674 HydrophobicContact CG2-CD1 3.87Å; T670-L674 HydrophobicContact CG2-CG 4.33Å; T670-L674 WeakPolarHBondContact O-CB 3.49Å; T670-L674 VanDerWaalsContact O-CG 3.28Å; T670-L674 WeakPolarHBondContact O-CG 3.44Å; T670-L674 PolarHBondContact O-N 3.19Å
671L96.6Very high94Very high1 Ų144 Ų441%0.00523%0.226CC..Hα-helixtrans-61.2-42.8176.3-73.7170.7000111.5L659 K667 L668 L674 D675 L697 L700 V708 M711 A712L659-L671 HydrophobicContact CD1-CD2 4.38Å; L659-L671 HydrophobicContact CD2-CD2 3.87Å; L659-L671 HydrophobicContact CD2-CG 3.82Å; K667-L671 WeakPolarHBondContact O-CG 3.39Å; K667-L671 PolarHBondContact O-N 2.91Å; L668-L671 PolarHBondContact O-N 3.47Å; L671-L674 PolarHBondContact O-N 2.91Å; L671-D675 WeakPolarHBondContact O-CB 2.96Å; L671-D675 PolarHBondContact O-N 3.48Å; L671-L697 HydrophobicContact CD2-CD2 3.89Å; L671-L700 HydrophobicContact CD1-CD1 4.26Å; L671-L700 HydrophobicContact CD2-CD1 4.22Å; L671-V708 HydrophobicContact CD1-CG1 4.13Å; L671-M711 HydrophobicContact CB-CB 4.2Å; L671-M711 HydrophobicContact CD1-CB 3.84Å; L671-A712 HydrophobicContact CD1-CB 4.26Å; L671-A712 HydrophobicContact CD2-CB 4.38Å
672S96.1Very high93.8Very high50 Ų5042.8 Ų42.835%0.3523%0.225SC..Hα-helixtrans-62.8-43.3174.8179.30000112.1L668 T670 D675 I676L668-S672 PolarHBondContact O-N 3.27Å; T670-S672 VanDerWaalsContact C-N 3.34Å; T670-S672 PolarHBondContact O-N 3.02Å; S672-D675 PolarHBondContact O-N 3.21Å; S672-I676 PolarHBondContact O-N 3.4Å; S672-I676 VanDerWaalsContact O-N 3.13Å
673A96Very high93.6Very high2 Ų240.1 Ų40.12%0.01721%0.211CC..Hα-helixtrans-59.6-49.6175.200000111.6V629 T633 L655 G669 T670 D675 I676 L677V629-A673 HydrophobicContact CG1-CB 4.05Å; T633-A673 WeakPolarHBondContact OG1-CA 3.49Å; T633-A673 WeakPolarHBondContact OG1-CB 2.86Å; L655-A673 HydrophobicContact CD1-CB 4.47Å; G669-A673 WeakPolarHBondContact O-CB 3.45Å; G669-A673 PolarHBondContact O-N 2.88Å; T670-A673 WeakPolarHBondContact O-CB 3.43Å; T670-A673 PolarHBondContact O-N 3.27Å; A673-D675 PolarHBondContact O-N 2.93Å; A673-I676 PolarHBondContact O-N 3.34Å; A673-L677 WeakPolarHBondContact O-CB 3.2Å; A673-L677 VanDerWaalsContact O-CG 3.23Å; A673-L677 WeakPolarHBondContact O-CG 3.36Å; A673-L677 PolarHBondContact O-N 3.2Å
674L95.5Very high93.5Very high4 Ų437.7 Ų37.72%0.02120%0.203CC..Hα-helixtrans-63.6-40-179.3-70.6170.6000111.9V652 L655 L659 T670 L671 L677 I678 V693 F715V652-L674 HydrophobicContact CG1-CD2 4.13Å; L655-L674 HydrophobicContact CB-CD2 3.95Å; L655-L674 HydrophobicContact CB-CG 4.32Å; L655-L674 HydrophobicContact CD1-CD2 4.07Å; L659-L674 HydrophobicContact CD1-CD1 4.01Å; T670-L674 HydrophobicContact CG2-CD1 3.87Å; T670-L674 HydrophobicContact CG2-CG 4.33Å; T670-L674 WeakPolarHBondContact O-CB 3.49Å; T670-L674 VanDerWaalsContact O-CG 3.28Å; T670-L674 WeakPolarHBondContact O-CG 3.44Å; T670-L674 PolarHBondContact O-N 3.19Å; L671-L674 PolarHBondContact O-N 2.91Å; L674-L677 PolarHBondContact O-N 3.1Å; L674-I678 WeakPolarHBondContact O-CG1 3.45Å; L674-I678 PolarHBondContact O-N 3.32Å; L674-V693 HydrophobicContact CD1-CG1 3.86Å; L674-V693 HydrophobicContact CD1-CG2 4.13Å; L674-V693 HydrophobicContact CD2-CG2 4.03Å; L674-F715 HydrophobicContact CB-CD2 4.01Å; L674-F715 HydrophobicContact CB-CE2 3.59Å; L674-F715 HydrophobicContact CB-CZ 4.41Å
675D94.5Very high93.2Very high22 Ų2232 Ų3212%0.11818%0.182CC..Hα-helixtrans-62.4-45.5177.4-175.162.4000112L671 S672 A673 I678 K679 F715 T718L671-D675 WeakPolarHBondContact O-CB 2.96Å; L671-D675 PolarHBondContact O-N 3.48Å; S672-D675 PolarHBondContact O-N 3.21Å; A673-D675 PolarHBondContact O-N 2.93Å; D675-I678 PolarHBondContact O-N 3.44Å; D675-K679 WeakPolarHBondContact O-CG 3.5Å; D675-K679 PolarHBondContact O-N 2.83Å; D675-K679 IonicContact OD1-NZ 3.87Å; D675-K679 WeakPolarHBondContact OD2-CE 3.36Å; D675-K679 IonicContact OD2-NZ 2.66Å; D675-K679 PolarHBondContact OD2-NZ 3.15Å; D675-F715 HydrophobicContact CB-CD2 4.11Å; D675-T718 WeakPolarHBondContact OD1-CB 3.39Å; D675-T718 PolarHBondContact OD1-OG1 3.17Å
676I93.6Very high93Very high38 Ų3832.7 Ų32.720%0.19518%0.181CC..Hα-helixtrans-66.4-40176.2-71.7165.3000111.1T633 A636 S672 A673 I678 K679 N680T633-I676 HydrophobicContact CG2-CD1 3.4Å; T633-I676 VanDerWaalsContact CG2-CD1 3.4Å; A636-I676 HydrophobicContact CB-CG2 3.69Å; S672-I676 PolarHBondContact O-N 3.4Å; S672-I676 VanDerWaalsContact O-N 3.13Å; A673-I676 PolarHBondContact O-N 3.34Å; I676-I678 VanDerWaalsContact C-N 3.34Å; I676-I678 PolarHBondContact O-N 2.95Å; I676-K679 PolarHBondContact O-N 2.96Å; I676-N680 WeakPolarHBondContact O-CB 3.48Å; I676-N680 PolarHBondContact O-N 3.12Å
677L94.2Very high92.7Very high13 Ų1335 Ų357%0.06820%0.2CC..Hα-helixtrans-61.1-41.4176.2-74.7173.8000112A636 L644 L648 V652 L655 A673 L674 Y681A636-L677 HydrophobicContact CB-CD2 3.81Å; A636-L677 HydrophobicContact CB-CG 4.36Å; L644-L677 HydrophobicContact CD1-CD2 4.01Å; L648-L677 HydrophobicContact CD2-CD1 4.38Å; L648-L677 HydrophobicContact CD2-CD2 3.66Å; V652-L677 HydrophobicContact CG2-CD1 4.34Å; L655-L677 HydrophobicContact CD1-CD1 3.8Å; A673-L677 WeakPolarHBondContact O-CB 3.2Å; A673-L677 VanDerWaalsContact O-CG 3.23Å; A673-L677 WeakPolarHBondContact O-CG 3.36Å; A673-L677 PolarHBondContact O-N 3.2Å; L674-L677 PolarHBondContact O-N 3.1Å; L677-Y681 HydrophobicContact CD2-CD2 3.89Å; L677-Y681 HydrophobicContact CD2-CE2 4.28Å; L677-Y681 WeakPolarHBondContact O-CA 3.44Å; L677-Y681 WeakPolarHBondContact O-CB 3.46Å; L677-Y681 PolarHBondContact O-N 3.38Å
678I92.4Very high92.4Very high4 Ų436.3 Ų36.32%0.02122%0.219CC..Hα-helixtrans-66.8-42.3175.5-68.4-172.7000111.4L674 D675 I676 N680 S682 L685 I690 F715 T718 L719 V722L674-I678 WeakPolarHBondContact O-CG1 3.45Å; L674-I678 PolarHBondContact O-N 3.32Å; D675-I678 PolarHBondContact O-N 3.44Å; I676-I678 VanDerWaalsContact C-N 3.34Å; I676-I678 PolarHBondContact O-N 2.95Å; I678-N680 VanDerWaalsContact C-N 3.32Å; I678-N680 PolarHBondContact O-N 3.12Å; I678-S682 VanDerWaalsContact O-CB 3.31Å; I678-S682 WeakPolarHBondContact O-CB 3.49Å; I678-L685 HydrophobicContact CB-CD1 4.42Å; I678-L685 HydrophobicContact CG1-CD1 3.69Å; I678-I690 HydrophobicContact CD1-CD1 4.03Å; I678-I690 HydrophobicContact CG1-CD1 4.35Å; I678-F715 HydrophobicContact CD1-CD2 4.14Å; I678-F715 HydrophobicContact CD1-CE1 4.35Å; I678-F715 HydrophobicContact CD1-CE2 3.16Å; I678-F715 HydrophobicContact CD1-CZ 3.3Å; I678-F715 HydrophobicContact CG1-CE2 3.97Å; I678-F715 HydrophobicContact CG1-CZ 4.44Å; I678-T718 HydrophobicContact CB-CG2 4.25Å; I678-T718 HydrophobicContact CG2-CG2 3.81Å; I678-L719 HydrophobicContact CD1-CB 4.37Å; I678-L719 HydrophobicContact CD1-CD1 3.74Å; I678-V722 HydrophobicContact CG2-CB 4.07Å; I678-V722 HydrophobicContact CG2-CG1 4.21Å; I678-V722 HydrophobicContact CG2-CG2 4.49Å
679K91.5Very high92.2Very high109 Ų10936.3 Ų36.347%0.47422%0.219SC..Hα-helixtrans-60.6-41.6179.1-75.1171.2179163.20112.3D675 I676 T718D675-K679 WeakPolarHBondContact O-CG 3.5Å; D675-K679 PolarHBondContact O-N 2.83Å; D675-K679 IonicContact OD1-NZ 3.87Å; D675-K679 WeakPolarHBondContact OD2-CE 3.36Å; D675-K679 IonicContact OD2-NZ 2.66Å; D675-K679 PolarHBondContact OD2-NZ 3.15Å; I676-K679 PolarHBondContact O-N 2.96Å; K679-T718 HydrophobicContact CD-CG2 4.22Å; K679-T718 VanDerWaalsContact CE-OG1 3.26Å; K679-T718 WeakPolarHBondContact CE-OG1 3.5Å; K679-T718 HydrophobicContact CG-CG2 3.47Å; K679-T718 VanDerWaalsContact CG-CG2 3.47Å
680N91.7Very high92Very high87 Ų8735.9 Ų35.947%0.46521%0.213SC..Hα-helixtrans-103.9-22.9-167.5-66.5-12.7000114.8A636 I676 I678A636-N680 PolarHBondContact O-ND2 2.75Å; I676-N680 WeakPolarHBondContact O-CB 3.48Å; I676-N680 PolarHBondContact O-N 3.12Å; I678-N680 VanDerWaalsContact C-N 3.32Å; I678-N680 PolarHBondContact O-N 3.12Å
681Y91.5Very high91.6Very high15 Ų1537.8 Ų37.86%0.05922%0.224CC..Hα-helixtrans-130.326.6-173.4-55.3-91.6000113.4A636 I642 L644 L648 L677 D683 S684A636-Y681 HydrophobicContact CB-CE2 4.04Å; I642-Y681 VanDerWaalsContact O-CE1 3.3Å; I642-Y681 WeakPolarHBondContact O-CE1 3.33Å; I642-Y681 PolarHBondContact O-OH 3.42Å; L644-Y681 HydrophobicContact CB-CD1 4.43Å; L644-Y681 HydrophobicContact CB-CE1 4.02Å; L644-Y681 HydrophobicContact CD1-CE2 3.95Å; L644-Y681 HydrophobicContact CG-CE1 4.29Å; L648-Y681 HydrophobicContact CD1-CD1 4.42Å; L648-Y681 HydrophobicContact CD1-CG 4.2Å; L677-Y681 HydrophobicContact CD2-CD2 3.89Å; L677-Y681 HydrophobicContact CD2-CE2 4.28Å; L677-Y681 WeakPolarHBondContact O-CA 3.44Å; L677-Y681 WeakPolarHBondContact O-CB 3.46Å; L677-Y681 PolarHBondContact O-N 3.38Å; Y681-D683 PolarHBondContact O-N 3.34Å; Y681-D683 VanDerWaalsContact O-N 3.15Å; Y681-S684 PolarHBondContact O-N 3.08Å
682S87.7Confident91.3Very high39 Ų3939.4 Ų39.427%0.27324%0.237SC..G310 helixtrans-56.5-28.7-178.549.70000114.8I678 S684 V722I678-S682 VanDerWaalsContact O-CB 3.31Å; I678-S682 WeakPolarHBondContact O-CB 3.49Å; S682-S684 PolarHBondContact O-N 3.17Å; S682-V722 WeakPolarHBondContact OG-CG1 3.4Å
683D87.7Confident91.2Very high110 Ų11037.1 Ų37.159%0.58822%0.221SC*.G310 helixtrans-63.8-20.6176.466.8-23.8000113.7R645 Y681R645-D683 IonicContact CZ-OD2 3.15Å; R645-D683 IonicContact NE-OD2 2.69Å; R645-D683 IonicContact NH2-OD2 3.5Å; R645-D683 PolarHBondContact NH2-OD2 3.02Å; Y681-D683 PolarHBondContact O-N 3.34Å; Y681-D683 VanDerWaalsContact O-N 3.15Å
684S88.1Confident90.9Very high32 Ų3237.2 Ų37.222%0.22422%0.221CC..G310 helixtrans-109.7-7.2-171.3-51.50000112.9R645 Y681 S682R645-S684 WeakPolarHBondContact CD-OG 3.41Å; R645-S684 VanDerWaalsContact CG-OG 3.31Å; R645-S684 WeakPolarHBondContact CG-OG 3.33Å; R645-S684 PolarHBondContact NE-OG 3.17Å; R645-S684 VanDerWaalsContact NE-OG 3.09Å; Y681-S684 PolarHBondContact O-N 3.08Å; S682-S684 PolarHBondContact O-N 3.17Å
685L88.9Confident90.7Very high9 Ų942.4 Ų42.45%0.04725%0.249CC..  trans-87.8122.8179.6-61.1178.5000110.3L648 V652 I678 I690L648-L685 HydrophobicContact CD1-CD2 4.4Å; V652-L685 HydrophobicContact CG2-CD2 3.83Å; I678-L685 HydrophobicContact CB-CD1 4.42Å; I678-L685 HydrophobicContact CG1-CD1 3.69Å; L685-I690 HydrophobicContact CB-CD1 4.12Å; L685-I690 HydrophobicContact CB-CG1 4.43Å; L685-I690 HydrophobicContact CD1-CD1 3.95Å
686T89.3Confident90.6Very high67 Ų6743.1 Ų43.141%0.41125%0.252SS..  trans-83.2155.6176.8680000111.4A688 M689 I690T686-A688 PolarHBondContact O-N 3.12Å; T686-M689 HydrophobicContact CG2-CE 3.8Å; T686-M689 HydrophobicContact CG2-SD 4.22Å; T686-M689 WeakPolarHBondContact O-CB 3.28Å; T686-M689 PolarHBondContact O-N 3.12Å; T686-M689 WeakPolarHBondContact OG1-CE 3.48Å; T686-M689 VanDerWaalsContact OG1-CG 3.25Å; T686-M689 WeakPolarHBondContact OG1-CG 3.5Å; T686-M689 PolarHBondContact OG1-N 3.01Å; T686-M689 PolarHBondContact OG1-SD 3.41Å; T686-M689 VanDerWaalsContact OG1-SD 3.41Å; T686-I690 PolarHBondContact O-N 3.22Å; T686-I690 VanDerWaalsContact O-N 3.16Å
687A87.5Confident90.6Very high48 Ų4841.3 Ų41.340%0.39724%0.242SC..Hα-helixtrans-53.9-38.6175.300000112.5M689 I690 D691A687-M689 VanDerWaalsContact C-N 3.32Å; A687-M689 PolarHBondContact O-N 3.14Å; A687-I690 PolarHBondContact O-N 3.19Å; A687-D691 WeakPolarHBondContact O-CB 3.49Å; A687-D691 PolarHBondContact O-N 3.25Å
688A89.2Confident90.5Very high71 Ų7141.6 Ų41.659%0.58725%0.245SC*.Hα-helixtrans-63.7-34.7177.200000113.2T686 A692T686-A688 PolarHBondContact O-N 3.12Å; A688-A692 PolarHBondContact O-N 3.5Å; A688-A692 VanDerWaalsContact O-N 3.15Å
689M91.6Very high90.5Very high28 Ų2845.9 Ų45.914%0.13827%0.273CS..Hα-helixtrans-70.2-42.7176.4-66.7163.1-16500111.3V652 T686 A687 A692 V693V652-M689 HydrophobicContact CB-CB 4.41Å; V652-M689 HydrophobicContact CG1-CB 3.96Å; T686-M689 HydrophobicContact CG2-CE 3.8Å; T686-M689 HydrophobicContact CG2-SD 4.22Å; T686-M689 WeakPolarHBondContact O-CB 3.28Å; T686-M689 PolarHBondContact O-N 3.12Å; T686-M689 WeakPolarHBondContact OG1-CE 3.48Å; T686-M689 VanDerWaalsContact OG1-CG 3.25Å; T686-M689 WeakPolarHBondContact OG1-CG 3.5Å; T686-M689 PolarHBondContact OG1-N 3.01Å; T686-M689 PolarHBondContact OG1-SD 3.41Å; T686-M689 VanDerWaalsContact OG1-SD 3.41Å; A687-M689 VanDerWaalsContact C-N 3.32Å; A687-M689 PolarHBondContact O-N 3.14Å; M689-A692 PolarHBondContact O-N 3.24Å; M689-V693 PolarHBondContact O-N 3.13Å
690I90.9Very high90.6Very high4 Ų441 Ų412%0.02125%0.252CS..Hα-helixtrans-65.5-42.1176.6-60.9-57.8000110.6I678 L685 T686 A687 A692 V693 L694 L719I678-I690 HydrophobicContact CD1-CD1 4.03Å; I678-I690 HydrophobicContact CG1-CD1 4.35Å; L685-I690 HydrophobicContact CB-CD1 4.12Å; L685-I690 HydrophobicContact CB-CG1 4.43Å; L685-I690 HydrophobicContact CD1-CD1 3.95Å; T686-I690 PolarHBondContact O-N 3.22Å; T686-I690 VanDerWaalsContact O-N 3.16Å; A687-I690 PolarHBondContact O-N 3.19Å; I690-A692 VanDerWaalsContact C-N 3.33Å; I690-A692 PolarHBondContact O-N 3.31Å; I690-V693 WeakPolarHBondContact O-CB 3.24Å; I690-V693 PolarHBondContact O-N 3.33Å; I690-V693 VanDerWaalsContact O-N 3.1Å; I690-L694 HydrophobicContact CG2-CD1 3.97Å; I690-L694 HydrophobicContact CG2-CG 4.16Å; I690-L694 WeakPolarHBondContact O-CG 3.31Å; I690-L694 PolarHBondContact O-N 2.97Å; I690-L719 HydrophobicContact CD1-CD1 4.29Å; I690-L719 HydrophobicContact CG2-CD1 3.76Å; I690-L719 HydrophobicContact CG2-CD2 4.14Å
691D89.3Confident90.7Very high41 Ų4136.9 Ų36.922%0.21923%0.23CC..Hα-helixtrans-57.3-45.4176.8-77.3-25.1000111.9A687 V693 L694 D695 K729A687-D691 WeakPolarHBondContact O-CB 3.49Å; A687-D691 PolarHBondContact O-N 3.25Å; D691-V693 PolarHBondContact O-N 3.34Å; D691-L694 PolarHBondContact O-N 3.06Å; D691-L694 VanDerWaalsContact O-N 3.16Å; D691-D695 VanDerWaalsContact O-CG 3.31Å; D691-D695 PolarHBondContact O-N 3.36Å; D691-K729 WeakPolarHBondContact OD1-CD 3.5Å; D691-K729 IonicContact OD1-NZ 3.8Å; D691-K729 PolarHBondContact OD1-NZ 2.99Å; D691-K729 IonicContact OD2-NZ 3.16Å; D691-K729 PolarHBondContact OD2-NZ 2.96Å
692A90.6Very high90.7Very high35 Ų3537.9 Ų37.929%0.28924%0.239SC..Hα-helixtrans-60.9-32.5177.100000113.1A656 A688 M689 I690A656-A692 HydrophobicContact CB-CB 4.42Å; A688-A692 PolarHBondContact O-N 3.5Å; A688-A692 VanDerWaalsContact O-N 3.15Å; M689-A692 PolarHBondContact O-N 3.24Å; I690-A692 VanDerWaalsContact C-N 3.33Å; I690-A692 PolarHBondContact O-N 3.31Å
693V92.9Very high90.7Very high1 Ų140.3 Ų40.31%0.00625%0.246CC..Hα-helixtrans-73.1-47.6173.8177.70000110.4V652 A656 L659 L674 M689 I690 D691 D695 E696 L697 F715V652-V693 HydrophobicContact CG1-CG2 4.04Å; A656-V693 HydrophobicContact CB-CB 4.47Å; A656-V693 HydrophobicContact CB-CG2 3.83Å; L659-V693 HydrophobicContact CD1-CG1 4.2Å; L674-V693 HydrophobicContact CD1-CG1 3.86Å; L674-V693 HydrophobicContact CD1-CG2 4.13Å; L674-V693 HydrophobicContact CD2-CG2 4.03Å; M689-V693 PolarHBondContact O-N 3.13Å; I690-V693 WeakPolarHBondContact O-CB 3.24Å; I690-V693 PolarHBondContact O-N 3.33Å; I690-V693 VanDerWaalsContact O-N 3.1Å; D691-V693 PolarHBondContact O-N 3.34Å; V693-D695 VanDerWaalsContact C-N 3.27Å; V693-D695 PolarHBondContact O-N 3.21Å; V693-E696 PolarHBondContact O-N 2.99Å; V693-E696 VanDerWaalsContact O-N 3.1Å; V693-L697 HydrophobicContact CG1-CG 4.48Å; V693-L697 WeakPolarHBondContact O-CG 3.21Å; V693-L697 PolarHBondContact O-N 2.6Å; V693-F715 HydrophobicContact CG1-CE1 3.71Å; V693-F715 HydrophobicContact CG1-CZ 3.6Å
694L91.3Very high90.8Very high4 Ų440.4 Ų40.42%0.02126%0.255CS..Hα-helixtrans-59.2-36.5-178.2-73.1178.7000112.6I690 D691 E696 L697 P698 L716 L719 I734I690-L694 HydrophobicContact CG2-CD1 3.97Å; I690-L694 HydrophobicContact CG2-CG 4.16Å; I690-L694 WeakPolarHBondContact O-CG 3.31Å; I690-L694 PolarHBondContact O-N 2.97Å; D691-L694 PolarHBondContact O-N 3.06Å; D691-L694 VanDerWaalsContact O-N 3.16Å; L694-E696 PolarHBondContact O-N 3.39Å; L694-L697 HydrophobicContact CD2-CD1 3.96Å; L694-L697 PolarHBondContact O-N 2.8Å; L694-P698 VanDerWaalsContact O-CD 3.29Å; L694-P698 WeakPolarHBondContact O-CD 3.46Å; L694-L716 HydrophobicContact CD2-CD2 3.97Å; L694-L719 HydrophobicContact CD1-CD2 4.29Å; L694-L719 HydrophobicContact CD2-CD2 3.61Å; L694-L719 HydrophobicContact CG-CD2 4.23Å; L694-I734 HydrophobicContact CB-CD1 4.34Å; L694-I734 HydrophobicContact CD2-CD1 3.84Å
695D90.6Very high91Very high113 Ų11340.6 Ų40.660%0.60425%0.254SS*.THydrogen-bonded Turntrans-64.6-26.1178.7-70.9-19.4000112.9D691 V693D691-D695 VanDerWaalsContact O-CG 3.31Å; D691-D695 PolarHBondContact O-N 3.36Å; V693-D695 VanDerWaalsContact C-N 3.27Å; V693-D695 PolarHBondContact O-N 3.21Å
696E93.2Very high91.1Very high38 Ų3842 Ų4218%0.17826%0.26CS..THydrogen-bonded Turntrans-95.4-7.8-177.5-58.9-76.2-171.400113.1L659 R660 V693 L694L659-E696 HydrophobicContact CB-CB 4.04Å; L659-E696 HydrophobicContact CD1-CB 4.36Å; R660-E696 WeakPolarHBondContact CB-OE2 3.27Å; R660-E696 WeakPolarHBondContact CD-OE1 3.45Å; R660-E696 IonicContact CZ-OE1 3.36Å; R660-E696 IonicContact NE-OE1 2.73Å; R660-E696 IonicContact NH1-OE1 2.88Å; R660-E696 PolarHBondContact NH1-OE1 3.26Å; V693-E696 PolarHBondContact O-N 2.99Å; V693-E696 VanDerWaalsContact O-N 3.1Å; L694-E696 PolarHBondContact O-N 3.39Å
697L93Very high91.3Very high0 Ų042.7 Ų42.70%026%0.259CS..SBendtrans-76.8-39.3-177.6-70.2-177.3000116.6L659 L671 V693 L694 P699 L700 A712 F715 L716L659-L697 HydrophobicContact CD1-CD2 4.06Å; L671-L697 HydrophobicContact CD2-CD2 3.89Å; V693-L697 HydrophobicContact CG1-CG 4.48Å; V693-L697 WeakPolarHBondContact O-CG 3.21Å; V693-L697 PolarHBondContact O-N 2.6Å; L694-L697 HydrophobicContact CD2-CD1 3.96Å; L694-L697 PolarHBondContact O-N 2.8Å; L697-P699 VanDerWaalsContact C-CD 3.46Å; L697-L700 HydrophobicContact CD2-CD1 4.04Å; L697-L700 VanDerWaalsContact O-CB 3.28Å; L697-L700 WeakPolarHBondContact O-CB 3.44Å; L697-L700 PolarHBondContact O-N 3.13Å; L697-A712 HydrophobicContact CD2-CB 4.44Å; L697-F715 HydrophobicContact CD1-CD1 3.82Å; L697-F715 HydrophobicContact CD1-CE1 3.83Å; L697-F715 HydrophobicContact CD2-CD1 4.5Å; L697-L716 HydrophobicContact CD1-CD2 3.56Å; L697-L716 HydrophobicContact CD1-CG 4.06Å
698P92.6Very high91.7Very high19 Ų1940.7 Ų40.712%0.12324%0.242CC..G310 helixtrans-48.6-47.9-175.8-26.331.6000114.9L694 L700 I701 I734 E737L694-P698 VanDerWaalsContact O-CD 3.29Å; L694-P698 WeakPolarHBondContact O-CD 3.46Å; P698-L700 PolarHBondContact O-N 3.26Å; P698-L700 VanDerWaalsContact O-N 3.14Å; P698-I701 PolarHBondContact O-N 3.14Å; P698-I701 VanDerWaalsContact O-N 3.17Å; P698-I734 HydrophobicContact CG-CG1 3.86Å; P698-E737 HydrophobicContact CB-CG 4.38Å
699P92.1Very high91.9Very high93 Ų9337.3 Ų37.360%0.60421%0.214SC*.G310 helixtrans-69.2-11.8-179.829.2-36.6000114.1L697L697-P699 VanDerWaalsContact C-CD 3.46Å
700L92.6Very high92.1Very high6 Ų638.2 Ų38.23%0.03122%0.218CC..G310 helixtrans-82.7-23.9175.6-57.9-173.7000112.8L659 K667 L671 L697 P698 S702 V708 S709 A712L659-L700 HydrophobicContact CB-CD1 4.07Å; L659-L700 HydrophobicContact CD1-CD1 4.35Å; L659-L700 HydrophobicContact CD2-CD1 4Å; L659-L700 HydrophobicContact CG-CD1 4.35Å; K667-L700 HydrophobicContact CD-CD2 3.83Å; L671-L700 HydrophobicContact CD1-CD1 4.26Å; L671-L700 HydrophobicContact CD2-CD1 4.22Å; L697-L700 HydrophobicContact CD2-CD1 4.04Å; L697-L700 VanDerWaalsContact O-CB 3.28Å; L697-L700 WeakPolarHBondContact O-CB 3.44Å; L697-L700 PolarHBondContact O-N 3.13Å; P698-L700 PolarHBondContact O-N 3.26Å; P698-L700 VanDerWaalsContact O-N 3.14Å; L700-S702 PolarHBondContact O-N 2.83Å; L700-V708 HydrophobicContact CB-CG1 4.02Å; L700-V708 HydrophobicContact CD2-CG1 4.16Å; L700-V708 HydrophobicContact CG-CG1 4.49Å; L700-S709 PolarHBondContact O-OG 3.08Å; L700-S709 VanDerWaalsContact O-OG 3.07Å; L700-A712 HydrophobicContact CB-CB 4.43Å
701I93.3Very high92.3Very high2 Ų240.5 Ų40.51%0.0123%0.229CC..SBendtrans-87.985.8-178.8-55.4174000107.5P698 A712 L716 I734 E737 L738 L741P698-I701 PolarHBondContact O-N 3.14Å; P698-I701 VanDerWaalsContact O-N 3.17Å; I701-A712 HydrophobicContact CG1-CB 4.27Å; I701-L716 HydrophobicContact CD1-CD1 3.87Å; I701-I734 HydrophobicContact CD1-CG2 3.86Å; I701-E737 HydrophobicContact CB-CB 4.12Å; I701-E737 HydrophobicContact CG2-CB 4.1Å; I701-L738 HydrophobicContact CD1-CD2 3.96Å; I701-L738 HydrophobicContact CD1-CG 4.09Å; I701-L738 HydrophobicContact CG2-CD2 3.78Å; I701-L738 HydrophobicContact CG2-CG 4.27Å; I701-L741 HydrophobicContact CG2-CB 4.42Å; I701-L741 HydrophobicContact CG2-CD2 3.85Å
702S91.6Very high92.6Very high35 Ų3538.5 Ų38.525%0.24522%0.218CC..SBendtrans-148.1165.1-179.672.50000112.7L700 S704 S709L700-S702 PolarHBondContact O-N 2.83Å; S702-S704 PolarHBondContact O-N 2.64Å; S702-S704 PolarHBondContact OG-N 3.15Å; S702-S704 PolarHBondContact OG-OG 2.85Å; S702-S709 PolarHBondContact N-OG 3.07Å; S702-S709 PolarHBondContact O-OG 3.4Å
703E89.5Confident92.8Very high90 Ų9036.9 Ų36.942%0.42121%0.205SC..THydrogen-bonded Turntrans-70.6-15.8174.6-57.3-172.3164.800113.2D705 L741 S744 L746E703-D705 VanDerWaalsContact C-N 3.32Å; E703-D705 PolarHBondContact O-N 3.18Å; E703-L741 HydrophobicContact CG-CD1 3.93Å; E703-S744 WeakPolarHBondContact CG-OG 3.39Å; E703-S744 WeakPolarHBondContact OE1-CA 3.26Å; E703-S744 WeakPolarHBondContact OE1-CB 3.31Å; E703-S744 PolarHBondContact OE1-OG 3.33Å; E703-L746 HydrophobicContact CB-CD1 4.33Å
704S89.5Confident92.9Very high112 Ų11238.6 Ų38.678%0.78322%0.217SC*.THydrogen-bonded Turntrans-67.4-30.6-175.568.70000113.5S702S702-S704 PolarHBondContact O-N 2.64Å; S702-S704 PolarHBondContact OG-N 3.15Å; S702-S704 PolarHBondContact OG-OG 2.85Å
705D91.1Very high93Very high36 Ų3638.5 Ų38.519%0.19322%0.216CC..  trans-14588.2175.9-168.4-20.8000110.2R664 E703 H707 V708 S709R664-D705 WeakPolarHBondContact CD-OD2 3.45Å; R664-D705 IonicContact CZ-OD1 2.7Å; R664-D705 IonicContact CZ-OD2 3.72Å; R664-D705 IonicContact NE-OD1 2.74Å; R664-D705 IonicContact NE-OD2 2.89Å; R664-D705 PolarHBondContact NE-OD2 3.4Å; R664-D705 IonicContact NH2-OD1 3.3Å; R664-D705 PolarHBondContact NH2-OD1 2.96Å; R664-D705 IonicContact NH2-OD2 3.85Å; E703-D705 VanDerWaalsContact C-N 3.32Å; E703-D705 PolarHBondContact O-N 3.18Å; D705-H707 PolarHBondContact O-N 2.89Å; D705-H707 PolarHBondContact OD1-N 2.87Å; D705-V708 HydrophobicContact CB-CB 4.1Å; D705-V708 HydrophobicContact CB-CG2 4.22Å; D705-V708 VanDerWaalsContact CG-CG2 3.44Å; D705-V708 PolarHBondContact O-N 2.89Å; D705-V708 PolarHBondContact OD1-N 2.9Å; D705-V708 WeakPolarHBondContact OD2-CG2 3.29Å; D705-S709 PolarHBondContact O-N 3.12Å; D705-S709 PolarHBondContact O-OG 2.95Å
706M92.3Very high93.1Very high38 Ų3833.1 Ų33.119%0.18719%0.187CC..Hα-helixtrans-60.9-27.9-175.1-167.658.66400113Q710 L741 L746 L747 A751M706-Q710 WeakPolarHBondContact O-CB 3.46Å; M706-Q710 PolarHBondContact O-N 2.85Å; M706-L741 HydrophobicContact CE-CD1 3.95Å; M706-L741 HydrophobicContact SD-CD1 4.37Å; M706-L746 HydrophobicContact CE-CB 3.81Å; M706-L747 HydrophobicContact SD-CD1 3.9Å; M706-A751 HydrophobicContact CG-CB 3.56Å; M706-A751 HydrophobicContact SD-CB 3.52Å; M706-A751 VanDerWaalsContact SD-CB 3.52Å
707H93.4Very high93.1Very high82 Ų8231.7 Ų31.738%0.3818%0.181SC..Hα-helixtrans-76.5-40.4178.8-173.461.6000112.1D705 S709 Q710 M711D705-H707 PolarHBondContact O-N 2.89Å; D705-H707 PolarHBondContact OD1-N 2.87Å; H707-S709 VanDerWaalsContact C-N 3.32Å; H707-Q710 WeakPolarHBondContact O-CB 3.2Å; H707-Q710 PolarHBondContact O-N 3.38Å; H707-M711 WeakPolarHBondContact O-CG 3.43Å; H707-M711 PolarHBondContact O-N 3.05Å
708V94.6Very high93.1Very high6 Ų632.3 Ų32.34%0.03619%0.185CC..Hα-helixtrans-62.3-42.7170.9171.60000110.3R664 L668 L671 L700 D705 M711 A712R664-V708 HydrophobicContact CG-CG2 4.43Å; L668-V708 HydrophobicContact CD2-CB 4.29Å; L668-V708 HydrophobicContact CD2-CG2 3.54Å; L668-V708 HydrophobicContact CG-CG2 3.9Å; L671-V708 HydrophobicContact CD1-CG1 4.13Å; L700-V708 HydrophobicContact CB-CG1 4.02Å; L700-V708 HydrophobicContact CD2-CG1 4.16Å; L700-V708 HydrophobicContact CG-CG1 4.49Å; D705-V708 HydrophobicContact CB-CB 4.1Å; D705-V708 HydrophobicContact CB-CG2 4.22Å; D705-V708 VanDerWaalsContact CG-CG2 3.44Å; D705-V708 PolarHBondContact O-N 2.89Å; D705-V708 PolarHBondContact OD1-N 2.9Å; D705-V708 WeakPolarHBondContact OD2-CG2 3.29Å; V708-M711 PolarHBondContact O-N 3.37Å; V708-A712 WeakPolarHBondContact O-CB 3.18Å; V708-A712 PolarHBondContact O-N 3.3Å
709S94.4Very high93Very high0 Ų031.4 Ų31.40%018%0.179CC..Hα-helixtrans-58.3-47.1173.4-67.90000112L700 S702 D705 H707 M711 A712 I713L700-S709 PolarHBondContact O-OG 3.08Å; L700-S709 VanDerWaalsContact O-OG 3.07Å; S702-S709 PolarHBondContact N-OG 3.07Å; S702-S709 PolarHBondContact O-OG 3.4Å; D705-S709 PolarHBondContact O-N 3.12Å; D705-S709 PolarHBondContact O-OG 2.95Å; H707-S709 VanDerWaalsContact C-N 3.32Å; S709-M711 VanDerWaalsContact C-N 3.35Å; S709-M711 PolarHBondContact O-N 3.09Å; S709-A712 PolarHBondContact O-N 3.34Å; S709-I713 WeakPolarHBondContact O-CB 3.18Å; S709-I713 WeakPolarHBondContact O-CD1 3.47Å; S709-I713 WeakPolarHBondContact O-CG1 3.22Å; S709-I713 PolarHBondContact O-N 3.35Å
710Q95.2Very high92.9Very high48 Ų4827.1 Ų27.122%0.22415%0.152CC..Hα-helixtrans-55.7-48.1175.5179.1-173.9-6.100111.5M706 H707 I713 S714 A751 A754M706-Q710 WeakPolarHBondContact O-CB 3.46Å; M706-Q710 PolarHBondContact O-N 2.85Å; H707-Q710 WeakPolarHBondContact O-CB 3.2Å; H707-Q710 PolarHBondContact O-N 3.38Å; Q710-I713 PolarHBondContact O-N 3.14Å; Q710-S714 PolarHBondContact O-N 3.43Å; Q710-S714 PolarHBondContact O-OG 3.03Å; Q710-A751 HydrophobicContact CB-CB 4.02Å; Q710-A751 HydrophobicContact CG-CB 4.47Å; Q710-A754 HydrophobicContact CG-CB 4Å
711M95.1Very high92.7Very high51 Ų5133.6 Ų33.625%0.25118%0.179SC..Hα-helixtrans-66-39.2179.6-67.6-64.894.400112.6L668 L671 H707 V708 S709 S714 F715L668-M711 HydrophobicContact CD2-CB 4.45Å; L668-M711 HydrophobicContact CD2-CG 3.98Å; L671-M711 HydrophobicContact CB-CB 4.2Å; L671-M711 HydrophobicContact CD1-CB 3.84Å; H707-M711 WeakPolarHBondContact O-CG 3.43Å; H707-M711 PolarHBondContact O-N 3.05Å; V708-M711 PolarHBondContact O-N 3.37Å; S709-M711 VanDerWaalsContact C-N 3.35Å; S709-M711 PolarHBondContact O-N 3.09Å; M711-S714 PolarHBondContact O-N 3.48Å; M711-F715 WeakPolarHBondContact O-CB 3.33Å; M711-F715 PolarHBondContact O-N 3.42Å
712A95.4Very high92.5Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-63.7-41.3174.400000111.5L671 L697 L700 I701 V708 S709 F715 L716L671-A712 HydrophobicContact CD1-CB 4.26Å; L671-A712 HydrophobicContact CD2-CB 4.38Å; L697-A712 HydrophobicContact CD2-CB 4.44Å; L700-A712 HydrophobicContact CB-CB 4.43Å; I701-A712 HydrophobicContact CG1-CB 4.27Å; V708-A712 WeakPolarHBondContact O-CB 3.18Å; V708-A712 PolarHBondContact O-N 3.3Å; S709-A712 PolarHBondContact O-N 3.34Å; A712-F715 WeakPolarHBondContact O-CB 3.33Å; A712-F715 PolarHBondContact O-N 3.28Å; A712-L716 VanDerWaalsContact O-CG 3.3Å; A712-L716 WeakPolarHBondContact O-CG 3.44Å; A712-L716 PolarHBondContact O-N 2.66Å
713I94.8Very high92.1Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-66.2-43.7176-65160.8000111S709 Q710 F715 L716 T717 L738 L741 A754 M755 F758S709-I713 WeakPolarHBondContact O-CB 3.18Å; S709-I713 WeakPolarHBondContact O-CD1 3.47Å; S709-I713 WeakPolarHBondContact O-CG1 3.22Å; S709-I713 PolarHBondContact O-N 3.35Å; Q710-I713 PolarHBondContact O-N 3.14Å; I713-F715 VanDerWaalsContact C-N 3.31Å; I713-F715 PolarHBondContact O-N 3.49Å; I713-L716 WeakPolarHBondContact O-CB 3.42Å; I713-L716 PolarHBondContact O-N 2.73Å; I713-L716 VanDerWaalsContact O-N 3.15Å; I713-T717 PolarHBondContact O-N 2.69Å; I713-T717 PolarHBondContact O-OG1 3.42Å; I713-T717 VanDerWaalsContact O-OG1 3.06Å; I713-L738 HydrophobicContact CD1-CD2 4.1Å; I713-L738 HydrophobicContact CG1-CD2 3.61Å; I713-L741 HydrophobicContact CD1-CD2 3.93Å; I713-A754 HydrophobicContact CB-CB 4.25Å; I713-A754 VanDerWaalsContact CG2-C 3.42Å; I713-A754 HydrophobicContact CG2-CB 3.93Å; I713-A754 VanDerWaalsContact CG2-O 3.25Å; I713-A754 WeakPolarHBondContact CG2-O 3.48Å; I713-M755 HydrophobicContact CD1-CE 3.69Å; I713-M755 HydrophobicContact CD1-SD 4.38Å; I713-F758 HydrophobicContact CG2-CB 3.78Å; I713-F758 HydrophobicContact CG2-CG 4.38Å
714S94.6Very high91.6Very high37 Ų3736 Ų3626%0.25919%0.194SC..Hα-helixtrans-59.3-42.3174.9-66.30000111.8Q710 M711 T717 T718Q710-S714 PolarHBondContact O-N 3.43Å; Q710-S714 PolarHBondContact O-OG 3.03Å; M711-S714 PolarHBondContact O-N 3.48Å; S714-T717 WeakPolarHBondContact O-CB 3.46Å; S714-T717 PolarHBondContact O-N 3.04Å; S714-T718 PolarHBondContact O-N 3.05Å; S714-T718 PolarHBondContact O-OG1 3.35Å
715F94.3Very high91Very high2 Ų234.6 Ų34.61%0.00918%0.184CC..Hα-helixtrans-59.5-45.7172.7171.5-94.8000112L674 D675 I678 V693 L697 M711 A712 I713 T717 T718 L719L674-F715 HydrophobicContact CB-CD2 4.01Å; L674-F715 HydrophobicContact CB-CE2 3.59Å; L674-F715 HydrophobicContact CB-CZ 4.41Å; D675-F715 HydrophobicContact CB-CD2 4.11Å; I678-F715 HydrophobicContact CD1-CD2 4.14Å; I678-F715 HydrophobicContact CD1-CE1 4.35Å; I678-F715 HydrophobicContact CD1-CE2 3.16Å; I678-F715 HydrophobicContact CD1-CZ 3.3Å; I678-F715 HydrophobicContact CG1-CE2 3.97Å; I678-F715 HydrophobicContact CG1-CZ 4.44Å; V693-F715 HydrophobicContact CG1-CE1 3.71Å; V693-F715 HydrophobicContact CG1-CZ 3.6Å; L697-F715 HydrophobicContact CD1-CD1 3.82Å; L697-F715 HydrophobicContact CD1-CE1 3.83Å; L697-F715 HydrophobicContact CD2-CD1 4.5Å; M711-F715 WeakPolarHBondContact O-CB 3.33Å; M711-F715 PolarHBondContact O-N 3.42Å; A712-F715 WeakPolarHBondContact O-CB 3.33Å; A712-F715 PolarHBondContact O-N 3.28Å; I713-F715 VanDerWaalsContact C-N 3.31Å; I713-F715 PolarHBondContact O-N 3.49Å; F715-T717 VanDerWaalsContact C-N 3.32Å; F715-T717 PolarHBondContact O-N 3.2Å; F715-T718 WeakPolarHBondContact O-CB 3.3Å; F715-T718 PolarHBondContact O-N 3.27Å; F715-L719 WeakPolarHBondContact O-CB 3.45Å; F715-L719 PolarHBondContact O-N 3.49Å
716L93.2Very high90.3Very high0 Ų033.3 Ų33.30%018%0.178CC..Hα-helixtrans-62.7-37.3176.4-70.8172.4000112.4L694 L697 I701 A712 I713 L719 A720 I730 I734 L738 F758L694-L716 HydrophobicContact CD2-CD2 3.97Å; L697-L716 HydrophobicContact CD1-CD2 3.56Å; L697-L716 HydrophobicContact CD1-CG 4.06Å; I701-L716 HydrophobicContact CD1-CD1 3.87Å; A712-L716 VanDerWaalsContact O-CG 3.3Å; A712-L716 WeakPolarHBondContact O-CG 3.44Å; A712-L716 PolarHBondContact O-N 2.66Å; I713-L716 WeakPolarHBondContact O-CB 3.42Å; I713-L716 PolarHBondContact O-N 2.73Å; I713-L716 VanDerWaalsContact O-N 3.15Å; L716-L719 PolarHBondContact O-N 2.84Å; L716-A720 WeakPolarHBondContact O-CB 3.49Å; L716-A720 PolarHBondContact O-N 3.36Å; L716-I730 HydrophobicContact CD2-CD1 3.94Å; L716-I734 HydrophobicContact CD1-CG2 3.61Å; L716-I734 HydrophobicContact CD2-CG2 4.36Å; L716-L738 HydrophobicContact CD1-CD1 4.22Å; L716-F758 HydrophobicContact CB-CD2 3.82Å; L716-F758 HydrophobicContact CB-CE2 3.7Å
717T93.2Very high89.3Confident9 Ų931.5 Ų31.56%0.05517%0.169CC..Hα-helixtrans-61.6-45.8173.8-60.90000111.1I713 S714 F715 A720 K721 D757 F758 A761I713-T717 PolarHBondContact O-N 2.69Å; I713-T717 PolarHBondContact O-OG1 3.42Å; I713-T717 VanDerWaalsContact O-OG1 3.06Å; S714-T717 WeakPolarHBondContact O-CB 3.46Å; S714-T717 PolarHBondContact O-N 3.04Å; F715-T717 VanDerWaalsContact C-N 3.32Å; F715-T717 PolarHBondContact O-N 3.2Å; T717-A720 PolarHBondContact O-N 2.94Å; T717-K721 HydrophobicContact CG2-CD 4.41Å; T717-K721 WeakPolarHBondContact O-CG 3.4Å; T717-K721 PolarHBondContact O-N 3.09Å; T717-K721 VanDerWaalsContact O-N 3.13Å; T717-D757 HydrophobicContact CG2-CB 4.18Å; T717-F758 WeakPolarHBondContact OG1-CA 3.23Å; T717-F758 VanDerWaalsContact OG1-CB 3.23Å; T717-F758 WeakPolarHBondContact OG1-CB 3.18Å; T717-F758 PolarHBondContact OG1-N 3.22Å; T717-A761 HydrophobicContact CG2-CB 4.07Å
718T92.3Very high88.4Confident12 Ų1231.1 Ų31.17%0.07418%0.176CC..Hα-helixtrans-61.6-46.3175.1-61.60000110.9D675 I678 K679 S714 F715 A720 K721 V722D675-T718 WeakPolarHBondContact OD1-CB 3.39Å; D675-T718 PolarHBondContact OD1-OG1 3.17Å; I678-T718 HydrophobicContact CB-CG2 4.25Å; I678-T718 HydrophobicContact CG2-CG2 3.81Å; K679-T718 HydrophobicContact CD-CG2 4.22Å; K679-T718 VanDerWaalsContact CE-OG1 3.26Å; K679-T718 WeakPolarHBondContact CE-OG1 3.5Å; K679-T718 HydrophobicContact CG-CG2 3.47Å; K679-T718 VanDerWaalsContact CG-CG2 3.47Å; S714-T718 PolarHBondContact O-N 3.05Å; S714-T718 PolarHBondContact O-OG1 3.35Å; F715-T718 WeakPolarHBondContact O-CB 3.3Å; F715-T718 PolarHBondContact O-N 3.27Å; T718-A720 VanDerWaalsContact C-N 3.31Å; T718-A720 PolarHBondContact O-N 3.31Å; T718-K721 PolarHBondContact O-N 3.28Å; T718-V722 HydrophobicContact CG2-CG2 4.27Å; T718-V722 WeakPolarHBondContact O-CB 3.45Å; T718-V722 WeakPolarHBondContact O-CG2 3.41Å; T718-V722 PolarHBondContact O-N 3.03Å
719L91.5Very high87.3Confident0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-59.5-41.4177.7-176.770.1000111.6I678 I690 L694 F715 L716 K721 V722 Y723I678-L719 HydrophobicContact CD1-CB 4.37Å; I678-L719 HydrophobicContact CD1-CD1 3.74Å; I690-L719 HydrophobicContact CD1-CD1 4.29Å; I690-L719 HydrophobicContact CG2-CD1 3.76Å; I690-L719 HydrophobicContact CG2-CD2 4.14Å; L694-L719 HydrophobicContact CD1-CD2 4.29Å; L694-L719 HydrophobicContact CD2-CD2 3.61Å; L694-L719 HydrophobicContact CG-CD2 4.23Å; F715-L719 WeakPolarHBondContact O-CB 3.45Å; F715-L719 PolarHBondContact O-N 3.49Å; L716-L719 PolarHBondContact O-N 2.84Å; L719-K721 VanDerWaalsContact C-N 3.34Å; L719-K721 PolarHBondContact O-N 2.96Å; L719-V722 PolarHBondContact O-N 3.49Å; L719-Y723 CarbonylContact O-C 3.52Å; L719-Y723 WeakPolarHBondContact O-CA 3.49Å; L719-Y723 PolarHBondContact O-N 2.99Å
720A89.5Confident86.4Confident3 Ų335.6 Ų35.63%0.02520%0.195CC..Hα-helixtrans-64.9-35.7177.300000113.5L716 T717 T718 L727 A761L716-A720 WeakPolarHBondContact O-CB 3.49Å; L716-A720 PolarHBondContact O-N 3.36Å; T717-A720 PolarHBondContact O-N 2.94Å; T718-A720 VanDerWaalsContact C-N 3.31Å; T718-A720 PolarHBondContact O-N 3.31Å; A720-L727 HydrophobicContact CB-CD1 4.09Å; A720-L727 HydrophobicContact CB-CD2 3.81Å; A720-A761 HydrophobicContact CB-CB 4.1Å
721K89Confident85.3Confident142 Ų14236.1 Ų36.162%0.61720%0.203SC*.Hα-helixtrans-75.2-36.7177.5-70176.4-177.7177.60112.7T717 T718 L719 A761T717-K721 HydrophobicContact CG2-CD 4.41Å; T717-K721 WeakPolarHBondContact O-CG 3.4Å; T717-K721 PolarHBondContact O-N 3.09Å; T717-K721 VanDerWaalsContact O-N 3.13Å; T718-K721 PolarHBondContact O-N 3.28Å; L719-K721 VanDerWaalsContact C-N 3.34Å; L719-K721 PolarHBondContact O-N 2.96Å; K721-A761 HydrophobicContact CG-CB 3.92Å
722V88Confident84.5Confident55 Ų5535.2 Ų35.233%0.33321%0.207SC..Hα-helixtrans-100.5-36-168.7-177.70000112.9I678 S682 T718 L719I678-V722 HydrophobicContact CG2-CB 4.07Å; I678-V722 HydrophobicContact CG2-CG1 4.21Å; I678-V722 HydrophobicContact CG2-CG2 4.49Å; S682-V722 WeakPolarHBondContact OG-CG1 3.4Å; T718-V722 HydrophobicContact CG2-CG2 4.27Å; T718-V722 WeakPolarHBondContact O-CB 3.45Å; T718-V722 WeakPolarHBondContact O-CG2 3.41Å; T718-V722 PolarHBondContact O-N 3.03Å; L719-V722 PolarHBondContact O-N 3.49Å
723Y83.1Confident84.1Confident61 Ų6138.3 Ų38.324%0.23923%0.229CC..  trans-13363.5-175.1-150.8-88.3000112L719 S725 S726L719-Y723 CarbonylContact O-C 3.52Å; L719-Y723 WeakPolarHBondContact O-CA 3.49Å; L719-Y723 PolarHBondContact O-N 2.99Å; Y723-S725 WeakPolarHBondContact CD1-OG 3.32Å; Y723-S725 WeakPolarHBondContact CE1-OG 3.47Å; Y723-S725 PolarHBondContact O-N 3.45Å; Y723-S725 VanDerWaalsContact O-N 3.08Å; Y723-S726 WeakPolarHBondContact CD1-OG 3.45Å; Y723-S726 VanDerWaalsContact CE1-OG 3.23Å; Y723-S726 WeakPolarHBondContact CE1-OG 3.5Å; Y723-S726 PolarHBondContact O-N 3.35Å
724P79.1Confident83.8Confident62 Ų6238.5 Ų38.540%0.40323%0.23SC..G310 helixtrans-63.5-19.3-172.123.4-33.7000114.6S726 L727 T765P724-S726 VanDerWaalsContact C-N 3.29Å; P724-S726 PolarHBondContact O-N 3.43Å; P724-L727 HydrophobicContact CB-CD1 3.93Å; P724-L727 VanDerWaalsContact O-CB 3.24Å; P724-L727 WeakPolarHBondContact O-CB 3.43Å; P724-L727 WeakPolarHBondContact O-CD1 3.45Å; P724-L727 WeakPolarHBondContact O-CG 3.37Å; P724-L727 PolarHBondContact O-N 3.43Å; P724-T765 HydrophobicContact CB-CG2 4.24Å
725S77.6Confident83.5Confident83 Ų8336.9 Ų36.958%0.5822%0.218SC*.G310 helixtrans-65.5-28.2179.256.10000113.6Y723 L727Y723-S725 WeakPolarHBondContact CD1-OG 3.32Å; Y723-S725 WeakPolarHBondContact CE1-OG 3.47Å; Y723-S725 PolarHBondContact O-N 3.45Å; Y723-S725 VanDerWaalsContact O-N 3.08Å; S725-L727 VanDerWaalsContact C-N 3.25Å; S725-L727 PolarHBondContact O-N 2.95Å
726S75.6Confident83.3Confident9 Ų942.1 Ų42.16%0.06325%0.246CC..G310 helixtrans-78.1-7.5176.8-65.90000113.7Y723 P724 S728 K729Y723-S726 WeakPolarHBondContact CD1-OG 3.45Å; Y723-S726 VanDerWaalsContact CE1-OG 3.23Å; Y723-S726 WeakPolarHBondContact CE1-OG 3.5Å; Y723-S726 PolarHBondContact O-N 3.35Å; P724-S726 VanDerWaalsContact C-N 3.29Å; P724-S726 PolarHBondContact O-N 3.43Å; S726-S728 PolarHBondContact O-N 3.44Å; S726-K729 PolarHBondContact O-N 3.03Å
727L72.3Confident83.2Confident0 Ų046.5 Ų46.50%027%0.267CS..G310 helixtrans-68-18.3-174.8-64.2176000114A720 P724 S725 K729 I730 L762 T765A720-L727 HydrophobicContact CB-CD1 4.09Å; A720-L727 HydrophobicContact CB-CD2 3.81Å; P724-L727 HydrophobicContact CB-CD1 3.93Å; P724-L727 VanDerWaalsContact O-CB 3.24Å; P724-L727 WeakPolarHBondContact O-CB 3.43Å; P724-L727 WeakPolarHBondContact O-CD1 3.45Å; P724-L727 WeakPolarHBondContact O-CG 3.37Å; P724-L727 PolarHBondContact O-N 3.43Å; S725-L727 VanDerWaalsContact C-N 3.25Å; S725-L727 PolarHBondContact O-N 2.95Å; L727-K729 PolarHBondContact O-N 3.01Å; L727-I730 HydrophobicContact CD2-CD1 3.31Å; L727-I730 HydrophobicContact CD2-CG1 4.21Å; L727-I730 WeakPolarHBondContact O-CB 3.43Å; L727-I730 PolarHBondContact O-N 3.42Å; L727-L762 HydrophobicContact CD1-CD1 4.37Å; L727-L762 HydrophobicContact CD2-CD1 4.33Å; L727-T765 HydrophobicContact CD1-CG2 3.29Å
728S73Confident83.2Confident74 Ų7446 Ų4652%0.51726%0.264SS..G310 helixtrans-56.1-34.9177.458.80000112.7S726 S731S726-S728 PolarHBondContact O-N 3.44Å; S728-S731 PolarHBondContact O-OG 3.3Å
729K72.7Confident83Confident100 Ų10046 Ų4644%0.43526%0.263SS..G310 helixtrans-76.2-22.9176-76-174.9176.7174.50114.2D691 S726 L727 S731 G732D691-K729 WeakPolarHBondContact OD1-CD 3.5Å; D691-K729 IonicContact OD1-NZ 3.8Å; D691-K729 PolarHBondContact OD1-NZ 2.99Å; D691-K729 IonicContact OD2-NZ 3.16Å; D691-K729 PolarHBondContact OD2-NZ 2.96Å; S726-K729 PolarHBondContact O-N 3.03Å; L727-K729 PolarHBondContact O-N 3.01Å; K729-S731 PolarHBondContact O-N 3.3Å; K729-G732 PolarHBondContact O-N 2.94Å
730I75.3Confident82.9Confident0 Ų047.7 Ų47.70%028%0.28CS..THydrogen-bonded Turntrans-63.7-30.1177-61.7-168.7000110.9L716 L727 G732 I734 L735 F758L716-I730 HydrophobicContact CD2-CD1 3.94Å; L727-I730 HydrophobicContact CD2-CD1 3.31Å; L727-I730 HydrophobicContact CD2-CG1 4.21Å; L727-I730 WeakPolarHBondContact O-CB 3.43Å; L727-I730 PolarHBondContact O-N 3.42Å; I730-G732 PolarHBondContact O-N 3.35Å; I730-I734 HydrophobicContact CG1-CD1 4.39Å; I730-I734 HydrophobicContact CG2-CB 4.26Å; I730-I734 HydrophobicContact CG2-CG2 4.06Å; I730-L735 WeakPolarHBondContact O-CB 3.48Å; I730-L735 PolarHBondContact O-N 3.28Å; I730-L735 VanDerWaalsContact O-N 3.11Å; I730-F758 HydrophobicContact CG2-CZ 4.18Å
731S71.8Confident83Confident58 Ų5847.8 Ų47.841%0.40628%0.28SS..THydrogen-bonded Turntrans-58.5-9.8178.670.70000115.3S728 K729S728-S731 PolarHBondContact O-OG 3.3Å; K729-S731 PolarHBondContact O-N 3.3Å
732G79.2Confident83.1Confident32 Ų3241 Ų4133%0.3325%0.251SS..THydrogen-bonded Turntrans-93.9-119.2176.200000114.2K729 I730 I734 N736K729-G732 PolarHBondContact O-N 2.94Å; I730-G732 PolarHBondContact O-N 3.35Å; G732-I734 PolarHBondContact O-N 3.45Å; G732-N736 PolarHBondContact O-N 3.38Å; G732-N736 PolarHBondContact O-ND2 3.13Å
733S85.3Confident83.1Confident66 Ų6641.6 Ų41.646%0.46225%0.247SC..Hα-helixtrans-61.5-43.1-171.651.10000113.4L735 N736 E737S733-L735 PolarHBondContact O-N 3.18Å; S733-N736 WeakPolarHBondContact O-CB 3.47Å; S733-N736 PolarHBondContact O-N 2.63Å; S733-E737 PolarHBondContact O-N 3.16Å
734I89.8Confident83.3Confident4 Ų438.7 Ų38.72%0.02124%0.236CC..Hα-helixtrans-60.4-48.8-176.8-62.7174000110.9L694 P698 I701 L716 I730 G732 N736 E737 L738L694-I734 HydrophobicContact CB-CD1 4.34Å; L694-I734 HydrophobicContact CD2-CD1 3.84Å; P698-I734 HydrophobicContact CG-CG1 3.86Å; I701-I734 HydrophobicContact CD1-CG2 3.86Å; L716-I734 HydrophobicContact CD1-CG2 3.61Å; L716-I734 HydrophobicContact CD2-CG2 4.36Å; I730-I734 HydrophobicContact CG1-CD1 4.39Å; I730-I734 HydrophobicContact CG2-CB 4.26Å; I730-I734 HydrophobicContact CG2-CG2 4.06Å; G732-I734 PolarHBondContact O-N 3.45Å; I734-N736 VanDerWaalsContact C-N 3.29Å; I734-N736 PolarHBondContact O-N 2.63Å; I734-E737 PolarHBondContact O-N 3.24Å; I734-L738 HydrophobicContact CG2-CD1 3.96Å; I734-L738 HydrophobicContact CG2-CG 4.43Å; I734-L738 WeakPolarHBondContact O-CG 3.45Å; I734-L738 PolarHBondContact O-N 3.42Å
735L88.4Confident83.7Confident2 Ų237.8 Ų37.81%0.0123%0.23CC..Hα-helixtrans-65.3-32.8179.4-172.862.1000112.2I730 S733 I739 F759 L762 L770 L775 M778I730-L735 WeakPolarHBondContact O-CB 3.48Å; I730-L735 PolarHBondContact O-N 3.28Å; I730-L735 VanDerWaalsContact O-N 3.11Å; S733-L735 PolarHBondContact O-N 3.18Å; L735-I739 HydrophobicContact CD1-CD1 4.16Å; L735-I739 HydrophobicContact CD1-CG1 4.1Å; L735-I739 HydrophobicContact CG-CG1 4.27Å; L735-I739 WeakPolarHBondContact O-CA 3.49Å; L735-I739 WeakPolarHBondContact O-CG1 3.16Å; L735-I739 PolarHBondContact O-N 3.1Å; L735-F759 HydrophobicContact CD1-CE1 4.33Å; L735-L762 HydrophobicContact CD1-CD2 4.4Å; L735-L770 HydrophobicContact CD2-CD2 3.54Å; L735-L775 HydrophobicContact CD2-CD2 4.42Å; L735-M778 HydrophobicContact CD2-CE 3.85Å; L735-M778 HydrophobicContact CD2-SD 3.6Å; L735-M778 HydrophobicContact CG-SD 4.37Å
736N88.7Confident84.2Confident113 Ų11338.7 Ų38.760%0.60423%0.228SC*.Hα-helixtrans-65-41.8174.4-72.6-29.4000112.2G732 S733 I734 I739 G740G732-N736 PolarHBondContact O-N 3.38Å; G732-N736 PolarHBondContact O-ND2 3.13Å; S733-N736 WeakPolarHBondContact O-CB 3.47Å; S733-N736 PolarHBondContact O-N 2.63Å; I734-N736 VanDerWaalsContact C-N 3.29Å; I734-N736 PolarHBondContact O-N 2.63Å; N736-I739 CarbonylContact O-C 3.12Å; N736-I739 VanDerWaalsContact O-CA 3.32Å; N736-I739 WeakPolarHBondContact O-CA 3.43Å; N736-I739 PolarHBondContact O-N 3.48Å; N736-G740 PolarHBondContact O-N 3.46Å
737E92Very high84.9Confident91 Ų9138.2 Ų38.243%0.42523%0.225SC..Hα-helixtrans-67.7-41.9176.4-63.6-55.2152.300111.9P698 I701 S733 I734 I739 G740 L741P698-E737 HydrophobicContact CB-CG 4.38Å; I701-E737 HydrophobicContact CB-CB 4.12Å; I701-E737 HydrophobicContact CG2-CB 4.1Å; S733-E737 PolarHBondContact O-N 3.16Å; I734-E737 PolarHBondContact O-N 3.24Å; E737-I739 VanDerWaalsContact C-N 3.28Å; E737-I739 PolarHBondContact O-N 3.3Å; E737-G740 PolarHBondContact O-N 3.45Å; E737-L741 WeakPolarHBondContact O-CB 3.47Å; E737-L741 PolarHBondContact O-N 2.96Å
738L92.4Very high85.6Confident0 Ų043.3 Ų43.30%025%0.248CC..Hα-helixtrans-60.1-42.6171.6-67.3170.3000111.1I701 I713 L716 I734 G740 L741 V742 M755 F758I701-L738 HydrophobicContact CD1-CD2 3.96Å; I701-L738 HydrophobicContact CD1-CG 4.09Å; I701-L738 HydrophobicContact CG2-CD2 3.78Å; I701-L738 HydrophobicContact CG2-CG 4.27Å; I713-L738 HydrophobicContact CD1-CD2 4.1Å; I713-L738 HydrophobicContact CG1-CD2 3.61Å; L716-L738 HydrophobicContact CD1-CD1 4.22Å; I734-L738 HydrophobicContact CG2-CD1 3.96Å; I734-L738 HydrophobicContact CG2-CG 4.43Å; I734-L738 WeakPolarHBondContact O-CG 3.45Å; I734-L738 PolarHBondContact O-N 3.42Å; L738-G740 PolarHBondContact O-N 3.26Å; L738-L741 PolarHBondContact O-N 2.92Å; L738-V742 WeakPolarHBondContact O-CG2 3.47Å; L738-V742 PolarHBondContact O-N 3.47Å; L738-M755 HydrophobicContact CB-CE 4.34Å; L738-M755 HydrophobicContact CB-SD 4.33Å; L738-M755 HydrophobicContact CD2-CE 3.74Å; L738-M755 HydrophobicContact CD2-SD 3.87Å; L738-F758 HydrophobicContact CD1-CD1 3.95Å; L738-F758 HydrophobicContact CD1-CE1 3.36Å; L738-F758 HydrophobicContact CD1-CZ 3.79Å
739I89.3Confident86.4Confident11 Ų1142.6 Ų42.66%0.05625%0.253CS..Hα-helixtrans-39.9-62.7165.748.6-166.4000111.6L735 N736 E737 F759 M778 L779L735-I739 HydrophobicContact CD1-CD1 4.16Å; L735-I739 HydrophobicContact CD1-CG1 4.1Å; L735-I739 HydrophobicContact CG-CG1 4.27Å; L735-I739 WeakPolarHBondContact O-CA 3.49Å; L735-I739 WeakPolarHBondContact O-CG1 3.16Å; L735-I739 PolarHBondContact O-N 3.1Å; N736-I739 CarbonylContact O-C 3.12Å; N736-I739 VanDerWaalsContact O-CA 3.32Å; N736-I739 WeakPolarHBondContact O-CA 3.43Å; N736-I739 PolarHBondContact O-N 3.48Å; E737-I739 VanDerWaalsContact C-N 3.28Å; E737-I739 PolarHBondContact O-N 3.3Å; I739-F759 HydrophobicContact CD1-CE1 4.05Å; I739-F759 HydrophobicContact CD1-CZ 3.83Å; I739-M778 HydrophobicContact CD1-CB 3.9Å; I739-L779 HydrophobicContact CD1-CD2 3.77Å; I739-L779 HydrophobicContact CD1-CG 4.02Å
740G89.1Confident87.2Confident35 Ų3539.6 Ų39.636%0.36125%0.251SS..Hα-helixtrans-59.6-46.1178.300000112.3N736 E737 L738 V742 R743N736-G740 PolarHBondContact O-N 3.46Å; E737-G740 PolarHBondContact O-N 3.45Å; L738-G740 PolarHBondContact O-N 3.26Å; G740-V742 PolarHBondContact O-N 3.21Å; G740-R743 WeakPolarHBondContact O-CB 3.12Å; G740-R743 PolarHBondContact O-N 3.48Å
741L91.4Very high88Confident5 Ų539.8 Ų39.83%0.02625%0.252CS..Hα-helixtrans-66.4-34.8-176.1-169.765.2000113.2I701 E703 M706 I713 E737 L738 R743 S744 L747 M755I701-L741 HydrophobicContact CG2-CB 4.42Å; I701-L741 HydrophobicContact CG2-CD2 3.85Å; E703-L741 HydrophobicContact CG-CD1 3.93Å; M706-L741 HydrophobicContact CE-CD1 3.95Å; M706-L741 HydrophobicContact SD-CD1 4.37Å; I713-L741 HydrophobicContact CD1-CD2 3.93Å; E737-L741 WeakPolarHBondContact O-CB 3.47Å; E737-L741 PolarHBondContact O-N 2.96Å; L738-L741 PolarHBondContact O-N 2.92Å; L741-R743 PolarHBondContact O-N 3.3Å; L741-R743 VanDerWaalsContact O-N 3.14Å; L741-S744 WeakPolarHBondContact O-CB 3.32Å; L741-S744 PolarHBondContact O-N 3.48Å; L741-L747 HydrophobicContact CG-CD1 4.45Å; L741-M755 HydrophobicContact CB-CE 4.14Å; L741-M755 HydrophobicContact CD2-CE 3.91Å; L741-M755 HydrophobicContact CG-CE 4.22Å
742V90.7Very high89Confident1 Ų137.5 Ų37.51%0.00624%0.235CC..Hα-helixtrans-57.5-26.8172.6171.30000111.8L738 G740 S744 L747 M755 F759 L779 S798 I799L738-V742 WeakPolarHBondContact O-CG2 3.47Å; L738-V742 PolarHBondContact O-N 3.47Å; G740-V742 PolarHBondContact O-N 3.21Å; V742-S744 VanDerWaalsContact C-N 3.32Å; V742-L747 HydrophobicContact CG2-CD2 4.46Å; V742-M755 HydrophobicContact CG2-CE 3.9Å; V742-M755 HydrophobicContact CG2-CG 3.84Å; V742-M755 HydrophobicContact CG2-SD 3.94Å; V742-F759 HydrophobicContact CG2-CE2 3.88Å; V742-F759 HydrophobicContact CG2-CZ 4.37Å; V742-L779 HydrophobicContact CG1-CD2 4.07Å; V742-L779 HydrophobicContact CG2-CD2 4.31Å; V742-S798 WeakPolarHBondContact O-CB 3.33Å; V742-I799 HydrophobicContact CG1-CG1 3.68Å
743R87.4Confident89.7Confident67 Ų6739 Ų3925%0.25324%0.24SC..THydrogen-bonded Turntrans-86.8-4.7178.3-57.1177.3-169.4150.424.5112.9G740 L741 L790 S795G740-R743 WeakPolarHBondContact O-CB 3.12Å; G740-R743 PolarHBondContact O-N 3.48Å; L741-R743 PolarHBondContact O-N 3.3Å; L741-R743 VanDerWaalsContact O-N 3.14Å; R743-L790 HydrophobicContact CB-CD2 3.87Å; R743-L790 HydrophobicContact CG-CD2 3.86Å; R743-S795 WeakPolarHBondContact O-CB 3.45Å; R743-S795 PolarHBondContact O-OG 3.35Å
744S88.6Confident90.2Very high0 Ų036.1 Ų36.10%022%0.221CC..  trans-64.8136179.3-171.90000112.1E703 L741 V742 L746 L747E703-S744 WeakPolarHBondContact CG-OG 3.39Å; E703-S744 WeakPolarHBondContact OE1-CA 3.26Å; E703-S744 WeakPolarHBondContact OE1-CB 3.31Å; E703-S744 PolarHBondContact OE1-OG 3.33Å; L741-S744 WeakPolarHBondContact O-CB 3.32Å; L741-S744 PolarHBondContact O-N 3.48Å; V742-S744 VanDerWaalsContact C-N 3.32Å; S744-L746 PolarHBondContact O-N 3.16Å; S744-L746 PolarHBondContact OG-N 3.41Å; S744-L746 VanDerWaalsContact OG-N 3.09Å; S744-L747 PolarHBondContact O-N 2.99Å
745P86.3Confident90.4Very high42 Ų4235.9 Ų35.927%0.27322%0.22SC..THydrogen-bonded Turntrans-65.6-19.9167.728-33.6000113Q748 H792P745-Q748 PolarHBondContact O-NE2 3.08Å; P745-H792 HydrophobicContact CB-CB 3.74Å; P745-H792 VanDerWaalsContact CB-CG 3.48Å; P745-H792 WeakPolarHBondContact CB-ND1 3.38Å
746L88.6Confident90.7Very high102 Ų10237.3 Ų37.353%0.53423%0.227SC..THydrogen-bonded Turntrans-88-10.5-175.8-56.8178000113E703 M706 S744 Q748E703-L746 HydrophobicContact CB-CD1 4.33Å; M706-L746 HydrophobicContact CE-CB 3.81Å; S744-L746 PolarHBondContact O-N 3.16Å; S744-L746 PolarHBondContact OG-N 3.41Å; S744-L746 VanDerWaalsContact OG-N 3.09Å; L746-Q748 PolarHBondContact O-N 3.46Å
747L89.8Confident90.9Very high0 Ų035 Ų350%022%0.215CC..  trans-75.296.8-179.6-174.668.3000111.1M706 L741 V742 S744 A751 L752 M755M706-L747 HydrophobicContact SD-CD1 3.9Å; L741-L747 HydrophobicContact CG-CD1 4.45Å; V742-L747 HydrophobicContact CG2-CD2 4.46Å; S744-L747 PolarHBondContact O-N 2.99Å; L747-A751 HydrophobicContact CD1-CB 3.79Å; L747-L752 HydrophobicContact CD1-CB 4.49Å; L747-L752 HydrophobicContact CD2-CD1 3.93Å; L747-L752 HydrophobicContact CG-CB 4.16Å; L747-L752 HydrophobicContact CG-CD1 4.13Å; L747-M755 HydrophobicContact CD2-CE 4.38Å; L747-M755 HydrophobicContact CD2-CG 4.44Å
748Q88.1Confident91Very high106 Ų10630.7 Ų30.750%0.49520%0.195SC..  trans-143.9173.4179.9-53.2-172.712.600110.6P745 L746 G750 A751 L752 Q794P745-Q748 PolarHBondContact O-NE2 3.08Å; L746-Q748 PolarHBondContact O-N 3.46Å; Q748-G750 PolarHBondContact O-N 3.35Å; Q748-A751 PolarHBondContact O-N 3.42Å; Q748-L752 PolarHBondContact O-N 3.22Å; Q748-Q794 HydrophobicContact CG-CG 4.05Å
749G89.2Confident91Very high60 Ų6030.7 Ų30.762%0.61920%0.195SC*.Hα-helixtrans56-134173.700000114.4A751 L752 S753G749-A751 VanDerWaalsContact C-N 3.33Å; G749-A751 PolarHBondContact O-N 3.06Å; G749-L752 PolarHBondContact O-N 2.91Å; G749-S753 PolarHBondContact O-N 3.49Å
750G90.3Very high91.2Very high37 Ų3732 Ų3238%0.38120%0.2SC..Hα-helixtrans-61.3-33.9-175.800000114.7Q748 S753 A754Q748-G750 PolarHBondContact O-N 3.35Å; G750-S753 PolarHBondContact O-N 2.96Å; G750-A754 PolarHBondContact O-N 2.97Å
751A92.3Very high91.3Very high3 Ų330.8 Ų30.83%0.02519%0.187CC..Hα-helixtrans-68.6-40.5177.400000112.2M706 Q710 L747 Q748 G749 A754 M755M706-A751 HydrophobicContact CG-CB 3.56Å; M706-A751 HydrophobicContact SD-CB 3.52Å; M706-A751 VanDerWaalsContact SD-CB 3.52Å; Q710-A751 HydrophobicContact CB-CB 4.02Å; Q710-A751 HydrophobicContact CG-CB 4.47Å; L747-A751 HydrophobicContact CD1-CB 3.79Å; Q748-A751 PolarHBondContact O-N 3.42Å; G749-A751 VanDerWaalsContact C-N 3.33Å; G749-A751 PolarHBondContact O-N 3.06Å; A751-A754 PolarHBondContact O-N 3.49Å; A751-M755 PolarHBondContact O-N 3.22Å
752L92.8Very high91.2Very high10 Ų1030.5 Ų30.55%0.05219%0.186CC..Hα-helixtrans-64.1-45172.8-179.459.2000110.5L747 Q748 G749 A754 M755 L756 K801L747-L752 HydrophobicContact CD1-CB 4.49Å; L747-L752 HydrophobicContact CD2-CD1 3.93Å; L747-L752 HydrophobicContact CG-CB 4.16Å; L747-L752 HydrophobicContact CG-CD1 4.13Å; Q748-L752 PolarHBondContact O-N 3.22Å; G749-L752 PolarHBondContact O-N 2.91Å; L752-A754 VanDerWaalsContact C-N 3.34Å; L752-A754 PolarHBondContact O-N 3.28Å; L752-M755 WeakPolarHBondContact O-CB 3.47Å; L752-M755 PolarHBondContact O-N 2.8Å; L752-M755 VanDerWaalsContact O-N 3.1Å; L752-L756 HydrophobicContact CD1-CD2 4.35Å; L752-L756 HydrophobicContact CD1-CG 4.33Å; L752-L756 HydrophobicContact CG-CD1 4.4Å; L752-L756 HydrophobicContact CG-CG 4.43Å; L752-L756 VanDerWaalsContact O-CG 3.31Å; L752-L756 WeakPolarHBondContact O-CG 3.35Å; L752-L756 PolarHBondContact O-N 3.35Å; L752-K801 HydrophobicContact CD2-CD 3.92Å
753S93.6Very high91.2Very high63 Ų6330.9 Ų30.944%0.44119%0.188SC..Hα-helixtrans-56.9-46.2176.4-165.10000112.1G749 G750 M755 L756 D757G749-S753 PolarHBondContact O-N 3.49Å; G750-S753 PolarHBondContact O-N 2.96Å; S753-M755 VanDerWaalsContact C-N 3.29Å; S753-M755 PolarHBondContact O-N 2.92Å; S753-L756 PolarHBondContact O-N 2.95Å; S753-D757 PolarHBondContact O-N 2.88Å
754A94.7Very high91.2Very high6 Ų632.6 Ų32.65%0.0521%0.205CC..Hα-helixtrans-59.5-40.2176.300000112Q710 I713 G750 A751 L752 D757 F758Q710-A754 HydrophobicContact CG-CB 4Å; I713-A754 HydrophobicContact CB-CB 4.25Å; I713-A754 VanDerWaalsContact CG2-C 3.42Å; I713-A754 HydrophobicContact CG2-CB 3.93Å; I713-A754 VanDerWaalsContact CG2-O 3.25Å; I713-A754 WeakPolarHBondContact CG2-O 3.48Å; G750-A754 PolarHBondContact O-N 2.97Å; A751-A754 PolarHBondContact O-N 3.49Å; L752-A754 VanDerWaalsContact C-N 3.34Å; L752-A754 PolarHBondContact O-N 3.28Å; A754-D757 PolarHBondContact O-N 2.96Å; A754-F758 WeakPolarHBondContact O-CB 3.46Å; A754-F758 PolarHBondContact O-N 2.98Å
755M94.7Very high91Very high0 Ų034.4 Ų34.40%022%0.217CC..Hα-helixtrans-63.6-42.9175.8-171.569.580.700112.3I713 L738 L741 V742 L747 A751 L752 S753 F758 F759I713-M755 HydrophobicContact CD1-CE 3.69Å; I713-M755 HydrophobicContact CD1-SD 4.38Å; L738-M755 HydrophobicContact CB-CE 4.34Å; L738-M755 HydrophobicContact CB-SD 4.33Å; L738-M755 HydrophobicContact CD2-CE 3.74Å; L738-M755 HydrophobicContact CD2-SD 3.87Å; L741-M755 HydrophobicContact CB-CE 4.14Å; L741-M755 HydrophobicContact CD2-CE 3.91Å; L741-M755 HydrophobicContact CG-CE 4.22Å; V742-M755 HydrophobicContact CG2-CE 3.9Å; V742-M755 HydrophobicContact CG2-CG 3.84Å; V742-M755 HydrophobicContact CG2-SD 3.94Å; L747-M755 HydrophobicContact CD2-CE 4.38Å; L747-M755 HydrophobicContact CD2-CG 4.44Å; A751-M755 PolarHBondContact O-N 3.22Å; L752-M755 WeakPolarHBondContact O-CB 3.47Å; L752-M755 PolarHBondContact O-N 2.8Å; L752-M755 VanDerWaalsContact O-N 3.1Å; S753-M755 VanDerWaalsContact C-N 3.29Å; S753-M755 PolarHBondContact O-N 2.92Å; M755-F758 WeakPolarHBondContact O-CB 3.49Å; M755-F758 PolarHBondContact O-N 3.3Å; M755-F759 HydrophobicContact CG-CD2 3.96Å; M755-F759 HydrophobicContact CG-CE2 3.71Å; M755-F759 VanDerWaalsContact O-CD2 3.27Å; M755-F759 WeakPolarHBondContact O-CD2 3.27Å; M755-F759 PolarHBondContact O-N 3.12Å; M755-F759 HydrophobicContact SD-CD2 4.2Å; M755-F759 HydrophobicContact SD-CE2 3.6Å; M755-F759 VanDerWaalsContact SD-CE2 3.6Å; M755-F759 HydrophobicContact SD-CZ 4.39Å
756L94.3Very high90.7Very high31 Ų3135 Ų3516%0.16223%0.231CC..Hα-helixtrans-64.8-41.8177.8-61.6180000111.8L752 S753 F758 F759 Q760 K801 C802 A805L752-L756 HydrophobicContact CD1-CD2 4.35Å; L752-L756 HydrophobicContact CD1-CG 4.33Å; L752-L756 HydrophobicContact CG-CD1 4.4Å; L752-L756 HydrophobicContact CG-CG 4.43Å; L752-L756 VanDerWaalsContact O-CG 3.31Å; L752-L756 WeakPolarHBondContact O-CG 3.35Å; L752-L756 PolarHBondContact O-N 3.35Å; S753-L756 PolarHBondContact O-N 2.95Å; L756-F758 VanDerWaalsContact C-N 3.32Å; L756-F759 PolarHBondContact O-N 3.32Å; L756-Q760 WeakPolarHBondContact O-CG 3.4Å; L756-Q760 PolarHBondContact O-N 2.95Å; L756-Q760 VanDerWaalsContact O-N 3.09Å; L756-Q760 PolarHBondContact O-NE2 2.91Å; L756-K801 HydrophobicContact CD1-CB 4.1Å; L756-K801 HydrophobicContact CD2-CB 3.75Å; L756-K801 WeakPolarHBondContact CD2-O 3.34Å; L756-C802 HydrophobicContact CD2-CB 4.32Å; L756-A805 HydrophobicContact CB-CB 4.24Å; L756-A805 HydrophobicContact CD2-CB 4.04Å
757D94Very high90.2Very high66 Ų6631.8 Ų31.835%0.35322%0.215SC..Hα-helixtrans-65.3-37176.1-69.1-25.3000111.7T717 S753 A754 Q760 A761T717-D757 HydrophobicContact CG2-CB 4.18Å; S753-D757 PolarHBondContact O-N 2.88Å; A754-D757 PolarHBondContact O-N 2.96Å; D757-Q760 PolarHBondContact O-N 3.26Å; D757-A761 WeakPolarHBondContact O-CB 3.34Å; D757-A761 PolarHBondContact O-N 3.43Å
758F93.8Very high89.4Confident0 Ų038.7 Ų38.70%025%0.252CS..Hα-helixtrans-62.2-51.7174.8174.8-106.2000111.6I713 L716 T717 I730 L738 A754 M755 L756 Q760 A761 L762I713-F758 HydrophobicContact CG2-CB 3.78Å; I713-F758 HydrophobicContact CG2-CG 4.38Å; L716-F758 HydrophobicContact CB-CD2 3.82Å; L716-F758 HydrophobicContact CB-CE2 3.7Å; T717-F758 WeakPolarHBondContact OG1-CA 3.23Å; T717-F758 VanDerWaalsContact OG1-CB 3.23Å; T717-F758 WeakPolarHBondContact OG1-CB 3.18Å; T717-F758 PolarHBondContact OG1-N 3.22Å; I730-F758 HydrophobicContact CG2-CZ 4.18Å; L738-F758 HydrophobicContact CD1-CD1 3.95Å; L738-F758 HydrophobicContact CD1-CE1 3.36Å; L738-F758 HydrophobicContact CD1-CZ 3.79Å; A754-F758 WeakPolarHBondContact O-CB 3.46Å; A754-F758 PolarHBondContact O-N 2.98Å; M755-F758 WeakPolarHBondContact O-CB 3.49Å; M755-F758 PolarHBondContact O-N 3.3Å; L756-F758 VanDerWaalsContact C-N 3.32Å; F758-Q760 VanDerWaalsContact C-N 3.29Å; F758-Q760 PolarHBondContact O-N 3.48Å; F758-A761 PolarHBondContact O-N 3.33Å; F758-A761 VanDerWaalsContact O-N 3.14Å; F758-L762 HydrophobicContact CE1-CB 4.5Å; F758-L762 HydrophobicContact CE1-CD2 3.81Å; F758-L762 HydrophobicContact CZ-CB 4.39Å; F758-L762 HydrophobicContact CZ-CD1 4.19Å; F758-L762 HydrophobicContact CZ-CD2 3.87Å; F758-L762 HydrophobicContact CZ-CG 4.39Å; F758-L762 VanDerWaalsContact O-CB 3.32Å; F758-L762 WeakPolarHBondContact O-CB 3.4Å; F758-L762 PolarHBondContact O-N 3.23Å
759F93Very high88.9Confident0 Ų039.5 Ų39.50%026%0.26CS..Hα-helixtrans-62.8-35.6179.6-81-65.5000112.6L735 I739 V742 M755 L756 L762 V763 L775 L779 C802 L806L735-F759 HydrophobicContact CD1-CE1 4.33Å; I739-F759 HydrophobicContact CD1-CE1 4.05Å; I739-F759 HydrophobicContact CD1-CZ 3.83Å; V742-F759 HydrophobicContact CG2-CE2 3.88Å; V742-F759 HydrophobicContact CG2-CZ 4.37Å; M755-F759 HydrophobicContact CG-CD2 3.96Å; M755-F759 HydrophobicContact CG-CE2 3.71Å; M755-F759 VanDerWaalsContact O-CD2 3.27Å; M755-F759 WeakPolarHBondContact O-CD2 3.27Å; M755-F759 PolarHBondContact O-N 3.12Å; M755-F759 HydrophobicContact SD-CD2 4.2Å; M755-F759 HydrophobicContact SD-CE2 3.6Å; M755-F759 VanDerWaalsContact SD-CE2 3.6Å; M755-F759 HydrophobicContact SD-CZ 4.39Å; L756-F759 PolarHBondContact O-N 3.32Å; F759-L762 PolarHBondContact O-N 2.61Å; F759-V763 WeakPolarHBondContact O-CG1 3.46Å; F759-V763 PolarHBondContact O-N 3.32Å; F759-L775 HydrophobicContact CD1-CD2 4.5Å; F759-L775 HydrophobicContact CE1-CD2 4.34Å; F759-L779 HydrophobicContact CE1-CD2 4.38Å; F759-L779 HydrophobicContact CE2-CD2 4.13Å; F759-L779 HydrophobicContact CZ-CD2 3.85Å; F759-C802 HydrophobicContact CD2-CB 4.23Å; F759-L806 HydrophobicContact CB-CD2 4.04Å; F759-L806 HydrophobicContact CB-CG 4.49Å; F759-L806 HydrophobicContact CD1-CD2 4.46Å
760Q92.2Very high88.5Confident37 Ų3736.7 Ų36.717%0.17323%0.23CC..Hα-helixtrans-63.1-45.4172.4-78.5168.650.500112.1L756 D757 F758 V764 A805 A809L756-Q760 WeakPolarHBondContact O-CG 3.4Å; L756-Q760 PolarHBondContact O-N 2.95Å; L756-Q760 VanDerWaalsContact O-N 3.09Å; L756-Q760 PolarHBondContact O-NE2 2.91Å; D757-Q760 PolarHBondContact O-N 3.26Å; F758-Q760 VanDerWaalsContact C-N 3.29Å; F758-Q760 PolarHBondContact O-N 3.48Å; Q760-V764 VanDerWaalsContact O-CG2 3.23Å; Q760-V764 WeakPolarHBondContact O-CG2 3.38Å; Q760-A805 HydrophobicContact CG-CB 3.95Å; Q760-A805 VanDerWaalsContact CG-O 3.28Å; Q760-A805 WeakPolarHBondContact CG-O 3.43Å; Q760-A805 VanDerWaalsContact NE2-CB 3.29Å; Q760-A809 HydrophobicContact CB-CB 4.48Å; Q760-A809 HydrophobicContact CG-CB 4.28Å
761A91.5Very high88.3Confident10 Ų1036 Ų368%0.08322%0.224CC..Hα-helixtrans-65.4-41.5176.700000111.8T717 A720 K721 D757 F758 T765T717-A761 HydrophobicContact CG2-CB 4.07Å; A720-A761 HydrophobicContact CB-CB 4.1Å; K721-A761 HydrophobicContact CG-CB 3.92Å; D757-A761 WeakPolarHBondContact O-CB 3.34Å; D757-A761 PolarHBondContact O-N 3.43Å; F758-A761 PolarHBondContact O-N 3.33Å; F758-A761 VanDerWaalsContact O-N 3.14Å; A761-T765 VanDerWaalsContact O-CG2 3.24Å; A761-T765 WeakPolarHBondContact O-CG2 3.47Å
762L90.2Very high88.1Confident0 Ų036.6 Ų36.60%023%0.225CC..Hα-helixtrans-65.2-49-176.3-171.766000112L727 L735 F758 F759 V764 T765 L770 L775L727-L762 HydrophobicContact CD1-CD1 4.37Å; L727-L762 HydrophobicContact CD2-CD1 4.33Å; L735-L762 HydrophobicContact CD1-CD2 4.4Å; F758-L762 HydrophobicContact CE1-CB 4.5Å; F758-L762 HydrophobicContact CE1-CD2 3.81Å; F758-L762 HydrophobicContact CZ-CB 4.39Å; F758-L762 HydrophobicContact CZ-CD1 4.19Å; F758-L762 HydrophobicContact CZ-CD2 3.87Å; F758-L762 HydrophobicContact CZ-CG 4.39Å; F758-L762 VanDerWaalsContact O-CB 3.32Å; F758-L762 WeakPolarHBondContact O-CB 3.4Å; F758-L762 PolarHBondContact O-N 3.23Å; F759-L762 PolarHBondContact O-N 2.61Å; L762-V764 VanDerWaalsContact C-N 3.29Å; L762-V764 PolarHBondContact O-N 3.19Å; L762-T765 WeakPolarHBondContact O-CB 2.65Å; L762-T765 PolarHBondContact O-N 3.46Å; L762-T765 VanDerWaalsContact O-N 3.11Å; L762-T765 PolarHBondContact O-OG1 3.16Å; L762-L770 HydrophobicContact CD1-CD1 4.16Å; L762-L775 HydrophobicContact CD2-CD1 4.14Å; L762-L775 HydrophobicContact CD2-CD2 3.77Å; L762-L775 HydrophobicContact CG-CD1 4.32Å
763V89.5Confident87.8Confident8 Ų840.9 Ų40.95%0.04825%0.246CC..Hα-helixtrans-66.2-32.2-175.673.20000112.5F759 T765 G766 Y772 L775 L806 A809F759-V763 WeakPolarHBondContact O-CG1 3.46Å; F759-V763 PolarHBondContact O-N 3.32Å; V763-T765 PolarHBondContact O-N 2.8Å; V763-G766 PolarHBondContact O-N 2.76Å; V763-Y772 HydrophobicContact CG2-CD2 4.28Å; V763-L775 HydrophobicContact CB-CD1 3.86Å; V763-L775 HydrophobicContact CG2-CD1 4.1Å; V763-L806 HydrophobicContact CB-CD2 3.63Å; V763-L806 HydrophobicContact CG1-CD2 3.89Å; V763-L806 HydrophobicContact CG2-CD2 3.99Å; V763-A809 HydrophobicContact CG1-CB 3.47Å; V763-A809 VanDerWaalsContact CG1-CB 3.47Å
764V88.5Confident87.6Confident103 Ų10340.3 Ų40.362%0.62424%0.238SC*.Hα-helixtrans-67.2-22.7177.5173.20000111.8Q760 L762 G766 A809Q760-V764 VanDerWaalsContact O-CG2 3.23Å; Q760-V764 WeakPolarHBondContact O-CG2 3.38Å; L762-V764 VanDerWaalsContact C-N 3.29Å; L762-V764 PolarHBondContact O-N 3.19Å; V764-G766 PolarHBondContact O-N 3.24Å; V764-A809 HydrophobicContact CG2-CB 4.02Å
765T84.4Confident87.4Confident39 Ų3940 Ų4024%0.23924%0.236CC..THydrogen-bonded Turntrans-69.3-20.9179.771.80000113.5P724 L727 A761 L762 V763 T767P724-T765 HydrophobicContact CB-CG2 4.24Å; L727-T765 HydrophobicContact CD1-CG2 3.29Å; A761-T765 VanDerWaalsContact O-CG2 3.24Å; A761-T765 WeakPolarHBondContact O-CG2 3.47Å; L762-T765 WeakPolarHBondContact O-CB 2.65Å; L762-T765 PolarHBondContact O-N 3.46Å; L762-T765 VanDerWaalsContact O-N 3.11Å; L762-T765 PolarHBondContact O-OG1 3.16Å; V763-T765 PolarHBondContact O-N 2.8Å; T765-T767 PolarHBondContact O-N 3.22Å; T765-T767 VanDerWaalsContact O-N 3.16Å; T765-T767 PolarHBondContact OG1-OG1 3.11Å
766G79.3Confident87.2Confident55 Ų5540.9 Ų40.957%0.56724%0.241SC*.  trans61.521178.600000114.5V763 V764V763-G766 PolarHBondContact O-N 2.76Å; V764-G766 PolarHBondContact O-N 3.24Å
767T79Confident87Confident33 Ų3346.7 Ų46.720%0.20226%0.26CS..  trans-64138-178.5-52.50000110.5T765 N769 L770T765-T767 PolarHBondContact O-N 3.22Å; T765-T767 VanDerWaalsContact O-N 3.16Å; T765-T767 PolarHBondContact OG1-OG1 3.11Å; T767-N769 PolarHBondContact O-N 3.14Å; T767-L770 HydrophobicContact CG2-CD1 4.16Å; T767-L770 CarbonylContact O-C 3.53Å; T767-L770 WeakPolarHBondContact O-CA 3.2Å; T767-L770 PolarHBondContact O-N 2.97Å
768N72.6Confident86.7Confident146 Ų14646.4 Ų46.478%0.78126%0.258SS*.THydrogen-bonded Turntrans-52.9136.6177.8-75.8-16.9000111.3L770N768-L770 PolarHBondContact O-N 2.85Å
769N76.3Confident86.5Confident122 Ų12246.5 Ų46.565%0.65226%0.258SS*.THydrogen-bonded Turntrans67.32.9-173.7-51.5-29.5000116T767 D774T767-N769 PolarHBondContact O-N 3.14Å; N769-D774 WeakPolarHBondContact O-CB 3.39Å
770L82Confident86.3Confident1 Ų147.1 Ų47.11%0.00526%0.262CS..  trans-122.523.7175.9-58.4174.1000110.9L735 L762 T767 N768 L775 M778L735-L770 HydrophobicContact CD2-CD2 3.54Å; L762-L770 HydrophobicContact CD1-CD1 4.16Å; T767-L770 HydrophobicContact CG2-CD1 4.16Å; T767-L770 CarbonylContact O-C 3.53Å; T767-L770 WeakPolarHBondContact O-CA 3.2Å; T767-L770 PolarHBondContact O-N 2.97Å; N768-L770 PolarHBondContact O-N 2.85Å; L770-L775 HydrophobicContact CD2-CD2 4.25Å; L770-L775 WeakPolarHBondContact O-CD1 3.49Å; L770-M778 HydrophobicContact CD2-CE 4.34Å
771G84.5Confident86Confident23 Ų2346.2 Ų46.224%0.23726%0.263CS..SBendtrans-69.6169.317400000111.9M773 D774 L775G771-M773 VanDerWaalsContact C-N 3.34Å; G771-M773 PolarHBondContact O-N 2.96Å; G771-D774 PolarHBondContact O-N 2.91Å; G771-D774 VanDerWaalsContact O-N 3.08Å; G771-L775 PolarHBondContact O-N 2.91Å
772Y88.6Confident85.5Confident15 Ų1547 Ų476%0.05927%0.266CS..Hα-helixtrans-51.6-49.4-178.2178.4-91.9000112.9V763 D774 L775 L776 L806 T807 C810 E813 V817V763-Y772 HydrophobicContact CG2-CD2 4.28Å; Y772-D774 VanDerWaalsContact C-N 3.32Å; Y772-D774 PolarHBondContact O-N 2.97Å; Y772-L775 PolarHBondContact O-N 3.36Å; Y772-L776 HydrophobicContact CE1-CD2 4.15Å; Y772-L776 WeakPolarHBondContact O-CB 3.16Å; Y772-L776 PolarHBondContact O-N 2.97Å; Y772-L806 HydrophobicContact CD2-CB 4.02Å; Y772-L806 HydrophobicContact CE2-CB 3.74Å; Y772-T807 PolarHBondContact OH-OG1 3.47Å; Y772-C810 HydrophobicContact CD2-CB 3.69Å; Y772-C810 HydrophobicContact CE2-CB 4.23Å; Y772-C810 HydrophobicContact CG-CB 4.31Å; Y772-E813 HydrophobicContact CD1-CB 3.49Å; Y772-E813 VanDerWaalsContact CD1-CB 3.49Å; Y772-E813 HydrophobicContact CD1-CG 3.74Å; Y772-E813 HydrophobicContact CD2-CB 4.41Å; Y772-E813 HydrophobicContact CE1-CB 3.42Å; Y772-E813 VanDerWaalsContact CE1-CB 3.42Å; Y772-E813 HydrophobicContact CE1-CG 4.21Å; Y772-E813 HydrophobicContact CE2-CB 4.35Å; Y772-E813 HydrophobicContact CG-CB 4.01Å; Y772-E813 HydrophobicContact CG-CG 3.97Å; Y772-V817 HydrophobicContact CE1-CG2 3.58Å; Y772-V817 WeakPolarHBondContact OH-CG2 3.44Å
773M87.7Confident85.3Confident100 Ų10047.3 Ų47.349%0.49327%0.269SS..Hα-helixtrans-69.3-28.5-178.6-68.9-63-92.900113.3G771 L776 R777G771-M773 VanDerWaalsContact C-N 3.34Å; G771-M773 PolarHBondContact O-N 2.96Å; M773-L776 HydrophobicContact SD-CD2 4.16Å; M773-R777 VanDerWaalsContact O-CB 3.28Å; M773-R777 WeakPolarHBondContact O-CB 3.4Å; M773-R777 PolarHBondContact O-N 3.48Å
774D88.4Confident85Confident51 Ų5150.5 Ų50.527%0.27328%0.28SS..Hα-helixtrans-74.3-47.3177.7-60.8-44.4000110.5N769 G771 Y772 R777 M778N769-D774 WeakPolarHBondContact O-CB 3.39Å; G771-D774 PolarHBondContact O-N 2.91Å; G771-D774 VanDerWaalsContact O-N 3.08Å; Y772-D774 VanDerWaalsContact C-N 3.32Å; Y772-D774 PolarHBondContact O-N 2.97Å; D774-R777 PolarHBondContact O-N 3.28Å; D774-R777 IonicContact OD1-NH1 2.78Å; D774-R777 PolarHBondContact OD1-NH1 3.47Å; D774-M778 HydrophobicContact CB-CE 4.07Å; D774-M778 WeakPolarHBondContact O-CE 3.35Å; D774-M778 WeakPolarHBondContact O-CG 3.47Å; D774-M778 PolarHBondContact O-N 2.84Å
775L89.8Confident84.5Confident0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-62.4-42.8175-66.5174.8000111.6L735 F759 L762 V763 L770 G771 Y772 R777 M778 L779 L806L735-L775 HydrophobicContact CD2-CD2 4.42Å; F759-L775 HydrophobicContact CD1-CD2 4.5Å; F759-L775 HydrophobicContact CE1-CD2 4.34Å; L762-L775 HydrophobicContact CD2-CD1 4.14Å; L762-L775 HydrophobicContact CD2-CD2 3.77Å; L762-L775 HydrophobicContact CG-CD1 4.32Å; V763-L775 HydrophobicContact CB-CD1 3.86Å; V763-L775 HydrophobicContact CG2-CD1 4.1Å; L770-L775 HydrophobicContact CD2-CD2 4.25Å; L770-L775 WeakPolarHBondContact O-CD1 3.49Å; G771-L775 PolarHBondContact O-N 2.91Å; Y772-L775 PolarHBondContact O-N 3.36Å; L775-R777 VanDerWaalsContact C-N 3.35Å; L775-R777 PolarHBondContact O-N 2.85Å; L775-M778 HydrophobicContact CD2-CE 3.88Å; L775-M778 HydrophobicContact CG-CE 4.5Å; L775-M778 PolarHBondContact O-N 2.88Å; L775-L779 WeakPolarHBondContact O-CB 3.39Å; L775-L779 WeakPolarHBondContact O-CG 3.47Å; L775-L779 PolarHBondContact O-N 3.11Å; L775-L806 HydrophobicContact CB-CD1 3.88Å; L775-L806 HydrophobicContact CB-CD2 4.25Å; L775-L806 HydrophobicContact CD1-CD2 3.84Å
776L90.9Very high83.8Confident19 Ų1952.9 Ų52.910%0.09929%0.289CS..Hα-helixtrans-58.1-47.8174.7-176.967.8000111Y772 M773 M778 L779 T780 V803 V817Y772-L776 HydrophobicContact CE1-CD2 4.15Å; Y772-L776 WeakPolarHBondContact O-CB 3.16Å; Y772-L776 PolarHBondContact O-N 2.97Å; M773-L776 HydrophobicContact SD-CD2 4.16Å; L776-M778 VanDerWaalsContact C-N 3.33Å; L776-M778 PolarHBondContact O-N 3.17Å; L776-L779 PolarHBondContact O-N 2.91Å; L776-T780 HydrophobicContact CD1-CG2 4.02Å; L776-T780 WeakPolarHBondContact O-CB 3.4Å; L776-T780 WeakPolarHBondContact O-CG2 3.36Å; L776-T780 PolarHBondContact O-N 3.23Å; L776-T780 PolarHBondContact O-OG1 3.38Å; L776-V803 HydrophobicContact CD1-CB 4.38Å; L776-V803 HydrophobicContact CD1-CG1 3.8Å; L776-V803 HydrophobicContact CD1-CG2 3.77Å; L776-V817 HydrophobicContact CD1-CG1 4.49Å; L776-V817 HydrophobicContact CD2-CG1 4.14Å; L776-V817 HydrophobicContact CD2-CG2 3.55Å
777R89.8Confident82.7Confident152 Ų15254.6 Ų54.657%0.57429%0.292SS*.Hα-helixtrans-65.3-35.2178.6-168.1-173.2-60121.22.1112.2M773 D774 L775 G781M773-R777 VanDerWaalsContact O-CB 3.28Å; M773-R777 WeakPolarHBondContact O-CB 3.4Å; M773-R777 PolarHBondContact O-N 3.48Å; D774-R777 PolarHBondContact O-N 3.28Å; D774-R777 IonicContact OD1-NH1 2.78Å; D774-R777 PolarHBondContact OD1-NH1 3.47Å; L775-R777 VanDerWaalsContact C-N 3.35Å; L775-R777 PolarHBondContact O-N 2.85Å; R777-G781 WeakPolarHBondContact O-CA 3.18Å; R777-G781 PolarHBondContact O-N 3.27Å
778M88.1Confident81.5Confident61 Ų6156.5 Ų56.530%0.330%0.303SS..Hα-helixtrans-68.7-40.2176.6-74.7-174.9-93.800112.5L735 I739 L770 D774 L775 L776L735-M778 HydrophobicContact CD2-CE 3.85Å; L735-M778 HydrophobicContact CD2-SD 3.6Å; L735-M778 HydrophobicContact CG-SD 4.37Å; I739-M778 HydrophobicContact CD1-CB 3.9Å; L770-M778 HydrophobicContact CD2-CE 4.34Å; D774-M778 HydrophobicContact CB-CE 4.07Å; D774-M778 WeakPolarHBondContact O-CE 3.35Å; D774-M778 WeakPolarHBondContact O-CG 3.47Å; D774-M778 PolarHBondContact O-N 2.84Å; L775-M778 HydrophobicContact CD2-CE 3.88Å; L775-M778 HydrophobicContact CG-CE 4.5Å; L775-M778 PolarHBondContact O-N 2.88Å; L776-M778 VanDerWaalsContact C-N 3.33Å; L776-M778 PolarHBondContact O-N 3.17Å
779L89.3Confident80.5Confident2 Ų254 Ų541%0.0130%0.303CS..Hα-helixtrans-70.1-46177.8-74.1169.8000112.2I739 V742 F759 L775 L776 I799 C802 L806I739-L779 HydrophobicContact CD1-CD2 3.77Å; I739-L779 HydrophobicContact CD1-CG 4.02Å; V742-L779 HydrophobicContact CG1-CD2 4.07Å; V742-L779 HydrophobicContact CG2-CD2 4.31Å; F759-L779 HydrophobicContact CE1-CD2 4.38Å; F759-L779 HydrophobicContact CE2-CD2 4.13Å; F759-L779 HydrophobicContact CZ-CD2 3.85Å; L775-L779 WeakPolarHBondContact O-CB 3.39Å; L775-L779 WeakPolarHBondContact O-CG 3.47Å; L775-L779 PolarHBondContact O-N 3.11Å; L776-L779 PolarHBondContact O-N 2.91Å; L779-I799 HydrophobicContact CB-CG2 4.27Å; L779-C802 HydrophobicContact CD1-CB 3.71Å; L779-C802 HydrophobicContact CD2-CB 4.06Å; L779-L806 HydrophobicContact CD1-CD1 3.55Å; L779-L806 HydrophobicContact CD1-CG 4.49Å
780T89Confident79.9Confident13 Ų1349.3 Ų49.38%0.0828%0.278CS..Hα-helixtrans-90.9-26.5-173.667.80000113.5L776 P782 V783 Y784 I799 V803 L837L776-T780 HydrophobicContact CD1-CG2 4.02Å; L776-T780 WeakPolarHBondContact O-CB 3.4Å; L776-T780 WeakPolarHBondContact O-CG2 3.36Å; L776-T780 PolarHBondContact O-N 3.23Å; L776-T780 PolarHBondContact O-OG1 3.38Å; T780-P782 VanDerWaalsContact C-N 3.32Å; T780-P782 VanDerWaalsContact O-N 3.14Å; T780-V783 WeakPolarHBondContact O-CA 3.39Å; T780-V783 WeakPolarHBondContact O-CB 3.38Å; T780-V783 PolarHBondContact O-N 2.77Å; T780-Y784 WeakPolarHBondContact O-CD2 3.46Å; T780-Y784 PolarHBondContact O-N 3.44Å; T780-I799 HydrophobicContact CG2-CG2 4.45Å; T780-V803 HydrophobicContact CG2-CG2 4.05Å; T780-L837 HydrophobicContact CG2-CD2 4.04Å
781G85.9Confident78.9Confident18 Ų1855.7 Ų55.719%0.18632%0.317CS..Hα-helixtrans-52.2-40.6-170.600000114.4R777 V783 Y784 S785R777-G781 WeakPolarHBondContact O-CA 3.18Å; R777-G781 PolarHBondContact O-N 3.27Å; G781-V783 PolarHBondContact O-N 3.2Å; G781-Y784 PolarHBondContact O-N 3.26Å; G781-S785 VanDerWaalsContact O-CB 3.28Å; G781-S785 WeakPolarHBondContact O-CB 3.42Å; G781-S785 PolarHBondContact O-N 2.63Å; G781-S785 PolarHBondContact O-OG 3.41Å
782P82.7Confident78.7Confident25 Ų2558.8 Ų58.816%0.16233%0.325CS..Hα-helixtrans-69.2-19178.1-36.851.6000115.3T780 S785T780-P782 VanDerWaalsContact C-N 3.32Å; T780-P782 VanDerWaalsContact O-N 3.14Å; P782-S785 WeakPolarHBondContact CA-OG 3.48Å
783V84.1Confident78.4Confident8 Ų863.8 Ų63.85%0.04835%0.347CS..Hα-helixtrans-77.3-47.3168.7-171.80000110.3T780 G781 Q786 L790 Y796 I799 I834 L837T780-V783 WeakPolarHBondContact O-CA 3.39Å; T780-V783 WeakPolarHBondContact O-CB 3.38Å; T780-V783 PolarHBondContact O-N 2.77Å; G781-V783 PolarHBondContact O-N 3.2Å; V783-Q786 PolarHBondContact O-N 3.07Å; V783-L790 HydrophobicContact CG2-CD1 3.46Å; V783-L790 VanDerWaalsContact CG2-CD1 3.46Å; V783-Y796 HydrophobicContact CG1-CE1 4.16Å; V783-Y796 HydrophobicContact CG2-CE1 4.49Å; V783-I799 HydrophobicContact CG2-CD1 4.19Å; V783-I834 HydrophobicContact CG1-CG1 4.31Å; V783-L837 HydrophobicContact CB-CD2 3.85Å; V783-L837 HydrophobicContact CG1-CB 4.31Å; V783-L837 HydrophobicContact CG1-CD2 4.01Å; V783-L837 HydrophobicContact CG2-CD2 3.82Å
784Y84.9Confident78.2Confident75 Ų7560.9 Ų60.929%0.29433%0.333SS..Hα-helixtrans-69.4-34.6-178.3-76.4-89000113.5T780 G781 Q786 F821 D824 I834 L837T780-Y784 WeakPolarHBondContact O-CD2 3.46Å; T780-Y784 PolarHBondContact O-N 3.44Å; G781-Y784 PolarHBondContact O-N 3.26Å; Y784-Q786 PolarHBondContact O-N 3.24Å; Y784-F821 WeakPolarHBondContact OH-CE1 3.46Å; Y784-D824 WeakPolarHBondContact CE1-OD2 3.05Å; Y784-D824 PolarHBondContact OH-OD2 2.81Å; Y784-I834 HydrophobicContact CD1-CD1 4.17Å; Y784-I834 HydrophobicContact CD1-CG1 4.34Å; Y784-I834 HydrophobicContact CD1-CG2 4.37Å; Y784-I834 HydrophobicContact CE1-CG2 3.83Å; Y784-L837 HydrophobicContact CE2-CD2 4.14Å
785S77.9Confident78.2Confident62 Ų6258.6 Ų58.643%0.43432%0.32SS..THydrogen-bonded Turntrans-78.8-5.4178.259.70000113.5G781 P782 S787G781-S785 VanDerWaalsContact O-CB 3.28Å; G781-S785 WeakPolarHBondContact O-CB 3.42Å; G781-S785 PolarHBondContact O-N 2.63Å; G781-S785 PolarHBondContact O-OG 3.41Å; P782-S785 WeakPolarHBondContact CA-OG 3.48Å; S785-S787 VanDerWaalsContact CB-OG 3.28Å; S785-S787 WeakPolarHBondContact CB-OG 3.4Å; S785-S787 PolarHBondContact O-N 3.33Å; S785-S787 PolarHBondContact O-OG 3.31Å; S785-S787 PolarHBondContact OG-OG 2.86Å
786Q68.3Low78.2Confident130 Ų13059.4 Ų59.461%0.60732%0.323SS*.  trans5019.5-177-58.1177.16.600113.7V783 Y784 T788V783-Q786 PolarHBondContact O-N 3.07Å; Y784-Q786 PolarHBondContact O-N 3.24Å; Q786-T788 VanDerWaalsContact C-N 3.29Å; Q786-T788 PolarHBondContact O-N 3.37Å
787S56.5Low78.1Confident91 Ų9161.3 Ų61.364%0.63633%0.33SS*.  trans-80.9-14-164.5-62.80000112.7S785S785-S787 VanDerWaalsContact CB-OG 3.28Å; S785-S787 WeakPolarHBondContact CB-OG 3.4Å; S785-S787 PolarHBondContact O-N 3.33Å; S785-S787 PolarHBondContact O-OG 3.31Å; S785-S787 PolarHBondContact OG-OG 2.86Å
788T54.5Low78.2Confident72 Ų7254.1 Ų54.144%0.44230%0.303SS..SBendtrans-145.4119.7176.745.80000108.3Q786 L790Q786-T788 VanDerWaalsContact C-N 3.29Å; Q786-T788 PolarHBondContact O-N 3.37Å; T788-L790 PolarHBondContact O-N 3.49Å
789A52.5Low78.4Confident93 Ų9351.3 Ų51.377%0.76929%0.289SS*.  trans-59.1104169.200000108.2T791A789-T791 PolarHBondContact O-N 2.66Å
790L62.7Low78.6Confident25 Ų2551.2 Ų51.213%0.13129%0.288CS..  trans-64.4103.2166.6-74.2171.3000106.2R743 V783 T788 H792 Y796 I799R743-L790 HydrophobicContact CB-CD2 3.87Å; R743-L790 HydrophobicContact CG-CD2 3.86Å; V783-L790 HydrophobicContact CG2-CD1 3.46Å; V783-L790 VanDerWaalsContact CG2-CD1 3.46Å; T788-L790 PolarHBondContact O-N 3.49Å; L790-H792 VanDerWaalsContact C-N 3.28Å; L790-H792 PolarHBondContact O-N 3.32Å; L790-Y796 HydrophobicContact CB-CE1 4.5Å; L790-Y796 HydrophobicContact CB-CE2 3.93Å; L790-Y796 HydrophobicContact CD1-CD1 4.24Å; L790-Y796 HydrophobicContact CD1-CE1 3.78Å; L790-Y796 HydrophobicContact CD1-CE2 4.44Å; L790-I799 HydrophobicContact CD1-CD1 4.12Å
791T62.1Low78.7Confident135 Ų13554 Ų5483%0.82830%0.299SS*.  trans-74.5-20.2-169.948.90000112.8A789A789-T791 PolarHBondContact O-N 2.66Å
792H78.5Confident79.1Confident88 Ų8853.1 Ų53.141%0.40729%0.29SS..  trans-123.4139.9-170.8-157.8-98000113.9P745 L790 Q794 S795P745-H792 HydrophobicContact CB-CB 3.74Å; P745-H792 VanDerWaalsContact CB-CG 3.48Å; P745-H792 WeakPolarHBondContact CB-ND1 3.38Å; L790-H792 VanDerWaalsContact C-N 3.28Å; L790-H792 PolarHBondContact O-N 3.32Å; H792-Q794 VanDerWaalsContact C-N 3.27Å; H792-Q794 VanDerWaalsContact ND1-CB 3.3Å; H792-Q794 WeakPolarHBondContact ND1-CB 3.34Å; H792-Q794 PolarHBondContact ND1-N 2.93Å; H792-Q794 PolarHBondContact O-N 3.01Å; H792-S795 PolarHBondContact O-N 2.69Å; H792-S795 PolarHBondContact O-OG 3.33Å
793K82.3Confident79.6Confident119 Ų11951.9 Ų51.952%0.51728%0.283SS..Hα-helixtrans-60.5-35.7-177.9-64.3-176.3-178.8-171.40112.6S795 Y796 Y797 E871K793-S795 PolarHBondContact O-N 3.25Å; K793-Y796 PolarHBondContact O-N 3.23Å; K793-Y797 WeakPolarHBondContact O-CD2 3.38Å; K793-E871 HydrophobicContact CD-CG 4.35Å; K793-E871 VanDerWaalsContact CE-CG 3.5Å; K793-E871 WeakPolarHBondContact CE-OE1 3.32Å; K793-E871 IonicContact NZ-OE1 2.92Å; K793-E871 PolarHBondContact NZ-OE1 3.43Å
794Q84.9Confident80Confident40 Ų4051.8 Ų51.819%0.18728%0.283CS..Hα-helixtrans-59.7-31.7-178.9-173.159.223.200113.7Q748 H792 Y796 Y797 S798Q748-Q794 HydrophobicContact CG-CG 4.05Å; H792-Q794 VanDerWaalsContact C-N 3.27Å; H792-Q794 VanDerWaalsContact ND1-CB 3.3Å; H792-Q794 WeakPolarHBondContact ND1-CB 3.34Å; H792-Q794 PolarHBondContact ND1-N 2.93Å; H792-Q794 PolarHBondContact O-N 3.01Å; Q794-Y796 VanDerWaalsContact C-N 3.29Å; Q794-Y796 PolarHBondContact O-N 3.34Å; Q794-Y797 PolarHBondContact O-N 3.03Å; Q794-S798 PolarHBondContact O-N 3.36Å; Q794-S798 PolarHBondContact O-OG 3Å
795S87Confident80.3Confident2 Ų248.4 Ų48.41%0.01427%0.27CS..Hα-helixtrans-62.4-38.6179.6-44.40000111.2R743 H792 K793 S798 I799R743-S795 WeakPolarHBondContact O-CB 3.45Å; R743-S795 PolarHBondContact O-OG 3.35Å; H792-S795 PolarHBondContact O-N 2.69Å; H792-S795 PolarHBondContact O-OG 3.33Å; K793-S795 PolarHBondContact O-N 3.25Å; S795-S798 PolarHBondContact O-N 2.88Å; S795-I799 VanDerWaalsContact O-CG1 3.24Å; S795-I799 WeakPolarHBondContact O-CG1 3.22Å; S795-I799 PolarHBondContact O-N 2.76Å
796Y89.6Confident81Confident17 Ų1745.5 Ų45.57%0.06725%0.25CC..Hα-helixtrans-66.9-41.8177.6-62.6-85.9000112.3V783 L790 K793 Q794 I799 A800 S833 L836 L837V783-Y796 HydrophobicContact CG1-CE1 4.16Å; V783-Y796 HydrophobicContact CG2-CE1 4.49Å; L790-Y796 HydrophobicContact CB-CE1 4.5Å; L790-Y796 HydrophobicContact CB-CE2 3.93Å; L790-Y796 HydrophobicContact CD1-CD1 4.24Å; L790-Y796 HydrophobicContact CD1-CE1 3.78Å; L790-Y796 HydrophobicContact CD1-CE2 4.44Å; K793-Y796 PolarHBondContact O-N 3.23Å; Q794-Y796 VanDerWaalsContact C-N 3.29Å; Q794-Y796 PolarHBondContact O-N 3.34Å; Y796-I799 PolarHBondContact O-N 2.93Å; Y796-A800 VanDerWaalsContact O-CB 3.31Å; Y796-A800 WeakPolarHBondContact O-CB 3.44Å; Y796-A800 PolarHBondContact O-N 2.8Å; Y796-S833 WeakPolarHBondContact OH-CB 3.45Å; Y796-S833 PolarHBondContact OH-OG 2.9Å; Y796-L836 HydrophobicContact CD1-CD2 4Å; Y796-L836 HydrophobicContact CD1-CG 4.31Å; Y796-L836 HydrophobicContact CD2-CD2 3.64Å; Y796-L836 HydrophobicContact CE1-CD2 4.23Å; Y796-L836 HydrophobicContact CE2-CD2 3.88Å; Y796-L836 HydrophobicContact CG-CD2 3.69Å; Y796-L836 HydrophobicContact CG-CG 4.19Å; Y796-L837 HydrophobicContact CD1-CB 4.28Å
797Y90.2Very high82.1Confident60 Ų6039.3 Ų39.324%0.23522%0.221CC..Hα-helixtrans-62.6-42.5174-77.7-83.4000111.7K793 Q794 A800 K801 L840 Y878K793-Y797 WeakPolarHBondContact O-CD2 3.38Å; Q794-Y797 PolarHBondContact O-N 3.03Å; Y797-A800 PolarHBondContact O-N 3.21Å; Y797-K801 WeakPolarHBondContact O-CB 3.47Å; Y797-K801 WeakPolarHBondContact O-CG 3.44Å; Y797-K801 PolarHBondContact O-N 3.19Å; Y797-L840 HydrophobicContact CD1-CD1 4.1Å; Y797-L840 HydrophobicContact CD1-CD2 3.94Å; Y797-L840 HydrophobicContact CD2-CD1 4Å; Y797-L840 HydrophobicContact CE1-CD1 4.17Å; Y797-L840 HydrophobicContact CE1-CD2 3.38Å; Y797-L840 HydrophobicContact CE1-CG 4.38Å; Y797-L840 HydrophobicContact CE2-CD1 4.04Å; Y797-L840 HydrophobicContact CE2-CD2 4.37Å; Y797-L840 HydrophobicContact CG-CD1 4.02Å; Y797-Y878 HydrophobicContact CE1-CD1 4.21Å; Y797-Y878 HydrophobicContact CE1-CE1 4.29Å; Y797-Y878 HydrophobicContact CE1-CG 4.42Å
798S91.3Very high83.7Confident0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-63.5-44.1178.9-56.50000111.6V742 Q794 S795 C802V742-S798 WeakPolarHBondContact O-CB 3.33Å; Q794-S798 PolarHBondContact O-N 3.36Å; Q794-S798 PolarHBondContact O-OG 3Å; S795-S798 PolarHBondContact O-N 2.88Å; S798-C802 PolarHBondContact O-N 3.49Å; S798-C802 PolarHBondContact O-SG 3.42Å
799I92.5Very high85.3Confident2 Ų238.5 Ų38.51%0.0120%0.203CC..Hα-helixtrans-62.9-48.3174.4-63.9165.9000110.3V742 L779 T780 V783 L790 S795 Y796 K801 C802 V803 L837V742-I799 HydrophobicContact CG1-CG1 3.68Å; L779-I799 HydrophobicContact CB-CG2 4.27Å; T780-I799 HydrophobicContact CG2-CG2 4.45Å; V783-I799 HydrophobicContact CG2-CD1 4.19Å; L790-I799 HydrophobicContact CD1-CD1 4.12Å; S795-I799 VanDerWaalsContact O-CG1 3.24Å; S795-I799 WeakPolarHBondContact O-CG1 3.22Å; S795-I799 PolarHBondContact O-N 2.76Å; Y796-I799 PolarHBondContact O-N 2.93Å; I799-K801 VanDerWaalsContact C-N 3.32Å; I799-K801 PolarHBondContact O-N 2.85Å; I799-C802 WeakPolarHBondContact O-CA 3.43Å; I799-C802 WeakPolarHBondContact O-CB 3.29Å; I799-C802 PolarHBondContact O-N 2.91Å; I799-V803 HydrophobicContact CG2-CG2 4.34Å; I799-V803 WeakPolarHBondContact O-CG2 3.26Å; I799-V803 PolarHBondContact O-N 3.31Å; I799-L837 HydrophobicContact CB-CD1 4Å; I799-L837 HydrophobicContact CG2-CD1 3.55Å
800A92.5Very high87.1Confident0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-57.3-43.7179.600000112.4Y796 Y797 V803 A804 L840 E844Y796-A800 VanDerWaalsContact O-CB 3.31Å; Y796-A800 WeakPolarHBondContact O-CB 3.44Å; Y796-A800 PolarHBondContact O-N 2.8Å; Y797-A800 PolarHBondContact O-N 3.21Å; A800-V803 WeakPolarHBondContact O-CB 3.43Å; A800-V803 PolarHBondContact O-N 3.33Å; A800-A804 PolarHBondContact O-N 3Å; A800-L840 HydrophobicContact CB-CB 3.64Å; A800-E844 HydrophobicContact CB-CG 4.13Å
801K92.8Very high88.2Confident71 Ų7138.3 Ų38.331%0.30920%0.196SC..Hα-helixtrans-63.1-41173.6-74.8-178.6173.5-170.90112.4L752 L756 Y797 I799 V803 A804 A805 E844L752-K801 HydrophobicContact CD2-CD 3.92Å; L756-K801 HydrophobicContact CD1-CB 4.1Å; L756-K801 HydrophobicContact CD2-CB 3.75Å; L756-K801 WeakPolarHBondContact CD2-O 3.34Å; Y797-K801 WeakPolarHBondContact O-CB 3.47Å; Y797-K801 WeakPolarHBondContact O-CG 3.44Å; Y797-K801 PolarHBondContact O-N 3.19Å; I799-K801 VanDerWaalsContact C-N 3.32Å; I799-K801 PolarHBondContact O-N 2.85Å; K801-V803 VanDerWaalsContact C-N 3.33Å; K801-V803 PolarHBondContact O-N 2.73Å; K801-A804 PolarHBondContact O-N 3.36Å; K801-A805 VanDerWaalsContact O-CB 3.28Å; K801-A805 WeakPolarHBondContact O-CB 3.32Å; K801-A805 PolarHBondContact O-N 2.89Å; K801-E844 WeakPolarHBondContact CE-OE1 3.32Å; K801-E844 HydrophobicContact CG-CG 4.03Å; K801-E844 WeakPolarHBondContact CG-OE1 2.97Å
802C93.1Very high89.3Confident0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-62.6-40.1174.3-660000111.5L756 F759 L779 S798 I799 A805 L806L756-C802 HydrophobicContact CD2-CB 4.32Å; F759-C802 HydrophobicContact CD2-CB 4.23Å; L779-C802 HydrophobicContact CD1-CB 3.71Å; L779-C802 HydrophobicContact CD2-CB 4.06Å; S798-C802 PolarHBondContact O-N 3.49Å; S798-C802 PolarHBondContact O-SG 3.42Å; I799-C802 WeakPolarHBondContact O-CA 3.43Å; I799-C802 WeakPolarHBondContact O-CB 3.29Å; I799-C802 PolarHBondContact O-N 2.91Å; C802-A805 WeakPolarHBondContact O-CB 3.33Å; C802-A805 PolarHBondContact O-N 3.23Å; C802-L806 WeakPolarHBondContact O-CG 3.37Å; C802-L806 PolarHBondContact O-N 2.93Å
803V93Very high89.6Confident0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-64-43.5175.41740000111.4L776 T780 I799 A800 K801 L806 T807 F821L776-V803 HydrophobicContact CD1-CB 4.38Å; L776-V803 HydrophobicContact CD1-CG1 3.8Å; L776-V803 HydrophobicContact CD1-CG2 3.77Å; T780-V803 HydrophobicContact CG2-CG2 4.05Å; I799-V803 HydrophobicContact CG2-CG2 4.34Å; I799-V803 WeakPolarHBondContact O-CG2 3.26Å; I799-V803 PolarHBondContact O-N 3.31Å; A800-V803 WeakPolarHBondContact O-CB 3.43Å; A800-V803 PolarHBondContact O-N 3.33Å; K801-V803 VanDerWaalsContact C-N 3.33Å; K801-V803 PolarHBondContact O-N 2.73Å; V803-L806 PolarHBondContact O-N 3.49Å; V803-T807 WeakPolarHBondContact O-CB 3.21Å; V803-T807 PolarHBondContact O-N 2.97Å; V803-T807 PolarHBondContact O-OG1 2.88Å; V803-F821 HydrophobicContact CG1-CE2 3.84Å; V803-F821 HydrophobicContact CG1-CZ 4.07Å
804A92.1Very high89.6Confident6 Ų635.8 Ų35.85%0.0517%0.174CC..Hα-helixtrans-63.9-41.3174.900000112A800 K801 T807 R808 E844 V845A800-A804 PolarHBondContact O-N 3Å; K801-A804 PolarHBondContact O-N 3.36Å; A804-T807 PolarHBondContact O-N 2.95Å; A804-R808 WeakPolarHBondContact O-CB 3.48Å; A804-R808 PolarHBondContact O-N 2.6Å; A804-E844 HydrophobicContact CB-CB 3.56Å; A804-V845 HydrophobicContact CB-CG2 4.08Å
805A92.6Very high89.7Confident4 Ų437.6 Ų37.63%0.03319%0.19CC..Hα-helixtrans-58.6-46.8173.900000112.2L756 Q760 K801 C802 R808 A809L756-A805 HydrophobicContact CB-CB 4.24Å; L756-A805 HydrophobicContact CD2-CB 4.04Å; Q760-A805 HydrophobicContact CG-CB 3.95Å; Q760-A805 VanDerWaalsContact CG-O 3.28Å; Q760-A805 WeakPolarHBondContact CG-O 3.43Å; Q760-A805 VanDerWaalsContact NE2-CB 3.29Å; K801-A805 VanDerWaalsContact O-CB 3.28Å; K801-A805 WeakPolarHBondContact O-CB 3.32Å; K801-A805 PolarHBondContact O-N 2.89Å; C802-A805 WeakPolarHBondContact O-CB 3.33Å; C802-A805 PolarHBondContact O-N 3.23Å; A805-R808 PolarHBondContact O-N 3.32Å; A805-A809 PolarHBondContact O-N 3.47Å; A805-A809 VanDerWaalsContact O-N 3.16Å
806L92.9Very high89.7Confident0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-61.1-44.4173.9-69.4175.9000111.6F759 V763 Y772 L775 L779 C802 V803 R808 A809 C810F759-L806 HydrophobicContact CB-CD2 4.04Å; F759-L806 HydrophobicContact CB-CG 4.49Å; F759-L806 HydrophobicContact CD1-CD2 4.46Å; V763-L806 HydrophobicContact CB-CD2 3.63Å; V763-L806 HydrophobicContact CG1-CD2 3.89Å; V763-L806 HydrophobicContact CG2-CD2 3.99Å; Y772-L806 HydrophobicContact CD2-CB 4.02Å; Y772-L806 HydrophobicContact CE2-CB 3.74Å; L775-L806 HydrophobicContact CB-CD1 3.88Å; L775-L806 HydrophobicContact CB-CD2 4.25Å; L775-L806 HydrophobicContact CD1-CD2 3.84Å; L779-L806 HydrophobicContact CD1-CD1 3.55Å; L779-L806 HydrophobicContact CD1-CG 4.49Å; C802-L806 WeakPolarHBondContact O-CG 3.37Å; C802-L806 PolarHBondContact O-N 2.93Å; V803-L806 PolarHBondContact O-N 3.49Å; L806-R808 VanDerWaalsContact C-N 3.34Å; L806-R808 PolarHBondContact O-N 3.05Å; L806-A809 PolarHBondContact O-N 3.49Å; L806-C810 PolarHBondContact O-N 3.39Å
807T91.4Very high89.7Confident1 Ų140.6 Ų40.61%0.00622%0.217CC..Hα-helixtrans-67.8-35.9-176.9-54.70000111.6Y772 V803 A804 A809 C810 P811 V845 I849Y772-T807 PolarHBondContact OH-OG1 3.47Å; V803-T807 WeakPolarHBondContact O-CB 3.21Å; V803-T807 PolarHBondContact O-N 2.97Å; V803-T807 PolarHBondContact O-OG1 2.88Å; A804-T807 PolarHBondContact O-N 2.95Å; T807-A809 VanDerWaalsContact C-N 3.34Å; T807-C810 CarbonylContact O-C 3.39Å; T807-C810 PolarHBondContact O-N 3.02Å; T807-P811 VanDerWaalsContact O-CA 3.3Å; T807-P811 WeakPolarHBondContact O-CA 3.45Å; T807-P811 VanDerWaalsContact O-N 3.13Å; T807-V845 HydrophobicContact CG2-CG1 4.11Å; T807-V845 HydrophobicContact CG2-CG2 4.38Å; T807-I849 HydrophobicContact CG2-CD1 3.93Å
808R89.3Confident89.7Confident114 Ų11437.9 Ų37.943%0.4321%0.207SC..Hα-helixtrans-64.2-38.4173.1-172.4172.373.1-174.714.5112.1A804 A805 L806A804-R808 WeakPolarHBondContact O-CB 3.48Å; A804-R808 PolarHBondContact O-N 2.6Å; A805-R808 PolarHBondContact O-N 3.32Å; L806-R808 VanDerWaalsContact C-N 3.34Å; L806-R808 PolarHBondContact O-N 3.05Å
809A89Confident89.7Confident32 Ų3238.8 Ų38.826%0.26422%0.216SC..Hα-helixtrans-73.6-29.2175.200000113.1Q760 V763 V764 A805 L806 T807Q760-A809 HydrophobicContact CB-CB 4.48Å; Q760-A809 HydrophobicContact CG-CB 4.28Å; V763-A809 HydrophobicContact CG1-CB 3.47Å; V763-A809 VanDerWaalsContact CG1-CB 3.47Å; V764-A809 HydrophobicContact CG2-CB 4.02Å; A805-A809 PolarHBondContact O-N 3.47Å; A805-A809 VanDerWaalsContact O-N 3.16Å; L806-A809 PolarHBondContact O-N 3.49Å; T807-A809 VanDerWaalsContact C-N 3.34Å
810C89.4Confident89.6Confident31 Ų3143.1 Ų43.121%0.20924%0.236CC..  trans-127.267.1-179.2-68.60000112.4Y772 L806 T807 K812 E813Y772-C810 HydrophobicContact CD2-CB 3.69Å; Y772-C810 HydrophobicContact CE2-CB 4.23Å; Y772-C810 HydrophobicContact CG-CB 4.31Å; L806-C810 PolarHBondContact O-N 3.39Å; T807-C810 CarbonylContact O-C 3.39Å; T807-C810 PolarHBondContact O-N 3.02Å; C810-K812 PolarHBondContact O-N 3.35Å; C810-E813 HydrophobicContact CB-CG 4.45Å; C810-E813 PolarHBondContact O-N 3.26Å; C810-E813 VanDerWaalsContact O-N 3.12Å
811P85Confident89.6Confident83 Ų8343.3 Ų43.354%0.53924%0.237SC..THydrogen-bonded Turntrans-62.6-21.3-170.623.4-34.6000114.5T807 E813 G814T807-P811 VanDerWaalsContact O-CA 3.3Å; T807-P811 WeakPolarHBondContact O-CA 3.45Å; T807-P811 VanDerWaalsContact O-N 3.13Å; P811-E813 VanDerWaalsContact C-N 3.32Å; P811-E813 PolarHBondContact O-N 2.9Å; P811-G814 PolarHBondContact O-N 2.9Å
812K86.2Confident89.6Confident196 Ų19640.4 Ų40.485%0.85223%0.225SC*.THydrogen-bonded Turntrans-66.8-30.8178-64.9-175.2-179.2178.50113.4C810C810-K812 PolarHBondContact O-N 3.35Å
813E84.6Confident89.6Confident88 Ų8846.2 Ų46.241%0.41125%0.252SS..THydrogen-bonded Turntrans-83.6-18.7180-59.8-64.7155.700112Y772 C810 P811 A816 V817Y772-E813 HydrophobicContact CD1-CB 3.49Å; Y772-E813 VanDerWaalsContact CD1-CB 3.49Å; Y772-E813 HydrophobicContact CD1-CG 3.74Å; Y772-E813 HydrophobicContact CD2-CB 4.41Å; Y772-E813 HydrophobicContact CE1-CB 3.42Å; Y772-E813 VanDerWaalsContact CE1-CB 3.42Å; Y772-E813 HydrophobicContact CE1-CG 4.21Å; Y772-E813 HydrophobicContact CE2-CB 4.35Å; Y772-E813 HydrophobicContact CG-CB 4.01Å; Y772-E813 HydrophobicContact CG-CG 3.97Å; C810-E813 HydrophobicContact CB-CG 4.45Å; C810-E813 PolarHBondContact O-N 3.26Å; C810-E813 VanDerWaalsContact O-N 3.12Å; P811-E813 VanDerWaalsContact C-N 3.32Å; P811-E813 PolarHBondContact O-N 2.9Å; E813-A816 PolarHBondContact O-N 3.32Å; E813-V817 PolarHBondContact O-N 3.16Å
814G82.9Confident89.5Confident4 Ų446.8 Ų46.84%0.04126%0.255CS..Hα-helixtrans-54.2-48.4-17400000115.4P811 A816 V817 V818P811-G814 PolarHBondContact O-N 2.9Å; G814-A816 VanDerWaalsContact C-N 3.29Å; G814-A816 PolarHBondContact O-N 3.41Å; G814-V817 PolarHBondContact O-N 3.12Å; G814-V818 WeakPolarHBondContact O-CB 2.99Å; G814-V818 VanDerWaalsContact O-CG2 3.32Å; G814-V818 WeakPolarHBondContact O-CG2 3.37Å; G814-V818 PolarHBondContact O-N 2.82Å
815P86.5Confident89.4Confident79 Ų7947.1 Ų47.151%0.51326%0.257SS..Hα-helixtrans-58.6-36.5-177.8-27.535.7000114.2G819P815-G819 PolarHBondContact O-N 2.85Å
816A87.3Confident89.4Confident73 Ų7351.2 Ų51.260%0.60327%0.273SS*.Hα-helixtrans-68.3-42.7178.400000111.4E813 G814 G819 Q820E813-A816 PolarHBondContact O-N 3.32Å; G814-A816 VanDerWaalsContact C-N 3.29Å; G814-A816 PolarHBondContact O-N 3.41Å; A816-G819 PolarHBondContact O-N 3.07Å; A816-Q820 PolarHBondContact O-N 3.24Å
817V88.5Confident89.1Confident9 Ų954.5 Ų54.56%0.05529%0.291CS..Hα-helixtrans-67.9-42.6177.9174.70000111.9Y772 L776 E813 G814 G819 Q820 F821Y772-V817 HydrophobicContact CE1-CG2 3.58Å; Y772-V817 WeakPolarHBondContact OH-CG2 3.44Å; L776-V817 HydrophobicContact CD1-CG1 4.49Å; L776-V817 HydrophobicContact CD2-CG1 4.14Å; L776-V817 HydrophobicContact CD2-CG2 3.55Å; E813-V817 PolarHBondContact O-N 3.16Å; G814-V817 PolarHBondContact O-N 3.12Å; V817-G819 VanDerWaalsContact C-N 3.31Å; V817-G819 PolarHBondContact O-N 2.87Å; V817-Q820 PolarHBondContact O-N 3.42Å; V817-F821 HydrophobicContact CG1-CD2 3.76Å; V817-F821 HydrophobicContact CG1-CE2 3.27Å; V817-F821 HydrophobicContact CG1-CZ 3.88Å; V817-F821 WeakPolarHBondContact O-CD2 3.05Å; V817-F821 PolarHBondContact O-N 3.14Å
818V90.2Very high88.6Confident3 Ų359.4 Ų59.42%0.01833%0.325CS..Hα-helixtrans-59-45.1173.4169.60000110.3G814 Q820 F821 I822 L842 V845 L851 Q854G814-V818 WeakPolarHBondContact O-CB 2.99Å; G814-V818 VanDerWaalsContact O-CG2 3.32Å; G814-V818 WeakPolarHBondContact O-CG2 3.37Å; G814-V818 PolarHBondContact O-N 2.82Å; V818-Q820 VanDerWaalsContact C-N 3.34Å; V818-Q820 PolarHBondContact O-N 3.4Å; V818-F821 PolarHBondContact O-N 3.1Å; V818-I822 HydrophobicContact CG1-CD1 3.88Å; V818-I822 VanDerWaalsContact O-CG1 3.28Å; V818-I822 WeakPolarHBondContact O-CG1 3.12Å; V818-I822 PolarHBondContact O-N 3.4Å; V818-L842 HydrophobicContact CB-CD2 4.31Å; V818-L842 HydrophobicContact CG1-CD2 3.76Å; V818-L842 HydrophobicContact CG2-CD2 4.44Å; V818-V845 HydrophobicContact CG2-CG1 3.92Å; V818-L851 HydrophobicContact CG1-CD1 4.29Å; V818-L851 HydrophobicContact CG1-CD2 4.2Å; V818-L851 HydrophobicContact CG2-CD1 4.45Å; V818-L851 HydrophobicContact CG2-CD2 3.92Å; V818-Q854 HydrophobicContact CG1-CG 3.93Å
819G91Very high88.4Confident19 Ų1964.6 Ų64.620%0.19635%0.345CS..Hα-helixtrans-58.8-42.1175.300000113.1P815 A816 V817 I822 Q823P815-G819 PolarHBondContact O-N 2.85Å; A816-G819 PolarHBondContact O-N 3.07Å; V817-G819 VanDerWaalsContact C-N 3.31Å; V817-G819 PolarHBondContact O-N 2.87Å; G819-I822 PolarHBondContact O-N 3.18Å; G819-Q823 WeakPolarHBondContact O-CG 3.2Å; G819-Q823 PolarHBondContact O-N 2.91Å; G819-Q823 VanDerWaalsContact O-N 3.15Å
820Q91.1Very high88.2Confident92 Ų9263.6 Ų63.643%0.4334%0.336SS..Hα-helixtrans-63.5-47.4175.9-176.759.75200111.8A816 V817 V818 I822 Q823 D824A816-Q820 PolarHBondContact O-N 3.24Å; V817-Q820 PolarHBondContact O-N 3.42Å; V818-Q820 VanDerWaalsContact C-N 3.34Å; V818-Q820 PolarHBondContact O-N 3.4Å; Q820-I822 VanDerWaalsContact C-N 3.32Å; Q820-I822 PolarHBondContact O-N 2.98Å; Q820-Q823 WeakPolarHBondContact O-CB 3.37Å; Q820-Q823 PolarHBondContact O-N 3.36Å; Q820-Q823 VanDerWaalsContact O-N 3.12Å; Q820-D824 PolarHBondContact NE2-OD1 3.16Å; Q820-D824 VanDerWaalsContact O-CG 3.28Å; Q820-D824 PolarHBondContact O-N 3.32Å
821F92.9Very high88.1Confident5 Ų564.2 Ų64.22%0.02234%0.339CS..Hα-helixtrans-63.6-36.8178.5-69.6-40000112.6Y784 V803 V817 V818 Q823 D824 V825 A838 S841 L842Y784-F821 WeakPolarHBondContact OH-CE1 3.46Å; V803-F821 HydrophobicContact CG1-CE2 3.84Å; V803-F821 HydrophobicContact CG1-CZ 4.07Å; V817-F821 HydrophobicContact CG1-CD2 3.76Å; V817-F821 HydrophobicContact CG1-CE2 3.27Å; V817-F821 HydrophobicContact CG1-CZ 3.88Å; V817-F821 WeakPolarHBondContact O-CD2 3.05Å; V817-F821 PolarHBondContact O-N 3.14Å; V818-F821 PolarHBondContact O-N 3.1Å; F821-Q823 VanDerWaalsContact C-N 3.32Å; F821-Q823 PolarHBondContact O-N 3.02Å; F821-D824 PolarHBondContact O-N 2.97Å; F821-V825 WeakPolarHBondContact O-CG2 3.32Å; F821-V825 PolarHBondContact O-N 2.82Å; F821-A838 HydrophobicContact CB-CB 3.93Å; F821-A838 HydrophobicContact CD1-CB 3.83Å; F821-A838 HydrophobicContact CG-CB 4.17Å; F821-S841 VanDerWaalsContact CE2-CB 3.44Å; F821-L842 HydrophobicContact CB-CD1 4.04Å; F821-L842 HydrophobicContact CB-CD2 3.96Å; F821-L842 HydrophobicContact CB-CG 3.78Å
822I92.5Very high88.2Confident9 Ų963.6 Ų63.65%0.04633%0.331CS..Hα-helixtrans-59.9-43.6173.2-69.1167.9000110.7V818 G819 Q820 V825 K826 L842 Q854 L857 V860V818-I822 HydrophobicContact CG1-CD1 3.88Å; V818-I822 VanDerWaalsContact O-CG1 3.28Å; V818-I822 WeakPolarHBondContact O-CG1 3.12Å; V818-I822 PolarHBondContact O-N 3.4Å; G819-I822 PolarHBondContact O-N 3.18Å; Q820-I822 VanDerWaalsContact C-N 3.32Å; Q820-I822 PolarHBondContact O-N 2.98Å; I822-V825 PolarHBondContact O-N 2.92Å; I822-K826 HydrophobicContact CG2-CD 4.45Å; I822-K826 WeakPolarHBondContact O-CG 3.11Å; I822-K826 PolarHBondContact O-N 3.44Å; I822-K826 VanDerWaalsContact O-N 3.08Å; I822-L842 HydrophobicContact CG1-CD1 4.18Å; I822-L842 HydrophobicContact CG1-CD2 4.14Å; I822-Q854 HydrophobicContact CD1-CB 3.89Å; I822-Q854 HydrophobicContact CD1-CG 3.96Å; I822-L857 HydrophobicContact CD1-CB 4.45Å; I822-L857 HydrophobicContact CD1-CD1 4.06Å; I822-L857 HydrophobicContact CG1-CD1 3.9Å; I822-V860 HydrophobicContact CG2-CG2 4.21Å
823Q92.8Very high88.3Confident122 Ų12256.4 Ų56.457%0.5731%0.306SS*.Hα-helixtrans-64.9-39.6176-69.6-179.81700112.1G819 Q820 F821 V825 K826 N827G819-Q823 WeakPolarHBondContact O-CG 3.2Å; G819-Q823 PolarHBondContact O-N 2.91Å; G819-Q823 VanDerWaalsContact O-N 3.15Å; Q820-Q823 WeakPolarHBondContact O-CB 3.37Å; Q820-Q823 PolarHBondContact O-N 3.36Å; Q820-Q823 VanDerWaalsContact O-N 3.12Å; F821-Q823 VanDerWaalsContact C-N 3.32Å; F821-Q823 PolarHBondContact O-N 3.02Å; Q823-V825 VanDerWaalsContact C-N 3.32Å; Q823-V825 PolarHBondContact O-N 3.17Å; Q823-K826 PolarHBondContact O-N 2.98Å; Q823-N827 VanDerWaalsContact O-CB 3.27Å; Q823-N827 WeakPolarHBondContact O-CB 3.41Å; Q823-N827 PolarHBondContact O-N 2.8Å
824D91.3Very high88.5Confident13 Ų1352.9 Ų52.97%0.0729%0.289CS..Hα-helixtrans-65-35.9179.1-68.8-24.7000112.4Y784 Q820 F821 S830 I834 A838Y784-D824 WeakPolarHBondContact CE1-OD2 3.05Å; Y784-D824 PolarHBondContact OH-OD2 2.81Å; Q820-D824 PolarHBondContact NE2-OD1 3.16Å; Q820-D824 VanDerWaalsContact O-CG 3.28Å; Q820-D824 PolarHBondContact O-N 3.32Å; F821-D824 PolarHBondContact O-N 2.97Å; D824-S830 WeakPolarHBondContact O-CB 3.47Å; D824-S830 PolarHBondContact O-OG 3.48Å; D824-I834 HydrophobicContact CB-CG2 3.95Å; D824-A838 HydrophobicContact CB-CB 4.14Å
825V91.1Very high88.9Confident13 Ų1354.7 Ų54.78%0.07930%0.295CS..Hα-helixtrans-69-44.4173.3178.70000111.3F821 I822 Q823 N827 A838 L839 L842 V860 A864F821-V825 WeakPolarHBondContact O-CG2 3.32Å; F821-V825 PolarHBondContact O-N 2.82Å; I822-V825 PolarHBondContact O-N 2.92Å; Q823-V825 VanDerWaalsContact C-N 3.32Å; Q823-V825 PolarHBondContact O-N 3.17Å; V825-N827 VanDerWaalsContact C-N 3.32Å; V825-N827 PolarHBondContact O-N 3.01Å; V825-A838 HydrophobicContact CG2-CB 3.68Å; V825-L839 HydrophobicContact CG1-CD2 4.02Å; V825-L839 HydrophobicContact CG1-CG 4.34Å; V825-L839 HydrophobicContact CG2-CD2 3.94Å; V825-L839 HydrophobicContact CG2-CG 3.82Å; V825-L842 HydrophobicContact CG2-CD1 4.35Å; V825-V860 HydrophobicContact CB-CG1 3.83Å; V825-V860 HydrophobicContact CG1-CG1 3.48Å; V825-V860 VanDerWaalsContact CG1-CG1 3.48Å; V825-A864 HydrophobicContact CG1-CB 4.4Å
826K91.2Very high89.1Confident89 Ų8951.8 Ų51.839%0.38728%0.275SS..Hα-helixtrans-64.8-33.4178.3-78.5-176.2168.1-166.60113.3I822 Q823 S828 E856 V860I822-K826 HydrophobicContact CG2-CD 4.45Å; I822-K826 WeakPolarHBondContact O-CG 3.11Å; I822-K826 PolarHBondContact O-N 3.44Å; I822-K826 VanDerWaalsContact O-N 3.08Å; Q823-K826 PolarHBondContact O-N 2.98Å; K826-S828 PolarHBondContact O-N 2.92Å; K826-S828 VanDerWaalsContact O-N 3.14Å; K826-E856 IonicContact NZ-OE1 3.58Å; K826-E856 PolarHBondContact NZ-OE1 2.76Å; K826-E856 IonicContact NZ-OE2 2.76Å; K826-E856 PolarHBondContact NZ-OE2 3.28Å; K826-V860 HydrophobicContact CD-CG2 3.88Å; K826-V860 HydrophobicContact CG-CG1 4.1Å; K826-V860 HydrophobicContact CG-CG2 3.59Å
827N87.8Confident89.3Confident70 Ų7048.3 Ų48.337%0.37425%0.246SC..  trans-68.5115.1-171.5-178.73.4000111.1Q823 V825 R829 S830 R835Q823-N827 VanDerWaalsContact O-CB 3.27Å; Q823-N827 WeakPolarHBondContact O-CB 3.41Å; Q823-N827 PolarHBondContact O-N 2.8Å; V825-N827 VanDerWaalsContact C-N 3.32Å; V825-N827 PolarHBondContact O-N 3.01Å; N827-R829 PolarHBondContact O-N 3.06Å; N827-R829 VanDerWaalsContact O-N 3.12Å; N827-R829 WeakPolarHBondContact OD1-CB 3.41Å; N827-R829 PolarHBondContact OD1-N 2.89Å; N827-S830 WeakPolarHBondContact CB-OG 3.33Å; N827-S830 WeakPolarHBondContact O-CB 3.46Å; N827-S830 PolarHBondContact O-N 3.17Å; N827-S830 PolarHBondContact O-OG 3.32Å; N827-R835 PolarHBondContact O-NE 3.42Å; N827-R835 PolarHBondContact O-NH2 3.13Å
828S80.2Confident89.5Confident103 Ų10347.9 Ų47.972%0.7224%0.244SC*.THydrogen-bonded Turntrans-60.5-22.9179.159.30000113.2K826 R835K826-S828 PolarHBondContact O-N 2.92Å; K826-S828 VanDerWaalsContact O-N 3.14Å; S828-R835 VanDerWaalsContact C-NH2 3.29Å; S828-R835 PolarHBondContact O-NH2 3.27Å; S828-R835 VanDerWaalsContact O-NH2 3.08Å
829R84.1Confident89.7Confident223 Ų22347.7 Ų47.784%0.84224%0.243SC*.THydrogen-bonded Turntrans-86.4-12.9177.9-58-178.6178.7179-0.2114.2N827 T831N827-R829 PolarHBondContact O-N 3.06Å; N827-R829 VanDerWaalsContact O-N 3.12Å; N827-R829 WeakPolarHBondContact OD1-CB 3.41Å; N827-R829 PolarHBondContact OD1-N 2.89Å; R829-T831 PolarHBondContact O-N 3Å
830S85.7Confident89.8Confident11 Ų1146.8 Ų46.88%0.07723%0.233CC..SBendtrans-64.9131.8174.5-64.30000110D824 N827D824-S830 WeakPolarHBondContact O-CB 3.47Å; D824-S830 PolarHBondContact O-OG 3.48Å; N827-S830 WeakPolarHBondContact CB-OG 3.33Å; N827-S830 WeakPolarHBondContact O-CB 3.46Å; N827-S830 PolarHBondContact O-N 3.17Å; N827-S830 PolarHBondContact O-OG 3.32Å
831T87.9Confident90Very high45 Ų4542.4 Ų42.428%0.27621%0.213SC..  trans-64.5155.3171.852.60000111.2R829 S833 I834 R835R829-T831 PolarHBondContact O-N 3Å; T831-S833 PolarHBondContact O-N 3.35Å; T831-S833 VanDerWaalsContact O-N 3.14Å; T831-I834 PolarHBondContact O-N 3.43Å; T831-I834 WeakPolarHBondContact OG1-CD1 3.35Å; T831-I834 WeakPolarHBondContact OG1-CG1 3.36Å; T831-R835 PolarHBondContact O-N 3.03Å; T831-R835 VanDerWaalsContact O-N 3.08Å
832D87.1Confident90Very high70 Ų7042.2 Ų42.237%0.37421%0.212SC..Hα-helixtrans-54.2-35.4176.6-68.9-20000112.5I834 R835 L836 S869 V872D832-I834 PolarHBondContact O-N 3.31Å; D832-R835 PolarHBondContact O-N 3.15Å; D832-L836 WeakPolarHBondContact O-CB 3.46Å; D832-L836 PolarHBondContact O-N 3.41Å; D832-S869 WeakPolarHBondContact OD2-CB 3.3Å; D832-V872 HydrophobicContact CB-CG2 4.07Å
833S87.5Confident90Very high45 Ų4541.8 Ų41.832%0.31521%0.21SC..Hα-helixtrans-62.2-38.4174.9-55.50000114Y796 T831 L837Y796-S833 WeakPolarHBondContact OH-CB 3.45Å; Y796-S833 PolarHBondContact OH-OG 2.9Å; T831-S833 PolarHBondContact O-N 3.35Å; T831-S833 VanDerWaalsContact O-N 3.14Å; S833-L837 WeakPolarHBondContact O-CB 3.26Å; S833-L837 PolarHBondContact O-N 2.68Å; S833-L837 VanDerWaalsContact O-N 3.08Å
834I89.7Confident90Very high14 Ų1436.7 Ų36.77%0.07219%0.186CC..Hα-helixtrans-71-45177.6-68.6169.7000109.2V783 Y784 D824 T831 D832 L836 L837 A838V783-I834 HydrophobicContact CG1-CG1 4.31Å; Y784-I834 HydrophobicContact CD1-CD1 4.17Å; Y784-I834 HydrophobicContact CD1-CG1 4.34Å; Y784-I834 HydrophobicContact CD1-CG2 4.37Å; Y784-I834 HydrophobicContact CE1-CG2 3.83Å; D824-I834 HydrophobicContact CB-CG2 3.95Å; T831-I834 PolarHBondContact O-N 3.43Å; T831-I834 WeakPolarHBondContact OG1-CD1 3.35Å; T831-I834 WeakPolarHBondContact OG1-CG1 3.36Å; D832-I834 PolarHBondContact O-N 3.31Å; I834-L836 VanDerWaalsContact C-N 3.33Å; I834-L836 PolarHBondContact O-N 2.93Å; I834-L837 PolarHBondContact O-N 2.89Å; I834-A838 VanDerWaalsContact O-CB 3.3Å; I834-A838 WeakPolarHBondContact O-CB 3.47Å; I834-A838 PolarHBondContact O-N 2.88Å
835R90.9Very high90.1Very high42 Ų4236.2 Ų36.216%0.15818%0.184CC..Hα-helixtrans-62.2-41.3176.7-66.1-174.3179.3160.711.9112N827 S828 T831 D832 A838 L839 V872N827-R835 PolarHBondContact O-NE 3.42Å; N827-R835 PolarHBondContact O-NH2 3.13Å; S828-R835 VanDerWaalsContact C-NH2 3.29Å; S828-R835 PolarHBondContact O-NH2 3.27Å; S828-R835 VanDerWaalsContact O-NH2 3.08Å; T831-R835 PolarHBondContact O-N 3.03Å; T831-R835 VanDerWaalsContact O-N 3.08Å; D832-R835 PolarHBondContact O-N 3.15Å; R835-A838 PolarHBondContact O-N 3.29Å; R835-L839 WeakPolarHBondContact O-CB 3.34Å; R835-L839 VanDerWaalsContact O-CG 3.3Å; R835-L839 WeakPolarHBondContact O-CG 3.36Å; R835-L839 PolarHBondContact O-N 3.35Å; R835-V872 HydrophobicContact CB-CG2 4.34Å
836L90.8Very high90.1Very high17 Ų1735.6 Ų35.69%0.08918%0.18CC..Hα-helixtrans-59.6-51.7176.4-179.365000110.8Y796 D832 I834 A838 L839 L840 E871 A875Y796-L836 HydrophobicContact CD1-CD2 4Å; Y796-L836 HydrophobicContact CD1-CG 4.31Å; Y796-L836 HydrophobicContact CD2-CD2 3.64Å; Y796-L836 HydrophobicContact CE1-CD2 4.23Å; Y796-L836 HydrophobicContact CE2-CD2 3.88Å; Y796-L836 HydrophobicContact CG-CD2 3.69Å; Y796-L836 HydrophobicContact CG-CG 4.19Å; D832-L836 WeakPolarHBondContact O-CB 3.46Å; D832-L836 PolarHBondContact O-N 3.41Å; I834-L836 VanDerWaalsContact C-N 3.33Å; I834-L836 PolarHBondContact O-N 2.93Å; L836-A838 PolarHBondContact O-N 3.38Å; L836-L839 PolarHBondContact O-N 3.26Å; L836-L840 HydrophobicContact CD1-CD1 4.14Å; L836-L840 HydrophobicContact CD1-CG 4.41Å; L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CB 3.46Å; L836-L840 VanDerWaalsContact O-CG 3.31Å; L836-L840 WeakPolarHBondContact O-CG 3.44Å; L836-L840 PolarHBondContact O-N 3.4Å; L836-E871 HydrophobicContact CD1-CB 4.3Å; L836-A875 HydrophobicContact CD1-CB 3.42Å; L836-A875 VanDerWaalsContact CD1-CB 3.42Å
837L91.8Very high90Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-59.2-45.8176.6175.763.2000111.8T780 V783 Y784 Y796 I799 S833 I834 S841T780-L837 HydrophobicContact CG2-CD2 4.04Å; V783-L837 HydrophobicContact CB-CD2 3.85Å; V783-L837 HydrophobicContact CG1-CB 4.31Å; V783-L837 HydrophobicContact CG1-CD2 4.01Å; V783-L837 HydrophobicContact CG2-CD2 3.82Å; Y784-L837 HydrophobicContact CE2-CD2 4.14Å; Y796-L837 HydrophobicContact CD1-CB 4.28Å; I799-L837 HydrophobicContact CB-CD1 4Å; I799-L837 HydrophobicContact CG2-CD1 3.55Å; S833-L837 WeakPolarHBondContact O-CB 3.26Å; S833-L837 PolarHBondContact O-N 2.68Å; S833-L837 VanDerWaalsContact O-N 3.08Å; I834-L837 PolarHBondContact O-N 2.89Å; L837-S841 VanDerWaalsContact O-CB 3.25Å; L837-S841 WeakPolarHBondContact O-CB 3.42Å; L837-S841 PolarHBondContact O-N 3.16Å; L837-S841 PolarHBondContact O-OG 3.17Å
838A93Very high89.8Confident0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-63.2-46.2-178.800000111.7F821 D824 V825 I834 R835 L836 S841 L842F821-A838 HydrophobicContact CB-CB 3.93Å; F821-A838 HydrophobicContact CD1-CB 3.83Å; F821-A838 HydrophobicContact CG-CB 4.17Å; D824-A838 HydrophobicContact CB-CB 4.14Å; V825-A838 HydrophobicContact CG2-CB 3.68Å; I834-A838 VanDerWaalsContact O-CB 3.3Å; I834-A838 WeakPolarHBondContact O-CB 3.47Å; I834-A838 PolarHBondContact O-N 2.88Å; R835-A838 PolarHBondContact O-N 3.29Å; L836-A838 PolarHBondContact O-N 3.38Å; A838-S841 PolarHBondContact O-N 3.34Å; A838-L842 WeakPolarHBondContact O-CB 3.5Å; A838-L842 WeakPolarHBondContact O-CG 3.31Å; A838-L842 PolarHBondContact O-N 3.39Å
839L93.9Very high90Very high0 Ų032.2 Ų32.20%015%0.153CC..Hα-helixtrans-62-48.3176.8-74.7166.8000112V825 R835 L836 S841 L842 G843 I861 A864 V872 A875 A876 A879V825-L839 HydrophobicContact CG1-CD2 4.02Å; V825-L839 HydrophobicContact CG1-CG 4.34Å; V825-L839 HydrophobicContact CG2-CD2 3.94Å; V825-L839 HydrophobicContact CG2-CG 3.82Å; R835-L839 WeakPolarHBondContact O-CB 3.34Å; R835-L839 VanDerWaalsContact O-CG 3.3Å; R835-L839 WeakPolarHBondContact O-CG 3.36Å; R835-L839 PolarHBondContact O-N 3.35Å; L836-L839 PolarHBondContact O-N 3.26Å; L839-S841 VanDerWaalsContact C-N 3.34Å; L839-S841 PolarHBondContact O-N 3.5Å; L839-L842 PolarHBondContact O-N 3.33Å; L839-G843 PolarHBondContact O-N 3Å; L839-I861 HydrophobicContact CD2-CG1 4.42Å; L839-A864 HydrophobicContact CD1-CB 4.2Å; L839-A864 HydrophobicContact CD2-CB 4.42Å; L839-V872 HydrophobicContact CD1-CG1 3.76Å; L839-A875 HydrophobicContact CB-CB 4.09Å; L839-A875 HydrophobicContact CD1-CB 4.39Å; L839-A876 HydrophobicContact CD1-CB 3.96Å; L839-A876 HydrophobicContact CD2-CB 4.18Å; L839-A879 VanDerWaalsContact O-CB 3.24Å; L839-A879 WeakPolarHBondContact O-CB 3.39Å
840L93.3Very high90.2Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-62.9-42.2178.5-67.3178.5000111.5Y797 A800 L836 G843 E844 A875 Y878Y797-L840 HydrophobicContact CD1-CD1 4.1Å; Y797-L840 HydrophobicContact CD1-CD2 3.94Å; Y797-L840 HydrophobicContact CD2-CD1 4Å; Y797-L840 HydrophobicContact CE1-CD1 4.17Å; Y797-L840 HydrophobicContact CE1-CD2 3.38Å; Y797-L840 HydrophobicContact CE1-CG 4.38Å; Y797-L840 HydrophobicContact CE2-CD1 4.04Å; Y797-L840 HydrophobicContact CE2-CD2 4.37Å; Y797-L840 HydrophobicContact CG-CD1 4.02Å; A800-L840 HydrophobicContact CB-CB 3.64Å; L836-L840 HydrophobicContact CD1-CD1 4.14Å; L836-L840 HydrophobicContact CD1-CG 4.41Å; L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CB 3.46Å; L836-L840 VanDerWaalsContact O-CG 3.31Å; L836-L840 WeakPolarHBondContact O-CG 3.44Å; L836-L840 PolarHBondContact O-N 3.4Å; L840-G843 PolarHBondContact O-N 3.08Å; L840-E844 WeakPolarHBondContact O-CG 3.45Å; L840-E844 PolarHBondContact O-N 3.47Å; L840-A875 HydrophobicContact CD2-CB 3.72Å; L840-A875 HydrophobicContact CG-CB 3.95Å; L840-Y878 HydrophobicContact CD2-CD1 3.65Å; L840-Y878 HydrophobicContact CD2-CE1 4.26Å; L840-Y878 HydrophobicContact CD2-CG 4.42Å
841S93.5Very high90.3Very high0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-65.3-39.8177.6-55.90000111.8F821 L837 A838 L839 G843 V845F821-S841 VanDerWaalsContact CE2-CB 3.44Å; L837-S841 VanDerWaalsContact O-CB 3.25Å; L837-S841 WeakPolarHBondContact O-CB 3.42Å; L837-S841 PolarHBondContact O-N 3.16Å; L837-S841 PolarHBondContact O-OG 3.17Å; A838-S841 PolarHBondContact O-N 3.34Å; L839-S841 VanDerWaalsContact C-N 3.34Å; L839-S841 PolarHBondContact O-N 3.5Å; S841-G843 VanDerWaalsContact C-N 3.33Å; S841-V845 WeakPolarHBondContact O-CB 3.34Å; S841-V845 WeakPolarHBondContact O-CG2 2.87Å; S841-V845 PolarHBondContact O-N 2.93Å
842L94.2Very high90.2Very high1 Ų125.4 Ų25.41%0.00513%0.134CC..Hα-helixtrans-62.4-40.6172.7-74.1169.2000111.6V818 F821 I822 V825 A838 L839 G846 L857 I883V818-L842 HydrophobicContact CB-CD2 4.31Å; V818-L842 HydrophobicContact CG1-CD2 3.76Å; V818-L842 HydrophobicContact CG2-CD2 4.44Å; F821-L842 HydrophobicContact CB-CD1 4.04Å; F821-L842 HydrophobicContact CB-CD2 3.96Å; F821-L842 HydrophobicContact CB-CG 3.78Å; I822-L842 HydrophobicContact CG1-CD1 4.18Å; I822-L842 HydrophobicContact CG1-CD2 4.14Å; V825-L842 HydrophobicContact CG2-CD1 4.35Å; A838-L842 WeakPolarHBondContact O-CB 3.5Å; A838-L842 WeakPolarHBondContact O-CG 3.31Å; A838-L842 PolarHBondContact O-N 3.39Å; L839-L842 PolarHBondContact O-N 3.33Å; L842-G846 WeakPolarHBondContact O-CA 3.48Å; L842-G846 PolarHBondContact O-N 3.38Å; L842-L857 HydrophobicContact CD1-CD1 4.15Å; L842-L857 HydrophobicContact CD2-CD1 4.46Å; L842-I883 HydrophobicContact CB-CD1 4.45Å
843G92.6Very high90.1Very high0 Ų025.2 Ų25.20%015%0.148CC..Hα-helixtrans-58.6-55.2174.500000112.7L839 L840 S841 G846 H847 S882L839-G843 PolarHBondContact O-N 3Å; L840-G843 PolarHBondContact O-N 3.08Å; S841-G843 VanDerWaalsContact C-N 3.33Å; G843-G846 PolarHBondContact O-N 3.2Å; G843-H847 WeakPolarHBondContact O-CB 3.43Å; G843-H847 PolarHBondContact O-N 2.94Å; G843-S882 WeakPolarHBondContact O-CB 3.21Å
844E93.2Very high90Very high14 Ų1426.3 Ų26.37%0.06515%0.148CC..Hα-helixtrans-67.4-36.4-177.2-65.2-77.1-17600112.5A800 K801 A804 L840 Y878A800-E844 HydrophobicContact CB-CG 4.13Å; K801-E844 WeakPolarHBondContact CE-OE1 3.32Å; K801-E844 HydrophobicContact CG-CG 4.03Å; K801-E844 WeakPolarHBondContact CG-OE1 2.97Å; A804-E844 HydrophobicContact CB-CB 3.56Å; L840-E844 WeakPolarHBondContact O-CG 3.45Å; L840-E844 PolarHBondContact O-N 3.47Å; E844-Y878 VanDerWaalsContact CD-OH 3.25Å; E844-Y878 HydrophobicContact CG-CE1 4.34Å; E844-Y878 PolarHBondContact OE1-OH 2.96Å
845V92Very high89.7Confident4 Ų433.3 Ų33.32%0.02419%0.185CC..Hα-helixtrans-68.1-47172.71730000110.4A804 T807 V818 S841 H847 H848 I849 L851A804-V845 HydrophobicContact CB-CG2 4.08Å; T807-V845 HydrophobicContact CG2-CG1 4.11Å; T807-V845 HydrophobicContact CG2-CG2 4.38Å; V818-V845 HydrophobicContact CG2-CG1 3.92Å; S841-V845 WeakPolarHBondContact O-CB 3.34Å; S841-V845 WeakPolarHBondContact O-CG2 2.87Å; S841-V845 PolarHBondContact O-N 2.93Å; V845-H847 PolarHBondContact O-N 3.19Å; V845-H848 PolarHBondContact O-N 2.98Å; V845-H848 VanDerWaalsContact O-N 3.14Å; V845-I849 HydrophobicContact CG1-CD1 4.26Å; V845-I849 PolarHBondContact O-N 3.49Å; V845-L851 HydrophobicContact CG1-CD2 4.34Å
846G90.8Very high89.6Confident0 Ų036.6 Ų36.60%020%0.202CC..Hα-helixtrans-69-18.9-178.800000114.5L842 G843 H848 I849 G886L842-G846 WeakPolarHBondContact O-CA 3.48Å; L842-G846 PolarHBondContact O-N 3.38Å; G843-G846 PolarHBondContact O-N 3.2Å; G846-H848 VanDerWaalsContact C-N 3.26Å; G846-H848 PolarHBondContact O-N 2.75Å; G846-I849 WeakPolarHBondContact CA-O 3.29Å; G846-G886 VanDerWaalsContact O-CA 3.3Å; G846-G886 WeakPolarHBondContact O-CA 3.47Å; G846-G886 PolarHBondContact O-N 3.49Å
847H89.2Confident89.5Confident43 Ų4335.8 Ų35.820%0.19920%0.198CC..Hα-helixtrans-62.9-34.6170.5-171.7107.1000112.2G843 V845 S882G843-H847 WeakPolarHBondContact O-CB 3.43Å; G843-H847 PolarHBondContact O-N 2.94Å; V845-H847 PolarHBondContact O-N 3.19Å; H847-S882 VanDerWaalsContact CA-O 3.26Å; H847-S882 WeakPolarHBondContact CA-O 3.37Å
848H84.6Confident89.5Confident95 Ų9537.9 Ų37.944%0.4421%0.207SC..Hα-helixtrans-108.5-20.9-174.9-64.6-56.6000114.2V845 G846V845-H848 PolarHBondContact O-N 2.98Å; V845-H848 VanDerWaalsContact O-N 3.14Å; G846-H848 VanDerWaalsContact C-N 3.26Å; G846-H848 PolarHBondContact O-N 2.75Å
849I85.2Confident89.4Confident53 Ų5340.5 Ų40.527%0.27223%0.225SC..SBendtrans-127.2132.3-174.1-56.2179.7000108.9T807 V845 G846 L851T807-I849 HydrophobicContact CG2-CD1 3.93Å; V845-I849 HydrophobicContact CG1-CD1 4.26Å; V845-I849 PolarHBondContact O-N 3.49Å; G846-I849 WeakPolarHBondContact CA-O 3.29Å; I849-L851 HydrophobicContact CG2-CD2 4.38Å; I849-L851 PolarHBondContact O-N 3.24Å
850D87.8Confident89.3Confident80 Ų8040.6 Ų40.643%0.42823%0.226SC..  trans-65.5115.5175-177.915.6000111.2S852 N887D850-S852 WeakPolarHBondContact OD1-CB 3.44Å; D850-S852 PolarHBondContact OD1-N 3.45Å; D850-S852 PolarHBondContact OD1-OG 2.86Å; D850-S852 PolarHBondContact OD2-OG 3.23Å; D850-N887 VanDerWaalsContact CG-ND2 3.31Å; D850-N887 WeakPolarHBondContact OD1-CB 3.22Å; D850-N887 PolarHBondContact OD1-ND2 3.15Å; D850-N887 PolarHBondContact OD2-ND2 3.31Å; D850-N887 VanDerWaalsContact OD2-ND2 3.08Å
851L87.7Confident89.2Confident13 Ų1340.6 Ų40.67%0.06823%0.226CC..  trans-10010177.8-57.6-174.4000113.2V818 V845 I849 G853 Q854 L857 I883V818-L851 HydrophobicContact CG1-CD1 4.29Å; V818-L851 HydrophobicContact CG1-CD2 4.2Å; V818-L851 HydrophobicContact CG2-CD1 4.45Å; V818-L851 HydrophobicContact CG2-CD2 3.92Å; V845-L851 HydrophobicContact CG1-CD2 4.34Å; I849-L851 HydrophobicContact CG2-CD2 4.38Å; I849-L851 PolarHBondContact O-N 3.24Å; L851-G853 PolarHBondContact O-N 3.23Å; L851-Q854 WeakPolarHBondContact O-CB 3.27Å; L851-Q854 PolarHBondContact O-N 3.3Å; L851-L857 HydrophobicContact CB-CD2 3.7Å; L851-L857 HydrophobicContact CD1-CD2 4.01Å; L851-I883 HydrophobicContact CD1-CG1 4.39Å
852S85.2Confident89.1Confident43 Ų4341.5 Ų41.530%0.30123%0.23SC..THydrogen-bonded Turntrans-56.3-24.4-179.165.30000114D850 Q854D850-S852 WeakPolarHBondContact OD1-CB 3.44Å; D850-S852 PolarHBondContact OD1-N 3.45Å; D850-S852 PolarHBondContact OD1-OG 2.86Å; D850-S852 PolarHBondContact OD2-OG 3.23Å; S852-Q854 PolarHBondContact O-N 3.31Å
853G84.4Confident89Confident65 Ų6547.3 Ų47.367%0.6726%0.258SS*.THydrogen-bonded Turntrans-64.9-17.2173.800000114.8L851 L855L851-G853 PolarHBondContact O-N 3.23Å; G853-L855 PolarHBondContact O-N 3.18Å
854Q85.9Confident88.9Confident68 Ų6847.8 Ų47.832%0.31826%0.262SS..  trans-90.883.7177.2-61.7-66.4-17.200110.4V818 I822 L851 S852 E856 L857V818-Q854 HydrophobicContact CG1-CG 3.93Å; I822-Q854 HydrophobicContact CD1-CB 3.89Å; I822-Q854 HydrophobicContact CD1-CG 3.96Å; L851-Q854 WeakPolarHBondContact O-CB 3.27Å; L851-Q854 PolarHBondContact O-N 3.3Å; S852-Q854 PolarHBondContact O-N 3.31Å; Q854-E856 PolarHBondContact O-N 2.88Å; Q854-L857 HydrophobicContact CB-CB 4.05Å; Q854-L857 HydrophobicContact CB-CD2 4.49Å; Q854-L857 WeakPolarHBondContact O-CB 3.27Å; Q854-L857 PolarHBondContact O-N 3.47Å
855L83.4Confident88.8Confident162 Ų16247.5 Ų47.585%0.84826%0.26SS*.THydrogen-bonded Turntrans-55.2-30.8-170.8-62.7175.1000114.8G853G853-L855 PolarHBondContact O-N 3.18Å
856E89Confident88.7Confident111 Ų11151.2 Ų51.252%0.51929%0.286SS..THydrogen-bonded Turntrans-84.6-9.7-178.8-55.4-173.8118.200113.6K826 Q854 K858 S859 V860K826-E856 IonicContact NZ-OE1 3.58Å; K826-E856 PolarHBondContact NZ-OE1 2.76Å; K826-E856 IonicContact NZ-OE2 2.76Å; K826-E856 PolarHBondContact NZ-OE2 3.28Å; Q854-E856 PolarHBondContact O-N 2.88Å; E856-K858 VanDerWaalsContact C-N 3.3Å; E856-K858 PolarHBondContact O-N 3.44Å; E856-S859 PolarHBondContact O-N 3.16Å; E856-S859 PolarHBondContact O-OG 3.32Å; E856-V860 VanDerWaalsContact O-CG2 3.24Å; E856-V860 WeakPolarHBondContact O-CG2 3.44Å; E856-V860 PolarHBondContact O-N 3.38Å; E856-V860 VanDerWaalsContact O-N 3.1Å
857L89.8Confident88.6Confident0 Ų051.8 Ų51.80%029%0.29CS..Hα-helixtrans-60.2-40.1-171.6-178.259.4000112.3I822 L842 L851 Q854 V860 I861 I883I822-L857 HydrophobicContact CD1-CB 4.45Å; I822-L857 HydrophobicContact CD1-CD1 4.06Å; I822-L857 HydrophobicContact CG1-CD1 3.9Å; L842-L857 HydrophobicContact CD1-CD1 4.15Å; L842-L857 HydrophobicContact CD2-CD1 4.46Å; L851-L857 HydrophobicContact CB-CD2 3.7Å; L851-L857 HydrophobicContact CD1-CD2 4.01Å; Q854-L857 HydrophobicContact CB-CB 4.05Å; Q854-L857 HydrophobicContact CB-CD2 4.49Å; Q854-L857 WeakPolarHBondContact O-CB 3.27Å; Q854-L857 PolarHBondContact O-N 3.47Å; L857-V860 PolarHBondContact O-N 3Å; L857-I861 HydrophobicContact CD1-CD1 3.78Å; L857-I861 HydrophobicContact CD1-CG1 4.19Å; L857-I861 HydrophobicContact CG-CD1 3.91Å; L857-I861 WeakPolarHBondContact O-CG1 3.48Å; L857-I861 PolarHBondContact O-N 3.14Å; L857-I861 VanDerWaalsContact O-N 3.1Å; L857-I883 HydrophobicContact CD1-CD1 4.45Å; L857-I883 HydrophobicContact CD2-CD1 4.08Å; L857-I883 HydrophobicContact CD2-CG2 4.34Å; L857-I883 HydrophobicContact CG-CD1 4.41Å
858K90.3Very high88.5Confident44 Ų4455.5 Ų55.519%0.19132%0.318CS..Hα-helixtrans-60.9-47.7179.3-66.4-176-171.2-175.80111.8E856 L862 E890 Y891 F894E856-K858 VanDerWaalsContact C-N 3.3Å; E856-K858 PolarHBondContact O-N 3.44Å; K858-L862 WeakPolarHBondContact O-CG 3.37Å; K858-L862 PolarHBondContact O-N 3.08Å; K858-E890 PolarHBondContact NZ-O 3.35Å; K858-E890 IonicContact NZ-OE1 3.55Å; K858-E890 PolarHBondContact NZ-OE1 3.12Å; K858-Y891 HydrophobicContact CD-CD1 4.41Å; K858-Y891 HydrophobicContact CD-CE1 4.19Å; K858-Y891 HydrophobicContact CG-CD1 4.16Å; K858-Y891 HydrophobicContact CG-CE1 3.63Å; K858-F894 HydrophobicContact CB-CE1 4.19Å; K858-F894 HydrophobicContact CB-CZ 3.93Å; K858-F894 HydrophobicContact CD-CD1 4.3Å; K858-F894 HydrophobicContact CD-CD2 4.4Å; K858-F894 HydrophobicContact CD-CE1 4.3Å; K858-F894 HydrophobicContact CD-CE2 4.4Å; K858-F894 HydrophobicContact CD-CG 4.32Å; K858-F894 HydrophobicContact CD-CZ 4.32Å; K858-F894 HydrophobicContact CG-CE1 4.28Å; K858-F894 HydrophobicContact CG-CZ 4.41Å
859S90.7Very high88.7Confident54 Ų5451.6 Ų51.638%0.37830%0.301SS..Hα-helixtrans-68.6-39.9-178.956.60000111.7E856 I861 L862 E863E856-S859 PolarHBondContact O-N 3.16Å; E856-S859 PolarHBondContact O-OG 3.32Å; S859-I861 PolarHBondContact O-N 3.04Å; S859-L862 PolarHBondContact O-N 2.81Å; S859-E863 WeakPolarHBondContact O-CB 3.47Å; S859-E863 WeakPolarHBondContact O-CG 3.25Å; S859-E863 PolarHBondContact O-N 3.5Å
860V92Very high88.9Confident2 Ų254.5 Ų54.51%0.01231%0.314CS..Hα-helixtrans-60.2-44.9178.3173.50000112I822 V825 K826 E856 L857 E863 A864I822-V860 HydrophobicContact CG2-CG2 4.21Å; V825-V860 HydrophobicContact CB-CG1 3.83Å; V825-V860 HydrophobicContact CG1-CG1 3.48Å; V825-V860 VanDerWaalsContact CG1-CG1 3.48Å; K826-V860 HydrophobicContact CD-CG2 3.88Å; K826-V860 HydrophobicContact CG-CG1 4.1Å; K826-V860 HydrophobicContact CG-CG2 3.59Å; E856-V860 VanDerWaalsContact O-CG2 3.24Å; E856-V860 WeakPolarHBondContact O-CG2 3.44Å; E856-V860 PolarHBondContact O-N 3.38Å; E856-V860 VanDerWaalsContact O-N 3.1Å; L857-V860 PolarHBondContact O-N 3Å; V860-E863 PolarHBondContact O-N 3.12Å; V860-A864 PolarHBondContact O-N 3.33Å; V860-A864 VanDerWaalsContact O-N 3.14Å
861I92.1Very high88.9Confident1 Ų154.1 Ų54.11%0.00531%0.31CS..Hα-helixtrans-67.3-41.5178.7-65.3168.4000110.8L839 L857 S859 E863 A864 F865 A876 L880 I883L839-I861 HydrophobicContact CD2-CG1 4.42Å; L857-I861 HydrophobicContact CD1-CD1 3.78Å; L857-I861 HydrophobicContact CD1-CG1 4.19Å; L857-I861 HydrophobicContact CG-CD1 3.91Å; L857-I861 WeakPolarHBondContact O-CG1 3.48Å; L857-I861 PolarHBondContact O-N 3.14Å; L857-I861 VanDerWaalsContact O-N 3.1Å; S859-I861 PolarHBondContact O-N 3.04Å; I861-E863 PolarHBondContact O-N 3.14Å; I861-A864 WeakPolarHBondContact O-CB 3.45Å; I861-A864 PolarHBondContact O-N 3.15Å; I861-F865 HydrophobicContact CG2-CE1 3.99Å; I861-F865 WeakPolarHBondContact O-CD1 3.02Å; I861-F865 PolarHBondContact O-N 2.91Å; I861-A876 HydrophobicContact CG2-CB 4.21Å; I861-A876 WeakPolarHBondContact CG2-O 3.49Å; I861-L880 HydrophobicContact CG2-CB 3.89Å; I861-I883 HydrophobicContact CD1-CD1 3.39Å
862L91.1Very high89Confident18 Ų1853.6 Ų53.69%0.09431%0.307CS..Hα-helixtrans-65.5-36.3176.7-74.5-173.8000113.1K858 S859 A864 F865 F894 E898 R905 L909K858-L862 WeakPolarHBondContact O-CG 3.37Å; K858-L862 PolarHBondContact O-N 3.08Å; S859-L862 PolarHBondContact O-N 2.81Å; L862-A864 VanDerWaalsContact C-N 3.28Å; L862-A864 PolarHBondContact O-N 3.46Å; L862-F865 WeakPolarHBondContact O-CB 3.26Å; L862-F865 PolarHBondContact O-N 3.24Å; L862-F894 HydrophobicContact CD1-CE1 4.39Å; L862-F894 HydrophobicContact CD1-CE2 4.14Å; L862-F894 HydrophobicContact CD1-CZ 3.47Å; L862-F894 VanDerWaalsContact CD1-CZ 3.47Å; L862-F894 HydrophobicContact CG-CZ 4Å; L862-E898 HydrophobicContact CD1-CG 4.23Å; L862-R905 PolarHBondContact O-NH2 3.35Å; L862-L909 HydrophobicContact CD2-CD2 4.32Å
863E91.3Very high89.4Confident124 Ų12453.5 Ų53.558%0.57930%0.301SS*.Hα-helixtrans-63.4-36.6173.5-76.3172.8-165.800111.3S859 V860 I861 F865 S866S859-E863 WeakPolarHBondContact O-CB 3.47Å; S859-E863 WeakPolarHBondContact O-CG 3.25Å; S859-E863 PolarHBondContact O-N 3.5Å; V860-E863 PolarHBondContact O-N 3.12Å; I861-E863 PolarHBondContact O-N 3.14Å; E863-F865 PolarHBondContact O-N 3.11Å; E863-S866 WeakPolarHBondContact O-CB 3.39Å; E863-S866 PolarHBondContact O-N 3.35Å
864A91.6Very high89.7Confident10 Ų1053.4 Ų53.48%0.08329%0.29CS..Hα-helixtrans-63.5-22177.200000113.5V825 L839 V860 I861 L862 S866 S867 V872 A876V825-A864 HydrophobicContact CG1-CB 4.4Å; L839-A864 HydrophobicContact CD1-CB 4.2Å; L839-A864 HydrophobicContact CD2-CB 4.42Å; V860-A864 PolarHBondContact O-N 3.33Å; V860-A864 VanDerWaalsContact O-N 3.14Å; I861-A864 WeakPolarHBondContact O-CB 3.45Å; I861-A864 PolarHBondContact O-N 3.15Å; L862-A864 VanDerWaalsContact C-N 3.28Å; L862-A864 PolarHBondContact O-N 3.46Å; A864-S866 PolarHBondContact O-N 3.34Å; A864-S867 WeakPolarHBondContact O-CB 3.42Å; A864-S867 PolarHBondContact O-N 3.04Å; A864-S867 VanDerWaalsContact O-N 3.09Å; A864-V872 HydrophobicContact CB-CG1 4.38Å; A864-A876 HydrophobicContact CB-CB 3.77Å
865F90.9Very high90Very high8 Ų850.2 Ų50.24%0.03528%0.275CS..THydrogen-bonded Turntrans-67.7-18.5174.4-74.730.6000112.2I861 L862 E863 A876 L880 R905 L908 L909I861-F865 HydrophobicContact CG2-CE1 3.99Å; I861-F865 WeakPolarHBondContact O-CD1 3.02Å; I861-F865 PolarHBondContact O-N 2.91Å; L862-F865 WeakPolarHBondContact O-CB 3.26Å; L862-F865 PolarHBondContact O-N 3.24Å; E863-F865 PolarHBondContact O-N 3.11Å; F865-A876 HydrophobicContact CD1-CB 3.53Å; F865-A876 VanDerWaalsContact CE1-C 3.45Å; F865-A876 HydrophobicContact CE1-CB 3.5Å; F865-A876 VanDerWaalsContact CE1-CB 3.5Å; F865-L880 HydrophobicContact CZ-CD2 4.01Å; F865-R905 HydrophobicContact CB-CG 4.47Å; F865-R905 HydrophobicContact CD2-CB 4.2Å; F865-R905 HydrophobicContact CD2-CG 4.38Å; F865-L908 HydrophobicContact CB-CD1 4.14Å; F865-L908 HydrophobicContact CD2-CB 3.75Å; F865-L908 HydrophobicContact CD2-CD1 3.82Å; F865-L908 HydrophobicContact CD2-CG 4.46Å; F865-L908 HydrophobicContact CE2-CB 3.57Å; F865-L908 HydrophobicContact CE2-CD1 4.43Å; F865-L908 HydrophobicContact CG-CD1 4.01Å; F865-L908 HydrophobicContact CZ-CB 4.3Å; F865-L909 HydrophobicContact CE2-CD2 3.6Å; F865-L909 HydrophobicContact CE2-CG 3.83Å; F865-L909 HydrophobicContact CZ-CD2 4.17Å
866S89.4Confident90.6Very high82 Ų8242.5 Ų42.557%0.57324%0.235SC*.THydrogen-bonded Turntrans-93.26.9175.7-64.40000113.2E863 A864 R905E863-S866 WeakPolarHBondContact O-CB 3.39Å; E863-S866 PolarHBondContact O-N 3.35Å; A864-S866 PolarHBondContact O-N 3.34Å; S866-R905 PolarHBondContact OG-NH2 3.09Å
867S88.6Confident90.8Very high11 Ų1137.4 Ų37.48%0.07721%0.211CC..  trans-59.6148.1173.7-177.30000111.8A864 S869 K873A864-S867 WeakPolarHBondContact O-CB 3.42Å; A864-S867 PolarHBondContact O-N 3.04Å; A864-S867 VanDerWaalsContact O-N 3.09Å; S867-S869 VanDerWaalsContact C-N 3.28Å; S867-S869 PolarHBondContact O-N 3.45Å; S867-S869 PolarHBondContact OG-N 3.47Å; S867-K873 WeakPolarHBondContact O-CE 3.35Å
868P88.1Confident90.9Very high121 Ų12139.1 Ų39.179%0.78622%0.218SC*.SBendtrans-70.3-21.3170.428.4-34.9000113.6
869S88.2Confident91.1Very high13 Ų1337 Ų379%0.09121%0.209CC..  trans-85.9123.4178.9164.20000111.5D832 S867 E871 V872 K873D832-S869 WeakPolarHBondContact OD2-CB 3.3Å; S867-S869 VanDerWaalsContact C-N 3.28Å; S867-S869 PolarHBondContact O-N 3.45Å; S867-S869 PolarHBondContact OG-N 3.47Å; S869-E871 VanDerWaalsContact C-N 3.28Å; S869-E871 PolarHBondContact O-N 3.28Å; S869-E871 PolarHBondContact OG-N 2.99Å; S869-E871 PolarHBondContact OG-OE2 3.31Å; S869-E871 VanDerWaalsContact OG-OE2 3.1Å; S869-V872 PolarHBondContact O-N 2.85Å; S869-V872 PolarHBondContact OG-N 3.29Å; S869-K873 WeakPolarHBondContact O-CG 3.27Å; S869-K873 PolarHBondContact O-N 3.02Å; S869-K873 VanDerWaalsContact O-N 3.14Å
870E88.9Confident91.3Very high115 Ų11534.5 Ų34.554%0.53719%0.191SC..Hα-helixtrans-63.5-33.2174.6-69.5-57.313800112.1K873 S874E870-K873 PolarHBondContact O-N 3.29Å; E870-K873 IonicContact OE1-NZ 2.94Å; E870-K873 PolarHBondContact OE1-NZ 3.01Å; E870-K873 IonicContact OE2-NZ 2.62Å; E870-S874 WeakPolarHBondContact O-CB 3.38Å; E870-S874 PolarHBondContact O-N 3.21Å
871E87.6Confident91.3Very high72 Ų7234.4 Ų34.434%0.33619%0.191SC..Hα-helixtrans-61.1-45.4174-68.569.7-153.700111.9K793 L836 S869 K873 S874 A875K793-E871 HydrophobicContact CD-CG 4.35Å; K793-E871 VanDerWaalsContact CE-CG 3.5Å; K793-E871 WeakPolarHBondContact CE-OE1 3.32Å; K793-E871 IonicContact NZ-OE1 2.92Å; K793-E871 PolarHBondContact NZ-OE1 3.43Å; L836-E871 HydrophobicContact CD1-CB 4.3Å; S869-E871 VanDerWaalsContact C-N 3.28Å; S869-E871 PolarHBondContact O-N 3.28Å; S869-E871 PolarHBondContact OG-N 2.99Å; S869-E871 PolarHBondContact OG-OE2 3.31Å; S869-E871 VanDerWaalsContact OG-OE2 3.1Å; E871-K873 VanDerWaalsContact C-N 3.35Å; E871-S874 PolarHBondContact O-N 3.49Å; E871-A875 WeakPolarHBondContact O-CB 3.22Å; E871-A875 PolarHBondContact O-N 2.8Å
872V90.9Very high91.4Very high1 Ų134.4 Ų34.41%0.00619%0.191CC..Hα-helixtrans-65.2-40.5178.2174.90000110.5D832 R835 L839 A864 S869 A875 A876D832-V872 HydrophobicContact CB-CG2 4.07Å; R835-V872 HydrophobicContact CB-CG2 4.34Å; L839-V872 HydrophobicContact CD1-CG1 3.76Å; A864-V872 HydrophobicContact CB-CG1 4.38Å; S869-V872 PolarHBondContact O-N 2.85Å; S869-V872 PolarHBondContact OG-N 3.29Å; V872-A875 PolarHBondContact O-N 2.66Å; V872-A876 VanDerWaalsContact O-CB 3.3Å; V872-A876 WeakPolarHBondContact O-CB 3.38Å; V872-A876 PolarHBondContact O-N 2.95Å
873K93Very high91.5Very high42 Ų4233.6 Ų33.618%0.18319%0.187CC..Hα-helixtrans-61.6-46.9175.1-67.6-179.4-164.71700112.2S867 S869 E870 E871 A876 S877 L908S867-K873 WeakPolarHBondContact O-CE 3.35Å; S869-K873 WeakPolarHBondContact O-CG 3.27Å; S869-K873 PolarHBondContact O-N 3.02Å; S869-K873 VanDerWaalsContact O-N 3.14Å; E870-K873 PolarHBondContact O-N 3.29Å; E870-K873 IonicContact OE1-NZ 2.94Å; E870-K873 PolarHBondContact OE1-NZ 3.01Å; E870-K873 IonicContact OE2-NZ 2.62Å; E871-K873 VanDerWaalsContact C-N 3.35Å; K873-A876 PolarHBondContact O-N 3.29Å; K873-S877 PolarHBondContact O-N 3.24Å; K873-L908 HydrophobicContact CB-CD1 3.84Å; K873-L908 HydrophobicContact CB-CD2 4.08Å; K873-L908 HydrophobicContact CD-CD1 4.12Å; K873-L908 HydrophobicContact CG-CD1 4.24Å
874S91.4Very high91.5Very high62 Ų6227.7 Ų27.743%0.43416%0.159SC..Hα-helixtrans-63.9-42.6179.1178.90000111.6E870 E871 S877 Y878E870-S874 WeakPolarHBondContact O-CB 3.38Å; E870-S874 PolarHBondContact O-N 3.21Å; E871-S874 PolarHBondContact O-N 3.49Å; S874-S877 WeakPolarHBondContact O-CB 3.32Å; S874-S877 PolarHBondContact O-N 2.88Å; S874-Y878 PolarHBondContact O-N 2.88Å
875A92.2Very high91.4Very high1 Ų128.5 Ų28.51%0.00816%0.163CC..Hα-helixtrans-68-35.3175.800000113.2L836 L839 L840 E871 V872 S877 Y878 A879L836-A875 HydrophobicContact CD1-CB 3.42Å; L836-A875 VanDerWaalsContact CD1-CB 3.42Å; L839-A875 HydrophobicContact CB-CB 4.09Å; L839-A875 HydrophobicContact CD1-CB 4.39Å; L840-A875 HydrophobicContact CD2-CB 3.72Å; L840-A875 HydrophobicContact CG-CB 3.95Å; E871-A875 WeakPolarHBondContact O-CB 3.22Å; E871-A875 PolarHBondContact O-N 2.8Å; V872-A875 PolarHBondContact O-N 2.66Å; A875-S877 VanDerWaalsContact C-N 3.34Å; A875-Y878 PolarHBondContact O-N 2.58Å; A875-A879 WeakPolarHBondContact O-CB 3.4Å; A875-A879 PolarHBondContact O-N 3.34Å
876A94.5Very high91.3Very high0 Ų029.4 Ų29.40%018%0.175CC..Hα-helixtrans-64.7-40.7172.800000111.3L839 I861 A864 F865 V872 K873 A879 L880L839-A876 HydrophobicContact CD1-CB 3.96Å; L839-A876 HydrophobicContact CD2-CB 4.18Å; I861-A876 HydrophobicContact CG2-CB 4.21Å; I861-A876 WeakPolarHBondContact CG2-O 3.49Å; A864-A876 HydrophobicContact CB-CB 3.77Å; F865-A876 HydrophobicContact CD1-CB 3.53Å; F865-A876 VanDerWaalsContact CE1-C 3.45Å; F865-A876 HydrophobicContact CE1-CB 3.5Å; F865-A876 VanDerWaalsContact CE1-CB 3.5Å; V872-A876 VanDerWaalsContact O-CB 3.3Å; V872-A876 WeakPolarHBondContact O-CB 3.38Å; V872-A876 PolarHBondContact O-N 2.95Å; K873-A876 PolarHBondContact O-N 3.29Å; A876-A879 PolarHBondContact O-N 3.24Å; A876-L880 WeakPolarHBondContact O-CB 3.33Å; A876-L880 PolarHBondContact O-N 3.46Å
877S93.7Very high91.3Very high4 Ų427.1 Ų27.13%0.02816%0.156CC..Hα-helixtrans-61.6-47.5174.4170.20000111.9K873 S874 A875 L880 G881 L908 H911 S912K873-S877 PolarHBondContact O-N 3.24Å; S874-S877 WeakPolarHBondContact O-CB 3.32Å; S874-S877 PolarHBondContact O-N 2.88Å; A875-S877 VanDerWaalsContact C-N 3.34Å; S877-L880 PolarHBondContact O-N 3.4Å; S877-G881 PolarHBondContact O-N 2.9Å; S877-G881 VanDerWaalsContact O-N 3.1Å; S877-L908 WeakPolarHBondContact CB-O 3.18Å; S877-L908 PolarHBondContact OG-O 3.4Å; S877-H911 VanDerWaalsContact OG-CB 3.3Å; S877-H911 WeakPolarHBondContact OG-CB 3.45Å; S877-S912 WeakPolarHBondContact CA-OG 3.18Å; S877-S912 WeakPolarHBondContact O-CB 3.21Å; S877-S912 PolarHBondContact O-OG 2.97Å; S877-S912 PolarHBondContact OG-N 2.72Å; S877-S912 PolarHBondContact OG-OG 2.87Å
878Y93.3Very high91.3Very high37 Ų3727.4 Ų27.415%0.14516%0.156CC..Hα-helixtrans-60.1-45.5174.4174.3-99.7000112.2Y797 L840 E844 S874 A875 G881 S882 E915Y797-Y878 HydrophobicContact CE1-CD1 4.21Å; Y797-Y878 HydrophobicContact CE1-CE1 4.29Å; Y797-Y878 HydrophobicContact CE1-CG 4.42Å; L840-Y878 HydrophobicContact CD2-CD1 3.65Å; L840-Y878 HydrophobicContact CD2-CE1 4.26Å; L840-Y878 HydrophobicContact CD2-CG 4.42Å; E844-Y878 VanDerWaalsContact CD-OH 3.25Å; E844-Y878 HydrophobicContact CG-CE1 4.34Å; E844-Y878 PolarHBondContact OE1-OH 2.96Å; S874-Y878 PolarHBondContact O-N 2.88Å; A875-Y878 PolarHBondContact O-N 2.58Å; Y878-G881 PolarHBondContact O-N 2.97Å; Y878-S882 WeakPolarHBondContact CE2-OG 3.36Å; Y878-S882 WeakPolarHBondContact O-CB 3.49Å; Y878-S882 PolarHBondContact O-N 3.23Å; Y878-S882 PolarHBondContact O-OG 2.78Å; Y878-S882 VanDerWaalsContact O-OG 3.05Å; Y878-S882 PolarHBondContact OH-OG 3.46Å; Y878-E915 HydrophobicContact CD2-CG 4.23Å; Y878-E915 HydrophobicContact CE2-CG 4.26Å
879A94.2Very high91.4Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-61.6-46179.600000111.7L839 A875 A876 G881 S882 I883L839-A879 VanDerWaalsContact O-CB 3.24Å; L839-A879 WeakPolarHBondContact O-CB 3.39Å; A875-A879 WeakPolarHBondContact O-CB 3.4Å; A875-A879 PolarHBondContact O-N 3.34Å; A876-A879 PolarHBondContact O-N 3.24Å; A879-G881 VanDerWaalsContact C-N 3.33Å; A879-G881 PolarHBondContact O-N 3.04Å; A879-S882 PolarHBondContact O-N 2.93Å; A879-I883 HydrophobicContact CB-CD1 4.41Å; A879-I883 VanDerWaalsContact O-CB 3.3Å; A879-I883 WeakPolarHBondContact O-CB 3.29Å; A879-I883 VanDerWaalsContact O-CD1 3.29Å; A879-I883 WeakPolarHBondContact O-CD1 3.43Å; A879-I883 WeakPolarHBondContact O-CG1 3.29Å; A879-I883 PolarHBondContact O-N 3.08Å
880L94.3Very high91.5Very high1 Ų129.7 Ų29.71%0.00516%0.163CC..Hα-helixtrans-58.7-45.5176.3-175.457000111.6I861 F865 A876 S877 S884 F894 V895 L909I861-L880 HydrophobicContact CG2-CB 3.89Å; F865-L880 HydrophobicContact CZ-CD2 4.01Å; A876-L880 WeakPolarHBondContact O-CB 3.33Å; A876-L880 PolarHBondContact O-N 3.46Å; S877-L880 PolarHBondContact O-N 3.4Å; L880-S884 WeakPolarHBondContact O-CB 3.47Å; L880-S884 PolarHBondContact O-N 3.02Å; L880-S884 VanDerWaalsContact O-N 3.11Å; L880-S884 PolarHBondContact O-OG 3.34Å; L880-F894 HydrophobicContact CD1-CE1 4.2Å; L880-V895 HydrophobicContact CD1-CG2 4.2Å; L880-V895 HydrophobicContact CD2-CG2 4.05Å; L880-V895 HydrophobicContact CG-CG2 3.94Å; L880-L909 HydrophobicContact CD2-CD2 3.81Å
881G92.7Very high91.6Very high0 Ų024.3 Ų24.30%014%0.137CC..Hα-helixtrans-63.3-47.6178.200000112.4S877 Y878 A879 S884 V885 S912 I916S877-G881 PolarHBondContact O-N 2.9Å; S877-G881 VanDerWaalsContact O-N 3.1Å; Y878-G881 PolarHBondContact O-N 2.97Å; A879-G881 VanDerWaalsContact C-N 3.33Å; A879-G881 PolarHBondContact O-N 3.04Å; G881-S884 WeakPolarHBondContact O-CB 3.48Å; G881-S884 PolarHBondContact O-N 3.45Å; G881-V885 PolarHBondContact O-N 3.12Å; G881-S912 WeakPolarHBondContact CA-O 3.44Å; G881-I916 WeakPolarHBondContact O-CG1 3.5Å
882S92.7Very high91.7Very high0 Ų020.9 Ų20.90%012%0.121CC..Hα-helixtrans-66.7-44.3-179.4-62.50000112.7G843 H847 Y878 A879 S884 V885G843-S882 WeakPolarHBondContact O-CB 3.21Å; H847-S882 VanDerWaalsContact CA-O 3.26Å; H847-S882 WeakPolarHBondContact CA-O 3.37Å; Y878-S882 WeakPolarHBondContact CE2-OG 3.36Å; Y878-S882 WeakPolarHBondContact O-CB 3.49Å; Y878-S882 PolarHBondContact O-N 3.23Å; Y878-S882 PolarHBondContact O-OG 2.78Å; Y878-S882 VanDerWaalsContact O-OG 3.05Å; Y878-S882 PolarHBondContact OH-OG 3.46Å; A879-S882 PolarHBondContact O-N 2.93Å; S882-S884 PolarHBondContact O-N 2.9Å; S882-V885 WeakPolarHBondContact O-CB 3.44Å; S882-V885 PolarHBondContact O-N 3.18Å
883I93.7Very high91.7Very high2 Ų223.6 Ų23.61%0.0114%0.139CC..Hα-helixtrans-60-36.8174.9-69.2159.5000111L842 L851 L857 I861 A879 V885 G886 Y891L842-I883 HydrophobicContact CB-CD1 4.45Å; L851-I883 HydrophobicContact CD1-CG1 4.39Å; L857-I883 HydrophobicContact CD1-CD1 4.45Å; L857-I883 HydrophobicContact CD2-CD1 4.08Å; L857-I883 HydrophobicContact CD2-CG2 4.34Å; L857-I883 HydrophobicContact CG-CD1 4.41Å; I861-I883 HydrophobicContact CD1-CD1 3.39Å; A879-I883 HydrophobicContact CB-CD1 4.41Å; A879-I883 VanDerWaalsContact O-CB 3.3Å; A879-I883 WeakPolarHBondContact O-CB 3.29Å; A879-I883 VanDerWaalsContact O-CD1 3.29Å; A879-I883 WeakPolarHBondContact O-CD1 3.43Å; A879-I883 WeakPolarHBondContact O-CG1 3.29Å; A879-I883 PolarHBondContact O-N 3.08Å; I883-V885 PolarHBondContact O-N 3.48Å; I883-G886 PolarHBondContact O-N 2.68Å; I883-G886 VanDerWaalsContact O-N 3.14Å; I883-Y891 HydrophobicContact CG2-CD1 4.24Å; I883-Y891 HydrophobicContact CG2-CD2 4.34Å; I883-Y891 HydrophobicContact CG2-CE1 3.78Å; I883-Y891 HydrophobicContact CG2-CE2 3.91Å
884S91.9Very high91.6Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-63.7-27.5178.1-590000112.7L880 G881 S882 G886 N887 L888 Y891 I916L880-S884 WeakPolarHBondContact O-CB 3.47Å; L880-S884 PolarHBondContact O-N 3.02Å; L880-S884 VanDerWaalsContact O-N 3.11Å; L880-S884 PolarHBondContact O-OG 3.34Å; G881-S884 WeakPolarHBondContact O-CB 3.48Å; G881-S884 PolarHBondContact O-N 3.45Å; S882-S884 PolarHBondContact O-N 2.9Å; S884-G886 VanDerWaalsContact C-N 3.35Å; S884-N887 CarbonylContact O-C 3.54Å; S884-N887 PolarHBondContact O-N 3.47Å; S884-L888 VanDerWaalsContact O-CA 3.22Å; S884-L888 WeakPolarHBondContact O-CA 3.3Å; S884-L888 WeakPolarHBondContact O-CD2 3.49Å; S884-L888 WeakPolarHBondContact O-CG 3.35Å; S884-L888 PolarHBondContact O-N 3.5Å; S884-Y891 VanDerWaalsContact OG-CB 3.27Å; S884-Y891 WeakPolarHBondContact OG-CB 3.41Å; S884-I916 VanDerWaalsContact CB-CD1 3.4Å
885V90Very high91.6Very high26 Ų2620.4 Ų20.416%0.15812%0.117CC..Hα-helixtrans-66.7-37.3175.2178.10000111.2G881 S882 I883 N887G881-V885 PolarHBondContact O-N 3.12Å; S882-V885 WeakPolarHBondContact O-CB 3.44Å; S882-V885 PolarHBondContact O-N 3.18Å; I883-V885 PolarHBondContact O-N 3.48Å; V885-N887 VanDerWaalsContact C-N 3.28Å; V885-N887 PolarHBondContact O-N 2.85Å
886G87.4Confident91.6Very high28 Ų2821.3 Ų21.329%0.28912%0.122SC..Hα-helixtrans-66.1-25.6177.100000114.3G846 I883 S884G846-G886 VanDerWaalsContact O-CA 3.3Å; G846-G886 WeakPolarHBondContact O-CA 3.47Å; G846-G886 PolarHBondContact O-N 3.49Å; I883-G886 PolarHBondContact O-N 2.68Å; I883-G886 VanDerWaalsContact O-N 3.14Å; S884-G886 VanDerWaalsContact C-N 3.35Å
887N89.9Confident91.5Very high33 Ų3327.3 Ų27.318%0.17615%0.15CC..THydrogen-bonded Turntrans-151.777.4175.1-169.1-20.1000111.9D850 S884 V885 P889 E890 Y891D850-N887 VanDerWaalsContact CG-ND2 3.31Å; D850-N887 WeakPolarHBondContact OD1-CB 3.22Å; D850-N887 PolarHBondContact OD1-ND2 3.15Å; D850-N887 PolarHBondContact OD2-ND2 3.31Å; D850-N887 VanDerWaalsContact OD2-ND2 3.08Å; S884-N887 CarbonylContact O-C 3.54Å; S884-N887 PolarHBondContact O-N 3.47Å; V885-N887 VanDerWaalsContact C-N 3.28Å; V885-N887 PolarHBondContact O-N 2.85Å; N887-P889 WeakPolarHBondContact OD1-CD 3.4Å; N887-E890 PolarHBondContact O-N 3.15Å; N887-E890 PolarHBondContact OD1-N 3.24Å; N887-Y891 HydrophobicContact CB-CD2 4.13Å; N887-Y891 HydrophobicContact CB-CE2 4.32Å; N887-Y891 WeakPolarHBondContact O-CD2 3.44Å; N887-Y891 PolarHBondContact O-N 3.27Å
888L89.3Confident91.3Very high17 Ų1728.4 Ų28.49%0.08916%0.155CC..Hα-helixtrans-55.3-44.9-178.1-69.5165.3000113.7S884 E890 L892 I916 A920S884-L888 VanDerWaalsContact O-CA 3.22Å; S884-L888 WeakPolarHBondContact O-CA 3.3Å; S884-L888 WeakPolarHBondContact O-CD2 3.49Å; S884-L888 WeakPolarHBondContact O-CG 3.35Å; S884-L888 PolarHBondContact O-N 3.5Å; L888-E890 VanDerWaalsContact C-N 3.26Å; L888-E890 PolarHBondContact O-N 3.42Å; L888-L892 WeakPolarHBondContact O-CB 3.38Å; L888-L892 PolarHBondContact O-N 2.88Å; L888-I916 HydrophobicContact CD2-CG2 3.55Å; L888-A920 HydrophobicContact CD1-CB 3.88Å; L888-A920 HydrophobicContact CD2-CB 4.14Å
889P89.8Confident91.2Very high86 Ų8626.7 Ų26.756%0.55815%0.148SC*.Hα-helixtrans-58.3-33.6-177.8-27.236.1000115.1N887 P893 Y928N887-P889 WeakPolarHBondContact OD1-CD 3.4Å; P889-P893 VanDerWaalsContact O-CD 3.31Å; P889-P893 WeakPolarHBondContact O-CD 3.32Å; P889-P893 WeakPolarHBondContact O-CG 3.42Å; P889-Y928 WeakPolarHBondContact CA-OH 3.46Å
890E89.2Confident90.8Very high97 Ų9731 Ų3145%0.45318%0.175SC..Hα-helixtrans-88.1-36.7-175-179.359.3-154.700113.1K858 N887 L888K858-E890 PolarHBondContact NZ-O 3.35Å; K858-E890 IonicContact NZ-OE1 3.55Å; K858-E890 PolarHBondContact NZ-OE1 3.12Å; N887-E890 PolarHBondContact O-N 3.15Å; N887-E890 PolarHBondContact OD1-N 3.24Å; L888-E890 VanDerWaalsContact C-N 3.26Å; L888-E890 PolarHBondContact O-N 3.42Å
891Y90.9Very high90.5Very high2 Ų234.4 Ų34.41%0.00820%0.198CC..Hα-helixtrans-101.2-32.8-172-71.8-89.7000114K858 I883 S884 N887 F894 V895K858-Y891 HydrophobicContact CD-CD1 4.41Å; K858-Y891 HydrophobicContact CD-CE1 4.19Å; K858-Y891 HydrophobicContact CG-CD1 4.16Å; K858-Y891 HydrophobicContact CG-CE1 3.63Å; I883-Y891 HydrophobicContact CG2-CD1 4.24Å; I883-Y891 HydrophobicContact CG2-CD2 4.34Å; I883-Y891 HydrophobicContact CG2-CE1 3.78Å; I883-Y891 HydrophobicContact CG2-CE2 3.91Å; S884-Y891 VanDerWaalsContact OG-CB 3.27Å; S884-Y891 WeakPolarHBondContact OG-CB 3.41Å; N887-Y891 HydrophobicContact CB-CD2 4.13Å; N887-Y891 HydrophobicContact CB-CE2 4.32Å; N887-Y891 WeakPolarHBondContact O-CD2 3.44Å; N887-Y891 PolarHBondContact O-N 3.27Å; Y891-F894 WeakPolarHBondContact O-CB 3.43Å; Y891-F894 PolarHBondContact O-N 2.93Å; Y891-V895 WeakPolarHBondContact O-CG2 3.42Å; Y891-V895 PolarHBondContact O-N 3.3Å
892L90.6Very high90.1Very high0 Ų037.1 Ų37.10%021%0.211CC..Hα-helixtrans-64.5-46.9-177.9177.459.4000112.7L888 F894 V895 L896 L913 I916 L925 Y928 I932L888-L892 WeakPolarHBondContact O-CB 3.38Å; L888-L892 PolarHBondContact O-N 2.88Å; L892-F894 PolarHBondContact O-N 3.08Å; L892-V895 PolarHBondContact O-N 3.43Å; L892-L896 HydrophobicContact CD1-CD1 4.27Å; L892-L896 HydrophobicContact CD1-CD2 4.41Å; L892-L896 HydrophobicContact CD1-CG 4.1Å; L892-L896 HydrophobicContact CG-CD1 4.27Å; L892-L896 WeakPolarHBondContact O-CG 3.45Å; L892-L896 PolarHBondContact O-N 2.99Å; L892-L913 HydrophobicContact CD1-CD1 3.96Å; L892-I916 HydrophobicContact CD1-CD1 4.09Å; L892-I916 HydrophobicContact CD1-CG2 4.29Å; L892-L925 HydrophobicContact CD2-CD1 4Å; L892-Y928 HydrophobicContact CD2-CD1 3.83Å; L892-Y928 HydrophobicContact CD2-CD2 3.63Å; L892-Y928 HydrophobicContact CD2-CE1 4.42Å; L892-Y928 HydrophobicContact CD2-CE2 4.24Å; L892-Y928 HydrophobicContact CD2-CG 3.4Å; L892-Y928 VanDerWaalsContact CD2-CG 3.4Å; L892-Y928 HydrophobicContact CG-CD1 4.38Å; L892-Y928 HydrophobicContact CG-CG 4.39Å; L892-I932 HydrophobicContact CD1-CD1 4.49Å; L892-I932 HydrophobicContact CD2-CD1 4.28Å
893P91Very high89.6Confident58 Ų5841.9 Ų41.938%0.37724%0.242SC..Hα-helixtrans-57.7-36.6174.6-25.235.9000112.9P889 L896 Q897 Y928P889-P893 VanDerWaalsContact O-CD 3.31Å; P889-P893 WeakPolarHBondContact O-CD 3.32Å; P889-P893 WeakPolarHBondContact O-CG 3.42Å; P893-L896 PolarHBondContact O-N 2.94Å; P893-Q897 WeakPolarHBondContact O-CB 3.32Å; P893-Q897 PolarHBondContact O-N 2.88Å; P893-Y928 HydrophobicContact CG-CE1 4.27Å
894F91.5Very high89.1Confident36 Ų3651.9 Ų51.916%0.15829%0.285CS..Hα-helixtrans-64.6-47.2175.9166.9-101.6000112K858 L862 L880 Y891 L892 L896 Q897 E898K858-F894 HydrophobicContact CB-CE1 4.19Å; K858-F894 HydrophobicContact CB-CZ 3.93Å; K858-F894 HydrophobicContact CD-CD1 4.3Å; K858-F894 HydrophobicContact CD-CD2 4.4Å; K858-F894 HydrophobicContact CD-CE1 4.3Å; K858-F894 HydrophobicContact CD-CE2 4.4Å; K858-F894 HydrophobicContact CD-CG 4.32Å; K858-F894 HydrophobicContact CD-CZ 4.32Å; K858-F894 HydrophobicContact CG-CE1 4.28Å; K858-F894 HydrophobicContact CG-CZ 4.41Å; L862-F894 HydrophobicContact CD1-CE1 4.39Å; L862-F894 HydrophobicContact CD1-CE2 4.14Å; L862-F894 HydrophobicContact CD1-CZ 3.47Å; L862-F894 VanDerWaalsContact CD1-CZ 3.47Å; L862-F894 HydrophobicContact CG-CZ 4Å; L880-F894 HydrophobicContact CD1-CE1 4.2Å; Y891-F894 WeakPolarHBondContact O-CB 3.43Å; Y891-F894 PolarHBondContact O-N 2.93Å; L892-F894 PolarHBondContact O-N 3.08Å; F894-L896 VanDerWaalsContact C-N 3.35Å; F894-L896 PolarHBondContact O-N 3.27Å; F894-Q897 PolarHBondContact O-N 3.46Å; F894-E898 HydrophobicContact CD2-CG 4.33Å; F894-E898 HydrophobicContact CE1-CG 4.49Å; F894-E898 HydrophobicContact CE2-CG 3.99Å; F894-E898 HydrophobicContact CZ-CG 4.11Å; F894-E898 WeakPolarHBondContact O-CG 3.37Å; F894-E898 PolarHBondContact O-N 3.05Å
895V92Very high88.7Confident0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-59.6-44.9176.2172.70000111.1L880 Y891 L892 Q897 E898 I899 I916L880-V895 HydrophobicContact CD1-CG2 4.2Å; L880-V895 HydrophobicContact CD2-CG2 4.05Å; L880-V895 HydrophobicContact CG-CG2 3.94Å; Y891-V895 WeakPolarHBondContact O-CG2 3.42Å; Y891-V895 PolarHBondContact O-N 3.3Å; L892-V895 PolarHBondContact O-N 3.43Å; V895-Q897 VanDerWaalsContact C-N 3.35Å; V895-Q897 PolarHBondContact O-N 3.39Å; V895-E898 PolarHBondContact O-N 3.11Å; V895-I899 HydrophobicContact CG1-CD1 3.94Å; V895-I899 HydrophobicContact CG1-CG1 4.49Å; V895-I899 VanDerWaalsContact O-CG1 3.29Å; V895-I899 WeakPolarHBondContact O-CG1 3.46Å; V895-I899 PolarHBondContact O-N 3.46Å; V895-I916 HydrophobicContact CG1-CD1 4.46Å; V895-I916 HydrophobicContact CG2-CD1 4.26Å
896L91Very high88.6Confident21 Ų2154.7 Ų54.711%0.1130%0.295CS..Hα-helixtrans-63.1-39.7178.8-63.6175.2000112.5L892 P893 F894 T900 L913 N931 I932 L935L892-L896 HydrophobicContact CD1-CD1 4.27Å; L892-L896 HydrophobicContact CD1-CD2 4.41Å; L892-L896 HydrophobicContact CD1-CG 4.1Å; L892-L896 HydrophobicContact CG-CD1 4.27Å; L892-L896 WeakPolarHBondContact O-CG 3.45Å; L892-L896 PolarHBondContact O-N 2.99Å; P893-L896 PolarHBondContact O-N 2.94Å; F894-L896 VanDerWaalsContact C-N 3.35Å; F894-L896 PolarHBondContact O-N 3.27Å; L896-T900 PolarHBondContact O-N 3.34Å; L896-T900 PolarHBondContact O-OG1 3.28Å; L896-T900 VanDerWaalsContact O-OG1 3.11Å; L896-L913 HydrophobicContact CD2-CD1 4.18Å; L896-L913 HydrophobicContact CD2-CD2 4.32Å; L896-N931 HydrophobicContact CD1-CB 4.26Å; L896-I932 HydrophobicContact CD1-CG1 4.35Å; L896-I932 HydrophobicContact CD2-CG1 4.14Å; L896-L935 HydrophobicContact CD2-CD2 3.48Å; L896-L935 VanDerWaalsContact CD2-CD2 3.48Å
897Q91.8Very high88.7Confident125 Ų12558 Ų5858%0.58430%0.299SS*.Hα-helixtrans-65.1-43.1175.9-176.91780.100111.7P893 F894 V895 T900 S901P893-Q897 WeakPolarHBondContact O-CB 3.32Å; P893-Q897 PolarHBondContact O-N 2.88Å; F894-Q897 PolarHBondContact O-N 3.46Å; V895-Q897 VanDerWaalsContact C-N 3.35Å; V895-Q897 PolarHBondContact O-N 3.39Å; Q897-T900 PolarHBondContact O-N 2.89Å; Q897-S901 WeakPolarHBondContact O-CB 3.37Å; Q897-S901 PolarHBondContact O-N 3.42Å; Q897-S901 PolarHBondContact O-OG 3.29Å
898E91.1Very high88.7Confident27 Ų2757.5 Ų57.513%0.12630%0.296CS..Hα-helixtrans-66-39.1179-74.2-63.9126.900112.2L862 F894 V895 T900 S901 Q902 L909L862-E898 HydrophobicContact CD1-CG 4.23Å; F894-E898 HydrophobicContact CD2-CG 4.33Å; F894-E898 HydrophobicContact CE1-CG 4.49Å; F894-E898 HydrophobicContact CE2-CG 3.99Å; F894-E898 HydrophobicContact CZ-CG 4.11Å; F894-E898 WeakPolarHBondContact O-CG 3.37Å; F894-E898 PolarHBondContact O-N 3.05Å; V895-E898 PolarHBondContact O-N 3.11Å; E898-T900 PolarHBondContact O-N 2.96Å; E898-S901 PolarHBondContact O-N 3.36Å; E898-Q902 PolarHBondContact O-N 3.33Å; E898-Q902 PolarHBondContact OE2-NE2 3.33Å; E898-L909 HydrophobicContact CB-CD1 3.77Å; E898-L909 HydrophobicContact CB-CD2 4.19Å
899I89.7Confident88.9Confident1 Ų156.7 Ų56.71%0.00529%0.292CS..Hα-helixtrans-58.5-41.1176.6-67.6164000110.6V895 Q906 L909 L910 L913 L935V895-I899 HydrophobicContact CG1-CD1 3.94Å; V895-I899 HydrophobicContact CG1-CG1 4.49Å; V895-I899 VanDerWaalsContact O-CG1 3.29Å; V895-I899 WeakPolarHBondContact O-CG1 3.46Å; V895-I899 PolarHBondContact O-N 3.46Å; I899-Q906 HydrophobicContact CG2-CG 4.49Å; I899-L909 HydrophobicContact CD1-CB 4.29Å; I899-L909 HydrophobicContact CG1-CB 3.42Å; I899-L909 VanDerWaalsContact CG1-CB 3.42Å; I899-L909 HydrophobicContact CG1-CD1 4.23Å; I899-L909 HydrophobicContact CG1-CG 4.4Å; I899-L910 HydrophobicContact CG2-CD2 4.42Å; I899-L913 HydrophobicContact CD1-CB 4.18Å; I899-L913 HydrophobicContact CD1-CD2 3.94Å; I899-L935 HydrophobicContact CB-CD2 4Å; I899-L935 HydrophobicContact CD1-CD2 3.74Å; I899-L935 HydrophobicContact CG1-CD2 4.46Å; I899-L935 HydrophobicContact CG2-CD1 4Å; I899-L935 HydrophobicContact CG2-CD2 3.85Å; I899-L935 HydrophobicContact CG2-CG 4.17Å
900T87.1Confident89Confident92 Ų9252.6 Ų52.656%0.56427%0.266SS*.Hα-helixtrans-73.6-35.2-179.8-52.90000111.8L896 Q897 E898L896-T900 PolarHBondContact O-N 3.34Å; L896-T900 PolarHBondContact O-OG1 3.28Å; L896-T900 VanDerWaalsContact O-OG1 3.11Å; Q897-T900 PolarHBondContact O-N 2.89Å; E898-T900 PolarHBondContact O-N 2.96Å
901S87.8Confident89.1Confident71 Ų7150.2 Ų50.250%0.49725%0.254SS..Hα-helixtrans-86.6-25.5-170.5-55.60000113.9Q897 E898Q897-S901 WeakPolarHBondContact O-CB 3.37Å; Q897-S901 PolarHBondContact O-N 3.42Å; Q897-S901 PolarHBondContact O-OG 3.29Å; E898-S901 PolarHBondContact O-N 3.36Å
902Q84Confident89.3Confident57 Ų5750.1 Ų50.127%0.26625%0.254SS..  trans-128.286.6-171.1-66.6-168.732.800113.2E898 K904 R905 Q906E898-Q902 PolarHBondContact O-N 3.33Å; E898-Q902 PolarHBondContact OE2-NE2 3.33Å; Q902-K904 PolarHBondContact O-N 2.88Å; Q902-K904 VanDerWaalsContact O-N 3.11Å; Q902-R905 HydrophobicContact CB-CB 4.33Å; Q902-R905 PolarHBondContact O-N 3Å; Q902-Q906 PolarHBondContact O-N 3.28Å
903P81.3Confident89.4Confident101 Ų10150.1 Ų50.166%0.65625%0.254SS*.G310 helixtrans-59.8-29.1-178.922.5-33.2000113.2R905 Q906P903-R905 VanDerWaalsContact C-N 3.3Å; P903-R905 PolarHBondContact O-N 3.46Å; P903-Q906 WeakPolarHBondContact O-CB 3.44Å; P903-Q906 PolarHBondContact O-N 2.87Å
904K83.3Confident89.5Confident211 Ų21149.5 Ų49.592%0.91725%0.245SC*.G310 helixtrans-68-25177.8-67.4-174178.8-178.40114.2Q902Q902-K904 PolarHBondContact O-N 2.88Å; Q902-K904 VanDerWaalsContact O-N 3.11Å
905R85.1Confident89.6Confident51 Ų5149.4 Ų49.419%0.19225%0.245CC..G310 helixtrans-105.6-1.1-178.8-65-170.5-177.5154.6-14.2112.6L862 F865 S866 Q902 P903 Y907 L908 L909L862-R905 PolarHBondContact O-NH2 3.35Å; F865-R905 HydrophobicContact CB-CG 4.47Å; F865-R905 HydrophobicContact CD2-CB 4.2Å; F865-R905 HydrophobicContact CD2-CG 4.38Å; S866-R905 PolarHBondContact OG-NH2 3.09Å; Q902-R905 HydrophobicContact CB-CB 4.33Å; Q902-R905 PolarHBondContact O-N 3Å; P903-R905 VanDerWaalsContact C-N 3.3Å; P903-R905 PolarHBondContact O-N 3.46Å; R905-Y907 PolarHBondContact O-N 3.5Å; R905-L908 PolarHBondContact O-N 2.93Å; R905-L909 HydrophobicContact CB-CD1 3.99Å; R905-L909 HydrophobicContact CB-CG 4.37Å; R905-L909 WeakPolarHBondContact O-CG 3.49Å; R905-L909 PolarHBondContact O-N 3.43Å
906Q86.9Confident89.6Confident35 Ų3549.4 Ų49.416%0.16425%0.245CC..Hα-helixtrans-53.1-47.9-171.8175.7171.98700113.4I899 Q902 P903 L908 L909 L910 H939I899-Q906 HydrophobicContact CG2-CG 4.49Å; Q902-Q906 PolarHBondContact O-N 3.28Å; P903-Q906 WeakPolarHBondContact O-CB 3.44Å; P903-Q906 PolarHBondContact O-N 2.87Å; Q906-L908 VanDerWaalsContact C-N 3.35Å; Q906-L908 PolarHBondContact O-N 2.84Å; Q906-L909 PolarHBondContact O-N 3.13Å; Q906-L910 HydrophobicContact CG-CD1 3.92Å; Q906-L910 HydrophobicContact CG-CG 4.36Å; Q906-L910 WeakPolarHBondContact O-CB 3.25Å; Q906-L910 WeakPolarHBondContact O-CG 3.3Å; Q906-L910 PolarHBondContact O-N 2.77Å; Q906-H939 PolarHBondContact NE2-CE1 3.09Å; Q906-H939 PolarHBondContact NE2-ND1 2.61Å; Q906-H939 PolarHBondContact NE2-NE2 2.79Å
907Y88.7Confident89.7Confident97 Ų9749 Ų4938%0.3824%0.243SC..Hα-helixtrans-56.9-46.6-179.5-179.6-104000112.5R905 L910 H911 V950R905-Y907 PolarHBondContact O-N 3.5Å; Y907-L910 PolarHBondContact O-N 3.27Å; Y907-H911 AromaticContact CE1-CD2 3.69Å; Y907-H911 AromaticContact CE1-NE2 3.54Å; Y907-H911 AromaticContact CE2-NE2 3.71Å; Y907-H911 AromaticContact CZ-CD2 3.72Å; Y907-H911 AromaticContact CZ-NE2 3.16Å; Y907-H911 PolarHBondContact O-CD2 3.49Å; Y907-H911 PolarHBondContact O-N 2.85Å; Y907-H911 PolarHBondContact OH-NE2 3.22Å; Y907-V950 HydrophobicContact CE2-CG2 4.41Å
908L91.6Very high89.5Confident23 Ų2345.4 Ų45.412%0.1223%0.232CC..Hα-helixtrans-68.3-39178.5-66.7170.2000112F865 K873 S877 R905 Q906 L910 H911 S912F865-L908 HydrophobicContact CB-CD1 4.14Å; F865-L908 HydrophobicContact CD2-CB 3.75Å; F865-L908 HydrophobicContact CD2-CD1 3.82Å; F865-L908 HydrophobicContact CD2-CG 4.46Å; F865-L908 HydrophobicContact CE2-CB 3.57Å; F865-L908 HydrophobicContact CE2-CD1 4.43Å; F865-L908 HydrophobicContact CG-CD1 4.01Å; F865-L908 HydrophobicContact CZ-CB 4.3Å; K873-L908 HydrophobicContact CB-CD1 3.84Å; K873-L908 HydrophobicContact CB-CD2 4.08Å; K873-L908 HydrophobicContact CD-CD1 4.12Å; K873-L908 HydrophobicContact CG-CD1 4.24Å; S877-L908 WeakPolarHBondContact CB-O 3.18Å; S877-L908 PolarHBondContact OG-O 3.4Å; R905-L908 PolarHBondContact O-N 2.93Å; Q906-L908 VanDerWaalsContact C-N 3.35Å; Q906-L908 PolarHBondContact O-N 2.84Å; L908-L910 VanDerWaalsContact C-N 3.33Å; L908-H911 PolarHBondContact O-N 3.11Å; L908-S912 PolarHBondContact O-N 3.27Å; L908-S912 PolarHBondContact O-OG 3.29Å
909L92.7Very high89.3Confident0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-69.3-31.9177.9-66.6166.9000112.2L862 F865 L880 E898 I899 R905 Q906 S912 L913L862-L909 HydrophobicContact CD2-CD2 4.32Å; F865-L909 HydrophobicContact CE2-CD2 3.6Å; F865-L909 HydrophobicContact CE2-CG 3.83Å; F865-L909 HydrophobicContact CZ-CD2 4.17Å; L880-L909 HydrophobicContact CD2-CD2 3.81Å; E898-L909 HydrophobicContact CB-CD1 3.77Å; E898-L909 HydrophobicContact CB-CD2 4.19Å; I899-L909 HydrophobicContact CD1-CB 4.29Å; I899-L909 HydrophobicContact CG1-CB 3.42Å; I899-L909 VanDerWaalsContact CG1-CB 3.42Å; I899-L909 HydrophobicContact CG1-CD1 4.23Å; I899-L909 HydrophobicContact CG1-CG 4.4Å; R905-L909 HydrophobicContact CB-CD1 3.99Å; R905-L909 HydrophobicContact CB-CG 4.37Å; R905-L909 WeakPolarHBondContact O-CG 3.49Å; R905-L909 PolarHBondContact O-N 3.43Å; Q906-L909 PolarHBondContact O-N 3.13Å; L909-S912 WeakPolarHBondContact O-CB 3.16Å; L909-S912 PolarHBondContact O-N 3.11Å; L909-L913 PolarHBondContact O-N 3.01Å
910L92Very high89.1Confident0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-65.9-37.1172.3-74.5170.1000111.8I899 Q906 Y907 L908 S912 L913 K914 L936 T947 V950 V951I899-L910 HydrophobicContact CG2-CD2 4.42Å; Q906-L910 HydrophobicContact CG-CD1 3.92Å; Q906-L910 HydrophobicContact CG-CG 4.36Å; Q906-L910 WeakPolarHBondContact O-CB 3.25Å; Q906-L910 WeakPolarHBondContact O-CG 3.3Å; Q906-L910 PolarHBondContact O-N 2.77Å; Y907-L910 PolarHBondContact O-N 3.27Å; L908-L910 VanDerWaalsContact C-N 3.33Å; L910-S912 VanDerWaalsContact C-N 3.35Å; L910-L913 PolarHBondContact O-N 3.48Å; L910-K914 WeakPolarHBondContact O-CB 3.38Å; L910-K914 PolarHBondContact O-N 2.84Å; L910-L936 HydrophobicContact CD2-CD2 4.24Å; L910-T947 HydrophobicContact CD1-CG2 3.66Å; L910-V950 HydrophobicContact CB-CG1 3.99Å; L910-V951 HydrophobicContact CD1-CG2 4.14Å; L910-V951 HydrophobicContact CD2-CG2 4.37Å
911H91.7Very high89Confident46 Ų4646.2 Ų46.221%0.21325%0.245CC..Hα-helixtrans-65.7-36.5170.6-83-76.9000112.4S877 Y907 L908 L913 K914 E915 V950S877-H911 VanDerWaalsContact OG-CB 3.3Å; S877-H911 WeakPolarHBondContact OG-CB 3.45Å; Y907-H911 AromaticContact CE1-CD2 3.69Å; Y907-H911 AromaticContact CE1-NE2 3.54Å; Y907-H911 AromaticContact CE2-NE2 3.71Å; Y907-H911 AromaticContact CZ-CD2 3.72Å; Y907-H911 AromaticContact CZ-NE2 3.16Å; Y907-H911 PolarHBondContact O-CD2 3.49Å; Y907-H911 PolarHBondContact O-N 2.85Å; Y907-H911 PolarHBondContact OH-NE2 3.22Å; L908-H911 PolarHBondContact O-N 3.11Å; H911-L913 VanDerWaalsContact C-N 3.34Å; H911-K914 WeakPolarHBondContact O-CB 3.41Å; H911-K914 PolarHBondContact O-N 3.32Å; H911-E915 PolarHBondContact O-N 3.44Å; H911-V950 VanDerWaalsContact CE1-CG2 3.43Å; H911-V950 WeakPolarHBondContact CE1-CG2 3.39Å; H911-V950 WeakPolarHBondContact NE2-CG2 3.44Å
912S93.5Very high88.8Confident0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-62.4-42.8171.8-56.10000111.3S877 G881 L908 L909 L910 E915 I916S877-S912 WeakPolarHBondContact CA-OG 3.18Å; S877-S912 WeakPolarHBondContact O-CB 3.21Å; S877-S912 PolarHBondContact O-OG 2.97Å; S877-S912 PolarHBondContact OG-N 2.72Å; S877-S912 PolarHBondContact OG-OG 2.87Å; G881-S912 WeakPolarHBondContact CA-O 3.44Å; L908-S912 PolarHBondContact O-N 3.27Å; L908-S912 PolarHBondContact O-OG 3.29Å; L909-S912 WeakPolarHBondContact O-CB 3.16Å; L909-S912 PolarHBondContact O-N 3.11Å; L910-S912 VanDerWaalsContact C-N 3.35Å; S912-E915 WeakPolarHBondContact O-CB 3.48Å; S912-E915 PolarHBondContact O-N 2.96Å; S912-I916 WeakPolarHBondContact O-CG1 3.37Å; S912-I916 PolarHBondContact O-N 3.1Å; S912-I916 VanDerWaalsContact O-N 3.08Å
913L93.9Very high88.8Confident0 Ų050.2 Ų50.20%027%0.27CS..Hα-helixtrans-64.6-39.4175.8-179.861.2000112.1L892 L896 I899 L909 L910 H911 E915 I916 I917 I932 L935 L936L892-L913 HydrophobicContact CD1-CD1 3.96Å; L896-L913 HydrophobicContact CD2-CD1 4.18Å; L896-L913 HydrophobicContact CD2-CD2 4.32Å; I899-L913 HydrophobicContact CD1-CB 4.18Å; I899-L913 HydrophobicContact CD1-CD2 3.94Å; L909-L913 PolarHBondContact O-N 3.01Å; L910-L913 PolarHBondContact O-N 3.48Å; H911-L913 VanDerWaalsContact C-N 3.34Å; L913-E915 VanDerWaalsContact C-N 3.32Å; L913-E915 PolarHBondContact O-N 3.27Å; L913-I916 WeakPolarHBondContact O-CB 3.42Å; L913-I916 PolarHBondContact O-N 3.11Å; L913-I917 HydrophobicContact CD1-CD1 4.23Å; L913-I917 HydrophobicContact CD1-CG1 4.37Å; L913-I917 HydrophobicContact CG-CD1 3.94Å; L913-I917 WeakPolarHBondContact O-CG1 3.35Å; L913-I917 PolarHBondContact O-N 3.41Å; L913-I932 HydrophobicContact CD1-CD1 4.49Å; L913-I932 HydrophobicContact CD1-CG1 4.38Å; L913-I932 HydrophobicContact CD1-CG2 4.32Å; L913-I932 HydrophobicContact CD2-CG2 4.24Å; L913-L935 HydrophobicContact CD2-CD2 4.39Å; L913-L936 HydrophobicContact CD2-CD2 4.13Å
914K92.8Very high88.9Confident46 Ų4646.6 Ų46.620%0.225%0.251CS..Hα-helixtrans-58.8-44.3174.4-169.8-164.888173.30111.9L910 H911 I916 I917 S918 V950 E953 C954L910-K914 WeakPolarHBondContact O-CB 3.38Å; L910-K914 PolarHBondContact O-N 2.84Å; H911-K914 WeakPolarHBondContact O-CB 3.41Å; H911-K914 PolarHBondContact O-N 3.32Å; K914-I916 VanDerWaalsContact C-N 3.35Å; K914-I917 PolarHBondContact O-N 3.13Å; K914-S918 WeakPolarHBondContact O-CB 3.47Å; K914-S918 PolarHBondContact O-N 2.62Å; K914-S918 PolarHBondContact O-OG 3.05Å; K914-V950 HydrophobicContact CB-CG1 4.29Å; K914-V950 HydrophobicContact CD-CG1 4.31Å; K914-E953 HydrophobicContact CD-CG 4.47Å; K914-E953 IonicContact NZ-OE2 2.64Å; K914-C954 VanDerWaalsContact CA-SG 3.52Å; K914-C954 VanDerWaalsContact CB-SG 3.57Å
915E92.7Very high89.1Confident34 Ų3436.6 Ų36.616%0.15921%0.208CC..Hα-helixtrans-60.7-45.3175.6-176.856.9-138.800110.7Y878 H911 S912 L913 I917 S918 S919Y878-E915 HydrophobicContact CD2-CG 4.23Å; Y878-E915 HydrophobicContact CE2-CG 4.26Å; H911-E915 PolarHBondContact O-N 3.44Å; S912-E915 WeakPolarHBondContact O-CB 3.48Å; S912-E915 PolarHBondContact O-N 2.96Å; L913-E915 VanDerWaalsContact C-N 3.32Å; L913-E915 PolarHBondContact O-N 3.27Å; E915-I917 PolarHBondContact O-N 3.02Å; E915-S918 PolarHBondContact O-N 3.34Å; E915-S919 VanDerWaalsContact O-CB 3.26Å; E915-S919 WeakPolarHBondContact O-CB 3.4Å; E915-S919 PolarHBondContact O-N 2.89Å; E915-S919 PolarHBondContact O-OG 3.16Å; E915-S919 PolarHBondContact OE1-OG 2.81Å
916I93.4Very high89.1Confident0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-57.6-50.3175.8-64.9167000111.4G881 S884 L888 L892 V895 S912 L913 K914 S918 S919 A920 L925G881-I916 WeakPolarHBondContact O-CG1 3.5Å; S884-I916 VanDerWaalsContact CB-CD1 3.4Å; L888-I916 HydrophobicContact CD2-CG2 3.55Å; L892-I916 HydrophobicContact CD1-CD1 4.09Å; L892-I916 HydrophobicContact CD1-CG2 4.29Å; V895-I916 HydrophobicContact CG1-CD1 4.46Å; V895-I916 HydrophobicContact CG2-CD1 4.26Å; S912-I916 WeakPolarHBondContact O-CG1 3.37Å; S912-I916 PolarHBondContact O-N 3.1Å; S912-I916 VanDerWaalsContact O-N 3.08Å; L913-I916 WeakPolarHBondContact O-CB 3.42Å; L913-I916 PolarHBondContact O-N 3.11Å; K914-I916 VanDerWaalsContact C-N 3.35Å; I916-S918 VanDerWaalsContact C-N 3.25Å; I916-S918 PolarHBondContact O-N 3.22Å; I916-S919 PolarHBondContact O-N 3.44Å; I916-A920 HydrophobicContact CG2-CB 4.43Å; I916-A920 WeakPolarHBondContact O-CB 3.45Å; I916-A920 PolarHBondContact O-N 3.26Å; I916-L925 HydrophobicContact CG2-CD1 4Å
917I91.7Very high89.2Confident11 Ų1143.5 Ų43.56%0.05625%0.249CC..Hα-helixtrans-63.1-35-178.6-64.6163.6000111.1L913 K914 E915 L925 I932 C954 K957L913-I917 HydrophobicContact CD1-CD1 4.23Å; L913-I917 HydrophobicContact CD1-CG1 4.37Å; L913-I917 HydrophobicContact CG-CD1 3.94Å; L913-I917 WeakPolarHBondContact O-CG1 3.35Å; L913-I917 PolarHBondContact O-N 3.41Å; K914-I917 PolarHBondContact O-N 3.13Å; E915-I917 PolarHBondContact O-N 3.02Å; I917-L925 HydrophobicContact CB-CD2 4.34Å; I917-L925 HydrophobicContact CG1-CD2 4.08Å; I917-L925 HydrophobicContact CG2-CD2 4.3Å; I917-I932 HydrophobicContact CD1-CG2 3.98Å; I917-C954 HydrophobicContact CD1-CB 3.67Å; I917-K957 HydrophobicContact CG2-CB 3.64Å
918S88.4Confident89.3Confident51 Ų5141 Ų4136%0.35724%0.239SC..Hα-helixtrans-77.1-31.6-177.7-54.40000113.3K914 E915 I916 K957K914-S918 WeakPolarHBondContact O-CB 3.47Å; K914-S918 PolarHBondContact O-N 2.62Å; K914-S918 PolarHBondContact O-OG 3.05Å; E915-S918 PolarHBondContact O-N 3.34Å; I916-S918 VanDerWaalsContact C-N 3.25Å; I916-S918 PolarHBondContact O-N 3.22Å; S918-K957 WeakPolarHBondContact OG-CD 3.13Å; S918-K957 PolarHBondContact OG-NZ 3.4Å
919S86.7Confident89.2Confident43 Ų4340.3 Ų40.330%0.30124%0.236SC..Hα-helixtrans-108.1-21-169.1-73.60000113.8E915 I916E915-S919 VanDerWaalsContact O-CB 3.26Å; E915-S919 WeakPolarHBondContact O-CB 3.4Å; E915-S919 PolarHBondContact O-N 2.89Å; E915-S919 PolarHBondContact O-OG 3.16Å; E915-S919 PolarHBondContact OE1-OG 2.81Å; I916-S919 PolarHBondContact O-N 3.44Å
920A86.3Confident89.1Confident17 Ų1744.9 Ų44.914%0.1426%0.257CS..SBendtrans-71.7148.3178.800000112.6L888 I916 L925L888-A920 HydrophobicContact CD1-CB 3.88Å; L888-A920 HydrophobicContact CD2-CB 4.14Å; I916-A920 HydrophobicContact CG2-CB 4.43Å; I916-A920 WeakPolarHBondContact O-CB 3.45Å; I916-A920 PolarHBondContact O-N 3.26Å; A920-L925 HydrophobicContact CB-CD1 4.21Å
921S84.3Confident89Confident76 Ų7649.9 Ų49.953%0.53128%0.283SS..  trans-65.8142.8169.970.70000111.7V923 G924 L925S921-V923 PolarHBondContact O-N 3.14Å; S921-G924 PolarHBondContact O-N 2.96Å; S921-G924 PolarHBondContact OG-N 3.04Å; S921-L925 PolarHBondContact O-N 2.84Å; S921-L925 VanDerWaalsContact O-N 3.13Å
922V83.8Confident89.1Confident88 Ų8847.7 Ų47.753%0.53327%0.273SS..Hα-helixtrans-51.3-42.5177.5178.90000111.6L925 K926 I961V922-L925 PolarHBondContact O-N 2.93Å; V922-K926 PolarHBondContact O-N 3.35Å; V922-I961 HydrophobicContact CG1-CG2 3.96Å
923V83.7Confident89Confident125 Ų12548.1 Ų48.176%0.75828%0.275SS*.Hα-helixtrans-64.6-41.2179.4-178.50000111.7S921S921-V923 PolarHBondContact O-N 3.14Å
924G83.3Confident88.9Confident25 Ų2550.5 Ų50.526%0.25830%0.295SS..Hα-helixtrans-70.4-31.6-179.200000113.5S921 P927S921-G924 PolarHBondContact O-N 2.96Å; S921-G924 PolarHBondContact OG-N 3.04Å; G924-P927 WeakPolarHBondContact O-CD 3.16Å
925L87.7Confident88.8Confident0 Ų048.9 Ų48.90%029%0.288CS..Hα-helixtrans-87.1-26.4-175.9-152.971.3000113.8L892 I916 I917 A920 S921 V922 P927 Y928 V929 I932 L958 I961L892-L925 HydrophobicContact CD2-CD1 4Å; I916-L925 HydrophobicContact CG2-CD1 4Å; I917-L925 HydrophobicContact CB-CD2 4.34Å; I917-L925 HydrophobicContact CG1-CD2 4.08Å; I917-L925 HydrophobicContact CG2-CD2 4.3Å; A920-L925 HydrophobicContact CB-CD1 4.21Å; S921-L925 PolarHBondContact O-N 2.84Å; S921-L925 VanDerWaalsContact O-N 3.13Å; V922-L925 PolarHBondContact O-N 2.93Å; L925-P927 VanDerWaalsContact C-N 3.33Å; L925-P927 VanDerWaalsContact O-N 3.14Å; L925-Y928 PolarHBondContact O-N 3.42Å; L925-V929 PolarHBondContact O-N 3.24Å; L925-I932 HydrophobicContact CD1-CD1 3.98Å; L925-I932 HydrophobicContact CD2-CD1 4.37Å; L925-I932 HydrophobicContact CG-CD1 4.12Å; L925-L958 HydrophobicContact CD2-CD1 4.05Å; L925-I961 HydrophobicContact CB-CD1 4.02Å; L925-I961 HydrophobicContact CD2-CD1 3.34Å; L925-I961 HydrophobicContact CG-CD1 4.2Å
926K86.1Confident88.7Confident134 Ų13447.3 Ų47.358%0.58328%0.281SS*.G310 helixtrans-46.8-42.3-177.2-166.9167.8-174.8165.70115V922 Y928 V929V922-K926 PolarHBondContact O-N 3.35Å; K926-Y928 PolarHBondContact O-N 3.36Å; K926-V929 WeakPolarHBondContact O-CG2 3.37Å; K926-V929 PolarHBondContact O-N 3.13Å
927P88.8Confident88.4Confident97 Ų9748.6 Ų48.663%0.6329%0.288SS*.G310 helixtrans-64.9-19.3178.9-21.734.4000114.9G924 L925G924-P927 WeakPolarHBondContact O-CD 3.16Å; L925-P927 VanDerWaalsContact C-N 3.33Å; L925-P927 VanDerWaalsContact O-N 3.14Å
928Y90.4Very high88.2Confident46 Ų4655.5 Ų55.518%0.1832%0.317CS..G310 helixtrans-105.5-4.6-173.2-56.2-83.2000113.3P889 L892 P893 L925 K926 E930 N931 I932P889-Y928 WeakPolarHBondContact CA-OH 3.46Å; L892-Y928 HydrophobicContact CD2-CD1 3.83Å; L892-Y928 HydrophobicContact CD2-CD2 3.63Å; L892-Y928 HydrophobicContact CD2-CE1 4.42Å; L892-Y928 HydrophobicContact CD2-CE2 4.24Å; L892-Y928 HydrophobicContact CD2-CG 3.4Å; L892-Y928 VanDerWaalsContact CD2-CG 3.4Å; L892-Y928 HydrophobicContact CG-CD1 4.38Å; L892-Y928 HydrophobicContact CG-CG 4.39Å; P893-Y928 HydrophobicContact CG-CE1 4.27Å; L925-Y928 PolarHBondContact O-N 3.42Å; K926-Y928 PolarHBondContact O-N 3.36Å; Y928-E930 PolarHBondContact O-N 3.47Å; Y928-N931 PolarHBondContact O-N 2.84Å; Y928-N931 VanDerWaalsContact O-N 3.12Å; Y928-I932 WeakPolarHBondContact O-CG1 3.3Å; Y928-I932 PolarHBondContact O-N 2.86Å
929V89.8Confident88.1Confident8 Ų854.4 Ų54.45%0.04831%0.306CS..Hα-helixtrans-52.5-50.1-172.9170.10000112.2L925 K926 N931 I932 W933 L958 I961 L966L925-V929 PolarHBondContact O-N 3.24Å; K926-V929 WeakPolarHBondContact O-CG2 3.37Å; K926-V929 PolarHBondContact O-N 3.13Å; V929-N931 VanDerWaalsContact C-N 3.35Å; V929-N931 PolarHBondContact O-N 2.96Å; V929-I932 PolarHBondContact O-N 3.39Å; V929-W933 WeakPolarHBondContact O-CB 3.42Å; V929-W933 PolarHBondContact O-N 2.89Å; V929-L958 HydrophobicContact CB-CD1 4.44Å; V929-L958 HydrophobicContact CG1-CD1 4.27Å; V929-L958 HydrophobicContact CG1-CD2 4.49Å; V929-L958 HydrophobicContact CG1-CG 4.31Å; V929-L958 HydrophobicContact CG2-CD1 3.96Å; V929-I961 HydrophobicContact CG2-CG2 4.22Å; V929-L966 HydrophobicContact CG1-CD1 3.85Å; V929-L966 HydrophobicContact CG1-CD2 4.28Å
930E90.9Very high88.1Confident96 Ų9652.4 Ų52.445%0.44929%0.293SS..Hα-helixtrans-63.5-38.3-178.5-70.4-64.6160.900113Y928 A934 R969Y928-E930 PolarHBondContact O-N 3.47Å; E930-A934 WeakPolarHBondContact O-CB 3.26Å; E930-A934 PolarHBondContact O-N 2.96Å; E930-R969 VanDerWaalsContact CD-NH1 3.3Å; E930-R969 IonicContact OE1-CZ 2.8Å; E930-R969 VanDerWaalsContact OE1-CZ 3.29Å; E930-R969 IonicContact OE1-NH1 2.97Å; E930-R969 PolarHBondContact OE1-NH1 2.87Å; E930-R969 IonicContact OE1-NH2 3.33Å; E930-R969 PolarHBondContact OE1-NH2 3.06Å; E930-R969 IonicContact OE2-CZ 3.54Å; E930-R969 IonicContact OE2-NH1 3.6Å; E930-R969 PolarHBondContact OE2-NH1 3.35Å; E930-R969 IonicContact OE2-NH2 2.81Å
931N90.3Very high88.2Confident104 Ų10456.3 Ų56.356%0.55631%0.308SS*.Hα-helixtrans-69.1-43178.8-67.3-25.6000111.3L896 Y928 V929 L935L896-N931 HydrophobicContact CD1-CB 4.26Å; Y928-N931 PolarHBondContact O-N 2.84Å; Y928-N931 VanDerWaalsContact O-N 3.12Å; V929-N931 VanDerWaalsContact C-N 3.35Å; V929-N931 PolarHBondContact O-N 2.96Å; N931-L935 WeakPolarHBondContact O-CB 3.48Å; N931-L935 PolarHBondContact O-N 3.28Å
932I92Very high88.3Confident0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-64.3-46.8176.2-63.4169.1000109.5L892 L896 L913 I917 L925 Y928 V929 A934 L935 L936 L958L892-I932 HydrophobicContact CD1-CD1 4.49Å; L892-I932 HydrophobicContact CD2-CD1 4.28Å; L896-I932 HydrophobicContact CD1-CG1 4.35Å; L896-I932 HydrophobicContact CD2-CG1 4.14Å; L913-I932 HydrophobicContact CD1-CD1 4.49Å; L913-I932 HydrophobicContact CD1-CG1 4.38Å; L913-I932 HydrophobicContact CD1-CG2 4.32Å; L913-I932 HydrophobicContact CD2-CG2 4.24Å; I917-I932 HydrophobicContact CD1-CG2 3.98Å; L925-I932 HydrophobicContact CD1-CD1 3.98Å; L925-I932 HydrophobicContact CD2-CD1 4.37Å; L925-I932 HydrophobicContact CG-CD1 4.12Å; Y928-I932 WeakPolarHBondContact O-CG1 3.3Å; Y928-I932 PolarHBondContact O-N 2.86Å; V929-I932 PolarHBondContact O-N 3.39Å; I932-A934 PolarHBondContact O-N 3.46Å; I932-L935 WeakPolarHBondContact O-CB 3.33Å; I932-L935 PolarHBondContact O-N 3.21Å; I932-L936 HydrophobicContact CG2-CD1 3.74Å; I932-L936 HydrophobicContact CG2-CG 4.18Å; I932-L936 WeakPolarHBondContact O-CG 3.45Å; I932-L936 PolarHBondContact O-N 3.03Å; I932-L958 HydrophobicContact CB-CD2 4.1Å; I932-L958 HydrophobicContact CG2-CD2 3.73Å
933W91.9Very high88.3Confident10 Ų1053.7 Ų53.74%0.03830%0.298CS..Hα-helixtrans-57.8-50.5179.9-172.9-91.8000112.2V929 L935 L936 L937 L955 L958 L966 R969 L970V929-W933 WeakPolarHBondContact O-CB 3.42Å; V929-W933 PolarHBondContact O-N 2.89Å; W933-L935 VanDerWaalsContact C-N 3.25Å; W933-L935 PolarHBondContact O-N 3.27Å; W933-L936 PolarHBondContact O-N 2.8Å; W933-L937 WeakPolarHBondContact O-CG 3.14Å; W933-L937 PolarHBondContact O-N 2.86Å; W933-L955 HydrophobicContact CD2-CD2 4.17Å; W933-L955 HydrophobicContact CE3-CD2 3.79Å; W933-L955 HydrophobicContact CH2-CD2 4.08Å; W933-L955 HydrophobicContact CZ2-CD2 4.43Å; W933-L955 HydrophobicContact CZ3-CD2 3.74Å; W933-L958 HydrophobicContact CB-CD2 4.29Å; W933-L958 HydrophobicContact CE3-CD2 3.87Å; W933-L958 HydrophobicContact CE3-CG 4.46Å; W933-L966 HydrophobicContact CD2-CD2 3.84Å; W933-L966 HydrophobicContact CE3-CD1 4Å; W933-L966 HydrophobicContact CE3-CD2 3.63Å; W933-L966 HydrophobicContact CE3-CG 4.25Å; W933-L966 HydrophobicContact CG-CD2 4.45Å; W933-L966 HydrophobicContact CH2-CB 4.06Å; W933-L966 HydrophobicContact CH2-CD2 4.25Å; W933-L966 HydrophobicContact CZ2-CD2 4.44Å; W933-L966 HydrophobicContact CZ3-CB 3.89Å; W933-L966 HydrophobicContact CZ3-CD1 3.96Å; W933-L966 HydrophobicContact CZ3-CD2 3.85Å; W933-L966 HydrophobicContact CZ3-CG 4.11Å; W933-R969 HydrophobicContact CZ2-CB 3.79Å; W933-L970 HydrophobicContact CH2-CD2 3.59Å; W933-L970 HydrophobicContact CH2-CG 3.8Å; W933-L970 HydrophobicContact CZ2-CD2 4.17Å
934A91.4Very high88.4Confident50 Ų5052.9 Ų52.941%0.41329%0.286SS..Hα-helixtrans-61.9-32.9178.800000112.8E930 I932 K938E930-A934 WeakPolarHBondContact O-CB 3.26Å; E930-A934 PolarHBondContact O-N 2.96Å; I932-A934 PolarHBondContact O-N 3.46Å; A934-K938 WeakPolarHBondContact O-CG 3.34Å
935L90.7Very high88.5Confident12 Ų1255.9 Ų55.96%0.06329%0.293CS..Hα-helixtrans-71.6-48.3175.3-176.268.9000111.6L896 I899 L913 N931 I932 W933 L937 K938 H939L896-L935 HydrophobicContact CD2-CD2 3.48Å; L896-L935 VanDerWaalsContact CD2-CD2 3.48Å; I899-L935 HydrophobicContact CB-CD2 4Å; I899-L935 HydrophobicContact CD1-CD2 3.74Å; I899-L935 HydrophobicContact CG1-CD2 4.46Å; I899-L935 HydrophobicContact CG2-CD1 4Å; I899-L935 HydrophobicContact CG2-CD2 3.85Å; I899-L935 HydrophobicContact CG2-CG 4.17Å; L913-L935 HydrophobicContact CD2-CD2 4.39Å; N931-L935 WeakPolarHBondContact O-CB 3.48Å; N931-L935 PolarHBondContact O-N 3.28Å; I932-L935 WeakPolarHBondContact O-CB 3.33Å; I932-L935 PolarHBondContact O-N 3.21Å; W933-L935 VanDerWaalsContact C-N 3.25Å; W933-L935 PolarHBondContact O-N 3.27Å; L935-L937 VanDerWaalsContact C-N 3.33Å; L935-L937 PolarHBondContact O-N 3.1Å; L935-K938 WeakPolarHBondContact O-CB 3.48Å; L935-K938 PolarHBondContact O-N 2.96Å; L935-K938 VanDerWaalsContact O-N 3.15Å; L935-H939 PolarHBondContact O-CD2 3Å; L935-H939 VanDerWaalsContact O-CD2 3.24Å
936L91.2Very high88.4Confident0 Ų057.1 Ų57.10%031%0.306CS..Hα-helixtrans-60.7-41.1-179.4-70.9174.1000111.8L910 L913 I932 W933 K938 H939 C940 V951 C954 L955 L958L910-L936 HydrophobicContact CD2-CD2 4.24Å; L913-L936 HydrophobicContact CD2-CD2 4.13Å; I932-L936 HydrophobicContact CG2-CD1 3.74Å; I932-L936 HydrophobicContact CG2-CG 4.18Å; I932-L936 WeakPolarHBondContact O-CG 3.45Å; I932-L936 PolarHBondContact O-N 3.03Å; W933-L936 PolarHBondContact O-N 2.8Å; L936-K938 VanDerWaalsContact C-N 3.28Å; L936-K938 PolarHBondContact O-N 2.97Å; L936-H939 CarbonylContact O-C 2.95Å; L936-H939 WeakPolarHBondContact O-CA 3.41Å; L936-H939 PolarHBondContact O-N 2.92Å; L936-C940 PolarHBondContact O-N 3.27Å; L936-C940 VanDerWaalsContact O-N 3.09Å; L936-V951 HydrophobicContact CB-CG1 4.17Å; L936-V951 HydrophobicContact CD2-CG1 4.28Å; L936-V951 HydrophobicContact CD2-CG2 4.34Å; L936-V951 VanDerWaalsContact O-CG1 3.3Å; L936-V951 WeakPolarHBondContact O-CG1 3.47Å; L936-C954 HydrophobicContact CD1-CB 3.59Å; L936-C954 HydrophobicContact CD2-CB 3.7Å; L936-C954 HydrophobicContact CG-CB 4.32Å; L936-L955 HydrophobicContact CB-CD2 3.77Å; L936-L955 HydrophobicContact CB-CG 4.09Å; L936-L955 HydrophobicContact CD1-CD2 3.94Å; L936-L955 HydrophobicContact CD1-CG 4.14Å; L936-L958 HydrophobicContact CD1-CD2 4.28Å
937L87.9Confident88.5Confident28 Ų2850.9 Ų50.915%0.14728%0.279CS..Hα-helixtrans-62.8-30.9176.7-74.9178000113.6W933 L935 H939 C940 Y973W933-L937 WeakPolarHBondContact O-CG 3.14Å; W933-L937 PolarHBondContact O-N 2.86Å; L935-L937 VanDerWaalsContact C-N 3.33Å; L935-L937 PolarHBondContact O-N 3.1Å; L937-H939 PolarHBondContact O-N 3.24Å; L937-C940 PolarHBondContact O-N 3.46Å; L937-C940 PolarHBondContact O-SG 2.82Å; L937-Y973 HydrophobicContact CD1-CE2 3.86Å; L937-Y973 WeakPolarHBondContact CD1-OH 3.4Å; L937-Y973 HydrophobicContact CD2-CD2 4.25Å; L937-Y973 HydrophobicContact CD2-CE1 4.16Å; L937-Y973 HydrophobicContact CD2-CE2 3.79Å; L937-Y973 HydrophobicContact CG-CE2 4.5Å
938K86.2Confident88.6Confident156 Ų15646.9 Ų46.968%0.67825%0.251SS*.Hα-helixtrans-66-20.1173.5-70.7175.2-177.2177.80112.7A934 L935 L936A934-K938 WeakPolarHBondContact O-CG 3.34Å; L935-K938 WeakPolarHBondContact O-CB 3.48Å; L935-K938 PolarHBondContact O-N 2.96Å; L935-K938 VanDerWaalsContact O-N 3.15Å; L936-K938 VanDerWaalsContact C-N 3.28Å; L936-K938 PolarHBondContact O-N 2.97Å
939H86.9Confident88.6Confident27 Ų2747.9 Ų47.913%0.12526%0.26CS..Hα-helixtrans-108.8-1.8-177.4-62.7-54.6000113.8Q906 L935 L936 L937 E941 C942 V951Q906-H939 PolarHBondContact NE2-CE1 3.09Å; Q906-H939 PolarHBondContact NE2-ND1 2.61Å; Q906-H939 PolarHBondContact NE2-NE2 2.79Å; L935-H939 PolarHBondContact O-CD2 3Å; L935-H939 VanDerWaalsContact O-CD2 3.24Å; L936-H939 CarbonylContact O-C 2.95Å; L936-H939 WeakPolarHBondContact O-CA 3.41Å; L936-H939 PolarHBondContact O-N 2.92Å; L937-H939 PolarHBondContact O-N 3.24Å; H939-E941 PolarHBondContact O-N 2.65Å; H939-C942 WeakPolarHBondContact O-CB 3.43Å; H939-C942 PolarHBondContact O-N 3.39Å; H939-V951 HydrophobicContact CB-CG2 3.79Å
940C86.5Confident88.7Confident2 Ų247.8 Ų47.81%0.01426%0.259CS..THydrogen-bonded Turntrans-69.4-17.2178.9730000113.6L936 L937 V951 S984L936-C940 PolarHBondContact O-N 3.27Å; L936-C940 VanDerWaalsContact O-N 3.09Å; L937-C940 PolarHBondContact O-N 3.46Å; L937-C940 PolarHBondContact O-SG 2.82Å; C940-V951 HydrophobicContact CB-CG1 4.2Å; C940-S984 PolarHBondContact O-OG 3.06Å
941E88.3Confident88.9Confident98 Ų9843.2 Ų43.246%0.45824%0.238SC..THydrogen-bonded Turntrans-10211.8177.8-63.8-174.6174.300113.4H939 A943 S978 A981H939-E941 PolarHBondContact O-N 2.65Å; E941-A943 PolarHBondContact O-N 3.24Å; E941-S978 WeakPolarHBondContact OE1-CB 3.48Å; E941-A981 HydrophobicContact CG-CB 3.85Å
942C86Confident89Confident34 Ų3438.3 Ų38.323%0.2321%0.212CC..  trans-59139.3179.1-170.80000111H939 E944 T947 R948H939-C942 WeakPolarHBondContact O-CB 3.43Å; H939-C942 PolarHBondContact O-N 3.39Å; C942-E944 PolarHBondContact O-N 2.9Å; C942-T947 HydrophobicContact CB-CG2 4.02Å; C942-R948 HydrophobicContact CB-CG 4.28Å; C942-R948 WeakPolarHBondContact O-CD 3.29Å; C942-R948 WeakPolarHBondContact O-CG 3.25Å; C942-R948 PolarHBondContact O-NH1 3.11Å
943A83.7Confident89.1Confident76 Ų7639.9 Ų39.963%0.62822%0.219SC*.SBendtrans-67.8-24.3179.200000113.2E941 R948E941-A943 PolarHBondContact O-N 3.24Å; A943-R948 PolarHBondContact O-NH1 3.34Å
944E86.1Confident89.1Confident107 Ų10739.4 Ų39.450%0.522%0.217SC..  trans-81.4119.5179.6-170.6-177.9-163.800111.5C942 G946 T947 R948C942-E944 PolarHBondContact O-N 2.9Å; E944-G946 VanDerWaalsContact C-N 3.3Å; E944-G946 PolarHBondContact O-N 3.21Å; E944-T947 PolarHBondContact O-N 2.91Å; E944-T947 PolarHBondContact OE2-OG1 3.03Å; E944-R948 PolarHBondContact O-N 3.21Å; E944-R948 VanDerWaalsContact O-N 3.13Å
945E85.2Confident89.3Confident88 Ų8837 Ų3741%0.41120%0.198SC..Hα-helixtrans-60.6-38.1-179.9-172.2177.2178.900112.6T947 R948 N949 R1024E945-T947 VanDerWaalsContact C-N 3.34Å; E945-T947 PolarHBondContact O-N 3.15Å; E945-R948 PolarHBondContact O-N 2.9Å; E945-N949 PolarHBondContact O-N 2.98Å; E945-R1024 IonicContact OE1-NH2 3.91Å; E945-R1024 PolarHBondContact OE1-NH2 3.44Å
946G86.3Confident89.4Confident27 Ų2736.5 Ų36.528%0.27820%0.195SC..Hα-helixtrans-58.2-44.7177.400000112.6E944 V950E944-G946 VanDerWaalsContact C-N 3.3Å; E944-G946 PolarHBondContact O-N 3.21Å; G946-V950 WeakPolarHBondContact O-CG2 3.36Å; G946-V950 PolarHBondContact O-N 3.16Å
947T88.3Confident89.4Confident2 Ų239.3 Ų39.31%0.01221%0.207CC..Hα-helixtrans-66.4-44.5176.5-63.60000110.9L910 C942 E944 E945 N949 V950 V951L910-T947 HydrophobicContact CD1-CG2 3.66Å; C942-T947 HydrophobicContact CB-CG2 4.02Å; E944-T947 PolarHBondContact O-N 2.91Å; E944-T947 PolarHBondContact OE2-OG1 3.03Å; E945-T947 VanDerWaalsContact C-N 3.34Å; E945-T947 PolarHBondContact O-N 3.15Å; T947-N949 VanDerWaalsContact C-N 3.35Å; T947-N949 PolarHBondContact O-N 3.21Å; T947-V950 PolarHBondContact O-N 2.83Å; T947-V951 HydrophobicContact CG2-CG2 4.48Å; T947-V951 VanDerWaalsContact O-CG2 3.3Å; T947-V951 WeakPolarHBondContact O-CG2 3.47Å; T947-V951 PolarHBondContact O-N 3.25Å
948R91.3Very high89.6Confident13 Ų1338 Ų385%0.04920%0.2CC..Hα-helixtrans-60.2-41.2177.7-69.7-165.6-56.6-88.90.2113C942 A943 E944 E945 V951 A952 Y980C942-R948 HydrophobicContact CB-CG 4.28Å; C942-R948 WeakPolarHBondContact O-CD 3.29Å; C942-R948 WeakPolarHBondContact O-CG 3.25Å; C942-R948 PolarHBondContact O-NH1 3.11Å; A943-R948 PolarHBondContact O-NH1 3.34Å; E944-R948 PolarHBondContact O-N 3.21Å; E944-R948 VanDerWaalsContact O-N 3.13Å; E945-R948 PolarHBondContact O-N 2.9Å; R948-V951 PolarHBondContact O-N 2.78Å; R948-A952 WeakPolarHBondContact O-CB 3.47Å; R948-A952 PolarHBondContact O-N 3.48Å; R948-Y980 VanDerWaalsContact CZ-CD1 3.42Å
949N90.9Very high89.9Confident67 Ų6730.6 Ų30.636%0.35817%0.168SC..Hα-helixtrans-64.8-41.8179.9-74.4-16.8000112E945 T947 A952 E953E945-N949 PolarHBondContact O-N 2.98Å; T947-N949 VanDerWaalsContact C-N 3.35Å; T947-N949 PolarHBondContact O-N 3.21Å; N949-A952 PolarHBondContact O-N 3.15Å; N949-E953 PolarHBondContact O-N 2.92Å
950V91.6Very high90Very high7 Ų732.4 Ų32.44%0.04218%0.178CC..Hα-helixtrans-64.5-42.8175.1176.80000110.7Y907 L910 H911 K914 G946 T947 E953 C954Y907-V950 HydrophobicContact CE2-CG2 4.41Å; L910-V950 HydrophobicContact CB-CG1 3.99Å; H911-V950 VanDerWaalsContact CE1-CG2 3.43Å; H911-V950 WeakPolarHBondContact CE1-CG2 3.39Å; H911-V950 WeakPolarHBondContact NE2-CG2 3.44Å; K914-V950 HydrophobicContact CB-CG1 4.29Å; K914-V950 HydrophobicContact CD-CG1 4.31Å; G946-V950 WeakPolarHBondContact O-CG2 3.36Å; G946-V950 PolarHBondContact O-N 3.16Å; T947-V950 PolarHBondContact O-N 2.83Å; V950-E953 PolarHBondContact O-N 2.89Å; V950-C954 PolarHBondContact O-N 3Å; V950-C954 PolarHBondContact O-SG 3.38Å
951V93.6Very high90.1Very high0 Ų033.6 Ų33.60%018%0.184CC..Hα-helixtrans-62.1-44.3176.5170.20000111.2L910 L936 H939 C940 T947 R948 C954 L955L910-V951 HydrophobicContact CD1-CG2 4.14Å; L910-V951 HydrophobicContact CD2-CG2 4.37Å; L936-V951 HydrophobicContact CB-CG1 4.17Å; L936-V951 HydrophobicContact CD2-CG1 4.28Å; L936-V951 HydrophobicContact CD2-CG2 4.34Å; L936-V951 VanDerWaalsContact O-CG1 3.3Å; L936-V951 WeakPolarHBondContact O-CG1 3.47Å; H939-V951 HydrophobicContact CB-CG2 3.79Å; C940-V951 HydrophobicContact CB-CG1 4.2Å; T947-V951 HydrophobicContact CG2-CG2 4.48Å; T947-V951 VanDerWaalsContact O-CG2 3.3Å; T947-V951 WeakPolarHBondContact O-CG2 3.47Å; T947-V951 PolarHBondContact O-N 3.25Å; R948-V951 PolarHBondContact O-N 2.78Å; V951-C954 PolarHBondContact O-N 2.87Å; V951-L955 HydrophobicContact CG1-CD1 3.96Å; V951-L955 HydrophobicContact CG1-CG 4.36Å; V951-L955 WeakPolarHBondContact O-CB 3.3Å; V951-L955 WeakPolarHBondContact O-CG 3.38Å; V951-L955 PolarHBondContact O-N 2.77Å
952A93.1Very high90.1Very high0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-62.2-42.9176.900000112.1R948 N949 L955 G956 S984 T987 A988R948-A952 WeakPolarHBondContact O-CB 3.47Å; R948-A952 PolarHBondContact O-N 3.48Å; N949-A952 PolarHBondContact O-N 3.15Å; A952-L955 PolarHBondContact O-N 3.1Å; A952-G956 PolarHBondContact O-N 3.33Å; A952-S984 VanDerWaalsContact CB-O 3.25Å; A952-S984 WeakPolarHBondContact CB-O 3.28Å; A952-T987 HydrophobicContact CB-CG2 3.67Å; A952-A988 HydrophobicContact CB-CB 4.47Å; A952-A988 WeakPolarHBondContact O-CA 3.43Å; A952-A988 WeakPolarHBondContact O-CB 3.42Å
953E93.4Very high90.2Very high34 Ų3430.3 Ų30.316%0.15917%0.168CC..Hα-helixtrans-60.3-45.8174.7-171.2-178.9155.700111.7K914 N949 V950 G956 K957 F991K914-E953 HydrophobicContact CD-CG 4.47Å; K914-E953 IonicContact NZ-OE2 2.64Å; N949-E953 PolarHBondContact O-N 2.92Å; V950-E953 PolarHBondContact O-N 2.89Å; E953-G956 PolarHBondContact O-N 3.28Å; E953-K957 HydrophobicContact CG-CD 4.24Å; E953-K957 WeakPolarHBondContact O-CG 3.33Å; E953-K957 PolarHBondContact O-N 3.48Å; E953-K957 IonicContact OE1-NZ 2.85Å; E953-K957 PolarHBondContact OE1-NZ 2.89Å; E953-F991 HydrophobicContact CB-CD1 4.4Å; E953-F991 HydrophobicContact CB-CD2 3.92Å; E953-F991 HydrophobicContact CB-CE1 4.17Å; E953-F991 HydrophobicContact CB-CE2 3.64Å; E953-F991 HydrophobicContact CB-CG 4.27Å; E953-F991 HydrophobicContact CB-CZ 3.78Å; E953-F991 HydrophobicContact CG-CD1 3.86Å; E953-F991 HydrophobicContact CG-CD2 4.26Å; E953-F991 HydrophobicContact CG-CE1 3.76Å; E953-F991 HydrophobicContact CG-CE2 4.14Å; E953-F991 HydrophobicContact CG-CG 4.1Å; E953-F991 HydrophobicContact CG-CZ 3.89Å
954C93.8Very high90.5Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-61.2-45175.2-69.30000112.1K914 I917 L936 V950 V951 L958K914-C954 VanDerWaalsContact CA-SG 3.52Å; K914-C954 VanDerWaalsContact CB-SG 3.57Å; I917-C954 HydrophobicContact CD1-CB 3.67Å; L936-C954 HydrophobicContact CD1-CB 3.59Å; L936-C954 HydrophobicContact CD2-CB 3.7Å; L936-C954 HydrophobicContact CG-CB 4.32Å; V950-C954 PolarHBondContact O-N 3Å; V950-C954 PolarHBondContact O-SG 3.38Å; V951-C954 PolarHBondContact O-N 2.87Å; C954-L958 WeakPolarHBondContact O-CB 3.5Å; C954-L958 PolarHBondContact O-N 3.38Å
955L94.5Very high90.7Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-62.4-43.2178-75171.3000111.7W933 L936 V951 A952 T959 A988W933-L955 HydrophobicContact CD2-CD2 4.17Å; W933-L955 HydrophobicContact CE3-CD2 3.79Å; W933-L955 HydrophobicContact CH2-CD2 4.08Å; W933-L955 HydrophobicContact CZ2-CD2 4.43Å; W933-L955 HydrophobicContact CZ3-CD2 3.74Å; L936-L955 HydrophobicContact CB-CD2 3.77Å; L936-L955 HydrophobicContact CB-CG 4.09Å; L936-L955 HydrophobicContact CD1-CD2 3.94Å; L936-L955 HydrophobicContact CD1-CG 4.14Å; V951-L955 HydrophobicContact CG1-CD1 3.96Å; V951-L955 HydrophobicContact CG1-CG 4.36Å; V951-L955 WeakPolarHBondContact O-CB 3.3Å; V951-L955 WeakPolarHBondContact O-CG 3.38Å; V951-L955 PolarHBondContact O-N 2.77Å; A952-L955 PolarHBondContact O-N 3.1Å; L955-T959 WeakPolarHBondContact O-CB 3.5Å; L955-T959 PolarHBondContact O-N 3.18Å; L955-T959 PolarHBondContact O-OG1 3.24Å; L955-A988 HydrophobicContact CB-CB 3.85Å
956G92.6Very high91.1Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-62.6-51.7177.200000112.1A952 E953 L958 T959 L960 A988 T992A952-G956 PolarHBondContact O-N 3.33Å; E953-G956 PolarHBondContact O-N 3.28Å; G956-L958 VanDerWaalsContact C-N 3.33Å; G956-L958 PolarHBondContact O-N 2.88Å; G956-T959 WeakPolarHBondContact O-CB 3.36Å; G956-T959 PolarHBondContact O-N 3.17Å; G956-T959 VanDerWaalsContact O-N 3.11Å; G956-L960 PolarHBondContact O-N 3.44Å; G956-A988 WeakPolarHBondContact CA-O 3.45Å; G956-T992 WeakPolarHBondContact O-CG2 3.31Å
957K91Very high91.3Very high60 Ų6026.1 Ų26.126%0.26113%0.133SC..Hα-helixtrans-62.9-37.2177.9-71.7177.8171.3171.50112.9I917 S918 E953 T959 L960I917-K957 HydrophobicContact CG2-CB 3.64Å; S918-K957 WeakPolarHBondContact OG-CD 3.13Å; S918-K957 PolarHBondContact OG-NZ 3.4Å; E953-K957 HydrophobicContact CG-CD 4.24Å; E953-K957 WeakPolarHBondContact O-CG 3.33Å; E953-K957 PolarHBondContact O-N 3.48Å; E953-K957 IonicContact OE1-NZ 2.85Å; E953-K957 PolarHBondContact OE1-NZ 2.89Å; K957-T959 VanDerWaalsContact C-N 3.3Å; K957-T959 PolarHBondContact O-N 2.61Å; K957-L960 WeakPolarHBondContact O-CB 3.38Å; K957-L960 PolarHBondContact O-N 3.49Å
958L92.1Very high91.5Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-66.2-34.9175.5-168.962.1000111.5L925 V929 I932 W933 L936 C954 G956 L960 I961 L966L925-L958 HydrophobicContact CD2-CD1 4.05Å; V929-L958 HydrophobicContact CB-CD1 4.44Å; V929-L958 HydrophobicContact CG1-CD1 4.27Å; V929-L958 HydrophobicContact CG1-CD2 4.49Å; V929-L958 HydrophobicContact CG1-CG 4.31Å; V929-L958 HydrophobicContact CG2-CD1 3.96Å; I932-L958 HydrophobicContact CB-CD2 4.1Å; I932-L958 HydrophobicContact CG2-CD2 3.73Å; W933-L958 HydrophobicContact CB-CD2 4.29Å; W933-L958 HydrophobicContact CE3-CD2 3.87Å; W933-L958 HydrophobicContact CE3-CG 4.46Å; L936-L958 HydrophobicContact CD1-CD2 4.28Å; C954-L958 WeakPolarHBondContact O-CB 3.5Å; C954-L958 PolarHBondContact O-N 3.38Å; G956-L958 VanDerWaalsContact C-N 3.33Å; G956-L958 PolarHBondContact O-N 2.88Å; L958-L960 PolarHBondContact O-N 3.38Å; L958-I961 HydrophobicContact CD1-CD1 4.11Å; L958-I961 WeakPolarHBondContact O-CB 3.35Å; L958-I961 PolarHBondContact O-N 3.44Å; L958-L966 HydrophobicContact CG-CD1 4.08Å; L958-L966 VanDerWaalsContact O-CD1 3.31Å; L958-L966 WeakPolarHBondContact O-CD1 3.47Å
959T92.4Very high91.6Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-63.3-29.6176-56.20000112.1L955 G956 K957 I961 D962 P963 L966 L967 L970 T992 I1000L955-T959 WeakPolarHBondContact O-CB 3.5Å; L955-T959 PolarHBondContact O-N 3.18Å; L955-T959 PolarHBondContact O-OG1 3.24Å; G956-T959 WeakPolarHBondContact O-CB 3.36Å; G956-T959 PolarHBondContact O-N 3.17Å; G956-T959 VanDerWaalsContact O-N 3.11Å; K957-T959 VanDerWaalsContact C-N 3.3Å; K957-T959 PolarHBondContact O-N 2.61Å; T959-I961 PolarHBondContact O-N 3.46Å; T959-D962 CarbonylContact O-C 3.33Å; T959-D962 PolarHBondContact O-N 2.99Å; T959-P963 VanDerWaalsContact O-CA 3.28Å; T959-P963 WeakPolarHBondContact O-CA 3.32Å; T959-P963 WeakPolarHBondContact O-CD 3.37Å; T959-P963 WeakPolarHBondContact O-CG 3.4Å; T959-P963 VanDerWaalsContact O-N 3.14Å; T959-L966 HydrophobicContact CG2-CB 4.05Å; T959-L967 HydrophobicContact CG2-CB 4.03Å; T959-L970 HydrophobicContact CG2-CD1 4.21Å; T959-L970 WeakPolarHBondContact OG1-CD1 3.44Å; T959-T992 HydrophobicContact CG2-CG2 4.3Å; T959-I1000 HydrophobicContact CG2-CD1 3.76Å
960L89.8Confident91.6Very high66 Ų6630.3 Ų30.335%0.34615%0.153SC..THydrogen-bonded Turntrans-66.2-19.5174.1-62.7174.3000113.5G956 K957 L958 T992 I1000G956-L960 PolarHBondContact O-N 3.44Å; K957-L960 WeakPolarHBondContact O-CB 3.38Å; K957-L960 PolarHBondContact O-N 3.49Å; L958-L960 PolarHBondContact O-N 3.38Å; L960-T992 HydrophobicContact CD2-CG2 4.49Å; L960-I1000 HydrophobicContact CD2-CD1 4.38Å; L960-I1000 HydrophobicContact CD2-CG2 3.79Å
961I88.1Confident91.7Very high26 Ų2634 Ų3413%0.13317%0.169CC..THydrogen-bonded Turntrans-81.5-37.5-179.8-60.6-176000111.7V922 L925 V929 L958 T959V922-I961 HydrophobicContact CG1-CG2 3.96Å; L925-I961 HydrophobicContact CB-CD1 4.02Å; L925-I961 HydrophobicContact CD2-CD1 3.34Å; L925-I961 HydrophobicContact CG-CD1 4.2Å; V929-I961 HydrophobicContact CG2-CG2 4.22Å; L958-I961 HydrophobicContact CD1-CD1 4.11Å; L958-I961 WeakPolarHBondContact O-CB 3.35Å; L958-I961 PolarHBondContact O-N 3.44Å; T959-I961 PolarHBondContact O-N 3.46Å
962D87.7Confident91.5Very high43 Ų4336.3 Ų36.323%0.2319%0.193CC..SBendtrans-139.673.3177.2-169.112.3000111.6T959 E964 T965 L966T959-D962 CarbonylContact O-C 3.33Å; T959-D962 PolarHBondContact O-N 2.99Å; D962-E964 VanDerWaalsContact C-N 3.34Å; D962-E964 PolarHBondContact O-N 2.94Å; D962-T965 PolarHBondContact O-N 3.28Å; D962-T965 WeakPolarHBondContact OD2-CB 3.5Å; D962-T965 VanDerWaalsContact OD2-CG2 3.27Å; D962-T965 WeakPolarHBondContact OD2-CG2 3.4Å; D962-T965 PolarHBondContact OD2-OG1 3.42Å; D962-L966 HydrophobicContact CB-CD1 4.28Å; D962-L966 HydrophobicContact CB-CG 4.34Å; D962-L966 WeakPolarHBondContact O-CB 3.26Å; D962-L966 WeakPolarHBondContact O-CG 3.31Å; D962-L966 PolarHBondContact O-N 2.92Å; D962-L966 VanDerWaalsContact O-N 3.11Å
963P89.6Confident91.4Very high20 Ų2040.4 Ų40.413%0.1321%0.209CC..Hα-helixtrans-59-40.7-173.4-28.137000114.1T959 T965 L967 I1000 L1003T959-P963 VanDerWaalsContact O-CA 3.28Å; T959-P963 WeakPolarHBondContact O-CA 3.32Å; T959-P963 WeakPolarHBondContact O-CD 3.37Å; T959-P963 WeakPolarHBondContact O-CG 3.4Å; T959-P963 VanDerWaalsContact O-N 3.14Å; P963-T965 VanDerWaalsContact C-N 3.3Å; P963-T965 PolarHBondContact O-N 3.02Å; P963-L967 WeakPolarHBondContact O-CB 3.47Å; P963-L967 PolarHBondContact O-N 3.31Å; P963-L967 VanDerWaalsContact O-N 3.15Å; P963-I1000 HydrophobicContact CB-CB 3.97Å; P963-I1000 HydrophobicContact CB-CD1 3.96Å; P963-I1000 HydrophobicContact CB-CG1 3.84Å; P963-I1000 HydrophobicContact CG-CB 4.02Å; P963-I1000 HydrophobicContact CG-CD1 4.35Å; P963-I1000 HydrophobicContact CG-CG1 4.36Å; P963-L1003 HydrophobicContact CB-CD1 3.87Å
964E89.6Confident91.3Very high153 Ų15339.9 Ų39.972%0.71521%0.207SC*.Hα-helixtrans-63.8-34-174.4-67.9-177.2-179.100112.6D962 P968 L1003D962-E964 VanDerWaalsContact C-N 3.34Å; D962-E964 PolarHBondContact O-N 2.94Å; E964-P968 WeakPolarHBondContact O-CD 3.05Å; E964-P968 WeakPolarHBondContact O-CG 3.46Å; E964-L1003 HydrophobicContact CG-CD1 4.03Å
965T90.5Very high91.1Very high52 Ų5247.2 Ų47.232%0.31925%0.245SC..Hα-helixtrans-95.4-36.6-177.672.80000112.9D962 P963 R969D962-T965 PolarHBondContact O-N 3.28Å; D962-T965 WeakPolarHBondContact OD2-CB 3.5Å; D962-T965 VanDerWaalsContact OD2-CG2 3.27Å; D962-T965 WeakPolarHBondContact OD2-CG2 3.4Å; D962-T965 PolarHBondContact OD2-OG1 3.42Å; P963-T965 VanDerWaalsContact C-N 3.3Å; P963-T965 PolarHBondContact O-N 3.02Å; T965-R969 WeakPolarHBondContact O-CG 3.36Å
966L92.4Very high90.8Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-88.6-33.5-170.5-62.9-177.4000113.2V929 W933 L958 T959 D962 R969 L970V929-L966 HydrophobicContact CG1-CD1 3.85Å; V929-L966 HydrophobicContact CG1-CD2 4.28Å; W933-L966 HydrophobicContact CD2-CD2 3.84Å; W933-L966 HydrophobicContact CE3-CD1 4Å; W933-L966 HydrophobicContact CE3-CD2 3.63Å; W933-L966 HydrophobicContact CE3-CG 4.25Å; W933-L966 HydrophobicContact CG-CD2 4.45Å; W933-L966 HydrophobicContact CH2-CB 4.06Å; W933-L966 HydrophobicContact CH2-CD2 4.25Å; W933-L966 HydrophobicContact CZ2-CD2 4.44Å; W933-L966 HydrophobicContact CZ3-CB 3.89Å; W933-L966 HydrophobicContact CZ3-CD1 3.96Å; W933-L966 HydrophobicContact CZ3-CD2 3.85Å; W933-L966 HydrophobicContact CZ3-CG 4.11Å; L958-L966 HydrophobicContact CG-CD1 4.08Å; L958-L966 VanDerWaalsContact O-CD1 3.31Å; L958-L966 WeakPolarHBondContact O-CD1 3.47Å; T959-L966 HydrophobicContact CG2-CB 4.05Å; D962-L966 HydrophobicContact CB-CD1 4.28Å; D962-L966 HydrophobicContact CB-CG 4.34Å; D962-L966 WeakPolarHBondContact O-CB 3.26Å; D962-L966 WeakPolarHBondContact O-CG 3.31Å; D962-L966 PolarHBondContact O-N 2.92Å; D962-L966 VanDerWaalsContact O-N 3.11Å; L966-R969 WeakPolarHBondContact O-CB 3.46Å; L966-R969 PolarHBondContact O-N 3.24Å; L966-R969 VanDerWaalsContact O-N 3.16Å; L966-L970 PolarHBondContact O-N 3.39Å
967L92.2Very high90.6Very high6 Ų652.4 Ų52.43%0.03129%0.294CS..Hα-helixtrans-64.4-43.7178.7-177.964.1000112.5T959 P963 R969 L970 K971 I1000 L1003 L1004 F1011T959-L967 HydrophobicContact CG2-CB 4.03Å; P963-L967 WeakPolarHBondContact O-CB 3.47Å; P963-L967 PolarHBondContact O-N 3.31Å; P963-L967 VanDerWaalsContact O-N 3.15Å; L967-R969 PolarHBondContact O-N 2.87Å; L967-L970 WeakPolarHBondContact O-CB 3.08Å; L967-L970 PolarHBondContact O-N 2.72Å; L967-K971 PolarHBondContact O-N 3.41Å; L967-I1000 HydrophobicContact CD2-CD1 4.42Å; L967-I1000 HydrophobicContact CD2-CG1 4.23Å; L967-L1003 HydrophobicContact CD2-CB 3.77Å; L967-L1004 HydrophobicContact CD1-CD2 3.83Å; L967-L1004 HydrophobicContact CD2-CD2 4.08Å; L967-L1004 HydrophobicContact CD2-CG 4.11Å; L967-F1011 HydrophobicContact CD1-CE2 4.36Å; L967-F1011 HydrophobicContact CD1-CZ 4.35Å
968P92.4Very high90.6Very high79 Ų7950.8 Ų50.851%0.51329%0.29SS..Hα-helixtrans-60.7-33.5172.4-2535.8000113.2E964 K971 G972E964-P968 WeakPolarHBondContact O-CD 3.05Å; E964-P968 WeakPolarHBondContact O-CG 3.46Å; P968-K971 PolarHBondContact O-N 2.93Å; P968-G972 PolarHBondContact O-N 3.23Å; P968-G972 VanDerWaalsContact O-N 3.08Å
969R92.2Very high90.6Very high91 Ų9152.2 Ų52.234%0.34330%0.3SS..Hα-helixtrans-66.8-44.7175.5-67.5176.8-171.1-168.78.2111.1E930 W933 T965 L966 L967 K971 G972 Y973E930-R969 VanDerWaalsContact CD-NH1 3.3Å; E930-R969 IonicContact OE1-CZ 2.8Å; E930-R969 VanDerWaalsContact OE1-CZ 3.29Å; E930-R969 IonicContact OE1-NH1 2.97Å; E930-R969 PolarHBondContact OE1-NH1 2.87Å; E930-R969 IonicContact OE1-NH2 3.33Å; E930-R969 PolarHBondContact OE1-NH2 3.06Å; E930-R969 IonicContact OE2-CZ 3.54Å; E930-R969 IonicContact OE2-NH1 3.6Å; E930-R969 PolarHBondContact OE2-NH1 3.35Å; E930-R969 IonicContact OE2-NH2 2.81Å; W933-R969 HydrophobicContact CZ2-CB 3.79Å; T965-R969 WeakPolarHBondContact O-CG 3.36Å; L966-R969 WeakPolarHBondContact O-CB 3.46Å; L966-R969 PolarHBondContact O-N 3.24Å; L966-R969 VanDerWaalsContact O-N 3.16Å; L967-R969 PolarHBondContact O-N 2.87Å; R969-K971 VanDerWaalsContact C-N 3.33Å; R969-K971 PolarHBondContact O-N 3.42Å; R969-G972 PolarHBondContact O-N 3.45Å; R969-Y973 WeakPolarHBondContact O-CD2 3.45Å
970L92.2Very high90.6Very high0 Ų056.9 Ų56.90%032%0.318CS..Hα-helixtrans-55-50172.8-72.9-177.8000111W933 T959 L966 L967 G972 Y973 V985 A988 V989 F1011W933-L970 HydrophobicContact CH2-CD2 3.59Å; W933-L970 HydrophobicContact CH2-CG 3.8Å; W933-L970 HydrophobicContact CZ2-CD2 4.17Å; T959-L970 HydrophobicContact CG2-CD1 4.21Å; T959-L970 WeakPolarHBondContact OG1-CD1 3.44Å; L966-L970 PolarHBondContact O-N 3.39Å; L967-L970 WeakPolarHBondContact O-CB 3.08Å; L967-L970 PolarHBondContact O-N 2.72Å; L970-G972 PolarHBondContact O-N 3.22Å; L970-Y973 PolarHBondContact O-N 3.2Å; L970-V985 HydrophobicContact CB-CG1 4.17Å; L970-V985 HydrophobicContact CD2-CG1 4.43Å; L970-V985 HydrophobicContact CD2-CG2 4.43Å; L970-V985 WeakPolarHBondContact O-CG1 3.22Å; L970-A988 HydrophobicContact CD1-CB 4.3Å; L970-A988 HydrophobicContact CD2-CB 4.3Å; L970-V989 HydrophobicContact CD1-CG2 4.28Å; L970-F1011 HydrophobicContact CB-CE1 4.44Å; L970-F1011 HydrophobicContact CB-CZ 4.23Å
971K91.8Very high90.7Very high84 Ų8453.7 Ų53.737%0.36530%0.302SS..Hα-helixtrans-55-39.7178.6178.1174.3169.1167.30112.3L967 P968 R969 Y973 L974 C1007 D1010 F1011L967-K971 PolarHBondContact O-N 3.41Å; P968-K971 PolarHBondContact O-N 2.93Å; R969-K971 VanDerWaalsContact C-N 3.33Å; R969-K971 PolarHBondContact O-N 3.42Å; K971-Y973 PolarHBondContact O-N 2.93Å; K971-L974 HydrophobicContact CG-CD1 4.39Å; K971-L974 WeakPolarHBondContact O-CB 3.39Å; K971-L974 WeakPolarHBondContact O-CG 3.5Å; K971-L974 PolarHBondContact O-N 2.77Å; K971-C1007 HydrophobicContact CD-CB 4.14Å; K971-D1010 WeakPolarHBondContact CE-OD2 3.48Å; K971-D1010 IonicContact NZ-OD2 3.81Å; K971-D1010 PolarHBondContact NZ-OD2 3.48Å; K971-F1011 HydrophobicContact CB-CE2 4.47Å; K971-F1011 HydrophobicContact CB-CZ 4.1Å
972G91.2Very high91Very high49 Ų4953.8 Ų53.851%0.50530%0.3SS..Hα-helixtrans-59.7-29.5177.100000114.6P968 R969 L970 L974P968-G972 PolarHBondContact O-N 3.23Å; P968-G972 VanDerWaalsContact O-N 3.08Å; R969-G972 PolarHBondContact O-N 3.45Å; L970-G972 PolarHBondContact O-N 3.22Å; G972-L974 VanDerWaalsContact C-N 3.32Å; G972-L974 PolarHBondContact O-N 3.21Å
973Y91.1Very high91.2Very high85 Ų8552 Ų5233%0.33329%0.291SS..G310 helixtrans-80.5-7.5179.4-83.3-88.8000114.4L937 R969 L970 K971 I975 S976 V985L937-Y973 HydrophobicContact CD1-CE2 3.86Å; L937-Y973 WeakPolarHBondContact CD1-OH 3.4Å; L937-Y973 HydrophobicContact CD2-CD2 4.25Å; L937-Y973 HydrophobicContact CD2-CE1 4.16Å; L937-Y973 HydrophobicContact CD2-CE2 3.79Å; L937-Y973 HydrophobicContact CG-CE2 4.5Å; R969-Y973 WeakPolarHBondContact O-CD2 3.45Å; L970-Y973 PolarHBondContact O-N 3.2Å; K971-Y973 PolarHBondContact O-N 2.93Å; Y973-I975 PolarHBondContact O-N 3.32Å; Y973-S976 VanDerWaalsContact O-CB 3.27Å; Y973-S976 WeakPolarHBondContact O-CB 3.43Å; Y973-S976 PolarHBondContact O-N 3.29Å; Y973-V985 HydrophobicContact CG-CG2 4.45Å
974L90.1Very high91.4Very high24 Ų2451.2 Ų51.213%0.12629%0.286CS..G310 helixtrans-61.8-21.5173.1-67.2174.3000112.7K971 G972 R982 V985 V986 D1010 F1011 T1014K971-L974 HydrophobicContact CG-CD1 4.39Å; K971-L974 WeakPolarHBondContact O-CB 3.39Å; K971-L974 WeakPolarHBondContact O-CG 3.5Å; K971-L974 PolarHBondContact O-N 2.77Å; G972-L974 VanDerWaalsContact C-N 3.32Å; G972-L974 PolarHBondContact O-N 3.21Å; L974-R982 WeakPolarHBondContact O-CD 3.38Å; L974-V985 HydrophobicContact CD2-CG1 4.03Å; L974-V985 HydrophobicContact CG-CG1 4.4Å; L974-V986 HydrophobicContact CD2-CG2 3.84Å; L974-D1010 HydrophobicContact CD1-CB 4.33Å; L974-F1011 HydrophobicContact CD1-CD1 3.8Å; L974-F1011 HydrophobicContact CD1-CE1 3.89Å; L974-F1011 HydrophobicContact CD1-CG 4.13Å; L974-F1011 HydrophobicContact CD1-CZ 4.34Å; L974-F1011 HydrophobicContact CD2-CD1 3.75Å; L974-F1011 HydrophobicContact CD2-CE1 4.04Å; L974-F1011 HydrophobicContact CG-CD1 4.16Å; L974-F1011 HydrophobicContact CG-CE1 4.09Å; L974-T1014 HydrophobicContact CD2-CG2 3.98Å
975I90Very high91.6Very high154 Ų15443.9 Ų43.979%0.7925%0.252SS*.G310 helixtrans-94.75.4179.8-42.9174.4000111.1Y973 G977Y973-I975 PolarHBondContact O-N 3.32Å; I975-G977 PolarHBondContact O-N 3.45Å
976S87.7Confident91.7Very high27 Ų2741.5 Ų41.519%0.18924%0.237CC..  trans-61.1139.9177.9-179.50000111.4Y973 S978 R982Y973-S976 VanDerWaalsContact O-CB 3.27Å; Y973-S976 WeakPolarHBondContact O-CB 3.43Å; Y973-S976 PolarHBondContact O-N 3.29Å; S976-S978 PolarHBondContact O-N 3Å; S976-S978 PolarHBondContact OG-N 3.3Å; S976-R982 WeakPolarHBondContact O-CD 3.01Å; S976-R982 PolarHBondContact O-NH1 3.33Å
977G88.4Confident91.8Very high81 Ų8142.1 Ų42.184%0.83524%0.241SC*.SBendtrans-64.2-22.8174.500000113.4I975 R982I975-G977 PolarHBondContact O-N 3.45Å; G977-R982 PolarHBondContact O-NH1 2.91Å
978S91.4Very high91.9Very high27 Ų2741.9 Ų41.919%0.18924%0.239CC..  trans-82.4120.2179.5179.90000111.7E941 S976 Y980 A981 R982E941-S978 WeakPolarHBondContact OE1-CB 3.48Å; S976-S978 PolarHBondContact O-N 3Å; S976-S978 PolarHBondContact OG-N 3.3Å; S978-Y980 PolarHBondContact O-N 3.4Å; S978-A981 PolarHBondContact O-N 3.28Å; S978-A981 PolarHBondContact OG-N 2.9Å; S978-R982 PolarHBondContact O-N 2.9Å
979S92.6Very high91.9Very high29 Ų2938.1 Ų38.120%0.20322%0.215CC..Hα-helixtrans-62.6-30.9174.558.10000112.2R982 S983 D1019 V1022S979-R982 PolarHBondContact O-N 3.5Å; S979-S983 VanDerWaalsContact O-CB 3.3Å; S979-S983 WeakPolarHBondContact O-CB 3.15Å; S979-S983 PolarHBondContact O-N 3.22Å; S979-D1019 WeakPolarHBondContact CB-OD2 3.47Å; S979-D1019 PolarHBondContact OG-OD2 3.29Å; S979-V1022 WeakPolarHBondContact O-CG2 3.36Å
980Y92.3Very high92Very high98 Ų9837 Ų3738%0.38421%0.213SC..Hα-helixtrans-64.8-40.8174.3-63.2-47.4000113.1R948 S978 S984R948-Y980 VanDerWaalsContact CZ-CD1 3.42Å; S978-Y980 PolarHBondContact O-N 3.4Å; Y980-S984 WeakPolarHBondContact O-CB 3.26Å; Y980-S984 PolarHBondContact O-N 3.03Å; Y980-S984 PolarHBondContact O-OG 3.18Å
981A91.6Very high91.9Very high0 Ų040.4 Ų40.40%023%0.228CC..Hα-helixtrans-63.8-48.8175.500000110.8E941 S978 S983 S984 V985E941-A981 HydrophobicContact CG-CB 3.85Å; S978-A981 PolarHBondContact O-N 3.28Å; S978-A981 PolarHBondContact OG-N 2.9Å; A981-S983 PolarHBondContact O-N 3.34Å; A981-S984 PolarHBondContact O-N 3.11Å; A981-V985 WeakPolarHBondContact O-CG2 3.35Å; A981-V985 PolarHBondContact O-N 3.41Å
982R93.7Very high91.9Very high28 Ų2836.5 Ų36.511%0.10621%0.211CC..Hα-helixtrans-58.5-47178.5-62-165-55.9-82.83111.3L974 S976 G977 S978 S979 S984 V985 V986 D1017 V1022L974-R982 WeakPolarHBondContact O-CD 3.38Å; S976-R982 WeakPolarHBondContact O-CD 3.01Å; S976-R982 PolarHBondContact O-NH1 3.33Å; G977-R982 PolarHBondContact O-NH1 2.91Å; S978-R982 PolarHBondContact O-N 2.9Å; S979-R982 PolarHBondContact O-N 3.5Å; R982-S984 PolarHBondContact O-N 3.4Å; R982-V985 PolarHBondContact O-N 3.02Å; R982-V986 VanDerWaalsContact O-CG2 3.32Å; R982-V986 WeakPolarHBondContact O-CG2 3.42Å; R982-V986 PolarHBondContact O-N 3.44Å; R982-D1017 IonicContact CZ-OD1 3.95Å; R982-D1017 IonicContact CZ-OD2 3.63Å; R982-D1017 IonicContact NE-OD1 3.79Å; R982-D1017 IonicContact NE-OD2 3.98Å; R982-D1017 PolarHBondContact NE-OD2 3.28Å; R982-D1017 IonicContact NH2-OD1 3.92Å; R982-D1017 PolarHBondContact NH2-OD1 3.37Å; R982-D1017 IonicContact NH2-OD2 3.32Å; R982-D1017 PolarHBondContact NH2-OD2 2.88Å; R982-V1022 HydrophobicContact CB-CG1 4.42Å; R982-V1022 HydrophobicContact CB-CG2 4.28Å
983S93Very high91.9Very high6 Ų634.6 Ų34.64%0.04219%0.189CC..Hα-helixtrans-59.8-43.7176.3178.60000112.9S979 A981 V985 T987 N1021 V1025S979-S983 VanDerWaalsContact O-CB 3.3Å; S979-S983 WeakPolarHBondContact O-CB 3.15Å; S979-S983 PolarHBondContact O-N 3.22Å; A981-S983 PolarHBondContact O-N 3.34Å; S983-V985 VanDerWaalsContact C-N 3.34Å; S983-V985 PolarHBondContact O-N 3.29Å; S983-T987 WeakPolarHBondContact O-CB 3.42Å; S983-T987 PolarHBondContact O-N 3.24Å; S983-T987 PolarHBondContact O-OG1 2.9Å; S983-N1021 PolarHBondContact OG-ND2 3.24Å; S983-N1021 VanDerWaalsContact OG-ND2 3.07Å; S983-V1025 WeakPolarHBondContact OG-CG2 3.13Å
984S92.8Very high91.6Very high2 Ų232.1 Ų32.11%0.01418%0.184CC..Hα-helixtrans-65.5-37.5179.3-59.20000112.4C940 A952 Y980 A981 R982 T987 A988C940-S984 PolarHBondContact O-OG 3.06Å; A952-S984 VanDerWaalsContact CB-O 3.25Å; A952-S984 WeakPolarHBondContact CB-O 3.28Å; Y980-S984 WeakPolarHBondContact O-CB 3.26Å; Y980-S984 PolarHBondContact O-N 3.03Å; Y980-S984 PolarHBondContact O-OG 3.18Å; A981-S984 PolarHBondContact O-N 3.11Å; R982-S984 PolarHBondContact O-N 3.4Å; S984-T987 PolarHBondContact O-N 2.91Å; S984-A988 WeakPolarHBondContact O-CB 3.47Å; S984-A988 PolarHBondContact O-N 3.36Å
985V93.6Very high91.2Very high0 Ų035.7 Ų35.70%020%0.203CC..Hα-helixtrans-71.9-42.3-179.6165.20000112.1L970 Y973 L974 A981 R982 S983 T987 A988 V989 F1011L970-V985 HydrophobicContact CB-CG1 4.17Å; L970-V985 HydrophobicContact CD2-CG1 4.43Å; L970-V985 HydrophobicContact CD2-CG2 4.43Å; L970-V985 WeakPolarHBondContact O-CG1 3.22Å; Y973-V985 HydrophobicContact CG-CG2 4.45Å; L974-V985 HydrophobicContact CD2-CG1 4.03Å; L974-V985 HydrophobicContact CG-CG1 4.4Å; A981-V985 WeakPolarHBondContact O-CG2 3.35Å; A981-V985 PolarHBondContact O-N 3.41Å; R982-V985 PolarHBondContact O-N 3.02Å; S983-V985 VanDerWaalsContact C-N 3.34Å; S983-V985 PolarHBondContact O-N 3.29Å; V985-T987 VanDerWaalsContact C-N 3.29Å; V985-T987 PolarHBondContact O-N 3.2Å; V985-A988 WeakPolarHBondContact O-CB 3.34Å; V985-A988 PolarHBondContact O-N 2.93Å; V985-A988 VanDerWaalsContact O-N 3.15Å; V985-V989 PolarHBondContact O-N 2.94Å; V985-F1011 HydrophobicContact CG1-CE1 3.84Å
986V93.9Very high90.6Very high1 Ų134.1 Ų34.11%0.00619%0.192CC..Hα-helixtrans-63.2-40.9174-179.30000109.9L974 R982 A988 V989 K990 T1014 V1025 A1026 T1029L974-V986 HydrophobicContact CD2-CG2 3.84Å; R982-V986 VanDerWaalsContact O-CG2 3.32Å; R982-V986 WeakPolarHBondContact O-CG2 3.42Å; R982-V986 PolarHBondContact O-N 3.44Å; V986-A988 VanDerWaalsContact C-N 3.31Å; V986-A988 PolarHBondContact O-N 3.24Å; V986-V989 PolarHBondContact O-N 3.29Å; V986-K990 PolarHBondContact O-N 2.89Å; V986-T1014 HydrophobicContact CG2-CG2 3.96Å; V986-V1025 HydrophobicContact CB-CG1 3.88Å; V986-V1025 HydrophobicContact CG1-CG1 3.8Å; V986-A1026 HydrophobicContact CG1-CB 4.41Å; V986-T1029 HydrophobicContact CG1-CG2 4.4Å; V986-T1029 PolarHBondContact O-OG1 3.45Å
987T93Very high90.2Very high14 Ų1437.5 Ų37.59%0.08621%0.214CC..Hα-helixtrans-62.5-36.8173.3-53.50000112.1A952 S983 S984 V985 V989 K990 F991 V1025A952-T987 HydrophobicContact CB-CG2 3.67Å; S983-T987 WeakPolarHBondContact O-CB 3.42Å; S983-T987 PolarHBondContact O-N 3.24Å; S983-T987 PolarHBondContact O-OG1 2.9Å; S984-T987 PolarHBondContact O-N 2.91Å; V985-T987 VanDerWaalsContact C-N 3.29Å; V985-T987 PolarHBondContact O-N 3.2Å; T987-V989 VanDerWaalsContact C-N 3.33Å; T987-V989 PolarHBondContact O-N 3.46Å; T987-K990 VanDerWaalsContact O-CB 3.22Å; T987-K990 WeakPolarHBondContact O-CB 3.22Å; T987-K990 PolarHBondContact O-N 2.86Å; T987-F991 HydrophobicContact CG2-CD2 4.29Å; T987-F991 HydrophobicContact CG2-CE2 3.8Å; T987-F991 VanDerWaalsContact O-CD2 3.23Å; T987-F991 WeakPolarHBondContact O-CD2 3.45Å; T987-F991 PolarHBondContact O-N 3.09Å; T987-V1025 WeakPolarHBondContact OG1-CG1 3.43Å
988A94.3Very high89.9Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-62.9-40177.700000111.9A952 L955 G956 L970 S984 V985 V986 K990 F991A952-A988 HydrophobicContact CB-CB 4.47Å; A952-A988 WeakPolarHBondContact O-CA 3.43Å; A952-A988 WeakPolarHBondContact O-CB 3.42Å; L955-A988 HydrophobicContact CB-CB 3.85Å; G956-A988 WeakPolarHBondContact CA-O 3.45Å; L970-A988 HydrophobicContact CD1-CB 4.3Å; L970-A988 HydrophobicContact CD2-CB 4.3Å; S984-A988 WeakPolarHBondContact O-CB 3.47Å; S984-A988 PolarHBondContact O-N 3.36Å; V985-A988 WeakPolarHBondContact O-CB 3.34Å; V985-A988 PolarHBondContact O-N 2.93Å; V985-A988 VanDerWaalsContact O-N 3.15Å; V986-A988 VanDerWaalsContact C-N 3.31Å; V986-A988 PolarHBondContact O-N 3.24Å; A988-K990 VanDerWaalsContact C-N 3.3Å; A988-K990 PolarHBondContact O-N 3.46Å; A988-F991 PolarHBondContact O-N 3.04Å; A988-F991 VanDerWaalsContact O-N 3.11Å
989V94Very high89.6Confident0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-62.2-37.5174.9173.60000111.7L970 V985 V986 T987 F991 T992 I993 L1004 I1008 F1011 T1029L970-V989 HydrophobicContact CD1-CG2 4.28Å; V985-V989 PolarHBondContact O-N 2.94Å; V986-V989 PolarHBondContact O-N 3.29Å; T987-V989 VanDerWaalsContact C-N 3.33Å; T987-V989 PolarHBondContact O-N 3.46Å; V989-F991 PolarHBondContact O-N 2.99Å; V989-T992 WeakPolarHBondContact O-CB 3.3Å; V989-T992 PolarHBondContact O-N 3.26Å; V989-T992 PolarHBondContact O-OG1 3.22Å; V989-I993 HydrophobicContact CG1-CD1 4.44Å; V989-L1004 HydrophobicContact CG1-CD2 3.96Å; V989-I1008 HydrophobicContact CG1-CD1 3.84Å; V989-F1011 HydrophobicContact CB-CD1 4.28Å; V989-F1011 HydrophobicContact CB-CE1 4.45Å; V989-F1011 HydrophobicContact CG2-CD1 3.49Å; V989-F1011 VanDerWaalsContact CG2-CD1 3.49Å; V989-F1011 HydrophobicContact CG2-CD2 4.14Å; V989-F1011 HydrophobicContact CG2-CE1 3.24Å; V989-F1011 HydrophobicContact CG2-CE2 3.9Å; V989-F1011 HydrophobicContact CG2-CG 3.96Å; V989-F1011 HydrophobicContact CG2-CZ 3.46Å; V989-F1011 VanDerWaalsContact CG2-CZ 3.46Å; V989-T1029 HydrophobicContact CG1-CG2 4.45Å
990K93Very high89.4Confident69 Ų6939.8 Ų39.830%0.321%0.206SC..Hα-helixtrans-52-41.5173.1-173-165171.2-177.40112.1V986 T987 A988 T992 I993 V1028 T1029V986-K990 PolarHBondContact O-N 2.89Å; T987-K990 VanDerWaalsContact O-CB 3.22Å; T987-K990 WeakPolarHBondContact O-CB 3.22Å; T987-K990 PolarHBondContact O-N 2.86Å; A988-K990 VanDerWaalsContact C-N 3.3Å; A988-K990 PolarHBondContact O-N 3.46Å; K990-T992 PolarHBondContact O-N 3.19Å; K990-I993 PolarHBondContact O-N 3.2Å; K990-V1028 HydrophobicContact CD-CG1 4.08Å; K990-T1029 HydrophobicContact CB-CG2 4.11Å
991F91.2Very high89.2Confident71 Ų7135.9 Ų35.931%0.31119%0.192SC..THydrogen-bonded Turntrans-76.7-3.4179.4-68.5-70.9000114.6E953 T987 A988 V989E953-F991 HydrophobicContact CB-CD1 4.4Å; E953-F991 HydrophobicContact CB-CD2 3.92Å; E953-F991 HydrophobicContact CB-CE1 4.17Å; E953-F991 HydrophobicContact CB-CE2 3.64Å; E953-F991 HydrophobicContact CB-CG 4.27Å; E953-F991 HydrophobicContact CB-CZ 3.78Å; E953-F991 HydrophobicContact CG-CD1 3.86Å; E953-F991 HydrophobicContact CG-CD2 4.26Å; E953-F991 HydrophobicContact CG-CE1 3.76Å; E953-F991 HydrophobicContact CG-CE2 4.14Å; E953-F991 HydrophobicContact CG-CG 4.1Å; E953-F991 HydrophobicContact CG-CZ 3.89Å; T987-F991 HydrophobicContact CG2-CD2 4.29Å; T987-F991 HydrophobicContact CG2-CE2 3.8Å; T987-F991 VanDerWaalsContact O-CD2 3.23Å; T987-F991 WeakPolarHBondContact O-CD2 3.45Å; T987-F991 PolarHBondContact O-N 3.09Å; A988-F991 PolarHBondContact O-N 3.04Å; A988-F991 VanDerWaalsContact O-N 3.11Å; V989-F991 PolarHBondContact O-N 2.99Å
992T91.7Very high89Confident1 Ų139 Ų391%0.00621%0.212CC..THydrogen-bonded Turntrans-90.6-12.1169.966.70000113.1G956 T959 L960 V989 K990 I1000G956-T992 WeakPolarHBondContact O-CG2 3.31Å; T959-T992 HydrophobicContact CG2-CG2 4.3Å; L960-T992 HydrophobicContact CD2-CG2 4.49Å; V989-T992 WeakPolarHBondContact O-CB 3.3Å; V989-T992 PolarHBondContact O-N 3.26Å; V989-T992 PolarHBondContact O-OG1 3.22Å; K990-T992 PolarHBondContact O-N 3.19Å; T992-I1000 HydrophobicContact CG2-CD1 4.16Å
993I90.7Very high88.8Confident10 Ų1040.8 Ų40.85%0.05122%0.223CC..  trans-96.8102.7-174.4-56.9167.9000109.9V989 K990 T1029 A1033 N1036 K1037 L1040V989-I993 HydrophobicContact CG1-CD1 4.44Å; K990-I993 PolarHBondContact O-N 3.2Å; I993-T1029 HydrophobicContact CD1-CG2 4.48Å; I993-A1033 HydrophobicContact CD1-CB 3.94Å; I993-N1036 HydrophobicContact CG2-CB 3.94Å; I993-N1036 PolarHBondContact O-ND2 3.09Å; I993-K1037 HydrophobicContact CG2-CB 4.15Å; I993-L1040 HydrophobicContact CG1-CD1 4.4Å
994S85.3Confident88.7Confident32 Ų3240.5 Ų40.522%0.22422%0.221CC..  trans-107162.2170.362.40000112H996 Q998 K1037S994-H996 PolarHBondContact OG-O 3.01Å; S994-H996 VanDerWaalsContact OG-O 3.11Å; S994-Q998 VanDerWaalsContact OG-CG 3.24Å; S994-Q998 WeakPolarHBondContact OG-CG 3.35Å; S994-K1037 WeakPolarHBondContact O-CE 3.43Å; S994-K1037 PolarHBondContact O-NZ 2.76Å; S994-K1037 VanDerWaalsContact O-NZ 3.1Å
995D80.5Confident88.4Confident100 Ų10043.6 Ų43.654%0.53523%0.234SC..SBendtrans-66-36.2172.758.7-21.2000113.2N1036D995-N1036 WeakPolarHBondContact CA-O 3.3Å
996H78.6Confident88.1Confident120 Ų12050.2 Ų50.256%0.55627%0.27SS*.SBendtrans-75.9145.4176.8-56.5-34000112.2S994 Q998 K1037S994-H996 PolarHBondContact OG-O 3.01Å; S994-H996 VanDerWaalsContact OG-O 3.11Å; H996-Q998 PolarHBondContact O-N 3.01Å; H996-K1037 PolarHBondContact O-NZ 2.91Å
997P78.8Confident88Confident99 Ų9950.7 Ų50.764%0.64327%0.273SS*.  trans-54.9132.5171.7-25.634.5000111.9
998Q82.7Confident87.9Confident73 Ų7350 Ų5034%0.34127%0.269SS..  trans-131.7148.2-178.7-68-70.2-21.700110.5S994 H996 I1000 D1001S994-Q998 VanDerWaalsContact OG-CG 3.24Å; S994-Q998 WeakPolarHBondContact OG-CG 3.35Å; H996-Q998 PolarHBondContact O-N 3.01Å; Q998-I1000 HydrophobicContact CB-CG2 3.88Å; Q998-I1000 PolarHBondContact O-N 2.94Å; Q998-D1001 PolarHBondContact N-OD2 3.15Å; Q998-D1001 WeakPolarHBondContact O-CB 3.43Å; Q998-D1001 VanDerWaalsContact O-CG 3.22Å; Q998-D1001 PolarHBondContact O-N 3.08Å; Q998-D1001 VanDerWaalsContact O-OD2 3.11Å
999P83.7Confident87.7Confident110 Ų11051 Ų5171%0.71428%0.279SS*.THydrogen-bonded Turntrans-57.2-19.7178.3-2634.7000115.5
1000I88.7Confident87.7Confident2 Ų253 Ų531%0.0129%0.29CS..THydrogen-bonded Turntrans-78.1-19.2179.4-169.9161.3000113.3T959 L960 P963 L967 T992 Q998 L1003 L1004T959-I1000 HydrophobicContact CG2-CD1 3.76Å; L960-I1000 HydrophobicContact CD2-CD1 4.38Å; L960-I1000 HydrophobicContact CD2-CG2 3.79Å; P963-I1000 HydrophobicContact CB-CB 3.97Å; P963-I1000 HydrophobicContact CB-CD1 3.96Å; P963-I1000 HydrophobicContact CB-CG1 3.84Å; P963-I1000 HydrophobicContact CG-CB 4.02Å; P963-I1000 HydrophobicContact CG-CD1 4.35Å; P963-I1000 HydrophobicContact CG-CG1 4.36Å; L967-I1000 HydrophobicContact CD2-CD1 4.42Å; L967-I1000 HydrophobicContact CD2-CG1 4.23Å; T992-I1000 HydrophobicContact CG2-CD1 4.16Å; Q998-I1000 HydrophobicContact CB-CG2 3.88Å; Q998-I1000 PolarHBondContact O-N 2.94Å; I1000-L1003 WeakPolarHBondContact O-CB 3.45Å; I1000-L1003 PolarHBondContact O-N 3.42Å; I1000-L1003 VanDerWaalsContact O-N 3.1Å; I1000-L1004 HydrophobicContact CB-CD1 4.4Å; I1000-L1004 HydrophobicContact CD1-CD1 4.24Å; I1000-L1004 HydrophobicContact CD1-CG 4.38Å; I1000-L1004 HydrophobicContact CG1-CD1 3.79Å; I1000-L1004 HydrophobicContact CG1-CG 3.84Å; I1000-L1004 HydrophobicContact CG2-CD1 3.88Å; I1000-L1004 PolarHBondContact O-N 2.98Å
1001D88.3Confident87.7Confident16 Ų1649.7 Ų49.79%0.08628%0.275CS..Hα-helixtrans-58.5-44.9-170-61.5-34.4000113.7Q998 L1003 L1004 K1005 K1037Q998-D1001 PolarHBondContact N-OD2 3.15Å; Q998-D1001 WeakPolarHBondContact O-CB 3.43Å; Q998-D1001 VanDerWaalsContact O-CG 3.22Å; Q998-D1001 PolarHBondContact O-N 3.08Å; Q998-D1001 VanDerWaalsContact O-OD2 3.11Å; D1001-L1003 VanDerWaalsContact C-N 3.28Å; D1001-L1003 PolarHBondContact O-N 3.17Å; D1001-L1004 PolarHBondContact O-N 3.23Å; D1001-K1005 PolarHBondContact O-N 3.49Å; D1001-K1037 HydrophobicContact CB-CD 4.39Å; D1001-K1037 WeakPolarHBondContact OD1-CD 3.43Å; D1001-K1037 IonicContact OD1-NZ 2.67Å; D1001-K1037 PolarHBondContact OD1-NZ 3.33Å; D1001-K1037 IonicContact OD2-NZ 2.95Å; D1001-K1037 PolarHBondContact OD2-NZ 2.91Å
1002P88.1Confident87.8Confident66 Ų6646.6 Ų46.643%0.42926%0.262SS..Hα-helixtrans-63.6-34.4177.7-22.634.8000112.8N1006P1002-N1006 PolarHBondContact O-ND2 3.48Å; P1002-N1006 VanDerWaalsContact O-ND2 3.09Å
1003L89.5Confident87.8Confident64 Ų6452.6 Ų52.634%0.33529%0.288SS..Hα-helixtrans-71.3-42.9176.9-61.5174.3000110.9P963 E964 L967 I1000 D1001 N1006 C1007P963-L1003 HydrophobicContact CB-CD1 3.87Å; E964-L1003 HydrophobicContact CG-CD1 4.03Å; L967-L1003 HydrophobicContact CD2-CB 3.77Å; I1000-L1003 WeakPolarHBondContact O-CB 3.45Å; I1000-L1003 PolarHBondContact O-N 3.42Å; I1000-L1003 VanDerWaalsContact O-N 3.1Å; D1001-L1003 VanDerWaalsContact C-N 3.28Å; D1001-L1003 PolarHBondContact O-N 3.17Å; L1003-N1006 PolarHBondContact O-N 2.86Å; L1003-C1007 PolarHBondContact O-SG 3.34Å; L1003-C1007 VanDerWaalsContact O-SG 3.37Å
1004L90.1Very high87.9Confident0 Ų052.7 Ų52.70%029%0.289CS..Hα-helixtrans-61.1-43.7175.4-82166.7000111.6L967 V989 I1000 D1001 N1006 C1007 I1008 L1040L967-L1004 HydrophobicContact CD1-CD2 3.83Å; L967-L1004 HydrophobicContact CD2-CD2 4.08Å; L967-L1004 HydrophobicContact CD2-CG 4.11Å; V989-L1004 HydrophobicContact CG1-CD2 3.96Å; I1000-L1004 HydrophobicContact CB-CD1 4.4Å; I1000-L1004 HydrophobicContact CD1-CD1 4.24Å; I1000-L1004 HydrophobicContact CD1-CG 4.38Å; I1000-L1004 HydrophobicContact CG1-CD1 3.79Å; I1000-L1004 HydrophobicContact CG1-CG 3.84Å; I1000-L1004 HydrophobicContact CG2-CD1 3.88Å; I1000-L1004 PolarHBondContact O-N 2.98Å; D1001-L1004 PolarHBondContact O-N 3.23Å; L1004-N1006 PolarHBondContact O-N 3.49Å; L1004-N1006 VanDerWaalsContact O-N 3.15Å; L1004-C1007 CarbonylContact O-C 3.6Å; L1004-C1007 PolarHBondContact O-N 3.13Å; L1004-I1008 VanDerWaalsContact O-CB 3.26Å; L1004-I1008 WeakPolarHBondContact O-CB 3.46Å; L1004-I1008 PolarHBondContact O-N 3.05Å; L1004-L1040 HydrophobicContact CB-CD1 4.47Å; L1004-L1040 HydrophobicContact CB-CD2 4.09Å
1005K87.1Confident88.2Confident67 Ų6751.3 Ų51.329%0.29128%0.279SS..Hα-helixtrans-53.8-37.6178.7-168.6171.5-177.2172.80112.1Q420 D1001 C1007 L1040Q420-K1005 VanDerWaalsContact CD-NZ 3.28Å; D1001-K1005 PolarHBondContact O-N 3.49Å; K1005-C1007 PolarHBondContact O-N 2.93Å; K1005-L1040 HydrophobicContact CB-CD2 3.95Å
1006N87.8Confident88.8Confident139 Ų13951.8 Ų51.874%0.74328%0.278SS*.Hα-helixtrans-74.5-18.6179.4-69.8-37.8000114.7P1002 L1003 L1004P1002-N1006 PolarHBondContact O-ND2 3.48Å; P1002-N1006 VanDerWaalsContact O-ND2 3.09Å; L1003-N1006 PolarHBondContact O-N 2.86Å; L1004-N1006 PolarHBondContact O-N 3.49Å; L1004-N1006 VanDerWaalsContact O-N 3.15Å
1007C91.2Very high89.5Confident11 Ų1146.9 Ų46.97%0.07426%0.256CS..Hα-helixtrans-129.9-7.4-17566.80000115.8K971 L1003 L1004 K1005 G1009 D1010 F1011K971-C1007 HydrophobicContact CD-CB 4.14Å; L1003-C1007 PolarHBondContact O-SG 3.34Å; L1003-C1007 VanDerWaalsContact O-SG 3.37Å; L1004-C1007 CarbonylContact O-C 3.6Å; L1004-C1007 PolarHBondContact O-N 3.13Å; K1005-C1007 PolarHBondContact O-N 2.93Å; C1007-G1009 PolarHBondContact O-N 3.4Å; C1007-D1010 WeakPolarHBondContact O-CB 3.28Å; C1007-D1010 PolarHBondContact O-N 2.85Å; C1007-F1011 WeakPolarHBondContact O-CD2 3.4Å
1008I91.3Very high90.1Very high1 Ų147.6 Ų47.61%0.00526%0.261CS..Hα-helixtrans-58.6-34.4-177.2-170.564.4000111.7V989 L1004 D1010 F1011 L1012 L1040 I1041 L1044V989-I1008 HydrophobicContact CG1-CD1 3.84Å; L1004-I1008 VanDerWaalsContact O-CB 3.26Å; L1004-I1008 WeakPolarHBondContact O-CB 3.46Å; L1004-I1008 PolarHBondContact O-N 3.05Å; I1008-D1010 PolarHBondContact O-N 3.15Å; I1008-F1011 PolarHBondContact O-N 3.11Å; I1008-L1012 HydrophobicContact CG1-CD1 4.47Å; I1008-L1012 HydrophobicContact CG1-CG 4.49Å; I1008-L1012 WeakPolarHBondContact O-CG 3.2Å; I1008-L1012 PolarHBondContact O-N 3.19Å; I1008-L1040 VanDerWaalsContact CG2-O 3.27Å; I1008-L1040 WeakPolarHBondContact CG2-O 3.38Å; I1008-I1041 HydrophobicContact CG1-CG2 4.49Å; I1008-L1044 HydrophobicContact CG2-CD1 3.77Å
1009G90.4Very high90.5Very high19 Ų1946.5 Ų46.520%0.19626%0.257CS..Hα-helixtrans-57.5-31.9173.100000113.6C1007 L1012 K1013C1007-G1009 PolarHBondContact O-N 3.4Å; G1009-L1012 PolarHBondContact O-N 3.03Å; G1009-K1013 WeakPolarHBondContact O-CG 3.43Å; G1009-K1013 PolarHBondContact O-N 3.16Å
1010D92.4Very high90.9Very high43 Ų4344 Ų4423%0.2324%0.237CC..Hα-helixtrans-71.7-33.8176.4-63.3-45.6000112.5K971 L974 C1007 I1008 K1013K971-D1010 WeakPolarHBondContact CE-OD2 3.48Å; K971-D1010 IonicContact NZ-OD2 3.81Å; K971-D1010 PolarHBondContact NZ-OD2 3.48Å; L974-D1010 HydrophobicContact CD1-CB 4.33Å; C1007-D1010 WeakPolarHBondContact O-CB 3.28Å; C1007-D1010 PolarHBondContact O-N 2.85Å; I1008-D1010 PolarHBondContact O-N 3.15Å; D1010-K1013 IonicContact OD1-NZ 3.97Å; D1010-K1013 PolarHBondContact OD1-NZ 3.29Å
1011F93.1Very high90.9Very high0 Ų045.8 Ų45.80%025%0.247CC..Hα-helixtrans-69.8-39.4171.7-65.5-86.4000110.8L967 L970 K971 L974 V985 V989 C1007 I1008 K1013 T1014L967-F1011 HydrophobicContact CD1-CE2 4.36Å; L967-F1011 HydrophobicContact CD1-CZ 4.35Å; L970-F1011 HydrophobicContact CB-CE1 4.44Å; L970-F1011 HydrophobicContact CB-CZ 4.23Å; K971-F1011 HydrophobicContact CB-CE2 4.47Å; K971-F1011 HydrophobicContact CB-CZ 4.1Å; L974-F1011 HydrophobicContact CD1-CD1 3.8Å; L974-F1011 HydrophobicContact CD1-CE1 3.89Å; L974-F1011 HydrophobicContact CD1-CG 4.13Å; L974-F1011 HydrophobicContact CD1-CZ 4.34Å; L974-F1011 HydrophobicContact CD2-CD1 3.75Å; L974-F1011 HydrophobicContact CD2-CE1 4.04Å; L974-F1011 HydrophobicContact CG-CD1 4.16Å; L974-F1011 HydrophobicContact CG-CE1 4.09Å; V985-F1011 HydrophobicContact CG1-CE1 3.84Å; V989-F1011 HydrophobicContact CB-CD1 4.28Å; V989-F1011 HydrophobicContact CB-CE1 4.45Å; V989-F1011 HydrophobicContact CG2-CD1 3.49Å; V989-F1011 VanDerWaalsContact CG2-CD1 3.49Å; V989-F1011 HydrophobicContact CG2-CD2 4.14Å; V989-F1011 HydrophobicContact CG2-CE1 3.24Å; V989-F1011 HydrophobicContact CG2-CE2 3.9Å; V989-F1011 HydrophobicContact CG2-CG 3.96Å; V989-F1011 HydrophobicContact CG2-CZ 3.46Å; V989-F1011 VanDerWaalsContact CG2-CZ 3.46Å; C1007-F1011 WeakPolarHBondContact O-CD2 3.4Å; I1008-F1011 PolarHBondContact O-N 3.11Å; F1011-K1013 VanDerWaalsContact C-N 3.34Å; F1011-K1013 PolarHBondContact O-N 3.21Å; F1011-T1014 WeakPolarHBondContact O-CB 3.36Å; F1011-T1014 WeakPolarHBondContact O-CG2 3.43Å; F1011-T1014 PolarHBondContact O-N 3.39Å; F1011-T1014 PolarHBondContact O-OG1 2.93Å
1012L92.9Very high91.2Very high5 Ų545 Ų453%0.02624%0.243CC..Hα-helixtrans-70.1-24.7179.1-66.6-178.8000114I1008 G1009 T1014 L1015 F1030 I1041 L1044 V1048I1008-L1012 HydrophobicContact CG1-CD1 4.47Å; I1008-L1012 HydrophobicContact CG1-CG 4.49Å; I1008-L1012 WeakPolarHBondContact O-CG 3.2Å; I1008-L1012 PolarHBondContact O-N 3.19Å; G1009-L1012 PolarHBondContact O-N 3.03Å; L1012-T1014 PolarHBondContact O-N 3.48Å; L1012-L1015 VanDerWaalsContact O-CB 3.3Å; L1012-L1015 WeakPolarHBondContact O-CB 3.39Å; L1012-L1015 WeakPolarHBondContact O-CD1 3.43Å; L1012-L1015 WeakPolarHBondContact O-CG 3.37Å; L1012-L1015 PolarHBondContact O-N 3.44Å; L1012-F1030 HydrophobicContact CD1-CD2 4.16Å; L1012-F1030 HydrophobicContact CD2-CB 3.67Å; L1012-F1030 HydrophobicContact CD2-CD2 4.19Å; L1012-F1030 HydrophobicContact CD2-CG 4.1Å; L1012-I1041 HydrophobicContact CD1-CG2 3.93Å; L1012-L1044 HydrophobicContact CD1-CD1 4.5Å; L1012-V1048 HydrophobicContact CB-CG2 4.4Å; L1012-V1048 HydrophobicContact CD1-CG2 4.16Å
1013K92.6Very high91.5Very high127 Ų12744 Ų4455%0.55223%0.23SC*.G310 helixtrans-55.6-20.8169.8-76.7170.7-169.9160.70113.2G1009 D1010 F1011 L1015 E1016G1009-K1013 WeakPolarHBondContact O-CG 3.43Å; G1009-K1013 PolarHBondContact O-N 3.16Å; D1010-K1013 IonicContact OD1-NZ 3.97Å; D1010-K1013 PolarHBondContact OD1-NZ 3.29Å; F1011-K1013 VanDerWaalsContact C-N 3.34Å; F1011-K1013 PolarHBondContact O-N 3.21Å; K1013-L1015 PolarHBondContact O-N 3.21Å; K1013-L1015 VanDerWaalsContact O-N 3.17Å; K1013-E1016 PolarHBondContact O-N 3.4Å; K1013-E1016 VanDerWaalsContact O-N 3.08Å
1014T92.9Very high91.6Very high12 Ų1244.2 Ų44.27%0.07423%0.227CC..G310 helixtrans-69-5.4174.866.20000114.1L974 V986 F1011 L1012 E1016 D1017 V1022 A1026L974-T1014 HydrophobicContact CD2-CG2 3.98Å; V986-T1014 HydrophobicContact CG2-CG2 3.96Å; F1011-T1014 WeakPolarHBondContact O-CB 3.36Å; F1011-T1014 WeakPolarHBondContact O-CG2 3.43Å; F1011-T1014 PolarHBondContact O-N 3.39Å; F1011-T1014 PolarHBondContact O-OG1 2.93Å; L1012-T1014 PolarHBondContact O-N 3.48Å; T1014-E1016 PolarHBondContact O-N 3.24Å; T1014-D1017 VanDerWaalsContact O-CB 3.23Å; T1014-D1017 WeakPolarHBondContact O-CB 3.48Å; T1014-D1017 PolarHBondContact O-N 3.07Å; T1014-D1017 VanDerWaalsContact O-N 3.09Å; T1014-V1022 HydrophobicContact CG2-CG1 4.44Å; T1014-A1026 VanDerWaalsContact OG1-CB 3.22Å; T1014-A1026 WeakPolarHBondContact OG1-CB 3.28Å
1015L92.2Very high91.8Very high4 Ų444.7 Ų44.72%0.02123%0.23CC..G310 helixtrans-58-23.1163.7-72.6168.9000112.7L1012 K1013 R1023 A1026 L1027 V1048 H1051L1012-L1015 VanDerWaalsContact O-CB 3.3Å; L1012-L1015 WeakPolarHBondContact O-CB 3.39Å; L1012-L1015 WeakPolarHBondContact O-CD1 3.43Å; L1012-L1015 WeakPolarHBondContact O-CG 3.37Å; L1012-L1015 PolarHBondContact O-N 3.44Å; K1013-L1015 PolarHBondContact O-N 3.21Å; K1013-L1015 VanDerWaalsContact O-N 3.17Å; L1015-R1023 WeakPolarHBondContact O-CD 3.27Å; L1015-R1023 WeakPolarHBondContact O-CG 3.33Å; L1015-A1026 HydrophobicContact CD2-CB 3.81Å; L1015-A1026 HydrophobicContact CG-CB 3.95Å; L1015-L1027 HydrophobicContact CD2-CB 4.35Å; L1015-L1027 HydrophobicContact CD2-CD2 3.46Å; L1015-L1027 VanDerWaalsContact CD2-CD2 3.46Å; L1015-L1027 HydrophobicContact CD2-CG 3.49Å; L1015-L1027 VanDerWaalsContact CD2-CG 3.49Å; L1015-V1048 HydrophobicContact CD1-CG1 3.68Å; L1015-H1051 HydrophobicContact CB-CB 4.29Å; L1015-H1051 HydrophobicContact CD1-CB 4.4Å
1016E92.1Very high92.1Very high110 Ų11041.5 Ų41.551%0.51422%0.216SC..G310 helixtrans-97.13.9178.1-58.5-179.7-96.700113.3K1013 T1014 H1051K1013-E1016 PolarHBondContact O-N 3.4Å; K1013-E1016 VanDerWaalsContact O-N 3.08Å; T1014-E1016 PolarHBondContact O-N 3.24Å; E1016-H1051 IonicContact OE1-CE1 2.69Å; E1016-H1051 PolarHBondContact OE1-CE1 3.4Å; E1016-H1051 IonicContact OE1-NE2 3.99Å; E1016-H1051 IonicContact OE2-CE1 3.9Å; E1016-H1051 PolarHBondContact OE2-CE1 2.99Å; E1016-H1051 VanDerWaalsContact OE2-CE1 3.3Å; E1016-H1051 IonicContact OE2-ND1 2.73Å
1017D93.3Very high92.4Very high16 Ų1634.9 Ų34.99%0.08618%0.18CC..  trans-58.4142.7-175-164.6-76.1000111.8R982 T1014 D1019 V1022 R1023R982-D1017 IonicContact CZ-OD1 3.95Å; R982-D1017 IonicContact CZ-OD2 3.63Å; R982-D1017 IonicContact NE-OD1 3.79Å; R982-D1017 IonicContact NE-OD2 3.98Å; R982-D1017 PolarHBondContact NE-OD2 3.28Å; R982-D1017 IonicContact NH2-OD1 3.92Å; R982-D1017 PolarHBondContact NH2-OD1 3.37Å; R982-D1017 IonicContact NH2-OD2 3.32Å; R982-D1017 PolarHBondContact NH2-OD2 2.88Å; T1014-D1017 VanDerWaalsContact O-CB 3.23Å; T1014-D1017 WeakPolarHBondContact O-CB 3.48Å; T1014-D1017 PolarHBondContact O-N 3.07Å; T1014-D1017 VanDerWaalsContact O-N 3.09Å; D1017-D1019 PolarHBondContact O-N 3.35Å; D1017-D1019 WeakPolarHBondContact OD1-CB 3.46Å; D1017-D1019 PolarHBondContact OD1-N 3.32Å; D1017-V1022 HydrophobicContact CB-CB 3.8Å; D1017-V1022 HydrophobicContact CB-CG1 3.58Å; D1017-R1023 HydrophobicContact CB-CG 4.44Å; D1017-R1023 PolarHBondContact O-NE 2.95Å; D1017-R1023 PolarHBondContact O-NH2 2.86Å
1018P91.3Very high92.5Very high115 Ų11536.3 Ų36.375%0.74719%0.189SC*.SBendtrans-59.5-26.1175.823.2-35.5000114.1
1019D92Very high92.6Very high50 Ų5036.4 Ų36.427%0.26719%0.189SC..SBendtrans-88.4125.8-179.1-174.6-80000112S979 D1017 N1021 V1022 R1023S979-D1019 WeakPolarHBondContact CB-OD2 3.47Å; S979-D1019 PolarHBondContact OG-OD2 3.29Å; D1017-D1019 PolarHBondContact O-N 3.35Å; D1017-D1019 WeakPolarHBondContact OD1-CB 3.46Å; D1017-D1019 PolarHBondContact OD1-N 3.32Å; D1019-N1021 VanDerWaalsContact C-N 3.3Å; D1019-N1021 PolarHBondContact O-N 3.43Å; D1019-N1021 WeakPolarHBondContact OD1-CA 3.17Å; D1019-N1021 VanDerWaalsContact OD1-CB 3.32Å; D1019-N1021 WeakPolarHBondContact OD1-CB 3.31Å; D1019-N1021 PolarHBondContact OD1-N 3.01Å; D1019-V1022 HydrophobicContact CB-CB 4.29Å; D1019-V1022 HydrophobicContact CB-CG2 3.88Å; D1019-V1022 PolarHBondContact O-N 3.5Å; D1019-V1022 PolarHBondContact OD1-N 3.46Å; D1019-V1022 VanDerWaalsContact OD1-N 3.11Å; D1019-R1023 PolarHBondContact O-N 3.02Å
1020L91.1Very high92.8Very high57 Ų5735.5 Ų35.530%0.29818%0.18SC..Hα-helixtrans-59.5-37.4-178.7-68.1179.3000112.9R1023 R1024 L1062 I1081L1020-R1023 PolarHBondContact O-N 3.27Å; L1020-R1024 PolarHBondContact O-N 2.87Å; L1020-L1062 HydrophobicContact CD1-CD2 3.91Å; L1020-L1062 HydrophobicContact CD2-CD1 4.15Å; L1020-L1062 HydrophobicContact CD2-CD2 4.35Å; L1020-I1081 HydrophobicContact CB-CD1 3.84Å; L1020-I1081 HydrophobicContact CD2-CD1 3.74Å; L1020-I1081 HydrophobicContact CG-CD1 4.32Å; L1020-I1081 WeakPolarHBondContact O-CD1 3.22Å
1021N90.3Very high92.8Very high40 Ų4034.8 Ų34.821%0.21418%0.176CC..Hα-helixtrans-72.1-34.3-179.2176.467.9000111.5S983 D1019 R1024 V1025S983-N1021 PolarHBondContact OG-ND2 3.24Å; S983-N1021 VanDerWaalsContact OG-ND2 3.07Å; D1019-N1021 VanDerWaalsContact C-N 3.3Å; D1019-N1021 PolarHBondContact O-N 3.43Å; D1019-N1021 WeakPolarHBondContact OD1-CA 3.17Å; D1019-N1021 VanDerWaalsContact OD1-CB 3.32Å; D1019-N1021 WeakPolarHBondContact OD1-CB 3.31Å; D1019-N1021 PolarHBondContact OD1-N 3.01Å; N1021-R1024 PolarHBondContact O-N 3.04Å; N1021-R1024 PolarHBondContact OD1-NE 3.26Å; N1021-R1024 PolarHBondContact OD1-NH2 2.86Å; N1021-V1025 WeakPolarHBondContact O-CG2 3.24Å; N1021-V1025 PolarHBondContact O-N 3.36Å
1022V93.2Very high92.8Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-62.4-46.4172.9-179.60000110.6S979 R982 T1014 D1017 D1019 R1024 V1025 A1026S979-V1022 WeakPolarHBondContact O-CG2 3.36Å; R982-V1022 HydrophobicContact CB-CG1 4.42Å; R982-V1022 HydrophobicContact CB-CG2 4.28Å; T1014-V1022 HydrophobicContact CG2-CG1 4.44Å; D1017-V1022 HydrophobicContact CB-CB 3.8Å; D1017-V1022 HydrophobicContact CB-CG1 3.58Å; D1019-V1022 HydrophobicContact CB-CB 4.29Å; D1019-V1022 HydrophobicContact CB-CG2 3.88Å; D1019-V1022 PolarHBondContact O-N 3.5Å; D1019-V1022 PolarHBondContact OD1-N 3.46Å; D1019-V1022 VanDerWaalsContact OD1-N 3.11Å; V1022-R1024 VanDerWaalsContact C-N 3.35Å; V1022-R1024 PolarHBondContact O-N 3.2Å; V1022-V1025 PolarHBondContact O-N 3.01Å; V1022-A1026 PolarHBondContact O-N 2.9Å
1023R94.2Very high92.7Very high44 Ų4435.4 Ų35.417%0.16618%0.181CC..Hα-helixtrans-58.9-44.2175.5-59.2-172.9-165.5-151.1-10.7112.7L1015 D1017 D1019 L1020 V1025 A1026 L1027 E1055L1015-R1023 WeakPolarHBondContact O-CD 3.27Å; L1015-R1023 WeakPolarHBondContact O-CG 3.33Å; D1017-R1023 HydrophobicContact CB-CG 4.44Å; D1017-R1023 PolarHBondContact O-NE 2.95Å; D1017-R1023 PolarHBondContact O-NH2 2.86Å; D1019-R1023 PolarHBondContact O-N 3.02Å; L1020-R1023 PolarHBondContact O-N 3.27Å; R1023-V1025 VanDerWaalsContact C-N 3.34Å; R1023-V1025 PolarHBondContact O-N 3.36Å; R1023-A1026 WeakPolarHBondContact O-CB 3.43Å; R1023-A1026 PolarHBondContact O-N 3.46Å; R1023-L1027 PolarHBondContact O-N 3.26Å; R1023-E1055 IonicContact CZ-OE1 2.86Å; R1023-E1055 IonicContact NH1-OE1 2.8Å; R1023-E1055 PolarHBondContact NH1-OE1 2.93Å
1024R93.2Very high92.6Very high68 Ų6829.3 Ų29.326%0.25716%0.155SC..Hα-helixtrans-57.1-47.3177.2-172.5-172.565.5100.8-7111.2E945 L1020 N1021 V1022 A1026 L1027 V1028 I1081E945-R1024 IonicContact OE1-NH2 3.91Å; E945-R1024 PolarHBondContact OE1-NH2 3.44Å; L1020-R1024 PolarHBondContact O-N 2.87Å; N1021-R1024 PolarHBondContact O-N 3.04Å; N1021-R1024 PolarHBondContact OD1-NE 3.26Å; N1021-R1024 PolarHBondContact OD1-NH2 2.86Å; V1022-R1024 VanDerWaalsContact C-N 3.35Å; V1022-R1024 PolarHBondContact O-N 3.2Å; R1024-A1026 VanDerWaalsContact C-N 3.33Å; R1024-A1026 PolarHBondContact O-N 3.22Å; R1024-L1027 PolarHBondContact O-N 2.99Å; R1024-V1028 WeakPolarHBondContact O-CG2 3.32Å; R1024-V1028 PolarHBondContact O-N 3.26Å; R1024-I1081 HydrophobicContact CB-CG1 3.95Å; R1024-I1081 HydrophobicContact CG-CG1 4.44Å
1025V92.7Very high92.4Very high10 Ų1035.1 Ų35.16%0.06118%0.18CC..Hα-helixtrans-66.1-37178.4170.60000111.6S983 V986 T987 N1021 V1022 R1023 V1028 T1029S983-V1025 WeakPolarHBondContact OG-CG2 3.13Å; V986-V1025 HydrophobicContact CB-CG1 3.88Å; V986-V1025 HydrophobicContact CG1-CG1 3.8Å; T987-V1025 WeakPolarHBondContact OG1-CG1 3.43Å; N1021-V1025 WeakPolarHBondContact O-CG2 3.24Å; N1021-V1025 PolarHBondContact O-N 3.36Å; V1022-V1025 PolarHBondContact O-N 3.01Å; R1023-V1025 VanDerWaalsContact C-N 3.34Å; R1023-V1025 PolarHBondContact O-N 3.36Å; V1025-V1028 PolarHBondContact O-N 3.1Å; V1025-T1029 WeakPolarHBondContact O-CB 3.31Å; V1025-T1029 PolarHBondContact O-N 3.27Å; V1025-T1029 PolarHBondContact O-OG1 3.05Å
1026A94.8Very high92.2Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-60.7-43.9174.300000111.6V986 T1014 L1015 V1022 R1023 R1024 T1029 F1030V986-A1026 HydrophobicContact CG1-CB 4.41Å; T1014-A1026 VanDerWaalsContact OG1-CB 3.22Å; T1014-A1026 WeakPolarHBondContact OG1-CB 3.28Å; L1015-A1026 HydrophobicContact CD2-CB 3.81Å; L1015-A1026 HydrophobicContact CG-CB 3.95Å; V1022-A1026 PolarHBondContact O-N 2.9Å; R1023-A1026 WeakPolarHBondContact O-CB 3.43Å; R1023-A1026 PolarHBondContact O-N 3.46Å; R1024-A1026 VanDerWaalsContact C-N 3.33Å; R1024-A1026 PolarHBondContact O-N 3.22Å; A1026-T1029 PolarHBondContact O-N 3.21Å; A1026-F1030 WeakPolarHBondContact O-CB 3.43Å; A1026-F1030 PolarHBondContact O-N 3.29Å
1027L94.3Very high92Very high0 Ų032.7 Ų32.70%017%0.171CC..Hα-helixtrans-62.3-44173.7-74.5171.1000112.7L1015 R1023 R1024 T1029 F1030 N1031 L1052 E1055 I1081 A1084 A1085L1015-L1027 HydrophobicContact CD2-CB 4.35Å; L1015-L1027 HydrophobicContact CD2-CD2 3.46Å; L1015-L1027 VanDerWaalsContact CD2-CD2 3.46Å; L1015-L1027 HydrophobicContact CD2-CG 3.49Å; L1015-L1027 VanDerWaalsContact CD2-CG 3.49Å; R1023-L1027 PolarHBondContact O-N 3.26Å; R1024-L1027 PolarHBondContact O-N 2.99Å; L1027-T1029 VanDerWaalsContact C-N 3.28Å; L1027-T1029 PolarHBondContact O-N 3.23Å; L1027-F1030 WeakPolarHBondContact O-CB 3.42Å; L1027-F1030 PolarHBondContact O-N 3.12Å; L1027-N1031 WeakPolarHBondContact O-CB 3.32Å; L1027-N1031 PolarHBondContact O-N 3.43Å; L1027-L1052 HydrophobicContact CD2-CD1 3.43Å; L1027-L1052 VanDerWaalsContact CD2-CD1 3.43Å; L1027-E1055 HydrophobicContact CD1-CB 4.23Å; L1027-I1081 HydrophobicContact CD1-CG2 3.67Å; L1027-I1081 WeakPolarHBondContact CD1-O 3.32Å; L1027-A1084 HydrophobicContact CB-CB 3.89Å; L1027-A1084 HydrophobicContact CD1-CB 4.14Å; L1027-A1085 HydrophobicContact CD1-CB 4.08Å; L1027-A1085 HydrophobicContact CD2-CB 4.38Å
1028V92.9Very high91.7Very high42 Ų4233.6 Ų33.626%0.25518%0.177SC..Hα-helixtrans-64.1-37177.6173.10000111.1K990 R1024 V1025 S1032 A1084K990-V1028 HydrophobicContact CD-CG1 4.08Å; R1024-V1028 WeakPolarHBondContact O-CG2 3.32Å; R1024-V1028 PolarHBondContact O-N 3.26Å; V1025-V1028 PolarHBondContact O-N 3.1Å; V1028-S1032 WeakPolarHBondContact O-CB 3.5Å; V1028-S1032 PolarHBondContact O-N 3.21Å; V1028-A1084 HydrophobicContact CG2-CB 4.3Å
1029T93Very high91.4Very high2 Ų229.3 Ų29.31%0.01215%0.15CC..Hα-helixtrans-70.5-40.8176.4-550000111V986 V989 K990 I993 V1025 A1026 L1027 S1032 A1033V986-T1029 HydrophobicContact CG1-CG2 4.4Å; V986-T1029 PolarHBondContact O-OG1 3.45Å; V989-T1029 HydrophobicContact CG1-CG2 4.45Å; K990-T1029 HydrophobicContact CB-CG2 4.11Å; I993-T1029 HydrophobicContact CD1-CG2 4.48Å; V1025-T1029 WeakPolarHBondContact O-CB 3.31Å; V1025-T1029 PolarHBondContact O-N 3.27Å; V1025-T1029 PolarHBondContact O-OG1 3.05Å; A1026-T1029 PolarHBondContact O-N 3.21Å; L1027-T1029 VanDerWaalsContact C-N 3.28Å; L1027-T1029 PolarHBondContact O-N 3.23Å; T1029-S1032 WeakPolarHBondContact O-CB 3.45Å; T1029-S1032 PolarHBondContact O-N 2.98Å; T1029-A1033 PolarHBondContact O-N 3.2Å
1030F94.7Very high91.2Very high0 Ų027.3 Ų27.30%014%0.139CC..Hα-helixtrans-60.2-46.7173.6-177.1-153000111.6L1012 A1026 L1027 S1032 A1033 A1034 I1041 L1045 V1048 L1052 C1088 L1092L1012-F1030 HydrophobicContact CD1-CD2 4.16Å; L1012-F1030 HydrophobicContact CD2-CB 3.67Å; L1012-F1030 HydrophobicContact CD2-CD2 4.19Å; L1012-F1030 HydrophobicContact CD2-CG 4.1Å; A1026-F1030 WeakPolarHBondContact O-CB 3.43Å; A1026-F1030 PolarHBondContact O-N 3.29Å; L1027-F1030 WeakPolarHBondContact O-CB 3.42Å; L1027-F1030 PolarHBondContact O-N 3.12Å; F1030-S1032 VanDerWaalsContact C-N 3.33Å; F1030-S1032 PolarHBondContact O-N 3.21Å; F1030-A1033 WeakPolarHBondContact O-CB 3.07Å; F1030-A1033 PolarHBondContact O-N 3.34Å; F1030-A1034 WeakPolarHBondContact O-CB 3.42Å; F1030-A1034 PolarHBondContact O-N 3.26Å; F1030-I1041 HydrophobicContact CD2-CB 4.47Å; F1030-I1041 HydrophobicContact CD2-CD1 3.93Å; F1030-I1041 HydrophobicContact CD2-CG2 4.14Å; F1030-I1041 HydrophobicContact CE2-CB 4.06Å; F1030-I1041 HydrophobicContact CE2-CD1 3.4Å; F1030-I1041 HydrophobicContact CE2-CG1 4.31Å; F1030-I1041 HydrophobicContact CE2-CG2 4.23Å; F1030-I1041 HydrophobicContact CZ-CD1 4.38Å; F1030-L1045 HydrophobicContact CE2-CD2 4.14Å; F1030-L1045 HydrophobicContact CZ-CD2 3.82Å; F1030-V1048 HydrophobicContact CD1-CG1 4.06Å; F1030-V1048 HydrophobicContact CE1-CG1 3.58Å; F1030-V1048 HydrophobicContact CE2-CG1 4.13Å; F1030-V1048 HydrophobicContact CZ-CB 4.48Å; F1030-V1048 HydrophobicContact CZ-CG1 3.64Å; F1030-L1052 HydrophobicContact CE1-CB 4.28Å; F1030-L1052 HydrophobicContact CE1-CD1 4.43Å; F1030-L1052 HydrophobicContact CE1-CD2 4.02Å; F1030-L1052 HydrophobicContact CE1-CG 4.47Å; F1030-C1088 WeakPolarHBondContact CD1-SG 3.48Å; F1030-L1092 HydrophobicContact CE1-CD1 4.4Å; F1030-L1092 HydrophobicContact CZ-CD1 4.19Å; F1030-L1092 HydrophobicContact CZ-CD2 4.5Å
1031N93.2Very high91.1Very high28 Ų2824.6 Ų24.615%0.1513%0.125CC..Hα-helixtrans-60.2-42.8175.5-170.523.9000111.5L1027 A1033 A1034 H1035 C1088 T1091L1027-N1031 WeakPolarHBondContact O-CB 3.32Å; L1027-N1031 PolarHBondContact O-N 3.43Å; N1031-A1033 VanDerWaalsContact C-N 3.33Å; N1031-A1033 PolarHBondContact O-N 3.26Å; N1031-A1034 PolarHBondContact O-N 3.07Å; N1031-H1035 WeakPolarHBondContact O-CB 3.45Å; N1031-H1035 PolarHBondContact O-N 2.94Å; N1031-C1088 HydrophobicContact CB-CB 4Å; N1031-T1091 WeakPolarHBondContact OD1-CB 3.45Å; N1031-T1091 PolarHBondContact OD1-OG1 2.8Å
1032S91.3Very high90.9Very high18 Ų1823.4 Ų23.413%0.12612%0.118CC..Hα-helixtrans-62.6-38.3175.9-161.70000112.6V1028 T1029 F1030 N1036V1028-S1032 WeakPolarHBondContact O-CB 3.5Å; V1028-S1032 PolarHBondContact O-N 3.21Å; T1029-S1032 WeakPolarHBondContact O-CB 3.45Å; T1029-S1032 PolarHBondContact O-N 2.98Å; F1030-S1032 VanDerWaalsContact C-N 3.33Å; F1030-S1032 PolarHBondContact O-N 3.21Å; S1032-N1036 WeakPolarHBondContact O-CB 3.38Å; S1032-N1036 PolarHBondContact O-N 3Å
1033A91.7Very high90.6Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-66.9-44.3173.900000111.4I993 T1029 F1030 N1031 H1035 K1037 I1041I993-A1033 HydrophobicContact CD1-CB 3.94Å; T1029-A1033 PolarHBondContact O-N 3.2Å; F1030-A1033 WeakPolarHBondContact O-CB 3.07Å; F1030-A1033 PolarHBondContact O-N 3.34Å; N1031-A1033 VanDerWaalsContact C-N 3.33Å; N1031-A1033 PolarHBondContact O-N 3.26Å; A1033-H1035 VanDerWaalsContact C-N 3.3Å; A1033-H1035 PolarHBondContact O-N 2.96Å; A1033-K1037 CarbonylContact O-C 3.51Å; A1033-K1037 WeakPolarHBondContact O-CA 3.29Å; A1033-K1037 PolarHBondContact O-N 3.45Å; A1033-K1037 VanDerWaalsContact O-O 3.05Å; A1033-I1041 HydrophobicContact CB-CG2 3.63Å
1034A90.5Very high90.3Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-64.2-31.5177.600000113.6F1030 N1031 I1041 T1091 L1092 S1095F1030-A1034 WeakPolarHBondContact O-CB 3.42Å; F1030-A1034 PolarHBondContact O-N 3.26Å; N1031-A1034 PolarHBondContact O-N 3.07Å; A1034-I1041 HydrophobicContact CB-CD1 3.57Å; A1034-T1091 HydrophobicContact CB-CG2 3.78Å; A1034-L1092 HydrophobicContact CB-CD2 3.97Å; A1034-L1092 HydrophobicContact CB-CG 4.44Å; A1034-S1095 WeakPolarHBondContact O-CB 3.41Å; A1034-S1095 PolarHBondContact O-OG 3.48Å
1035H89.3Confident90.1Very high133 Ų13324.2 Ų24.262%0.61613%0.13SC*.Hα-helixtrans-83.5-48.4179.5-176-86.5000112.2N1031 A1033 T1091N1031-H1035 WeakPolarHBondContact O-CB 3.45Å; N1031-H1035 PolarHBondContact O-N 2.94Å; A1033-H1035 VanDerWaalsContact C-N 3.3Å; A1033-H1035 PolarHBondContact O-N 2.96Å; H1035-T1091 HydrophobicContact CB-CG2 3.68Å
1036N87.7Confident89.8Confident50 Ų5028.9 Ų28.927%0.26715%0.154SC..Hα-helixtrans-90.6-34.4-170.9-64-16.6000113I993 D995 S1032I993-N1036 HydrophobicContact CG2-CB 3.94Å; I993-N1036 PolarHBondContact O-ND2 3.09Å; D995-N1036 WeakPolarHBondContact CA-O 3.3Å; S1032-N1036 WeakPolarHBondContact O-CB 3.38Å; S1032-N1036 PolarHBondContact O-N 3Å
1037K88.2Confident89.6Confident14 Ų1433.4 Ų33.46%0.06118%0.182CC..  trans-151.775.3-174.9-158.6160-74.31710112.9I993 S994 H996 D1001 A1033 S1039 L1040I993-K1037 HydrophobicContact CG2-CB 4.15Å; S994-K1037 WeakPolarHBondContact O-CE 3.43Å; S994-K1037 PolarHBondContact O-NZ 2.76Å; S994-K1037 VanDerWaalsContact O-NZ 3.1Å; H996-K1037 PolarHBondContact O-NZ 2.91Å; D1001-K1037 HydrophobicContact CB-CD 4.39Å; D1001-K1037 WeakPolarHBondContact OD1-CD 3.43Å; D1001-K1037 IonicContact OD1-NZ 2.67Å; D1001-K1037 PolarHBondContact OD1-NZ 3.33Å; D1001-K1037 IonicContact OD2-NZ 2.95Å; D1001-K1037 PolarHBondContact OD2-NZ 2.91Å; A1033-K1037 CarbonylContact O-C 3.51Å; A1033-K1037 WeakPolarHBondContact O-CA 3.29Å; A1033-K1037 PolarHBondContact O-N 3.45Å; A1033-K1037 VanDerWaalsContact O-O 3.05Å; K1037-S1039 PolarHBondContact O-N 3.39Å; K1037-S1039 VanDerWaalsContact O-N 3.14Å; K1037-L1040 HydrophobicContact CB-CD1 4.12Å; K1037-L1040 HydrophobicContact CB-CG 4.33Å; K1037-L1040 HydrophobicContact CD-CD1 4.23Å; K1037-L1040 HydrophobicContact CD-CG 4.29Å; K1037-L1040 HydrophobicContact CG-CD1 4.23Å; K1037-L1040 HydrophobicContact CG-CG 4.05Å; K1037-L1040 PolarHBondContact O-N 3.46Å
1038P86.1Confident89.5Confident35 Ų3534 Ų3423%0.22719%0.186CC..G310 helixtrans-58.2-30.2-173.9-21.730.9000113.9L1040 I1041 R1042P1038-L1040 PolarHBondContact O-N 3.3Å; P1038-L1040 VanDerWaalsContact O-N 3.1Å; P1038-I1041 VanDerWaalsContact O-CG1 3.26Å; P1038-I1041 WeakPolarHBondContact O-CG1 3.48Å; P1038-I1041 PolarHBondContact O-N 3Å; P1038-I1041 VanDerWaalsContact O-N 3.1Å; P1038-R1042 WeakPolarHBondContact O-CB 3.38Å; P1038-R1042 PolarHBondContact O-N 3.34Å; P1038-R1042 VanDerWaalsContact O-N 3.16Å
1039S85.6Confident89.4Confident25 Ų2532.6 Ų32.618%0.17518%0.177CC..G310 helixtrans-60.2-20-179.155.50000114.3D414 K1037D414-S1039 WeakPolarHBondContact OD2-CB 3.45Å; D414-S1039 PolarHBondContact OD2-OG 3.44Å; K1037-S1039 PolarHBondContact O-N 3.39Å; K1037-S1039 VanDerWaalsContact O-N 3.14Å
1040L87.4Confident89.5Confident7 Ų735.8 Ų35.84%0.03720%0.198CC..G310 helixtrans-72.4-33.9175.3-66.6178.6000113.5I993 L1004 K1005 I1008 K1037 P1038I993-L1040 HydrophobicContact CG1-CD1 4.4Å; L1004-L1040 HydrophobicContact CB-CD1 4.47Å; L1004-L1040 HydrophobicContact CB-CD2 4.09Å; K1005-L1040 HydrophobicContact CB-CD2 3.95Å; I1008-L1040 VanDerWaalsContact CG2-O 3.27Å; I1008-L1040 WeakPolarHBondContact CG2-O 3.38Å; K1037-L1040 HydrophobicContact CB-CD1 4.12Å; K1037-L1040 HydrophobicContact CB-CG 4.33Å; K1037-L1040 HydrophobicContact CD-CD1 4.23Å; K1037-L1040 HydrophobicContact CD-CG 4.29Å; K1037-L1040 HydrophobicContact CG-CD1 4.23Å; K1037-L1040 HydrophobicContact CG-CG 4.05Å; K1037-L1040 PolarHBondContact O-N 3.46Å; P1038-L1040 PolarHBondContact O-N 3.3Å; P1038-L1040 VanDerWaalsContact O-N 3.1Å
1041I89.5Confident89.4Confident1 Ų138.5 Ų38.51%0.00521%0.21CC..THydrogen-bonded Turntrans-108.9-15.2-169.155.8156.8000113.5I1008 L1012 F1030 A1033 A1034 P1038 D1043 L1044 L1045 L1092I1008-I1041 HydrophobicContact CG1-CG2 4.49Å; L1012-I1041 HydrophobicContact CD1-CG2 3.93Å; F1030-I1041 HydrophobicContact CD2-CB 4.47Å; F1030-I1041 HydrophobicContact CD2-CD1 3.93Å; F1030-I1041 HydrophobicContact CD2-CG2 4.14Å; F1030-I1041 HydrophobicContact CE2-CB 4.06Å; F1030-I1041 HydrophobicContact CE2-CD1 3.4Å; F1030-I1041 HydrophobicContact CE2-CG1 4.31Å; F1030-I1041 HydrophobicContact CE2-CG2 4.23Å; F1030-I1041 HydrophobicContact CZ-CD1 4.38Å; A1033-I1041 HydrophobicContact CB-CG2 3.63Å; A1034-I1041 HydrophobicContact CB-CD1 3.57Å; P1038-I1041 VanDerWaalsContact O-CG1 3.26Å; P1038-I1041 WeakPolarHBondContact O-CG1 3.48Å; P1038-I1041 PolarHBondContact O-N 3Å; P1038-I1041 VanDerWaalsContact O-N 3.1Å; I1041-D1043 VanDerWaalsContact C-N 3.35Å; I1041-D1043 PolarHBondContact O-N 3.49Å; I1041-L1044 WeakPolarHBondContact O-CA 3.41Å; I1041-L1044 WeakPolarHBondContact O-CB 3.3Å; I1041-L1044 PolarHBondContact O-N 3.17Å; I1041-L1045 HydrophobicContact CD1-CD2 4.41Å; I1041-L1045 PolarHBondContact O-N 3.24Å; I1041-L1092 HydrophobicContact CD1-CD2 4.19Å
1042R85.7Confident89.4Confident15 Ų1537.1 Ų37.16%0.05720%0.203CC..G310 helixtrans-59.1-42.6-166.8-169.7169.4166.288.716.5113.8P1038 L1044 L1045 D1098 R1099P1038-R1042 WeakPolarHBondContact O-CB 3.38Å; P1038-R1042 PolarHBondContact O-N 3.34Å; P1038-R1042 VanDerWaalsContact O-N 3.16Å; R1042-L1044 PolarHBondContact O-N 3.11Å; R1042-L1045 PolarHBondContact O-N 3.21Å; R1042-D1098 IonicContact CZ-OD1 3.54Å; R1042-D1098 VanDerWaalsContact CZ-OD1 3.26Å; R1042-D1098 IonicContact CZ-OD2 3.44Å; R1042-D1098 IonicContact NH1-OD1 2.88Å; R1042-D1098 PolarHBondContact NH1-OD1 2.79Å; R1042-D1098 IonicContact NH1-OD2 3.16Å; R1042-D1098 IonicContact NH2-OD1 3.9Å; R1042-D1098 PolarHBondContact NH2-OD1 3.13Å; R1042-D1098 IonicContact NH2-OD2 3.38Å; R1042-D1098 PolarHBondContact NH2-OD2 3.11Å; R1042-R1099 HydrophobicContact CG-CG 4.25Å; R1042-R1099 PolarHBondContact O-NH1 3.48Å
1043D86.1Confident89.5Confident79 Ų7936.5 Ų36.542%0.42220%0.198SC..G310 helixtrans-74.6-10.5178.1-64.6-28.3000113.2Q420 I1041 R1099Q420-D1043 PolarHBondContact NE2-OD2 3.44Å; I1041-D1043 VanDerWaalsContact C-N 3.35Å; I1041-D1043 PolarHBondContact O-N 3.49Å; D1043-R1099 IonicContact OD1-NH1 2.79Å
1044L88.9Confident89.6Confident50 Ų5040 Ų4026%0.26222%0.216SC..G310 helixtrans-99.1-7.8179.3-58.3173.6000112.8I1008 L1012 I1041 R1042 D1046 T1047 V1048I1008-L1044 HydrophobicContact CG2-CD1 3.77Å; L1012-L1044 HydrophobicContact CD1-CD1 4.5Å; I1041-L1044 WeakPolarHBondContact O-CA 3.41Å; I1041-L1044 WeakPolarHBondContact O-CB 3.3Å; I1041-L1044 PolarHBondContact O-N 3.17Å; R1042-L1044 PolarHBondContact O-N 3.11Å; L1044-D1046 VanDerWaalsContact C-N 3.31Å; L1044-D1046 PolarHBondContact O-N 2.93Å; L1044-T1047 PolarHBondContact O-N 3.25Å; L1044-V1048 HydrophobicContact CB-CG2 4.06Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.29Å; L1044-V1048 PolarHBondContact O-N 3.49Å
1045L89Confident89.7Confident0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-58.1-40.5-172.9-72.9176.6000112.9F1030 I1041 R1042 T1047 V1048 L1049 L1092 C1096 R1099F1030-L1045 HydrophobicContact CE2-CD2 4.14Å; F1030-L1045 HydrophobicContact CZ-CD2 3.82Å; I1041-L1045 HydrophobicContact CD1-CD2 4.41Å; I1041-L1045 PolarHBondContact O-N 3.24Å; R1042-L1045 PolarHBondContact O-N 3.21Å; L1045-T1047 PolarHBondContact O-N 2.66Å; L1045-T1047 VanDerWaalsContact O-N 3.13Å; L1045-V1048 PolarHBondContact O-N 3.41Å; L1045-V1048 VanDerWaalsContact O-N 3.14Å; L1045-L1049 HydrophobicContact CB-CD1 4.03Å; L1045-L1049 HydrophobicContact CB-CG 4.19Å; L1045-L1049 HydrophobicContact CD2-CD2 4.42Å; L1045-L1049 HydrophobicContact CD2-CG 4.32Å; L1045-L1049 VanDerWaalsContact O-CB 3.22Å; L1045-L1049 WeakPolarHBondContact O-CB 3.21Å; L1045-L1049 WeakPolarHBondContact O-CG 3.37Å; L1045-L1049 PolarHBondContact O-N 3.2Å; L1045-L1092 HydrophobicContact CD2-CD2 3.98Å; L1045-C1096 HydrophobicContact CD1-CB 3.68Å; L1045-R1099 HydrophobicContact CD1-CB 3.58Å; L1045-R1099 HydrophobicContact CD1-CG 4.11Å
1046D86.7Confident89.9Confident107 Ų10734 Ų3457%0.57219%0.189SC*.Hα-helixtrans-60.2-28.7179.1-56.1-31.2000112.3L1044 R1099L1044-D1046 VanDerWaalsContact C-N 3.31Å; L1044-D1046 PolarHBondContact O-N 2.93Å; D1046-R1099 IonicContact OD1-NH2 2.94Å; D1046-R1099 IonicContact OD2-CZ 3.82Å; D1046-R1099 IonicContact OD2-NH2 3.29Å; D1046-R1099 PolarHBondContact OD2-NH2 3.32Å
1047T89.4Confident90.2Very high96 Ų9636.6 Ų36.659%0.58920%0.198SC*.Hα-helixtrans-89.6-36.3176.6-49.90000112L1044 L1045 H1051L1044-T1047 PolarHBondContact O-N 3.25Å; L1045-T1047 PolarHBondContact O-N 2.66Å; L1045-T1047 VanDerWaalsContact O-N 3.13Å; T1047-H1051 PolarHBondContact O-CD2 3.35Å; T1047-H1051 PolarHBondContact O-NE2 2.76Å
1048V92Very high90.3Very high11 Ų1139.6 Ų39.67%0.06722%0.218CC..Hα-helixtrans-87-34-171.3177.20000113.1L1012 L1015 F1030 L1044 L1045 H1051 L1052L1012-V1048 HydrophobicContact CB-CG2 4.4Å; L1012-V1048 HydrophobicContact CD1-CG2 4.16Å; L1015-V1048 HydrophobicContact CD1-CG1 3.68Å; F1030-V1048 HydrophobicContact CD1-CG1 4.06Å; F1030-V1048 HydrophobicContact CE1-CG1 3.58Å; F1030-V1048 HydrophobicContact CE2-CG1 4.13Å; F1030-V1048 HydrophobicContact CZ-CB 4.48Å; F1030-V1048 HydrophobicContact CZ-CG1 3.64Å; L1044-V1048 HydrophobicContact CB-CG2 4.06Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.29Å; L1044-V1048 PolarHBondContact O-N 3.49Å; L1045-V1048 PolarHBondContact O-N 3.41Å; L1045-V1048 VanDerWaalsContact O-N 3.14Å; V1048-H1051 WeakPolarHBondContact O-CB 3.23Å; V1048-H1051 PolarHBondContact O-N 3.39Å; V1048-H1051 VanDerWaalsContact O-N 3.08Å; V1048-L1052 PolarHBondContact O-N 3.39Å
1049L92.1Very high90.5Very high13 Ų1340 Ų407%0.06821%0.214CC..Hα-helixtrans-56.1-44.1-178.2-75.8171.3000113.4L1045 H1051 L1052 Y1053 L1092 L1100L1045-L1049 HydrophobicContact CB-CD1 4.03Å; L1045-L1049 HydrophobicContact CB-CG 4.19Å; L1045-L1049 HydrophobicContact CD2-CD2 4.42Å; L1045-L1049 HydrophobicContact CD2-CG 4.32Å; L1045-L1049 VanDerWaalsContact O-CB 3.22Å; L1045-L1049 WeakPolarHBondContact O-CB 3.21Å; L1045-L1049 WeakPolarHBondContact O-CG 3.37Å; L1045-L1049 PolarHBondContact O-N 3.2Å; L1049-H1051 PolarHBondContact O-N 3.03Å; L1049-L1052 HydrophobicContact CD2-CD2 4.17Å; L1049-L1052 WeakPolarHBondContact O-CB 3.04Å; L1049-L1052 PolarHBondContact O-N 2.94Å; L1049-L1052 VanDerWaalsContact O-N 3.15Å; L1049-Y1053 HydrophobicContact CB-CD2 4.48Å; L1049-Y1053 HydrophobicContact CB-CE2 4.16Å; L1049-Y1053 WeakPolarHBondContact O-CB 3.47Å; L1049-Y1053 WeakPolarHBondContact O-CD2 3.4Å; L1049-Y1053 PolarHBondContact O-N 3.28Å; L1049-L1092 HydrophobicContact CD2-CD1 3.99Å; L1049-L1100 HydrophobicContact CD1-CD2 3.88Å; L1049-L1100 HydrophobicContact CD2-CD2 3.82Å
1050P93.4Very high90.6Very high70 Ų7047.2 Ų47.246%0.45524%0.243SC..Hα-helixtrans-56.8-37176.2-26.935.8000113.3N1054P1050-N1054 WeakPolarHBondContact O-CB 3.14Å; P1050-N1054 PolarHBondContact O-N 2.74Å
1051H92.8Very high90.7Very high56 Ų5653.9 Ų53.926%0.25927%0.274SS..Hα-helixtrans-71.8-42.9177.5-56.3-69.7000111.5L1015 E1016 T1047 V1048 L1049 N1054 E1055L1015-H1051 HydrophobicContact CB-CB 4.29Å; L1015-H1051 HydrophobicContact CD1-CB 4.4Å; E1016-H1051 IonicContact OE1-CE1 2.69Å; E1016-H1051 PolarHBondContact OE1-CE1 3.4Å; E1016-H1051 IonicContact OE1-NE2 3.99Å; E1016-H1051 IonicContact OE2-CE1 3.9Å; E1016-H1051 PolarHBondContact OE2-CE1 2.99Å; E1016-H1051 VanDerWaalsContact OE2-CE1 3.3Å; E1016-H1051 IonicContact OE2-ND1 2.73Å; T1047-H1051 PolarHBondContact O-CD2 3.35Å; T1047-H1051 PolarHBondContact O-NE2 2.76Å; V1048-H1051 WeakPolarHBondContact O-CB 3.23Å; V1048-H1051 PolarHBondContact O-N 3.39Å; V1048-H1051 VanDerWaalsContact O-N 3.08Å; L1049-H1051 PolarHBondContact O-N 3.03Å; H1051-N1054 PolarHBondContact O-N 3.36Å; H1051-E1055 WeakPolarHBondContact O-CG 3.35Å; H1051-E1055 PolarHBondContact O-N 3.39Å
1052L93.7Very high90.7Very high0 Ų055.1 Ų55.10%028%0.28CS..Hα-helixtrans-56.4-52.5173.1173.969000111.1L1027 F1030 V1048 L1049 N1054 E1055 T1056 A1085 C1088 M1089 L1092L1027-L1052 HydrophobicContact CD2-CD1 3.43Å; L1027-L1052 VanDerWaalsContact CD2-CD1 3.43Å; F1030-L1052 HydrophobicContact CE1-CB 4.28Å; F1030-L1052 HydrophobicContact CE1-CD1 4.43Å; F1030-L1052 HydrophobicContact CE1-CD2 4.02Å; F1030-L1052 HydrophobicContact CE1-CG 4.47Å; V1048-L1052 PolarHBondContact O-N 3.39Å; L1049-L1052 HydrophobicContact CD2-CD2 4.17Å; L1049-L1052 WeakPolarHBondContact O-CB 3.04Å; L1049-L1052 PolarHBondContact O-N 2.94Å; L1049-L1052 VanDerWaalsContact O-N 3.15Å; L1052-N1054 VanDerWaalsContact C-N 3.29Å; L1052-N1054 PolarHBondContact O-N 3.48Å; L1052-E1055 PolarHBondContact O-N 2.92Å; L1052-T1056 PolarHBondContact O-N 3.17Å; L1052-A1085 HydrophobicContact CD1-CB 3.9Å; L1052-C1088 HydrophobicContact CD1-CB 3.93Å; L1052-M1089 HydrophobicContact CD2-CG 3.88Å; L1052-M1089 HydrophobicContact CG-CG 4.37Å; L1052-L1092 HydrophobicContact CD2-CD1 3.68Å
1053Y94.4Very high90.9Very high5 Ų557.4 Ų57.42%0.0229%0.293CS..Hα-helixtrans-61-36.7-179.6-73.7-21.5000112.6L1049 E1055 T1056 M1089 E1104 F1105 H1108L1049-Y1053 HydrophobicContact CB-CD2 4.48Å; L1049-Y1053 HydrophobicContact CB-CE2 4.16Å; L1049-Y1053 WeakPolarHBondContact O-CB 3.47Å; L1049-Y1053 WeakPolarHBondContact O-CD2 3.4Å; L1049-Y1053 PolarHBondContact O-N 3.28Å; Y1053-E1055 VanDerWaalsContact C-N 3.28Å; Y1053-E1055 PolarHBondContact O-N 3.33Å; Y1053-T1056 PolarHBondContact O-N 3.34Å; Y1053-T1056 PolarHBondContact O-OG1 3.07Å; Y1053-M1089 HydrophobicContact CD1-SD 4.32Å; Y1053-M1089 HydrophobicContact CE1-CE 4.21Å; Y1053-M1089 HydrophobicContact CE1-CG 4.45Å; Y1053-M1089 HydrophobicContact CE1-SD 4.35Å; Y1053-E1104 HydrophobicContact CD2-CG 4.04Å; Y1053-E1104 HydrophobicContact CE2-CB 4.49Å; Y1053-E1104 HydrophobicContact CE2-CG 3.81Å; Y1053-F1105 HydrophobicContact CE1-CD2 4.3Å; Y1053-H1108 WeakPolarHBondContact CB-NE2 3.32Å; Y1053-H1108 AromaticContact CD1-CD2 3.64Å; Y1053-H1108 AromaticContact CD2-NE2 3.98Å; Y1053-H1108 AromaticContact CG-CD2 3.64Å; Y1053-H1108 AromaticContact CG-NE2 3.53Å; Y1053-H1108 PolarHBondContact O-CE1 2.96Å; Y1053-H1108 VanDerWaalsContact O-CE1 3.31Å
1054N93Very high91Very high72 Ų7260 Ų6039%0.38530%0.297SS..Hα-helixtrans-63.7-35.2174.9-169.359.7000112.7P1050 H1051 L1052 T1056 K1057P1050-N1054 WeakPolarHBondContact O-CB 3.14Å; P1050-N1054 PolarHBondContact O-N 2.74Å; H1051-N1054 PolarHBondContact O-N 3.36Å; L1052-N1054 VanDerWaalsContact C-N 3.29Å; L1052-N1054 PolarHBondContact O-N 3.48Å; N1054-T1056 PolarHBondContact O-N 2.79Å; N1054-K1057 PolarHBondContact O-N 3Å
1055E93.4Very high90.8Very high4 Ų463.4 Ų63.42%0.01931%0.311CS..THydrogen-bonded Turntrans-75.2-6.1178.1-64.4-57.8150.400113.5R1023 L1027 H1051 L1052 Y1053 R1059 I1081 R1082 A1085R1023-E1055 IonicContact CZ-OE1 2.86Å; R1023-E1055 IonicContact NH1-OE1 2.8Å; R1023-E1055 PolarHBondContact NH1-OE1 2.93Å; L1027-E1055 HydrophobicContact CD1-CB 4.23Å; H1051-E1055 WeakPolarHBondContact O-CG 3.35Å; H1051-E1055 PolarHBondContact O-N 3.39Å; L1052-E1055 PolarHBondContact O-N 2.92Å; Y1053-E1055 VanDerWaalsContact C-N 3.28Å; Y1053-E1055 PolarHBondContact O-N 3.33Å; E1055-R1059 IonicContact OE1-NH1 3.34Å; E1055-R1059 PolarHBondContact OE1-NH1 3.19Å; E1055-R1059 IonicContact OE1-NH2 3.54Å; E1055-R1059 IonicContact OE2-CZ 3.34Å; E1055-R1059 IonicContact OE2-NH1 2.62Å; E1055-R1059 PolarHBondContact OE2-NH1 3.39Å; E1055-R1059 IonicContact OE2-NH2 3.5Å; E1055-R1059 PolarHBondContact OE2-NH2 2.9Å; E1055-I1081 HydrophobicContact CB-CG2 3.91Å; E1055-I1081 HydrophobicContact CG-CG2 4.22Å; E1055-I1081 VanDerWaalsContact OE2-CG2 3.27Å; E1055-I1081 WeakPolarHBondContact OE2-CG2 3.31Å; E1055-R1082 WeakPolarHBondContact O-CG 3.4Å; E1055-A1085 HydrophobicContact CB-CB 4.3Å
1056T93.4Very high90.6Very high5 Ų565.9 Ų65.93%0.03133%0.326CS..THydrogen-bonded Turntrans-82.8-15.2170.969.60000113.6L1052 Y1053 N1054 R1082 A1085 F1086 M1089 H1108L1052-T1056 PolarHBondContact O-N 3.17Å; Y1053-T1056 PolarHBondContact O-N 3.34Å; Y1053-T1056 PolarHBondContact O-OG1 3.07Å; N1054-T1056 PolarHBondContact O-N 2.79Å; T1056-R1082 WeakPolarHBondContact O-CD 3.25Å; T1056-A1085 HydrophobicContact CG2-CB 3.95Å; T1056-F1086 HydrophobicContact CG2-CE2 4.31Å; T1056-F1086 HydrophobicContact CG2-CZ 4.39Å; T1056-M1089 HydrophobicContact CG2-SD 3.64Å; T1056-H1108 PolarHBondContact OG1-ND1 2.99Å
1057K92.6Very high90.3Very high103 Ų10367.7 Ų67.745%0.44833%0.331SS..SBendtrans-81137.3-173-64.5176.6-177170.30111.3N1054 R1059N1054-K1057 PolarHBondContact O-N 3Å; K1057-R1059 PolarHBondContact O-N 3.26Å
1058V91.4Very high89.3Confident78 Ų7869 Ų6947%0.47333%0.332SS..  trans-70.6113.5173.3-1760000109.6I1063V1058-I1063 HydrophobicContact CG1-CD1 3.76Å
1059R90.3Very high88.6Confident42 Ų4271.6 Ų71.616%0.15836%0.361CS..  trans-99.9117179.4-78-176.7-64.9-152.4-6110.8E1055 K1057 E1061 L1062E1055-R1059 IonicContact OE1-NH1 3.34Å; E1055-R1059 PolarHBondContact OE1-NH1 3.19Å; E1055-R1059 IonicContact OE1-NH2 3.54Å; E1055-R1059 IonicContact OE2-CZ 3.34Å; E1055-R1059 IonicContact OE2-NH1 2.62Å; E1055-R1059 PolarHBondContact OE2-NH1 3.39Å; E1055-R1059 IonicContact OE2-NH2 3.5Å; E1055-R1059 PolarHBondContact OE2-NH2 2.9Å; K1057-R1059 PolarHBondContact O-N 3.26Å; R1059-E1061 HydrophobicContact CB-CG 4.31Å; R1059-E1061 WeakPolarHBondContact CD-OE1 3.41Å; R1059-E1061 WeakPolarHBondContact CG-OE1 3.45Å; R1059-E1061 PolarHBondContact O-N 3.25Å; R1059-L1062 HydrophobicContact CB-CD1 4.23Å; R1059-L1062 HydrophobicContact CB-CG 4.18Å; R1059-L1062 PolarHBondContact O-N 2.88Å
1060K87.7Confident87.8Confident178 Ų17876.8 Ų76.877%0.77440%0.396SS*.G310 helixtrans-65.4-29.2-175.7-68-175.4-179.9179.40112.6L1062 I1063K1060-L1062 PolarHBondContact O-N 3.47Å; K1060-I1063 PolarHBondContact O-N 2.98Å; K1060-I1063 VanDerWaalsContact O-N 3.16Å
1061E90.2Very high86.5Confident146 Ų14680.8 Ų80.868%0.68241%0.406SS*.G310 helixtrans-66.4-17.6177.562.7-88.1-156.200114R1059R1059-E1061 HydrophobicContact CB-CG 4.31Å; R1059-E1061 WeakPolarHBondContact CD-OE1 3.41Å; R1059-E1061 WeakPolarHBondContact CG-OE1 3.45Å; R1059-E1061 PolarHBondContact O-N 3.25Å
1062L88.4Confident85.8Confident28 Ų2884.6 Ų84.615%0.14742%0.422CS..G310 helixtrans-96.7-0.3175.4-59.3-176.4000113.1L1020 R1059 K1060 D1077L1020-L1062 HydrophobicContact CD1-CD2 3.91Å; L1020-L1062 HydrophobicContact CD2-CD1 4.15Å; L1020-L1062 HydrophobicContact CD2-CD2 4.35Å; R1059-L1062 HydrophobicContact CB-CD1 4.23Å; R1059-L1062 HydrophobicContact CB-CG 4.18Å; R1059-L1062 PolarHBondContact O-N 2.88Å; K1060-L1062 PolarHBondContact O-N 3.47Å; L1062-D1077 PolarHBondContact O-N 3.18Å
1063I89Confident85.1Confident62 Ų6289.6 Ų89.632%0.31845%0.445SS..EExtended strand (participates in β ladder)trans-105.2120.4-177.9-59.3175.3000108.8V1058 K1060 T1074 V1075 D1076V1058-I1063 HydrophobicContact CG1-CD1 3.76Å; K1060-I1063 PolarHBondContact O-N 2.98Å; K1060-I1063 VanDerWaalsContact O-N 3.16Å; I1063-T1074 HydrophobicContact CG2-CG2 3.4Å; I1063-V1075 WeakPolarHBondContact CA-O 3.46Å; I1063-D1076 HydrophobicContact CG1-CB 4.23Å
1064R89.6Confident84.6Confident133 Ų13393.2 Ų93.250%0.50247%0.468SS..EExtended strand (participates in β ladder)trans-125.6143.6177.558.3-178.1166138.83.2111.6V1066 V1075 D1077R1064-V1066 HydrophobicContact CG-CG2 4.35Å; R1064-V1075 HydrophobicContact CG-CB 4.04Å; R1064-V1075 PolarHBondContact N-O 3.48Å; R1064-V1075 PolarHBondContact O-N 3.45Å; R1064-D1077 IonicContact CZ-OD1 3.33Å; R1064-D1077 IonicContact CZ-OD2 2.78Å; R1064-D1077 IonicContact NE-OD1 3.53Å; R1064-D1077 IonicContact NE-OD2 3.02Å; R1064-D1077 PolarHBondContact NE-OD2 3.34Å; R1064-D1077 IonicContact NH2-OD1 2.88Å; R1064-D1077 PolarHBondContact NH2-OD1 3.4Å; R1064-D1077 IonicContact NH2-OD2 3.08Å
1065E84.7Confident84.3Confident123 Ų12391.5 Ų91.558%0.57546%0.46SS*.EExtended strand (participates in β ladder)trans-90.1119.8169.9-66.1-172.9169.500109.1K1072E1065-K1072 WeakPolarHBondContact OE2-CD 3.38Å; E1065-K1072 IonicContact OE2-NZ 3.57Å; E1065-K1072 PolarHBondContact OE2-NZ 3.21Å; E1065-K1072 VanDerWaalsContact OE2-NZ 3.08Å
1066V84.1Confident84.2Confident52 Ų5293 Ų9332%0.31547%0.468SS..EExtended strand (participates in β ladder)trans-103.9122.5173.9-1760000108.3R1064 M1068 H1073 V1075R1064-V1066 HydrophobicContact CG-CG2 4.35Å; V1066-M1068 PolarHBondContact O-N 3.21Å; V1066-H1073 PolarHBondContact N-O 3.34Å; V1066-H1073 PolarHBondContact O-N 3.4Å; V1066-V1075 HydrophobicContact CB-CG2 4.31Å; V1066-V1075 HydrophobicContact CG2-CB 4.35Å; V1066-V1075 HydrophobicContact CG2-CG2 3.68Å
1067E79.8Confident84Confident144 Ų14496 Ų9667%0.67348%0.484SS*.EExtended strand (participates in β ladder)trans-75.4117.6173.6-70.6-172.5162.700110.2K1072E1067-K1072 HydrophobicContact CG-CG 4.49Å
1068M69.3Low83.9Confident124 Ų12491.2 Ų91.261%0.61146%0.464SS*.EExtended strand (participates in β ladder)trans-111.979.4174.5-68.8-114-77.300108.5V1066 F1071 H1073V1066-M1068 PolarHBondContact O-N 3.21Å; M1068-F1071 PolarHBondContact N-O 3.49Å; M1068-F1071 PolarHBondContact O-N 3.36Å; M1068-H1073 HydrophobicContact CG-CB 4.38Å
1069G77.5Confident83.9Confident65 Ų6588.9 Ų88.967%0.6745%0.448SS*.THydrogen-bonded Turntrans68-126.9-173.200000111.3F1071G1069-F1071 PolarHBondContact O-N 3.48Å
1070P74.2Confident83.9Confident123 Ų12391.7 Ų91.780%0.79947%0.467SS*.THydrogen-bonded Turntrans-79.2-1.1176.833.2-34000113.8
1071F66Low84.2Confident154 Ų15483.4 Ų83.468%0.67543%0.431SS*.EExtended strand (participates in β ladder)trans-106.2138.1-177.2-57.1-77.9000111.3M1068 G1069M1068-F1071 PolarHBondContact N-O 3.49Å; M1068-F1071 PolarHBondContact O-N 3.36Å; G1069-F1071 PolarHBondContact O-N 3.48Å
1072K78.3Confident84.4Confident135 Ų13576.8 Ų76.859%0.58740%0.4SS*.EExtended strand (participates in β ladder)trans-93.4123.8168.2-66.3-174.1164.4-1550109.2E1065 E1067E1065-K1072 WeakPolarHBondContact OE2-CD 3.38Å; E1065-K1072 IonicContact OE2-NZ 3.57Å; E1065-K1072 PolarHBondContact OE2-NZ 3.21Å; E1065-K1072 VanDerWaalsContact OE2-NZ 3.08Å; E1067-K1072 HydrophobicContact CG-CG 4.49Å
1073H80.7Confident84.7Confident105 Ų10577.7 Ų77.749%0.48640%0.402SS..EExtended strand (participates in β ladder)trans-111.7121.3176.4-174.565.5000109.7V1066 M1068 V1075V1066-H1073 PolarHBondContact N-O 3.34Å; V1066-H1073 PolarHBondContact O-N 3.4Å; M1068-H1073 HydrophobicContact CG-CB 4.38Å; H1073-V1075 PolarHBondContact O-N 3.08Å
1074T83.6Confident84.9Confident81 Ų8175 Ų7550%0.49739%0.389SS..EExtended strand (participates in β ladder)trans-79.9118.1176.2-51.80000109.2I1063I1063-T1074 HydrophobicContact CG2-CG2 3.4Å
1075V85.9Confident85.2Confident37 Ų3768.7 Ų68.722%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-103.8120.9173.4-179.40000107.7I1063 R1064 V1066 H1073I1063-V1075 WeakPolarHBondContact CA-O 3.46Å; R1064-V1075 HydrophobicContact CG-CB 4.04Å; R1064-V1075 PolarHBondContact N-O 3.48Å; R1064-V1075 PolarHBondContact O-N 3.45Å; V1066-V1075 HydrophobicContact CB-CG2 4.31Å; V1066-V1075 HydrophobicContact CG2-CB 4.35Å; V1066-V1075 HydrophobicContact CG2-CG2 3.68Å; H1073-V1075 PolarHBondContact O-N 3.08Å
1076D91.2Very high85.7Confident35 Ų3562.8 Ų62.819%0.18734%0.338CS..EExtended strand (participates in β ladder)trans-105.595.7175.8-179-9.5000108.4I1063 G1078 L1079 R1082I1063-D1076 HydrophobicContact CG1-CB 4.23Å; D1076-G1078 PolarHBondContact O-N 3.2Å; D1076-G1078 VanDerWaalsContact O-N 3.11Å; D1076-G1078 WeakPolarHBondContact OD1-CA 3.38Å; D1076-G1078 PolarHBondContact OD1-N 3.44Å; D1076-L1079 HydrophobicContact CB-CB 4.14Å; D1076-L1079 WeakPolarHBondContact O-CB 3.12Å; D1076-L1079 PolarHBondContact O-N 3.4Å; D1076-L1079 VanDerWaalsContact O-N 3.14Å; D1076-L1079 PolarHBondContact OD1-N 2.86Å; D1076-R1082 VanDerWaalsContact CG-NH1 3.33Å; D1076-R1082 IonicContact OD1-NH1 3.73Å; D1076-R1082 PolarHBondContact OD1-NH1 3.45Å; D1076-R1082 VanDerWaalsContact OD1-NH1 3.16Å; D1076-R1082 IonicContact OD2-CZ 2.69Å; D1076-R1082 IonicContact OD2-NH1 3Å; D1076-R1082 PolarHBondContact OD2-NH1 3.07Å; D1076-R1082 IonicContact OD2-NH2 2.91Å; D1076-R1082 PolarHBondContact OD2-NH2 2.92Å
1077D89.1Confident86.2Confident68 Ų6864.3 Ų64.336%0.36434%0.342SS..THydrogen-bonded Turntrans-66.5-9.8-179.2-62.6-55.5000111.5L1062 R1064L1062-D1077 PolarHBondContact O-N 3.18Å; R1064-D1077 IonicContact CZ-OD1 3.33Å; R1064-D1077 IonicContact CZ-OD2 2.78Å; R1064-D1077 IonicContact NE-OD1 3.53Å; R1064-D1077 IonicContact NE-OD2 3.02Å; R1064-D1077 PolarHBondContact NE-OD2 3.34Å; R1064-D1077 IonicContact NH2-OD1 2.88Å; R1064-D1077 PolarHBondContact NH2-OD1 3.4Å; R1064-D1077 IonicContact NH2-OD2 3.08Å
1078G90.5Very high86.8Confident2 Ų257.5 Ų57.52%0.02131%0.31CS..THydrogen-bonded Turntrans-94.7-7.3175.200000115.1D1076 D1080 I1081 R1082D1076-G1078 PolarHBondContact O-N 3.2Å; D1076-G1078 VanDerWaalsContact O-N 3.11Å; D1076-G1078 WeakPolarHBondContact OD1-CA 3.38Å; D1076-G1078 PolarHBondContact OD1-N 3.44Å; G1078-D1080 PolarHBondContact O-N 3.43Å; G1078-I1081 PolarHBondContact O-N 3.18Å; G1078-R1082 WeakPolarHBondContact O-CG 3.43Å; G1078-R1082 PolarHBondContact O-N 3.02Å; G1078-R1082 VanDerWaalsContact O-N 3.1Å
1079L92Very high88Confident29 Ų2951.6 Ų51.615%0.15228%0.281CS..Hα-helixtrans-61.1-45.3-172.5176.761.3000113.1D1076 I1081 R1082 K1083 H1116 I1119D1076-L1079 HydrophobicContact CB-CB 4.14Å; D1076-L1079 WeakPolarHBondContact O-CB 3.12Å; D1076-L1079 PolarHBondContact O-N 3.4Å; D1076-L1079 VanDerWaalsContact O-N 3.14Å; D1076-L1079 PolarHBondContact OD1-N 2.86Å; L1079-I1081 VanDerWaalsContact C-N 3.28Å; L1079-I1081 PolarHBondContact O-N 3.1Å; L1079-R1082 PolarHBondContact O-N 2.83Å; L1079-K1083 WeakPolarHBondContact O-CG 3.31Å; L1079-K1083 PolarHBondContact O-N 3.22Å; L1079-H1116 HydrophobicContact CD1-CB 3.63Å; L1079-I1119 HydrophobicContact CD1-CD1 4.04Å
1080D90.6Very high88.8Confident101 Ų10151.2 Ų51.254%0.5426%0.26SS..Hα-helixtrans-67.1-30.5-177.7-69.1-33.2000112.7G1078 A1084G1078-D1080 PolarHBondContact O-N 3.43Å; D1080-A1084 PolarHBondContact O-N 3.38Å; D1080-A1084 VanDerWaalsContact O-N 3.15Å
1081I93.3Very high89.6Confident4 Ų446.1 Ų46.12%0.02123%0.226CC..Hα-helixtrans-68.9-46173.1-67173.8000110L1020 R1024 L1027 E1055 G1078 L1079 K1083 A1084 A1085L1020-I1081 HydrophobicContact CB-CD1 3.84Å; L1020-I1081 HydrophobicContact CD2-CD1 3.74Å; L1020-I1081 HydrophobicContact CG-CD1 4.32Å; L1020-I1081 WeakPolarHBondContact O-CD1 3.22Å; R1024-I1081 HydrophobicContact CB-CG1 3.95Å; R1024-I1081 HydrophobicContact CG-CG1 4.44Å; L1027-I1081 HydrophobicContact CD1-CG2 3.67Å; L1027-I1081 WeakPolarHBondContact CD1-O 3.32Å; E1055-I1081 HydrophobicContact CB-CG2 3.91Å; E1055-I1081 HydrophobicContact CG-CG2 4.22Å; E1055-I1081 VanDerWaalsContact OE2-CG2 3.27Å; E1055-I1081 WeakPolarHBondContact OE2-CG2 3.31Å; G1078-I1081 PolarHBondContact O-N 3.18Å; L1079-I1081 VanDerWaalsContact C-N 3.28Å; L1079-I1081 PolarHBondContact O-N 3.1Å; I1081-K1083 VanDerWaalsContact C-N 3.31Å; I1081-K1083 PolarHBondContact O-N 3.37Å; I1081-A1084 PolarHBondContact O-N 3.46Å; I1081-A1085 PolarHBondContact O-N 2.91Å
1082R94.6Very high90.8Very high8 Ų838.8 Ų38.83%0.0319%0.194CC..Hα-helixtrans-59.4-43.2177-65-155.1-58.5-76.16.1111.3E1055 T1056 D1076 G1078 L1079 A1084 A1085 F1086 D1115 I1119E1055-R1082 WeakPolarHBondContact O-CG 3.4Å; T1056-R1082 WeakPolarHBondContact O-CD 3.25Å; D1076-R1082 VanDerWaalsContact CG-NH1 3.33Å; D1076-R1082 IonicContact OD1-NH1 3.73Å; D1076-R1082 PolarHBondContact OD1-NH1 3.45Å; D1076-R1082 VanDerWaalsContact OD1-NH1 3.16Å; D1076-R1082 IonicContact OD2-CZ 2.69Å; D1076-R1082 IonicContact OD2-NH1 3Å; D1076-R1082 PolarHBondContact OD2-NH1 3.07Å; D1076-R1082 IonicContact OD2-NH2 2.91Å; D1076-R1082 PolarHBondContact OD2-NH2 2.92Å; G1078-R1082 WeakPolarHBondContact O-CG 3.43Å; G1078-R1082 PolarHBondContact O-N 3.02Å; G1078-R1082 VanDerWaalsContact O-N 3.1Å; L1079-R1082 PolarHBondContact O-N 2.83Å; R1082-A1084 PolarHBondContact O-N 2.97Å; R1082-A1085 WeakPolarHBondContact O-CB 3.49Å; R1082-A1085 PolarHBondContact O-N 2.69Å; R1082-F1086 VanDerWaalsContact O-CD2 3.28Å; R1082-F1086 WeakPolarHBondContact O-CD2 3.37Å; R1082-F1086 PolarHBondContact O-N 3.33Å; R1082-D1115 IonicContact CZ-OD1 2.77Å; R1082-D1115 IonicContact CZ-OD2 3.86Å; R1082-D1115 IonicContact NE-OD1 3.1Å; R1082-D1115 IonicContact NE-OD2 2.78Å; R1082-D1115 PolarHBondContact NE-OD2 3.41Å; R1082-D1115 IonicContact NH2-OD1 3.38Å; R1082-D1115 PolarHBondContact NH2-OD1 3.39Å; R1082-D1115 IonicContact NH2-OD2 2.86Å; R1082-I1119 HydrophobicContact CB-CD1 3.64Å
1083K93.9Very high91.3Very high46 Ų4632.5 Ų32.520%0.217%0.167CC..Hα-helixtrans-55.6-51.2174.2-71.3175.4-179.2-172.70111.8L1079 I1081 A1085 F1086 E1087 D1118 I1119L1079-K1083 WeakPolarHBondContact O-CG 3.31Å; L1079-K1083 PolarHBondContact O-N 3.22Å; I1081-K1083 VanDerWaalsContact C-N 3.31Å; I1081-K1083 PolarHBondContact O-N 3.37Å; K1083-A1085 VanDerWaalsContact C-N 3.27Å; K1083-A1085 PolarHBondContact O-N 2.76Å; K1083-F1086 PolarHBondContact O-N 3.02Å; K1083-E1087 WeakPolarHBondContact O-CG 3.47Å; K1083-E1087 PolarHBondContact O-N 3.33Å; K1083-D1118 HydrophobicContact CD-CB 4.32Å; K1083-D1118 WeakPolarHBondContact CE-OD2 3.46Å; K1083-D1118 HydrophobicContact CG-CB 4.42Å; K1083-D1118 IonicContact NZ-OD2 3.01Å; K1083-D1118 PolarHBondContact NZ-OD2 2.93Å; K1083-I1119 HydrophobicContact CG-CG1 4.22Å
1084A93.5Very high91.3Very high6 Ų632.1 Ų32.15%0.0517%0.168CC..Hα-helixtrans-61.5-35.3178.200000112.6L1027 V1028 D1080 I1081 R1082 C1088L1027-A1084 HydrophobicContact CB-CB 3.89Å; L1027-A1084 HydrophobicContact CD1-CB 4.14Å; V1028-A1084 HydrophobicContact CG2-CB 4.3Å; D1080-A1084 PolarHBondContact O-N 3.38Å; D1080-A1084 VanDerWaalsContact O-N 3.15Å; I1081-A1084 PolarHBondContact O-N 3.46Å; R1082-A1084 PolarHBondContact O-N 2.97Å; A1084-C1088 WeakPolarHBondContact O-CB 3.48Å; A1084-C1088 PolarHBondContact O-N 3.45Å
1085A95.7Very high91.3Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-67-46.8175.900000111.9L1027 L1052 E1055 T1056 I1081 R1082 K1083 C1088 M1089L1027-A1085 HydrophobicContact CD1-CB 4.08Å; L1027-A1085 HydrophobicContact CD2-CB 4.38Å; L1052-A1085 HydrophobicContact CD1-CB 3.9Å; E1055-A1085 HydrophobicContact CB-CB 4.3Å; T1056-A1085 HydrophobicContact CG2-CB 3.95Å; I1081-A1085 PolarHBondContact O-N 2.91Å; R1082-A1085 WeakPolarHBondContact O-CB 3.49Å; R1082-A1085 PolarHBondContact O-N 2.69Å; K1083-A1085 VanDerWaalsContact C-N 3.27Å; K1083-A1085 PolarHBondContact O-N 2.76Å; A1085-C1088 WeakPolarHBondContact O-CB 3.47Å; A1085-C1088 PolarHBondContact O-N 3.44Å; A1085-M1089 WeakPolarHBondContact O-CG 3.3Å; A1085-M1089 PolarHBondContact O-N 3.28Å
1086F95.8Very high91.2Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-66.3-37.4176-81.7-77.3000112.4T1056 R1082 K1083 C1088 M1089 Y1090 H1108 G1112 I1119 L1122 T1123 M1126T1056-F1086 HydrophobicContact CG2-CE2 4.31Å; T1056-F1086 HydrophobicContact CG2-CZ 4.39Å; R1082-F1086 VanDerWaalsContact O-CD2 3.28Å; R1082-F1086 WeakPolarHBondContact O-CD2 3.37Å; R1082-F1086 PolarHBondContact O-N 3.33Å; K1083-F1086 PolarHBondContact O-N 3.02Å; F1086-C1088 VanDerWaalsContact C-N 3.33Å; F1086-C1088 PolarHBondContact O-N 2.97Å; F1086-M1089 HydrophobicContact CD1-SD 4.18Å; F1086-M1089 HydrophobicContact CE1-SD 4.33Å; F1086-M1089 PolarHBondContact O-N 2.93Å; F1086-Y1090 PolarHBondContact O-N 2.92Å; F1086-H1108 WeakPolarHBondContact CE1-O 3.49Å; F1086-H1108 WeakPolarHBondContact CZ-O 3.34Å; F1086-G1112 VanDerWaalsContact CZ-CA 3.47Å; F1086-I1119 HydrophobicContact CD1-CG2 4.25Å; F1086-I1119 HydrophobicContact CD2-CB 4.34Å; F1086-I1119 HydrophobicContact CD2-CD1 4.22Å; F1086-I1119 HydrophobicContact CD2-CG1 4.07Å; F1086-I1119 HydrophobicContact CD2-CG2 3.41Å; F1086-I1119 VanDerWaalsContact CD2-CG2 3.41Å; F1086-I1119 HydrophobicContact CE1-CG2 4.24Å; F1086-I1119 HydrophobicContact CE2-CD1 4.39Å; F1086-I1119 HydrophobicContact CE2-CG2 3.4Å; F1086-I1119 VanDerWaalsContact CE2-CG2 3.4Å; F1086-I1119 HydrophobicContact CG-CG2 3.88Å; F1086-I1119 HydrophobicContact CZ-CG2 3.84Å; F1086-L1122 HydrophobicContact CB-CD1 4.01Å; F1086-T1123 HydrophobicContact CD1-CG2 3.78Å; F1086-T1123 HydrophobicContact CE1-CG2 3.62Å; F1086-T1123 HydrophobicContact CZ-CG2 4.48Å; F1086-M1126 HydrophobicContact CB-CE 4.26Å; F1086-M1126 HydrophobicContact CD1-CE 4.02Å; F1086-M1126 HydrophobicContact CD1-SD 4.36Å; F1086-M1126 WeakPolarHBondContact O-CE 3.5Å
1087E93.9Very high90.9Very high84 Ų8428 Ų2839%0.39314%0.144SC..Hα-helixtrans-60.2-43.6172-74.1175-173.500111.6K1083 Y1090 T1091 L1122K1083-E1087 WeakPolarHBondContact O-CG 3.47Å; K1083-E1087 PolarHBondContact O-N 3.33Å; E1087-Y1090 WeakPolarHBondContact O-CB 3.4Å; E1087-Y1090 PolarHBondContact O-N 3.04Å; E1087-T1091 PolarHBondContact O-N 3.2Å; E1087-T1091 VanDerWaalsContact O-N 3.1Å; E1087-T1091 PolarHBondContact O-OG1 3.04Å; E1087-L1122 HydrophobicContact CG-CD1 3.75Å; E1087-L1122 HydrophobicContact CG-CD2 4.27Å
1088C94.1Very high90.2Very high0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-63.1-44.3176-168.80000111.9F1030 N1031 L1052 A1084 A1085 F1086 Y1090 T1091 L1092F1030-C1088 WeakPolarHBondContact CD1-SG 3.48Å; N1031-C1088 HydrophobicContact CB-CB 4Å; L1052-C1088 HydrophobicContact CD1-CB 3.93Å; A1084-C1088 WeakPolarHBondContact O-CB 3.48Å; A1084-C1088 PolarHBondContact O-N 3.45Å; A1085-C1088 WeakPolarHBondContact O-CB 3.47Å; A1085-C1088 PolarHBondContact O-N 3.44Å; F1086-C1088 VanDerWaalsContact C-N 3.33Å; F1086-C1088 PolarHBondContact O-N 2.97Å; C1088-Y1090 VanDerWaalsContact C-N 3.25Å; C1088-Y1090 PolarHBondContact O-N 3.1Å; C1088-T1091 PolarHBondContact O-N 3.1Å; C1088-L1092 WeakPolarHBondContact O-CG 3.27Å; C1088-L1092 PolarHBondContact O-N 3.29Å
1089M94.6Very high89.8Confident0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-56.8-39.3173-76.6179.266.400112.2L1052 Y1053 T1056 A1085 F1086 L1092 L1093 F1105 H1108 V1109 M1126L1052-M1089 HydrophobicContact CD2-CG 3.88Å; L1052-M1089 HydrophobicContact CG-CG 4.37Å; Y1053-M1089 HydrophobicContact CD1-SD 4.32Å; Y1053-M1089 HydrophobicContact CE1-CE 4.21Å; Y1053-M1089 HydrophobicContact CE1-CG 4.45Å; Y1053-M1089 HydrophobicContact CE1-SD 4.35Å; T1056-M1089 HydrophobicContact CG2-SD 3.64Å; A1085-M1089 WeakPolarHBondContact O-CG 3.3Å; A1085-M1089 PolarHBondContact O-N 3.28Å; F1086-M1089 HydrophobicContact CD1-SD 4.18Å; F1086-M1089 HydrophobicContact CE1-SD 4.33Å; F1086-M1089 PolarHBondContact O-N 2.93Å; M1089-L1092 PolarHBondContact O-N 3.38Å; M1089-L1093 PolarHBondContact O-N 3.1Å; M1089-F1105 HydrophobicContact CB-CE2 3.79Å; M1089-F1105 HydrophobicContact CB-CZ 3.83Å; M1089-F1105 HydrophobicContact CE-CD1 4.06Å; M1089-F1105 HydrophobicContact CE-CD2 3.77Å; M1089-F1105 HydrophobicContact CE-CE1 3.84Å; M1089-F1105 HydrophobicContact CE-CE2 3.56Å; M1089-F1105 HydrophobicContact CE-CG 4.02Å; M1089-F1105 HydrophobicContact CE-CZ 3.59Å; M1089-F1105 HydrophobicContact CG-CE2 4.07Å; M1089-F1105 HydrophobicContact CG-CZ 4.47Å; M1089-F1105 WeakPolarHBondContact O-CZ 3.25Å; M1089-H1108 HydrophobicContact CE-CB 3.68Å; M1089-H1108 HydrophobicContact SD-CB 4.2Å; M1089-V1109 HydrophobicContact CE-CG2 4.35Å; M1089-M1126 HydrophobicContact CB-CE 3.66Å
1090Y93.6Very high89.5Confident58 Ų5829.3 Ų29.323%0.22715%0.146CC..Hα-helixtrans-65.8-42.9-179.7178.7-98.5000111.1F1086 E1087 C1088 L1093 L1125 M1126 R1129F1086-Y1090 PolarHBondContact O-N 2.92Å; E1087-Y1090 WeakPolarHBondContact O-CB 3.4Å; E1087-Y1090 PolarHBondContact O-N 3.04Å; C1088-Y1090 VanDerWaalsContact C-N 3.25Å; C1088-Y1090 PolarHBondContact O-N 3.1Å; Y1090-L1093 PolarHBondContact O-N 3.19Å; Y1090-L1125 HydrophobicContact CD2-CB 4.36Å; Y1090-L1125 HydrophobicContact CE2-CB 3.74Å; Y1090-M1126 HydrophobicContact CD2-CG 3.8Å; Y1090-R1129 VanDerWaalsContact CE1-NH1 3.31Å; Y1090-R1129 VanDerWaalsContact OH-CZ 3.26Å; Y1090-R1129 PolarHBondContact OH-NE 2.61Å; Y1090-R1129 PolarHBondContact OH-NH1 3.29Å
1091T91.3Very high89.3Confident16 Ų1628.7 Ų28.710%0.09814%0.143CC..Hα-helixtrans-64-41.6175.2-57.50000112.1N1031 A1034 H1035 E1087 C1088 L1093 D1094 S1095N1031-T1091 WeakPolarHBondContact OD1-CB 3.45Å; N1031-T1091 PolarHBondContact OD1-OG1 2.8Å; A1034-T1091 HydrophobicContact CB-CG2 3.78Å; H1035-T1091 HydrophobicContact CB-CG2 3.68Å; E1087-T1091 PolarHBondContact O-N 3.2Å; E1087-T1091 VanDerWaalsContact O-N 3.1Å; E1087-T1091 PolarHBondContact O-OG1 3.04Å; C1088-T1091 PolarHBondContact O-N 3.1Å; T1091-L1093 PolarHBondContact O-N 3.35Å; T1091-D1094 PolarHBondContact O-N 2.96Å; T1091-S1095 PolarHBondContact O-N 2.82Å; T1091-S1095 PolarHBondContact O-OG 3.37Å
1092L91.4Very high89Confident0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-62.9-26.1-179.7-73.6170.3000113.4F1030 A1034 I1041 L1045 L1049 L1052 C1088 M1089 D1094 C1096 L1097 L1100F1030-L1092 HydrophobicContact CE1-CD1 4.4Å; F1030-L1092 HydrophobicContact CZ-CD1 4.19Å; F1030-L1092 HydrophobicContact CZ-CD2 4.5Å; A1034-L1092 HydrophobicContact CB-CD2 3.97Å; A1034-L1092 HydrophobicContact CB-CG 4.44Å; I1041-L1092 HydrophobicContact CD1-CD2 4.19Å; L1045-L1092 HydrophobicContact CD2-CD2 3.98Å; L1049-L1092 HydrophobicContact CD2-CD1 3.99Å; L1052-L1092 HydrophobicContact CD2-CD1 3.68Å; C1088-L1092 WeakPolarHBondContact O-CG 3.27Å; C1088-L1092 PolarHBondContact O-N 3.29Å; M1089-L1092 PolarHBondContact O-N 3.38Å; L1092-D1094 VanDerWaalsContact C-N 3.25Å; L1092-D1094 PolarHBondContact O-N 3.3Å; L1092-C1096 HydrophobicContact CD2-CB 3.86Å; L1092-C1096 CarbonylContact O-C 3.6Å; L1092-C1096 WeakPolarHBondContact O-CA 3.41Å; L1092-C1096 PolarHBondContact O-N 2.95Å; L1092-L1097 PolarHBondContact O-N 2.79Å; L1092-L1100 HydrophobicContact CB-CD1 4.25Å; L1092-L1100 HydrophobicContact CB-CD2 4.49Å
1093L87.6Confident88.5Confident2 Ų230.3 Ų30.31%0.0115%0.15CC..Hα-helixtrans-63.1-31173.6-72.5173.5000112.8M1089 Y1090 T1091 L1097 L1100 F1105 M1126 L1130M1089-L1093 PolarHBondContact O-N 3.1Å; Y1090-L1093 PolarHBondContact O-N 3.19Å; T1091-L1093 PolarHBondContact O-N 3.35Å; L1093-L1097 HydrophobicContact CD2-CD1 4.04Å; L1093-L1100 HydrophobicContact CD2-CD1 4.29Å; L1093-F1105 HydrophobicContact CD1-CE1 3.88Å; L1093-F1105 HydrophobicContact CD1-CZ 3.74Å; L1093-F1105 HydrophobicContact CD2-CD1 4.32Å; L1093-F1105 HydrophobicContact CD2-CE1 3.77Å; L1093-F1105 HydrophobicContact CD2-CE2 4.11Å; L1093-F1105 HydrophobicContact CD2-CZ 3.65Å; L1093-F1105 HydrophobicContact CG-CE1 4Å; L1093-F1105 HydrophobicContact CG-CE2 4.18Å; L1093-F1105 HydrophobicContact CG-CZ 3.53Å; L1093-M1126 HydrophobicContact CD1-CB 4.08Å; L1093-M1126 HydrophobicContact CD1-CG 4.01Å; L1093-L1130 HydrophobicContact CD1-CG 4.22Å; L1093-L1130 HydrophobicContact CD2-CD2 3.71Å; L1093-L1130 HydrophobicContact CD2-CG 4.31Å
1094D82.2Confident88.3Confident97 Ų9732 Ų3252%0.51916%0.159SC..Hα-helixtrans-85.7-39.5177.7-72.5-15000112.1T1091 L1092 R1129T1091-D1094 PolarHBondContact O-N 2.96Å; L1092-D1094 VanDerWaalsContact C-N 3.25Å; L1092-D1094 PolarHBondContact O-N 3.3Å; D1094-R1129 VanDerWaalsContact CG-CZ 3.41Å; D1094-R1129 VanDerWaalsContact CG-NH2 3.35Å; D1094-R1129 IonicContact OD1-CZ 3.82Å; D1094-R1129 IonicContact OD1-NE 3.82Å; D1094-R1129 IonicContact OD1-NH1 3.35Å; D1094-R1129 PolarHBondContact OD1-NH1 2.71Å; D1094-R1129 IonicContact OD1-NH2 3.38Å; D1094-R1129 PolarHBondContact OD1-NH2 2.92Å; D1094-R1129 VanDerWaalsContact OD1-NH2 3.17Å; D1094-R1129 IonicContact OD2-CZ 2.81Å; D1094-R1129 IonicContact OD2-NH1 2.93Å; D1094-R1129 PolarHBondContact OD2-NH1 3.28Å; D1094-R1129 IonicContact OD2-NH2 3.76Å; D1094-R1129 PolarHBondContact OD2-NH2 3.47Å
1095S83.1Confident88.2Confident28 Ų2831.7 Ų31.720%0.19616%0.156CC..Hα-helixtrans-99.3-23.1-16757.80000115.3A1034 T1091A1034-S1095 WeakPolarHBondContact O-CB 3.41Å; A1034-S1095 PolarHBondContact O-OG 3.48Å; T1091-S1095 PolarHBondContact O-N 2.82Å; T1091-S1095 PolarHBondContact O-OG 3.37Å
1096C83.9Confident87.9Confident0 Ų031.8 Ų31.80%016%0.157CC..  trans-142.725-168.6-69.50000114.3L1045 L1092 D1098 R1099L1045-C1096 HydrophobicContact CD1-CB 3.68Å; L1092-C1096 HydrophobicContact CD2-CB 3.86Å; L1092-C1096 CarbonylContact O-C 3.6Å; L1092-C1096 WeakPolarHBondContact O-CA 3.41Å; L1092-C1096 PolarHBondContact O-N 2.95Å; C1096-D1098 PolarHBondContact O-N 2.86Å; C1096-D1098 VanDerWaalsContact O-N 3.12Å; C1096-R1099 PolarHBondContact O-N 2.6Å
1097L83.5Confident87.7Confident38 Ų3834.8 Ų34.820%0.19917%0.173CC..G310 helixtrans-50-41.4-174-176.366.8000114L1092 L1093 R1099 L1100 I1102 L1133L1092-L1097 PolarHBondContact O-N 2.79Å; L1093-L1097 HydrophobicContact CD2-CD1 4.04Å; L1097-R1099 PolarHBondContact O-N 3.42Å; L1097-L1100 PolarHBondContact O-N 3.26Å; L1097-L1100 VanDerWaalsContact O-N 3.12Å; L1097-I1102 HydrophobicContact CD1-CD1 3.56Å; L1097-I1102 HydrophobicContact CG-CD1 4.44Å; L1097-L1133 HydrophobicContact CD2-CB 4.12Å; L1097-L1133 HydrophobicContact CD2-CD1 4.4Å; L1097-L1133 HydrophobicContact CD2-CD2 4.42Å
1098D76.1Confident87.7Confident57 Ų5731.4 Ų31.431%0.30516%0.157SC..G310 helixtrans-74-4.2-175.965.9-37.5000114.6R1042 C1096R1042-D1098 IonicContact CZ-OD1 3.54Å; R1042-D1098 VanDerWaalsContact CZ-OD1 3.26Å; R1042-D1098 IonicContact CZ-OD2 3.44Å; R1042-D1098 IonicContact NH1-OD1 2.88Å; R1042-D1098 PolarHBondContact NH1-OD1 2.79Å; R1042-D1098 IonicContact NH1-OD2 3.16Å; R1042-D1098 IonicContact NH2-OD1 3.9Å; R1042-D1098 PolarHBondContact NH2-OD1 3.13Å; R1042-D1098 IonicContact NH2-OD2 3.38Å; R1042-D1098 PolarHBondContact NH2-OD2 3.11Å; C1096-D1098 PolarHBondContact O-N 2.86Å; C1096-D1098 VanDerWaalsContact O-N 3.12Å
1099R82.2Confident87.7Confident63 Ų6331.4 Ų31.424%0.23816%0.157CC..G310 helixtrans-106.33.2171.3-64.2-65.6-67.1-975112.9R1042 D1043 L1045 D1046 C1096 L1097R1042-R1099 HydrophobicContact CG-CG 4.25Å; R1042-R1099 PolarHBondContact O-NH1 3.48Å; D1043-R1099 IonicContact OD1-NH1 2.79Å; L1045-R1099 HydrophobicContact CD1-CB 3.58Å; L1045-R1099 HydrophobicContact CD1-CG 4.11Å; D1046-R1099 IonicContact OD1-NH2 2.94Å; D1046-R1099 IonicContact OD2-CZ 3.82Å; D1046-R1099 IonicContact OD2-NH2 3.29Å; D1046-R1099 PolarHBondContact OD2-NH2 3.32Å; C1096-R1099 PolarHBondContact O-N 2.6Å; L1097-R1099 PolarHBondContact O-N 3.42Å
1100L85.5Confident87.6Confident7 Ų733 Ų334%0.03717%0.165CC..SBendtrans-99.8131.8-178.7-54.9-180000110.8L1049 L1092 L1093 L1097 I1102 F1105L1049-L1100 HydrophobicContact CD1-CD2 3.88Å; L1049-L1100 HydrophobicContact CD2-CD2 3.82Å; L1092-L1100 HydrophobicContact CB-CD1 4.25Å; L1092-L1100 HydrophobicContact CB-CD2 4.49Å; L1093-L1100 HydrophobicContact CD2-CD1 4.29Å; L1097-L1100 PolarHBondContact O-N 3.26Å; L1097-L1100 VanDerWaalsContact O-N 3.12Å; L1100-I1102 HydrophobicContact CB-CD1 4.27Å; L1100-I1102 PolarHBondContact O-N 3.08Å; L1100-I1102 VanDerWaalsContact O-N 3.11Å; L1100-F1105 HydrophobicContact CD1-CD2 3.97Å; L1100-F1105 HydrophobicContact CD1-CE2 4.06Å
1101D85.9Confident87.6Confident89 Ų8934.3 Ų34.348%0.47618%0.175SC..  trans-70.8104.3159.2-177.8-24000108.5F1103 E1104 F1105D1101-F1103 PolarHBondContact O-N 2.67Å; D1101-F1103 WeakPolarHBondContact OD1-CB 3.44Å; D1101-F1103 PolarHBondContact OD1-N 3.43Å; D1101-E1104 HydrophobicContact CB-CB 4.02Å; D1101-E1104 PolarHBondContact O-N 2.92Å; D1101-E1104 PolarHBondContact OD1-N 2.9Å; D1101-E1104 VanDerWaalsContact OD1-N 3.15Å; D1101-F1105 WeakPolarHBondContact O-CB 3.49Å; D1101-F1105 PolarHBondContact O-N 3.47Å
1102I87Confident87.7Confident12 Ų1233.5 Ų33.56%0.06217%0.171CC..Hα-helixtrans-60.3-32.4-177.4-56.8-56.1000112.2L1097 L1100 L1106 C1134 A1137L1097-I1102 HydrophobicContact CD1-CD1 3.56Å; L1097-I1102 HydrophobicContact CG-CD1 4.44Å; L1100-I1102 HydrophobicContact CB-CD1 4.27Å; L1100-I1102 PolarHBondContact O-N 3.08Å; L1100-I1102 VanDerWaalsContact O-N 3.11Å; I1102-L1106 HydrophobicContact CG2-CD1 4.04Å; I1102-L1106 HydrophobicContact CG2-CG 4.38Å; I1102-L1106 WeakPolarHBondContact O-CB 3.33Å; I1102-L1106 WeakPolarHBondContact O-CG 3.3Å; I1102-L1106 PolarHBondContact O-N 3.12Å; I1102-C1134 HydrophobicContact CG2-CB 4.1Å; I1102-A1137 HydrophobicContact CG2-CB 3.72Å
1103F84.7Confident87.7Confident34 Ų3433.6 Ų33.615%0.14917%0.171CC..Hα-helixtrans-76.6-35.3180-69.8-72000112.3P287 K288 D1101 N1107 A1137P287-F1103 HydrophobicContact CG-CE2 4.49Å; P287-F1103 HydrophobicContact CG-CZ 3.95Å; K288-F1103 HydrophobicContact CB-CE2 4.39Å; D1101-F1103 PolarHBondContact O-N 2.67Å; D1101-F1103 WeakPolarHBondContact OD1-CB 3.44Å; D1101-F1103 PolarHBondContact OD1-N 3.43Å; F1103-N1107 VanDerWaalsContact O-CG 3.29Å; F1103-N1107 PolarHBondContact O-N 3.08Å; F1103-N1107 PolarHBondContact O-ND2 2.91Å; F1103-N1107 PolarHBondContact O-OD1 2.92Å; F1103-A1137 HydrophobicContact CE1-CB 4.28Å; F1103-A1137 HydrophobicContact CZ-CB 4.26Å
1104E88.7Confident88Confident80 Ų8038.8 Ų38.837%0.37419%0.193SC..Hα-helixtrans-65.8-47.5170.3-171.7173.6-163.600110.5Y1053 D1101 L1106 N1107 H1108Y1053-E1104 HydrophobicContact CD2-CG 4.04Å; Y1053-E1104 HydrophobicContact CE2-CB 4.49Å; Y1053-E1104 HydrophobicContact CE2-CG 3.81Å; D1101-E1104 HydrophobicContact CB-CB 4.02Å; D1101-E1104 PolarHBondContact O-N 2.92Å; D1101-E1104 PolarHBondContact OD1-N 2.9Å; D1101-E1104 VanDerWaalsContact OD1-N 3.15Å; E1104-L1106 VanDerWaalsContact C-N 3.3Å; E1104-L1106 PolarHBondContact O-N 3.34Å; E1104-N1107 WeakPolarHBondContact O-CB 3.24Å; E1104-N1107 PolarHBondContact O-N 3.34Å; E1104-H1108 PolarHBondContact O-CD2 3.42Å; E1104-H1108 VanDerWaalsContact O-CD2 3.31Å; E1104-H1108 PolarHBondContact O-N 3.31Å
1105F91.5Very high88.4Confident0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-54.2-45.9176.4-168.5-79.5000111.8Y1053 M1089 L1093 L1100 D1101 N1107 H1108 V1109 M1126 L1130Y1053-F1105 HydrophobicContact CE1-CD2 4.3Å; M1089-F1105 HydrophobicContact CB-CE2 3.79Å; M1089-F1105 HydrophobicContact CB-CZ 3.83Å; M1089-F1105 HydrophobicContact CE-CD1 4.06Å; M1089-F1105 HydrophobicContact CE-CD2 3.77Å; M1089-F1105 HydrophobicContact CE-CE1 3.84Å; M1089-F1105 HydrophobicContact CE-CE2 3.56Å; M1089-F1105 HydrophobicContact CE-CG 4.02Å; M1089-F1105 HydrophobicContact CE-CZ 3.59Å; M1089-F1105 HydrophobicContact CG-CE2 4.07Å; M1089-F1105 HydrophobicContact CG-CZ 4.47Å; M1089-F1105 WeakPolarHBondContact O-CZ 3.25Å; L1093-F1105 HydrophobicContact CD1-CE1 3.88Å; L1093-F1105 HydrophobicContact CD1-CZ 3.74Å; L1093-F1105 HydrophobicContact CD2-CD1 4.32Å; L1093-F1105 HydrophobicContact CD2-CE1 3.77Å; L1093-F1105 HydrophobicContact CD2-CE2 4.11Å; L1093-F1105 HydrophobicContact CD2-CZ 3.65Å; L1093-F1105 HydrophobicContact CG-CE1 4Å; L1093-F1105 HydrophobicContact CG-CE2 4.18Å; L1093-F1105 HydrophobicContact CG-CZ 3.53Å; L1100-F1105 HydrophobicContact CD1-CD2 3.97Å; L1100-F1105 HydrophobicContact CD1-CE2 4.06Å; D1101-F1105 WeakPolarHBondContact O-CB 3.49Å; D1101-F1105 PolarHBondContact O-N 3.47Å; F1105-N1107 VanDerWaalsContact C-N 3.28Å; F1105-N1107 PolarHBondContact O-N 3.4Å; F1105-H1108 PolarHBondContact O-N 3.17Å; F1105-H1108 VanDerWaalsContact O-N 3.15Å; F1105-V1109 HydrophobicContact CD1-CG2 3.66Å; F1105-V1109 HydrophobicContact CE1-CG2 3.49Å; F1105-V1109 VanDerWaalsContact CE1-CG2 3.49Å; F1105-V1109 WeakPolarHBondContact O-CG2 3.5Å; F1105-V1109 PolarHBondContact O-N 3.35Å; F1105-M1126 HydrophobicContact CE1-SD 4.31Å; F1105-M1126 HydrophobicContact CZ-SD 4.34Å; F1105-L1130 HydrophobicContact CD1-CD1 4.28Å; F1105-L1130 HydrophobicContact CE1-CD1 4.12Å
1106L90.2Very high88.8Confident2 Ų237.6 Ų37.61%0.0118%0.183CC..Hα-helixtrans-62.1-30.3177.6-79.5170000113.4I1102 E1104 V1109 E1110 L1130 A1137 V1138 R1141 L1145I1102-L1106 HydrophobicContact CG2-CD1 4.04Å; I1102-L1106 HydrophobicContact CG2-CG 4.38Å; I1102-L1106 WeakPolarHBondContact O-CB 3.33Å; I1102-L1106 WeakPolarHBondContact O-CG 3.3Å; I1102-L1106 PolarHBondContact O-N 3.12Å; E1104-L1106 VanDerWaalsContact C-N 3.3Å; E1104-L1106 PolarHBondContact O-N 3.34Å; L1106-V1109 PolarHBondContact O-N 2.92Å; L1106-E1110 WeakPolarHBondContact O-CB 3.46Å; L1106-E1110 PolarHBondContact O-N 3.44Å; L1106-L1130 HydrophobicContact CD2-CD1 3.9Å; L1106-A1137 HydrophobicContact CD1-CB 4.21Å; L1106-V1138 HydrophobicContact CD2-CG2 4.49Å; L1106-R1141 HydrophobicContact CD1-CG 4.08Å; L1106-L1145 HydrophobicContact CD2-CD1 4.5Å
1107N91.4Very high89.1Confident64 Ų6439.3 Ų39.334%0.34219%0.189SC..Hα-helixtrans-64.7-42.7174.8-61.6-36.2000110.8F1103 E1104 F1105 E1110 D1111F1103-N1107 VanDerWaalsContact O-CG 3.29Å; F1103-N1107 PolarHBondContact O-N 3.08Å; F1103-N1107 PolarHBondContact O-ND2 2.91Å; F1103-N1107 PolarHBondContact O-OD1 2.92Å; E1104-N1107 WeakPolarHBondContact O-CB 3.24Å; E1104-N1107 PolarHBondContact O-N 3.34Å; F1105-N1107 VanDerWaalsContact C-N 3.28Å; F1105-N1107 PolarHBondContact O-N 3.4Å; N1107-E1110 WeakPolarHBondContact O-CB 3.49Å; N1107-E1110 PolarHBondContact O-N 3.35Å; N1107-D1111 PolarHBondContact O-N 3.13Å; N1107-D1111 VanDerWaalsContact O-N 3.13Å
1108H93.8Very high89.4Confident13 Ų1340.1 Ų40.16%0.0619%0.194CC..Hα-helixtrans-68.6-36177.5-70.6-73.9000112.3Y1053 T1056 F1086 M1089 E1104 F1105 D1111 G1112Y1053-H1108 WeakPolarHBondContact CB-NE2 3.32Å; Y1053-H1108 AromaticContact CD1-CD2 3.64Å; Y1053-H1108 AromaticContact CD2-NE2 3.98Å; Y1053-H1108 AromaticContact CG-CD2 3.64Å; Y1053-H1108 AromaticContact CG-NE2 3.53Å; Y1053-H1108 PolarHBondContact O-CE1 2.96Å; Y1053-H1108 VanDerWaalsContact O-CE1 3.31Å; T1056-H1108 PolarHBondContact OG1-ND1 2.99Å; F1086-H1108 WeakPolarHBondContact CE1-O 3.49Å; F1086-H1108 WeakPolarHBondContact CZ-O 3.34Å; M1089-H1108 HydrophobicContact CE-CB 3.68Å; M1089-H1108 HydrophobicContact SD-CB 4.2Å; E1104-H1108 PolarHBondContact O-CD2 3.42Å; E1104-H1108 VanDerWaalsContact O-CD2 3.31Å; E1104-H1108 PolarHBondContact O-N 3.31Å; F1105-H1108 PolarHBondContact O-N 3.17Å; F1105-H1108 VanDerWaalsContact O-N 3.15Å; H1108-D1111 PolarHBondContact O-N 3.3Å; H1108-G1112 PolarHBondContact O-N 2.91Å
1109V93.9Very high90.3Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-62.2-45170.51760000110.7M1089 F1105 L1106 D1111 G1112 L1113 T1123 M1126 L1127 L1130M1089-V1109 HydrophobicContact CE-CG2 4.35Å; F1105-V1109 HydrophobicContact CD1-CG2 3.66Å; F1105-V1109 HydrophobicContact CE1-CG2 3.49Å; F1105-V1109 VanDerWaalsContact CE1-CG2 3.49Å; F1105-V1109 WeakPolarHBondContact O-CG2 3.5Å; F1105-V1109 PolarHBondContact O-N 3.35Å; L1106-V1109 PolarHBondContact O-N 2.92Å; V1109-D1111 VanDerWaalsContact C-N 3.27Å; V1109-D1111 PolarHBondContact O-N 3.09Å; V1109-G1112 PolarHBondContact O-N 3.34Å; V1109-G1112 VanDerWaalsContact O-N 3.16Å; V1109-L1113 HydrophobicContact CG1-CD1 4.49Å; V1109-L1113 HydrophobicContact CG1-CG 4.49Å; V1109-L1113 VanDerWaalsContact O-CG 3.32Å; V1109-L1113 WeakPolarHBondContact O-CG 3.36Å; V1109-L1113 PolarHBondContact O-N 3.11Å; V1109-T1123 HydrophobicContact CG1-CG2 4.39Å; V1109-M1126 HydrophobicContact CG2-SD 3.92Å; V1109-L1127 HydrophobicContact CG1-CD2 3.93Å; V1109-L1127 HydrophobicContact CG1-CG 4.12Å; V1109-L1130 HydrophobicContact CG2-CD1 4.29Å
1110E92.7Very high90.9Very high33 Ų3336.6 Ų36.615%0.15418%0.177CC..Hα-helixtrans-56.8-41.1178.1-163.5-163.1132.100112.1L1106 N1107 K1114 R1144L1106-E1110 WeakPolarHBondContact O-CB 3.46Å; L1106-E1110 PolarHBondContact O-N 3.44Å; N1107-E1110 WeakPolarHBondContact O-CB 3.49Å; N1107-E1110 PolarHBondContact O-N 3.35Å; E1110-K1114 WeakPolarHBondContact O-CE 3.35Å; E1110-K1114 IonicContact OE1-NZ 3.26Å; E1110-K1114 PolarHBondContact OE1-NZ 3.08Å; E1110-R1144 HydrophobicContact CG-CB 4.5Å; E1110-R1144 WeakPolarHBondContact OE2-CD 3.27Å
1111D92.3Very high91.2Very high85 Ų8537.8 Ų37.846%0.45518%0.183SC..Hα-helixtrans-70.3-41.7176.6-73.8-20000112N1107 H1108 V1109 L1113 K1114N1107-D1111 PolarHBondContact O-N 3.13Å; N1107-D1111 VanDerWaalsContact O-N 3.13Å; H1108-D1111 PolarHBondContact O-N 3.3Å; V1109-D1111 VanDerWaalsContact C-N 3.27Å; V1109-D1111 PolarHBondContact O-N 3.09Å; D1111-L1113 VanDerWaalsContact C-N 3.3Å; D1111-L1113 PolarHBondContact O-N 2.88Å; D1111-K1114 WeakPolarHBondContact O-CB 3.24Å; D1111-K1114 PolarHBondContact O-N 3.48Å
1112G93.3Very high91.5Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-64.7-30.2177.500000113.9F1086 H1108 V1109 K1114 D1115F1086-G1112 VanDerWaalsContact CZ-CA 3.47Å; H1108-G1112 PolarHBondContact O-N 2.91Å; V1109-G1112 PolarHBondContact O-N 3.34Å; V1109-G1112 VanDerWaalsContact O-N 3.16Å; G1112-K1114 PolarHBondContact O-N 3.19Å; G1112-K1114 VanDerWaalsContact O-N 3.1Å; G1112-D1115 PolarHBondContact O-N 3.25Å; G1112-D1115 VanDerWaalsContact O-N 3.14Å
1113L93.1Very high91.9Very high1 Ų134.4 Ų34.41%0.00517%0.165CC..THydrogen-bonded Turntrans-61.9-17.4172.5-67.1167.4000112.9V1109 D1111 K1120 F1124 L1127 L1145 P1148V1109-L1113 HydrophobicContact CG1-CD1 4.49Å; V1109-L1113 HydrophobicContact CG1-CG 4.49Å; V1109-L1113 VanDerWaalsContact O-CG 3.32Å; V1109-L1113 WeakPolarHBondContact O-CG 3.36Å; V1109-L1113 PolarHBondContact O-N 3.11Å; D1111-L1113 VanDerWaalsContact C-N 3.3Å; D1111-L1113 PolarHBondContact O-N 2.88Å; L1113-K1120 WeakPolarHBondContact O-CE 3.3Å; L1113-F1124 HydrophobicContact CD2-CD1 3.47Å; L1113-F1124 VanDerWaalsContact CD2-CD1 3.47Å; L1113-F1124 HydrophobicContact CD2-CE1 3.48Å; L1113-F1124 VanDerWaalsContact CD2-CE1 3.48Å; L1113-L1127 HydrophobicContact CD1-CD1 3.88Å; L1113-L1127 HydrophobicContact CD2-CD1 3.68Å; L1113-L1127 HydrophobicContact CD2-CG 4.42Å; L1113-L1127 HydrophobicContact CG-CD1 4.38Å; L1113-L1145 HydrophobicContact CD1-CD2 3.85Å; L1113-P1148 HydrophobicContact CB-CB 3.62Å; L1113-P1148 HydrophobicContact CB-CG 4.2Å; L1113-P1148 HydrophobicContact CD1-CB 4.32Å; L1113-P1148 HydrophobicContact CD1-CG 4.42Å
1114K92.4Very high92.4Very high111 Ų11132.9 Ų32.948%0.48316%0.158SC..THydrogen-bonded Turntrans-102.3-6.4-179-57.7166.3-165.8159.30112.7E1110 D1111 G1112 P1148E1110-K1114 WeakPolarHBondContact O-CE 3.35Å; E1110-K1114 IonicContact OE1-NZ 3.26Å; E1110-K1114 PolarHBondContact OE1-NZ 3.08Å; D1111-K1114 WeakPolarHBondContact O-CB 3.24Å; D1111-K1114 PolarHBondContact O-N 3.48Å; G1112-K1114 PolarHBondContact O-N 3.19Å; G1112-K1114 VanDerWaalsContact O-N 3.1Å; K1114-P1148 HydrophobicContact CG-CB 4.29Å; K1114-P1148 HydrophobicContact CG-CG 4.15Å
1115D92.1Very high92.6Very high27 Ų2733 Ų3314%0.14416%0.161CC..SBendtrans-87.7-156.9-170.9-155.2-22.8000113.2R1082 G1112 I1119 K1120R1082-D1115 IonicContact CZ-OD1 2.77Å; R1082-D1115 IonicContact CZ-OD2 3.86Å; R1082-D1115 IonicContact NE-OD1 3.1Å; R1082-D1115 IonicContact NE-OD2 2.78Å; R1082-D1115 PolarHBondContact NE-OD2 3.41Å; R1082-D1115 IonicContact NH2-OD1 3.38Å; R1082-D1115 PolarHBondContact NH2-OD1 3.39Å; R1082-D1115 IonicContact NH2-OD2 2.86Å; G1112-D1115 PolarHBondContact O-N 3.25Å; G1112-D1115 VanDerWaalsContact O-N 3.14Å; D1115-I1119 HydrophobicContact CB-CB 4.15Å; D1115-I1119 HydrophobicContact CB-CD1 4.27Å; D1115-I1119 HydrophobicContact CB-CG2 3.89Å; D1115-I1119 VanDerWaalsContact OD2-CD1 3.27Å; D1115-I1119 WeakPolarHBondContact OD2-CD1 3.36Å; D1115-K1120 WeakPolarHBondContact O-CD 3.27Å; D1115-K1120 WeakPolarHBondContact O-CE 3.43Å; D1115-K1120 PolarHBondContact O-NZ 3.49Å; D1115-K1120 VanDerWaalsContact O-NZ 3.12Å
1116H90.8Very high92.7Very high74 Ų7433 Ų3334%0.34316%0.161SC..  trans-62.9156.9178.9-172.1-97000112.6L1079 D1118 I1119 K1120L1079-H1116 HydrophobicContact CD1-CB 3.63Å; H1116-D1118 IonicContact CE1-OD2 2.58Å; H1116-D1118 PolarHBondContact CE1-OD2 3.19Å; H1116-D1118 PolarHBondContact ND1-N 3.46Å; H1116-D1118 IonicContact ND1-OD2 2.88Å; H1116-D1118 PolarHBondContact ND1-OD2 2.82Å; H1116-D1118 VanDerWaalsContact ND1-OD2 3.1Å; H1116-D1118 PolarHBondContact O-N 2.88Å; H1116-I1119 PolarHBondContact O-N 3.1Å; H1116-K1120 PolarHBondContact O-N 3.27Å
1117Y90.3Very high92.8Very high36 Ų3632.9 Ų32.914%0.14116%0.16CC..Hα-helixtrans-42.3-53.6179.8170.9-95.1000114I1119 K1120 M1121 K1168 E1171 L1172Y1117-I1119 PolarHBondContact O-N 2.94Å; Y1117-K1120 PolarHBondContact O-N 3.49Å; Y1117-M1121 HydrophobicContact CE1-CG 4.42Å; Y1117-M1121 HydrophobicContact CE2-CG 4.39Å; Y1117-M1121 WeakPolarHBondContact O-CG 3.14Å; Y1117-M1121 PolarHBondContact O-N 3.4Å; Y1117-M1121 VanDerWaalsContact O-N 3.08Å; Y1117-K1168 HydrophobicContact CD2-CB 3.88Å; Y1117-K1168 HydrophobicContact CD2-CD 4.31Å; Y1117-K1168 HydrophobicContact CD2-CG 4.13Å; Y1117-K1168 HydrophobicContact CE1-CG 4.47Å; Y1117-K1168 HydrophobicContact CE2-CB 3.68Å; Y1117-K1168 HydrophobicContact CE2-CD 4.48Å; Y1117-K1168 HydrophobicContact CE2-CG 3.85Å; Y1117-K1168 WeakPolarHBondContact CE2-O 3.13Å; Y1117-K1168 HydrophobicContact CG-CD 4.36Å; Y1117-E1171 PolarHBondContact OH-OE1 3.16Å; Y1117-E1171 PolarHBondContact OH-OE2 3.29Å; Y1117-L1172 HydrophobicContact CD2-CD1 3.74Å; Y1117-L1172 HydrophobicContact CD2-CD2 3.88Å; Y1117-L1172 HydrophobicContact CD2-CG 3.61Å; Y1117-L1172 HydrophobicContact CE2-CD1 4.31Å; Y1117-L1172 HydrophobicContact CE2-CD2 4.09Å; Y1117-L1172 HydrophobicContact CE2-CG 3.73Å
1118D90.3Very high92.8Very high55 Ų5532.2 Ų32.229%0.29416%0.159SC..Hα-helixtrans-65.8-36.5-176.5-53.2-61.6000112.7K1083 H1116 M1121 L1122K1083-D1118 HydrophobicContact CD-CB 4.32Å; K1083-D1118 WeakPolarHBondContact CE-OD2 3.46Å; K1083-D1118 HydrophobicContact CG-CB 4.42Å; K1083-D1118 IonicContact NZ-OD2 3.01Å; K1083-D1118 PolarHBondContact NZ-OD2 2.93Å; H1116-D1118 IonicContact CE1-OD2 2.58Å; H1116-D1118 PolarHBondContact CE1-OD2 3.19Å; H1116-D1118 PolarHBondContact ND1-N 3.46Å; H1116-D1118 IonicContact ND1-OD2 2.88Å; H1116-D1118 PolarHBondContact ND1-OD2 2.82Å; H1116-D1118 VanDerWaalsContact ND1-OD2 3.1Å; H1116-D1118 PolarHBondContact O-N 2.88Å; D1118-M1121 PolarHBondContact O-N 3.36Å; D1118-L1122 PolarHBondContact O-N 3.28Å; D1118-L1122 VanDerWaalsContact O-N 3.16Å
1119I94.1Very high92.6Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-72.9-38.3179.6-65.7169.4000110.4L1079 R1082 K1083 F1086 D1115 H1116 Y1117 M1121 L1122 T1123L1079-I1119 HydrophobicContact CD1-CD1 4.04Å; R1082-I1119 HydrophobicContact CB-CD1 3.64Å; K1083-I1119 HydrophobicContact CG-CG1 4.22Å; F1086-I1119 HydrophobicContact CD1-CG2 4.25Å; F1086-I1119 HydrophobicContact CD2-CB 4.34Å; F1086-I1119 HydrophobicContact CD2-CD1 4.22Å; F1086-I1119 HydrophobicContact CD2-CG1 4.07Å; F1086-I1119 HydrophobicContact CD2-CG2 3.41Å; F1086-I1119 VanDerWaalsContact CD2-CG2 3.41Å; F1086-I1119 HydrophobicContact CE1-CG2 4.24Å; F1086-I1119 HydrophobicContact CE2-CD1 4.39Å; F1086-I1119 HydrophobicContact CE2-CG2 3.4Å; F1086-I1119 VanDerWaalsContact CE2-CG2 3.4Å; F1086-I1119 HydrophobicContact CG-CG2 3.88Å; F1086-I1119 HydrophobicContact CZ-CG2 3.84Å; D1115-I1119 HydrophobicContact CB-CB 4.15Å; D1115-I1119 HydrophobicContact CB-CD1 4.27Å; D1115-I1119 HydrophobicContact CB-CG2 3.89Å; D1115-I1119 VanDerWaalsContact OD2-CD1 3.27Å; D1115-I1119 WeakPolarHBondContact OD2-CD1 3.36Å; H1116-I1119 PolarHBondContact O-N 3.1Å; Y1117-I1119 PolarHBondContact O-N 2.94Å; I1119-M1121 VanDerWaalsContact C-N 3.32Å; I1119-M1121 PolarHBondContact O-N 3.29Å; I1119-L1122 PolarHBondContact O-N 3.28Å; I1119-T1123 HydrophobicContact CG2-CG2 4.44Å; I1119-T1123 WeakPolarHBondContact O-CG2 3.46Å; I1119-T1123 PolarHBondContact O-N 3.35Å; I1119-T1123 PolarHBondContact O-OG1 3.41Å
1120K94.4Very high92.4Very high45 Ų4534.9 Ų34.920%0.19617%0.168CC..Hα-helixtrans-58.4-44.5171.5-76.8176.9169.9158.40111.7L1113 D1115 H1116 Y1117 L1122 T1123 F1124 L1172L1113-K1120 WeakPolarHBondContact O-CE 3.3Å; D1115-K1120 WeakPolarHBondContact O-CD 3.27Å; D1115-K1120 WeakPolarHBondContact O-CE 3.43Å; D1115-K1120 PolarHBondContact O-NZ 3.49Å; D1115-K1120 VanDerWaalsContact O-NZ 3.12Å; H1116-K1120 PolarHBondContact O-N 3.27Å; Y1117-K1120 PolarHBondContact O-N 3.49Å; K1120-L1122 PolarHBondContact O-N 2.94Å; K1120-T1123 VanDerWaalsContact CA-OG1 3.32Å; K1120-T1123 WeakPolarHBondContact CA-OG1 3.47Å; K1120-T1123 PolarHBondContact O-N 2.91Å; K1120-T1123 PolarHBondContact O-OG1 3.18Å; K1120-F1124 HydrophobicContact CB-CE2 4.09Å; K1120-F1124 HydrophobicContact CB-CZ 4.14Å; K1120-F1124 WeakPolarHBondContact O-CD2 3.5Å; K1120-F1124 WeakPolarHBondContact O-CG 3.46Å; K1120-F1124 PolarHBondContact O-N 2.95Å; K1120-L1172 HydrophobicContact CB-CD2 3.76Å; K1120-L1172 HydrophobicContact CD-CD2 4.39Å
1121M92.6Very high92.1Very high33 Ų3333.5 Ų33.516%0.16316%0.163CC..Hα-helixtrans-60.2-45.3177.1-72.3-63-71.300112.1Y1117 D1118 I1119 F1124 L1125 E1171 L1172 S1175Y1117-M1121 HydrophobicContact CE1-CG 4.42Å; Y1117-M1121 HydrophobicContact CE2-CG 4.39Å; Y1117-M1121 WeakPolarHBondContact O-CG 3.14Å; Y1117-M1121 PolarHBondContact O-N 3.4Å; Y1117-M1121 VanDerWaalsContact O-N 3.08Å; D1118-M1121 PolarHBondContact O-N 3.36Å; I1119-M1121 VanDerWaalsContact C-N 3.32Å; I1119-M1121 PolarHBondContact O-N 3.29Å; M1121-F1124 PolarHBondContact O-N 3.3Å; M1121-F1124 HydrophobicContact SD-CD2 4.44Å; M1121-L1125 WeakPolarHBondContact O-CG 3.49Å; M1121-L1125 PolarHBondContact O-N 3.4Å; M1121-E1171 HydrophobicContact CE-CG 3.91Å; M1121-E1171 HydrophobicContact SD-CG 4.38Å; M1121-L1172 HydrophobicContact CG-CD2 4.06Å; M1121-L1172 HydrophobicContact SD-CD2 3.97Å; M1121-S1175 VanDerWaalsContact SD-CB 3.51Å
1122L92.1Very high91.7Very high30 Ų3034.3 Ų34.316%0.15717%0.171CC..Hα-helixtrans-63.4-44.3176-71.9169.4000112.3F1086 E1087 D1118 I1119 K1120 F1124 L1125 M1126F1086-L1122 HydrophobicContact CB-CD1 4.01Å; E1087-L1122 HydrophobicContact CG-CD1 3.75Å; E1087-L1122 HydrophobicContact CG-CD2 4.27Å; D1118-L1122 PolarHBondContact O-N 3.28Å; D1118-L1122 VanDerWaalsContact O-N 3.16Å; I1119-L1122 PolarHBondContact O-N 3.28Å; K1120-L1122 PolarHBondContact O-N 2.94Å; L1122-F1124 PolarHBondContact O-N 2.93Å; L1122-L1125 WeakPolarHBondContact O-CB 3.39Å; L1122-L1125 PolarHBondContact O-N 3.43Å; L1122-M1126 WeakPolarHBondContact O-CG 3.21Å; L1122-M1126 PolarHBondContact O-N 2.96Å
1123T95.1Very high91.2Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-68.3-32.2179.748.30000113.3F1086 V1109 I1119 K1120 M1126 L1127F1086-T1123 HydrophobicContact CD1-CG2 3.78Å; F1086-T1123 HydrophobicContact CE1-CG2 3.62Å; F1086-T1123 HydrophobicContact CZ-CG2 4.48Å; V1109-T1123 HydrophobicContact CG1-CG2 4.39Å; I1119-T1123 HydrophobicContact CG2-CG2 4.44Å; I1119-T1123 WeakPolarHBondContact O-CG2 3.46Å; I1119-T1123 PolarHBondContact O-N 3.35Å; I1119-T1123 PolarHBondContact O-OG1 3.41Å; K1120-T1123 VanDerWaalsContact CA-OG1 3.32Å; K1120-T1123 WeakPolarHBondContact CA-OG1 3.47Å; K1120-T1123 PolarHBondContact O-N 2.91Å; K1120-T1123 PolarHBondContact O-OG1 3.18Å; T1123-M1126 HydrophobicContact CG2-SD 4.26Å; T1123-M1126 PolarHBondContact O-N 3.33Å; T1123-L1127 WeakPolarHBondContact O-CG 3.32Å; T1123-L1127 PolarHBondContact O-N 2.99Å
1124F94.8Very high90.6Very high1 Ų138.6 Ų38.60%0.00419%0.194CC..Hα-helixtrans-62.9-42170.4-61.9-30.2000112L1113 K1120 M1121 L1122 L1127 V1128 L1149 T1152 L1172 A1176 A1179L1113-F1124 HydrophobicContact CD2-CD1 3.47Å; L1113-F1124 VanDerWaalsContact CD2-CD1 3.47Å; L1113-F1124 HydrophobicContact CD2-CE1 3.48Å; L1113-F1124 VanDerWaalsContact CD2-CE1 3.48Å; K1120-F1124 HydrophobicContact CB-CE2 4.09Å; K1120-F1124 HydrophobicContact CB-CZ 4.14Å; K1120-F1124 WeakPolarHBondContact O-CD2 3.5Å; K1120-F1124 WeakPolarHBondContact O-CG 3.46Å; K1120-F1124 PolarHBondContact O-N 2.95Å; M1121-F1124 PolarHBondContact O-N 3.3Å; M1121-F1124 HydrophobicContact SD-CD2 4.44Å; L1122-F1124 PolarHBondContact O-N 2.93Å; F1124-L1127 PolarHBondContact O-N 3.27Å; F1124-V1128 WeakPolarHBondContact O-CG2 3.27Å; F1124-V1128 PolarHBondContact O-N 3.34Å; F1124-V1128 VanDerWaalsContact O-N 3.1Å; F1124-L1149 HydrophobicContact CD1-CD2 3.66Å; F1124-L1149 HydrophobicContact CE1-CD2 3.47Å; F1124-L1149 VanDerWaalsContact CE1-CD2 3.47Å; F1124-L1149 HydrophobicContact CZ-CD2 4.4Å; F1124-T1152 HydrophobicContact CE2-CG2 4.37Å; F1124-T1152 HydrophobicContact CZ-CG2 3.98Å; F1124-L1172 HydrophobicContact CE2-CD2 3.81Å; F1124-A1176 HydrophobicContact CD2-CB 4.45Å; F1124-A1176 HydrophobicContact CE1-CB 4.22Å; F1124-A1176 HydrophobicContact CE2-CB 4Å; F1124-A1176 HydrophobicContact CZ-CB 3.9Å; F1124-A1179 HydrophobicContact CB-CB 4.38Å
1125L92.6Very high90.1Very high82 Ų8235.4 Ų35.443%0.42919%0.185SC..Hα-helixtrans-63.9-41.6174.5-67.5172000111.9Y1090 M1121 L1122 L1127 V1128 R1129Y1090-L1125 HydrophobicContact CD2-CB 4.36Å; Y1090-L1125 HydrophobicContact CE2-CB 3.74Å; M1121-L1125 WeakPolarHBondContact O-CG 3.49Å; M1121-L1125 PolarHBondContact O-N 3.4Å; L1122-L1125 WeakPolarHBondContact O-CB 3.39Å; L1122-L1125 PolarHBondContact O-N 3.43Å; L1125-L1127 VanDerWaalsContact C-N 3.34Å; L1125-L1127 PolarHBondContact O-N 3.18Å; L1125-V1128 PolarHBondContact O-N 3.02Å; L1125-R1129 PolarHBondContact O-N 3.36Å; L1125-R1129 VanDerWaalsContact O-N 3.12Å
1126M93.7Very high89.3Confident0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-59.1-44173.4-67.6172.5-178.900111.8F1086 M1089 Y1090 L1093 F1105 V1109 L1122 T1123 V1128 R1129 L1130F1086-M1126 HydrophobicContact CB-CE 4.26Å; F1086-M1126 HydrophobicContact CD1-CE 4.02Å; F1086-M1126 HydrophobicContact CD1-SD 4.36Å; F1086-M1126 WeakPolarHBondContact O-CE 3.5Å; M1089-M1126 HydrophobicContact CB-CE 3.66Å; Y1090-M1126 HydrophobicContact CD2-CG 3.8Å; L1093-M1126 HydrophobicContact CD1-CB 4.08Å; L1093-M1126 HydrophobicContact CD1-CG 4.01Å; F1105-M1126 HydrophobicContact CE1-SD 4.31Å; F1105-M1126 HydrophobicContact CZ-SD 4.34Å; V1109-M1126 HydrophobicContact CG2-SD 3.92Å; L1122-M1126 WeakPolarHBondContact O-CG 3.21Å; L1122-M1126 PolarHBondContact O-N 2.96Å; T1123-M1126 HydrophobicContact CG2-SD 4.26Å; T1123-M1126 PolarHBondContact O-N 3.33Å; M1126-V1128 PolarHBondContact O-N 2.87Å; M1126-R1129 PolarHBondContact O-N 3.38Å; M1126-L1130 HydrophobicContact CB-CD1 4.46Å; M1126-L1130 VanDerWaalsContact O-CB 3.31Å; M1126-L1130 WeakPolarHBondContact O-CB 3.17Å; M1126-L1130 VanDerWaalsContact O-CG 3.26Å; M1126-L1130 WeakPolarHBondContact O-CG 3.45Å; M1126-L1130 PolarHBondContact O-N 3.04Å
1127L93.5Very high88.8Confident0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-61.4-42.6178.1-78.5-176.3000112.6V1109 L1113 T1123 F1124 L1125 R1129 L1130 S1131 L1145 L1149 A1179V1109-L1127 HydrophobicContact CG1-CD2 3.93Å; V1109-L1127 HydrophobicContact CG1-CG 4.12Å; L1113-L1127 HydrophobicContact CD1-CD1 3.88Å; L1113-L1127 HydrophobicContact CD2-CD1 3.68Å; L1113-L1127 HydrophobicContact CD2-CG 4.42Å; L1113-L1127 HydrophobicContact CG-CD1 4.38Å; T1123-L1127 WeakPolarHBondContact O-CG 3.32Å; T1123-L1127 PolarHBondContact O-N 2.99Å; F1124-L1127 PolarHBondContact O-N 3.27Å; L1125-L1127 VanDerWaalsContact C-N 3.34Å; L1125-L1127 PolarHBondContact O-N 3.18Å; L1127-R1129 VanDerWaalsContact C-N 3.32Å; L1127-R1129 PolarHBondContact O-N 3.38Å; L1127-L1130 PolarHBondContact O-N 2.9Å; L1127-S1131 WeakPolarHBondContact O-CB 3.32Å; L1127-S1131 PolarHBondContact O-N 3.07Å; L1127-L1145 HydrophobicContact CD2-CD1 3.89Å; L1127-L1145 HydrophobicContact CD2-CD2 4.03Å; L1127-L1145 HydrophobicContact CD2-CG 4.44Å; L1127-L1149 HydrophobicContact CD1-CD1 4.22Å; L1127-L1149 HydrophobicContact CD1-CD2 4.44Å; L1127-A1179 HydrophobicContact CB-CB 4.25Å; L1127-A1179 HydrophobicContact CD1-CB 4.42Å
1128V91.9Very high88.6Confident51 Ų5132.3 Ų32.331%0.30918%0.18SC..Hα-helixtrans-57.7-48175.1173.10000110F1124 L1125 M1126 S1131 A1179 A1182F1124-V1128 WeakPolarHBondContact O-CG2 3.27Å; F1124-V1128 PolarHBondContact O-N 3.34Å; F1124-V1128 VanDerWaalsContact O-N 3.1Å; L1125-V1128 PolarHBondContact O-N 3.02Å; M1126-V1128 PolarHBondContact O-N 2.87Å; V1128-S1131 PolarHBondContact O-N 2.92Å; V1128-S1131 PolarHBondContact O-OG 3.09Å; V1128-A1179 HydrophobicContact CG2-CB 4.24Å; V1128-A1182 HydrophobicContact CB-CB 4.23Å; V1128-A1182 HydrophobicContact CG1-CB 4.09Å; V1128-A1182 HydrophobicContact CG2-CB 4.03Å
1129R87.9Confident88.2Confident68 Ų6831.6 Ų31.626%0.25718%0.176SC..Hα-helixtrans-65-47.8177.5-78.3-174159.3-176.3-15.9113.1Y1090 D1094 L1125 M1126 L1127 S1131 T1132 L1133Y1090-R1129 VanDerWaalsContact CE1-NH1 3.31Å; Y1090-R1129 VanDerWaalsContact OH-CZ 3.26Å; Y1090-R1129 PolarHBondContact OH-NE 2.61Å; Y1090-R1129 PolarHBondContact OH-NH1 3.29Å; D1094-R1129 VanDerWaalsContact CG-CZ 3.41Å; D1094-R1129 VanDerWaalsContact CG-NH2 3.35Å; D1094-R1129 IonicContact OD1-CZ 3.82Å; D1094-R1129 IonicContact OD1-NE 3.82Å; D1094-R1129 IonicContact OD1-NH1 3.35Å; D1094-R1129 PolarHBondContact OD1-NH1 2.71Å; D1094-R1129 IonicContact OD1-NH2 3.38Å; D1094-R1129 PolarHBondContact OD1-NH2 2.92Å; D1094-R1129 VanDerWaalsContact OD1-NH2 3.17Å; D1094-R1129 IonicContact OD2-CZ 2.81Å; D1094-R1129 IonicContact OD2-NH1 2.93Å; D1094-R1129 PolarHBondContact OD2-NH1 3.28Å; D1094-R1129 IonicContact OD2-NH2 3.76Å; D1094-R1129 PolarHBondContact OD2-NH2 3.47Å; L1125-R1129 PolarHBondContact O-N 3.36Å; L1125-R1129 VanDerWaalsContact O-N 3.12Å; M1126-R1129 PolarHBondContact O-N 3.38Å; L1127-R1129 VanDerWaalsContact C-N 3.32Å; L1127-R1129 PolarHBondContact O-N 3.38Å; R1129-S1131 PolarHBondContact O-N 3.38Å; R1129-T1132 PolarHBondContact O-N 3.23Å; R1129-T1132 PolarHBondContact O-OG1 3.28Å; R1129-L1133 HydrophobicContact CB-CD1 4.4Å; R1129-L1133 WeakPolarHBondContact O-CG 3.42Å; R1129-L1133 PolarHBondContact O-N 3.31Å
1130L90.3Very high87.4Confident0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-59.5-31.7179.6-76.4167000112.7L1093 F1105 L1106 V1109 M1126 L1127 T1132 L1133 C1134 V1138L1093-L1130 HydrophobicContact CD1-CG 4.22Å; L1093-L1130 HydrophobicContact CD2-CD2 3.71Å; L1093-L1130 HydrophobicContact CD2-CG 4.31Å; F1105-L1130 HydrophobicContact CD1-CD1 4.28Å; F1105-L1130 HydrophobicContact CE1-CD1 4.12Å; L1106-L1130 HydrophobicContact CD2-CD1 3.9Å; V1109-L1130 HydrophobicContact CG2-CD1 4.29Å; M1126-L1130 HydrophobicContact CB-CD1 4.46Å; M1126-L1130 VanDerWaalsContact O-CB 3.31Å; M1126-L1130 WeakPolarHBondContact O-CB 3.17Å; M1126-L1130 VanDerWaalsContact O-CG 3.26Å; M1126-L1130 WeakPolarHBondContact O-CG 3.45Å; M1126-L1130 PolarHBondContact O-N 3.04Å; L1127-L1130 PolarHBondContact O-N 2.9Å; L1130-T1132 PolarHBondContact O-N 2.94Å; L1130-L1133 PolarHBondContact O-N 3.33Å; L1130-C1134 CarbonylContact O-C 3.58Å; L1130-C1134 PolarHBondContact O-N 2.97Å; L1130-V1138 HydrophobicContact CB-CG2 3.78Å
1131S87Confident86.9Confident5 Ų533 Ų334%0.03518%0.182CC..Hα-helixtrans-61-29174.976.50000113L1127 V1128 R1129 P1135 A1182L1127-S1131 WeakPolarHBondContact O-CB 3.32Å; L1127-S1131 PolarHBondContact O-N 3.07Å; V1128-S1131 PolarHBondContact O-N 2.92Å; V1128-S1131 PolarHBondContact O-OG 3.09Å; R1129-S1131 PolarHBondContact O-N 3.38Å; S1131-P1135 WeakPolarHBondContact O-CB 3.36Å; S1131-A1182 WeakPolarHBondContact OG-CB 3.5Å
1132T84.3Confident86.5Confident102 Ų10231.5 Ų31.563%0.62617%0.174SC*.Hα-helixtrans-92.5-40.5177.664.60000112.8R1129 L1130R1129-T1132 PolarHBondContact O-N 3.23Å; R1129-T1132 PolarHBondContact O-OG1 3.28Å; L1130-T1132 PolarHBondContact O-N 2.94Å
1133L81.5Confident86.1Confident74 Ų7433 Ų3339%0.38718%0.182SC..Hα-helixtrans-77.1-42.2-175.6-64.7174.3000112.6L1097 R1129 L1130L1097-L1133 HydrophobicContact CD2-CB 4.12Å; L1097-L1133 HydrophobicContact CD2-CD1 4.4Å; L1097-L1133 HydrophobicContact CD2-CD2 4.42Å; R1129-L1133 HydrophobicContact CB-CD1 4.4Å; R1129-L1133 WeakPolarHBondContact O-CG 3.42Å; R1129-L1133 PolarHBondContact O-N 3.31Å; L1130-L1133 PolarHBondContact O-N 3.33Å
1134C81.5Confident85.7Confident16 Ų1639.6 Ų39.611%0.10821%0.207CC..  trans-135.654-172.4-610000112.4I1102 L1130 S1136 A1137 V1138I1102-C1134 HydrophobicContact CG2-CB 4.1Å; L1130-C1134 CarbonylContact O-C 3.58Å; L1130-C1134 PolarHBondContact O-N 2.97Å; C1134-S1136 VanDerWaalsContact C-N 3.3Å; C1134-S1136 PolarHBondContact O-N 3.41Å; C1134-A1137 HydrophobicContact CB-CB 4.26Å; C1134-A1137 PolarHBondContact O-N 3.16Å; C1134-V1138 PolarHBondContact O-N 3.32Å
1135P80.4Confident85.5Confident44 Ų4439.6 Ų39.629%0.28621%0.207SC..Hα-helixtrans-55.1-41.5-170.819.4-32.1000113.3S1131 A1137 V1138 L1139 I1186S1131-P1135 WeakPolarHBondContact O-CB 3.36Å; P1135-A1137 PolarHBondContact O-N 3.04Å; P1135-V1138 PolarHBondContact O-N 2.92Å; P1135-L1139 WeakPolarHBondContact O-CB 3.41Å; P1135-L1139 PolarHBondContact O-N 2.89Å; P1135-I1186 HydrophobicContact CB-CG1 4.29Å; P1135-I1186 HydrophobicContact CB-CG2 3.96Å
1136S76.5Confident85.4Confident60 Ų6035.7 Ų35.742%0.4219%0.187SC..Hα-helixtrans-63.9-37-179.4-54.90000113.2C1134 Q1140C1134-S1136 VanDerWaalsContact C-N 3.3Å; C1134-S1136 PolarHBondContact O-N 3.41Å; S1136-Q1140 PolarHBondContact O-N 2.91Å; S1136-Q1140 PolarHBondContact O-NE2 3.11Å
1137A80.4Confident85.1Confident12 Ų1240.3 Ų40.310%0.09921%0.208CC..Hα-helixtrans-74.1-40.9179.500000111.1I1102 F1103 L1106 C1134 P1135 Q1140 R1141I1102-A1137 HydrophobicContact CG2-CB 3.72Å; F1103-A1137 HydrophobicContact CE1-CB 4.28Å; F1103-A1137 HydrophobicContact CZ-CB 4.26Å; L1106-A1137 HydrophobicContact CD1-CB 4.21Å; C1134-A1137 HydrophobicContact CB-CB 4.26Å; C1134-A1137 PolarHBondContact O-N 3.16Å; P1135-A1137 PolarHBondContact O-N 3.04Å; A1137-Q1140 PolarHBondContact O-N 3.02Å; A1137-R1141 PolarHBondContact O-N 2.89Å
1138V86.2Confident85Confident0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-62.4-43.6174.7177.60000110.8L1106 L1130 C1134 P1135 Q1140 R1141 L1142 L1145 L1183 I1186L1106-V1138 HydrophobicContact CD2-CG2 4.49Å; L1130-V1138 HydrophobicContact CB-CG2 3.78Å; C1134-V1138 PolarHBondContact O-N 3.32Å; P1135-V1138 PolarHBondContact O-N 2.92Å; V1138-Q1140 VanDerWaalsContact C-N 3.25Å; V1138-Q1140 PolarHBondContact O-N 2.88Å; V1138-R1141 CarbonylContact O-C 3.43Å; V1138-R1141 PolarHBondContact O-N 3.32Å; V1138-L1142 PolarHBondContact O-N 3.3Å; V1138-L1145 HydrophobicContact CG1-CD1 3.94Å; V1138-L1183 HydrophobicContact CG1-CD2 3.33Å; V1138-I1186 HydrophobicContact CB-CD1 3.91Å; V1138-I1186 HydrophobicContact CG1-CD1 3.61Å
1139L81.4Confident85Confident41 Ų4138.5 Ų38.522%0.21520%0.198CC..Hα-helixtrans-56.2-38.3178.2-174.864.4000112.5P1135 R1141 L1142 I1186 E1188 A1189P1135-L1139 WeakPolarHBondContact O-CB 3.41Å; P1135-L1139 PolarHBondContact O-N 2.89Å; L1139-R1141 VanDerWaalsContact C-N 3.28Å; L1139-R1141 PolarHBondContact O-N 3.36Å; L1139-L1142 HydrophobicContact CD1-CD2 4.07Å; L1139-L1142 VanDerWaalsContact O-CB 3.26Å; L1139-L1142 WeakPolarHBondContact O-CB 3.42Å; L1139-L1142 PolarHBondContact O-N 3.05Å; L1139-I1186 HydrophobicContact CB-CG2 4.16Å; L1139-I1186 HydrophobicContact CD1-CG2 4.31Å; L1139-E1188 HydrophobicContact CD2-CB 4.21Å; L1139-A1189 HydrophobicContact CD1-CB 4.36Å
1140Q78.3Confident85.2Confident42 Ų4236.5 Ų36.520%0.19619%0.19CC..Hα-helixtrans-72.8-17.7177.7-74.3162.958.900114.6P287 S1136 A1137 V1138P287-Q1140 VanDerWaalsContact CD-NE2 3.28Å; P287-Q1140 VanDerWaalsContact CG-CD 3.43Å; S1136-Q1140 PolarHBondContact O-N 2.91Å; S1136-Q1140 PolarHBondContact O-NE2 3.11Å; A1137-Q1140 PolarHBondContact O-N 3.02Å; V1138-Q1140 VanDerWaalsContact C-N 3.25Å; V1138-Q1140 PolarHBondContact O-N 2.88Å
1141R82.7Confident85.2Confident33 Ų3338.8 Ų38.813%0.12521%0.209CC..Hα-helixtrans-106.91.1175.6-67.3-67.6-176.4-95-5.7112.2L1106 A1137 V1138 L1139 D1143 R1144 L1145L1106-R1141 HydrophobicContact CD1-CG 4.08Å; A1137-R1141 PolarHBondContact O-N 2.89Å; V1138-R1141 CarbonylContact O-C 3.43Å; V1138-R1141 PolarHBondContact O-N 3.32Å; L1139-R1141 VanDerWaalsContact C-N 3.28Å; L1139-R1141 PolarHBondContact O-N 3.36Å; R1141-D1143 VanDerWaalsContact C-N 3.3Å; R1141-D1143 PolarHBondContact O-N 3.31Å; R1141-R1144 PolarHBondContact O-N 3.13Å; R1141-L1145 HydrophobicContact CB-CD1 4.07Å; R1141-L1145 HydrophobicContact CB-CG 4.26Å; R1141-L1145 WeakPolarHBondContact O-CG 3.29Å; R1141-L1145 PolarHBondContact O-N 2.88Å; R1141-L1145 VanDerWaalsContact O-N 3.12Å
1142L85.6Confident85.3Confident1 Ų138.9 Ų38.91%0.00521%0.209CC..Hα-helixtrans-50.2-49-170.9-176.662.3000112.2V1138 L1139 R1144 L1145 V1146 L1183 A1189 M1195V1138-L1142 PolarHBondContact O-N 3.3Å; L1139-L1142 HydrophobicContact CD1-CD2 4.07Å; L1139-L1142 VanDerWaalsContact O-CB 3.26Å; L1139-L1142 WeakPolarHBondContact O-CB 3.42Å; L1139-L1142 PolarHBondContact O-N 3.05Å; L1142-R1144 VanDerWaalsContact C-N 3.27Å; L1142-R1144 PolarHBondContact O-N 2.99Å; L1142-L1145 PolarHBondContact O-N 3.24Å; L1142-V1146 HydrophobicContact CD1-CG2 3.94Å; L1142-V1146 HydrophobicContact CG-CG2 4.13Å; L1142-V1146 VanDerWaalsContact O-CG2 3.25Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.23Å; L1142-V1146 PolarHBondContact O-N 3.25Å; L1142-L1183 HydrophobicContact CD1-CB 4.27Å; L1142-L1183 HydrophobicContact CD1-CD1 4.08Å; L1142-L1183 HydrophobicContact CD1-CD2 4.18Å; L1142-L1183 HydrophobicContact CD1-CG 4.41Å; L1142-A1189 HydrophobicContact CD2-CB 3.84Å; L1142-M1195 HydrophobicContact CD2-CB 4.26Å
1143D82.6Confident85.6Confident60 Ų6034.1 Ų34.132%0.32118%0.18SC..Hα-helixtrans-56.9-37.7-179.9-71.8-4.6000113.3R1141 S1192 L1194R1141-D1143 VanDerWaalsContact C-N 3.3Å; R1141-D1143 PolarHBondContact O-N 3.31Å; D1143-S1192 PolarHBondContact OD1-OG 2.9Å; D1143-L1194 HydrophobicContact CB-CD1 3.71Å
1144R86.6Confident85.8Confident140 Ų14034.2 Ų34.253%0.52818%0.184SC..Hα-helixtrans-77.8-28.6178-60.8-173.6-177-176.4-0.9112.9E1110 R1141 L1142 P1148E1110-R1144 HydrophobicContact CG-CB 4.5Å; E1110-R1144 WeakPolarHBondContact OE2-CD 3.27Å; R1141-R1144 PolarHBondContact O-N 3.13Å; L1142-R1144 VanDerWaalsContact C-N 3.27Å; L1142-R1144 PolarHBondContact O-N 2.99Å; R1144-P1148 WeakPolarHBondContact O-CD 3.49Å
1145L90.6Very high86.1Confident1 Ų136.8 Ų36.81%0.00520%0.199CC..Hα-helixtrans-79.9-32.4179.3-62173.4000112L1106 L1113 L1127 V1138 R1141 L1142 P1148 L1149L1106-L1145 HydrophobicContact CD2-CD1 4.5Å; L1113-L1145 HydrophobicContact CD1-CD2 3.85Å; L1127-L1145 HydrophobicContact CD2-CD1 3.89Å; L1127-L1145 HydrophobicContact CD2-CD2 4.03Å; L1127-L1145 HydrophobicContact CD2-CG 4.44Å; V1138-L1145 HydrophobicContact CG1-CD1 3.94Å; R1141-L1145 HydrophobicContact CB-CD1 4.07Å; R1141-L1145 HydrophobicContact CB-CG 4.26Å; R1141-L1145 WeakPolarHBondContact O-CG 3.29Å; R1141-L1145 PolarHBondContact O-N 2.88Å; R1141-L1145 VanDerWaalsContact O-N 3.12Å; L1142-L1145 PolarHBondContact O-N 3.24Å; L1145-P1148 WeakPolarHBondContact O-CD 3.07Å; L1145-L1149 WeakPolarHBondContact O-CD1 3.25Å; L1145-L1149 WeakPolarHBondContact O-CG 3.37Å
1146V89.7Confident86.1Confident0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-66.6-37.2180167.90000111.9L1142 L1149 R1150 L1194 M1195 F1198L1142-V1146 HydrophobicContact CD1-CG2 3.94Å; L1142-V1146 HydrophobicContact CG-CG2 4.13Å; L1142-V1146 VanDerWaalsContact O-CG2 3.25Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.23Å; L1142-V1146 PolarHBondContact O-N 3.25Å; V1146-L1149 WeakPolarHBondContact O-CB 3.49Å; V1146-L1149 PolarHBondContact O-N 3.3Å; V1146-R1150 WeakPolarHBondContact O-CB 3.45Å; V1146-R1150 PolarHBondContact O-N 3.47Å; V1146-L1194 HydrophobicContact CG1-CB 4.42Å; V1146-M1195 HydrophobicContact CG2-CB 4.45Å; V1146-M1195 HydrophobicContact CG2-SD 3.54Å; V1146-M1195 VanDerWaalsContact CG2-SD 3.54Å; V1146-F1198 HydrophobicContact CG1-CB 4.03Å; V1146-F1198 HydrophobicContact CG1-CD1 3.95Å; V1146-F1198 HydrophobicContact CG1-CG 4.28Å
1147E89.1Confident86.2Confident97 Ų9743.2 Ų43.245%0.45322%0.218SC..Hα-helixtrans-65.4-46.6-174.6-166.263.2-158.500113.4L1149 R1150 A1151E1147-L1149 VanDerWaalsContact C-N 3.32Å; E1147-L1149 PolarHBondContact O-N 3.49Å; E1147-R1150 PolarHBondContact O-N 3.12Å; E1147-R1150 IonicContact OE2-NE 3.96Å; E1147-A1151 WeakPolarHBondContact O-CB 3.32Å; E1147-A1151 PolarHBondContact O-N 3.5Å
1148P90.8Very high86.2Confident12 Ų1250 Ų508%0.07825%0.246CC..Hα-helixtrans-60.5-35.7171.3-25.435000114.3L1113 K1114 R1144 L1145 T1152L1113-P1148 HydrophobicContact CB-CB 3.62Å; L1113-P1148 HydrophobicContact CB-CG 4.2Å; L1113-P1148 HydrophobicContact CD1-CB 4.32Å; L1113-P1148 HydrophobicContact CD1-CG 4.42Å; K1114-P1148 HydrophobicContact CG-CB 4.29Å; K1114-P1148 HydrophobicContact CG-CG 4.15Å; R1144-P1148 WeakPolarHBondContact O-CD 3.49Å; L1145-P1148 WeakPolarHBondContact O-CD 3.07Å; P1148-T1152 PolarHBondContact O-N 3.16Å; P1148-T1152 PolarHBondContact O-OG1 3.41Å
1149L92.3Very high85.6Confident1 Ų155.1 Ų55.11%0.00529%0.288CS..Hα-helixtrans-66.5-44.8176.3-69.6169.3000111F1124 L1127 L1145 V1146 E1147 T1152 C1153 A1176 A1179 V1180 L1183 F1198F1124-L1149 HydrophobicContact CD1-CD2 3.66Å; F1124-L1149 HydrophobicContact CE1-CD2 3.47Å; F1124-L1149 VanDerWaalsContact CE1-CD2 3.47Å; F1124-L1149 HydrophobicContact CZ-CD2 4.4Å; L1127-L1149 HydrophobicContact CD1-CD1 4.22Å; L1127-L1149 HydrophobicContact CD1-CD2 4.44Å; L1145-L1149 WeakPolarHBondContact O-CD1 3.25Å; L1145-L1149 WeakPolarHBondContact O-CG 3.37Å; V1146-L1149 WeakPolarHBondContact O-CB 3.49Å; V1146-L1149 PolarHBondContact O-N 3.3Å; E1147-L1149 VanDerWaalsContact C-N 3.32Å; E1147-L1149 PolarHBondContact O-N 3.49Å; L1149-T1152 PolarHBondContact O-N 3.23Å; L1149-C1153 PolarHBondContact O-N 3.3Å; L1149-C1153 PolarHBondContact O-SG 2.96Å; L1149-A1176 HydrophobicContact CD2-CB 3.95Å; L1149-A1179 HydrophobicContact CD2-CB 4.13Å; L1149-V1180 HydrophobicContact CB-CG2 4.44Å; L1149-V1180 HydrophobicContact CD1-CG2 4.16Å; L1149-L1183 HydrophobicContact CD1-CD1 3.66Å; L1149-F1198 HydrophobicContact CB-CE1 4.18Å
1150R90.7Very high85.4Confident25 Ų2559.8 Ų59.89%0.09431%0.313CS..Hα-helixtrans-59.1-47.3174.3-176.3-171-68.8-159-3.2111.1V1146 E1147 T1152 C1153 T1154 L1194 E1197 F1198V1146-R1150 WeakPolarHBondContact O-CB 3.45Å; V1146-R1150 PolarHBondContact O-N 3.47Å; E1147-R1150 PolarHBondContact O-N 3.12Å; E1147-R1150 IonicContact OE2-NE 3.96Å; R1150-T1152 VanDerWaalsContact C-N 3.34Å; R1150-T1152 PolarHBondContact O-N 3.31Å; R1150-C1153 PolarHBondContact O-N 3.06Å; R1150-T1154 HydrophobicContact CG-CG2 4.46Å; R1150-T1154 WeakPolarHBondContact O-CB 3.39Å; R1150-T1154 VanDerWaalsContact O-CG2 3.32Å; R1150-T1154 WeakPolarHBondContact O-CG2 3.41Å; R1150-T1154 PolarHBondContact O-N 2.87Å; R1150-T1154 PolarHBondContact O-OG1 2.97Å; R1150-L1194 PolarHBondContact NH2-O 3.05Å; R1150-E1197 IonicContact CZ-OE2 2.59Å; R1150-E1197 IonicContact NH1-OE1 2.67Å; R1150-E1197 PolarHBondContact NH1-OE1 2.98Å; R1150-E1197 IonicContact NH1-OE2 3.32Å; R1150-E1197 PolarHBondContact NH1-OE2 3.4Å; R1150-E1197 IonicContact NH2-OE2 3.75Å; R1150-E1197 PolarHBondContact NH2-OE2 2.84Å; R1150-F1198 HydrophobicContact CB-CD2 3.99Å; R1150-F1198 HydrophobicContact CB-CE1 4.49Å; R1150-F1198 HydrophobicContact CB-CE2 3.92Å; R1150-F1198 HydrophobicContact CB-CG 4.37Å; R1150-F1198 HydrophobicContact CB-CZ 4.18Å; R1150-F1198 HydrophobicContact CG-CD2 3.85Å; R1150-F1198 HydrophobicContact CG-CE2 3.98Å
1151A90.8Very high85.4Confident48 Ų4859 Ų5940%0.39731%0.312SS..Hα-helixtrans-59-44.2176.700000111.8E1147 C1153 T1154 T1155E1147-A1151 WeakPolarHBondContact O-CB 3.32Å; E1147-A1151 PolarHBondContact O-N 3.5Å; A1151-C1153 PolarHBondContact O-N 2.96Å; A1151-T1154 PolarHBondContact O-N 2.71Å; A1151-T1154 PolarHBondContact O-OG1 2.89Å; A1151-T1155 WeakPolarHBondContact O-CB 3.26Å; A1151-T1155 PolarHBondContact O-N 3.28Å; A1151-T1155 VanDerWaalsContact O-N 3.09Å; A1151-T1155 PolarHBondContact O-OG1 3.34Å
1152T90.3Very high85.4Confident7 Ų761.9 Ų61.94%0.04333%0.333CS..Hα-helixtrans-62.5-43.9177.4-59.30000111.8F1124 P1148 L1149 R1150 T1154 Q1169 L1172 A1176F1124-T1152 HydrophobicContact CE2-CG2 4.37Å; F1124-T1152 HydrophobicContact CZ-CG2 3.98Å; P1148-T1152 PolarHBondContact O-N 3.16Å; P1148-T1152 PolarHBondContact O-OG1 3.41Å; L1149-T1152 PolarHBondContact O-N 3.23Å; R1150-T1152 VanDerWaalsContact C-N 3.34Å; R1150-T1152 PolarHBondContact O-N 3.31Å; T1152-T1154 PolarHBondContact O-N 2.91Å; T1152-Q1169 PolarHBondContact O-NE2 3.03Å; T1152-L1172 HydrophobicContact CG2-CB 3.88Å; T1152-A1176 HydrophobicContact CG2-CB 4.32Å
1153C88.9Confident85.3Confident3 Ų369 Ų692%0.0236%0.364CS..Hα-helixtrans-70-31.4-178.3-65.60000113.5L1149 R1150 A1151 M1177 F1198 L1208L1149-C1153 PolarHBondContact O-N 3.3Å; L1149-C1153 PolarHBondContact O-SG 2.96Å; R1150-C1153 PolarHBondContact O-N 3.06Å; A1151-C1153 PolarHBondContact O-N 2.96Å; C1153-M1177 HydrophobicContact CB-CE 4.36Å; C1153-F1198 HydrophobicContact CB-CE2 4.27Å; C1153-F1198 HydrophobicContact CB-CZ 4.05Å; C1153-L1208 HydrophobicContact CB-CD1 4.41Å; C1153-L1208 HydrophobicContact CB-CD2 4.43Å
1154T86.8Confident85.2Confident76 Ų7672.6 Ų72.647%0.46638%0.379SS..Hα-helixtrans-91.4-11-177.156.50000114.2R1150 A1151 T1152 K1156R1150-T1154 HydrophobicContact CG-CG2 4.46Å; R1150-T1154 WeakPolarHBondContact O-CB 3.39Å; R1150-T1154 VanDerWaalsContact O-CG2 3.32Å; R1150-T1154 WeakPolarHBondContact O-CG2 3.41Å; R1150-T1154 PolarHBondContact O-N 2.87Å; R1150-T1154 PolarHBondContact O-OG1 2.97Å; A1151-T1154 PolarHBondContact O-N 2.71Å; A1151-T1154 PolarHBondContact O-OG1 2.89Å; T1152-T1154 PolarHBondContact O-N 2.91Å; T1154-K1156 PolarHBondContact O-N 3.39Å
1155T86.7Confident85Confident69 Ų6970.7 Ų70.742%0.42338%0.376SS..PPolyproline II helixtrans-62.9123.6-178.5-69.30000111.3A1151A1151-T1155 WeakPolarHBondContact O-CB 3.26Å; A1151-T1155 PolarHBondContact O-N 3.28Å; A1151-T1155 VanDerWaalsContact O-N 3.09Å; A1151-T1155 PolarHBondContact O-OG1 3.34Å
1156K80.5Confident84.6Confident198 Ų19875 Ų7586%0.86140%0.395SS*.PPolyproline II helixtrans-95.2125.1175.9-66.3-171.7180-177.30110.7T1154T1154-K1156 PolarHBondContact O-N 3.39Å
1157V79.2Confident84.5Confident41 Ų4179.7 Ų79.725%0.24842%0.417CS..PPolyproline II helixtrans-71.8141.8171.1-170.20000109.1S1161 E1165 F1166 Q1169V1157-S1161 WeakPolarHBondContact CG1-OG 3.49Å; V1157-E1165 HydrophobicContact CG1-CB 4.29Å; V1157-F1166 HydrophobicContact CB-CD1 4.05Å; V1157-F1166 HydrophobicContact CB-CE1 3.86Å; V1157-F1166 HydrophobicContact CB-CZ 4.26Å; V1157-F1166 HydrophobicContact CG1-CD1 4.14Å; V1157-F1166 HydrophobicContact CG1-CD2 4.21Å; V1157-F1166 HydrophobicContact CG1-CE1 4.02Å; V1157-F1166 HydrophobicContact CG1-CE2 4.09Å; V1157-F1166 HydrophobicContact CG1-CG 4.24Å; V1157-F1166 HydrophobicContact CG1-CZ 3.99Å; V1157-F1166 HydrophobicContact CG2-CD1 4.37Å; V1157-Q1169 HydrophobicContact CG2-CB 3.5Å; V1157-Q1169 HydrophobicContact CG2-CG 3.58Å
1158K80.2Confident84.3Confident156 Ų15679.7 Ų79.768%0.67842%0.415SS*.PPolyproline II helixtrans-67.7146.2-179.9-65.5179.5180171.90110.1N1160 S1161K1158-N1160 VanDerWaalsContact CB-OD1 3.27Å; K1158-N1160 WeakPolarHBondContact CB-OD1 3.28Å; K1158-N1160 PolarHBondContact O-N 2.91Å; K1158-S1161 WeakPolarHBondContact O-CB 3.41Å; K1158-S1161 PolarHBondContact O-N 3.01Å; K1158-S1161 PolarHBondContact O-OG 2.7Å
1159A73.2Confident84.2Confident107 Ų10780.4 Ų80.488%0.88442%0.418SS*.THydrogen-bonded Turntrans-60.9-20.3-177.300000114.4
1160N78.1Confident83.9Confident138 Ų13882.8 Ų82.874%0.73843%0.43SS*.THydrogen-bonded Turntrans-101.110.1178.563.4-31.2000114K1158K1158-N1160 VanDerWaalsContact CB-OD1 3.27Å; K1158-N1160 WeakPolarHBondContact CB-OD1 3.28Å; K1158-N1160 PolarHBondContact O-N 2.91Å
1161S77.6Confident83.9Confident25 Ų2586.1 Ų86.118%0.17545%0.447CS..  trans-69.1153.2176.5-80.40000112.3V1157 K1158 E1165 F1166V1157-S1161 WeakPolarHBondContact CG1-OG 3.49Å; K1158-S1161 WeakPolarHBondContact O-CB 3.41Å; K1158-S1161 PolarHBondContact O-N 3.01Å; K1158-S1161 PolarHBondContact O-OG 2.7Å; S1161-E1165 WeakPolarHBondContact CB-OE2 3.5Å; S1161-E1165 PolarHBondContact OG-OE2 2.87Å; S1161-F1166 WeakPolarHBondContact O-CE2 3.15Å
1162V84Confident83.9Confident94 Ų9484.3 Ų84.357%0.5743%0.431SS*.  trans-71.4148.7178.7-157.50000109.5Q1164 E1165 F1166V1162-Q1164 PolarHBondContact O-N 3.3Å; V1162-E1165 WeakPolarHBondContact O-CB 3.42Å; V1162-E1165 PolarHBondContact O-N 3.48Å; V1162-F1166 PolarHBondContact O-N 2.66Å
1163K81.9Confident83.9Confident152 Ų15285.3 Ų85.366%0.66143%0.434SS*.Hα-helixtrans-48.6-38.1179.2-169.9-174.3179.3-151.30113.4E1165 F1166 E1167K1163-E1165 VanDerWaalsContact C-N 3.29Å; K1163-E1165 PolarHBondContact O-N 3.38Å; K1163-F1166 WeakPolarHBondContact O-CB 3.44Å; K1163-F1166 PolarHBondContact O-N 3.02Å; K1163-E1167 WeakPolarHBondContact CE-OE1 3.32Å; K1163-E1167 IonicContact NZ-OE1 3.82Å; K1163-E1167 PolarHBondContact NZ-OE1 3.41Å; K1163-E1167 PolarHBondContact O-N 2.96Å
1164Q81.7Confident84Confident135 Ų13590 Ų9063%0.63145%0.452SS*.Hα-helixtrans-60.9-32.8176.6-69.8177.7-11.100113.5V1162 K1168V1162-Q1164 PolarHBondContact O-N 3.3Å; Q1164-K1168 WeakPolarHBondContact O-CB 3.41Å; Q1164-K1168 WeakPolarHBondContact O-CG 3.47Å; Q1164-K1168 PolarHBondContact O-N 3.5Å
1165E81.5Confident84.2Confident100 Ų10086.6 Ų86.647%0.46743%0.431SS..Hα-helixtrans-71.7-35.4176.4-65.4-176172.500111.5V1157 S1161 V1162 K1163 Q1169V1157-E1165 HydrophobicContact CG1-CB 4.29Å; S1161-E1165 WeakPolarHBondContact CB-OE2 3.5Å; S1161-E1165 PolarHBondContact OG-OE2 2.87Å; V1162-E1165 WeakPolarHBondContact O-CB 3.42Å; V1162-E1165 PolarHBondContact O-N 3.48Å; K1163-E1165 VanDerWaalsContact C-N 3.29Å; K1163-E1165 PolarHBondContact O-N 3.38Å; E1165-Q1169 WeakPolarHBondContact O-CB 3.32Å; E1165-Q1169 PolarHBondContact O-N 3.07Å
1166F83Confident84.5Confident91 Ų9183.3 Ų83.340%0.39941%0.411SS..Hα-helixtrans-65.1-46.1172.8-74.9-86.4000111.5V1157 S1161 V1162 K1163 Q1169 D1170V1157-F1166 HydrophobicContact CB-CD1 4.05Å; V1157-F1166 HydrophobicContact CB-CE1 3.86Å; V1157-F1166 HydrophobicContact CB-CZ 4.26Å; V1157-F1166 HydrophobicContact CG1-CD1 4.14Å; V1157-F1166 HydrophobicContact CG1-CD2 4.21Å; V1157-F1166 HydrophobicContact CG1-CE1 4.02Å; V1157-F1166 HydrophobicContact CG1-CE2 4.09Å; V1157-F1166 HydrophobicContact CG1-CG 4.24Å; V1157-F1166 HydrophobicContact CG1-CZ 3.99Å; V1157-F1166 HydrophobicContact CG2-CD1 4.37Å; S1161-F1166 WeakPolarHBondContact O-CE2 3.15Å; V1162-F1166 PolarHBondContact O-N 2.66Å; K1163-F1166 WeakPolarHBondContact O-CB 3.44Å; K1163-F1166 PolarHBondContact O-N 3.02Å; F1166-Q1169 PolarHBondContact O-N 3.37Å; F1166-D1170 WeakPolarHBondContact O-CB 3.45Å; F1166-D1170 PolarHBondContact O-N 3.36Å
1167E86.5Confident85Confident98 Ų9873.9 Ų73.946%0.45837%0.37SS..Hα-helixtrans-61.1-45.7177.8-71.5170.4179.200111.4K1163 Q1169 D1170 E1171K1163-E1167 WeakPolarHBondContact CE-OE1 3.32Å; K1163-E1167 IonicContact NZ-OE1 3.82Å; K1163-E1167 PolarHBondContact NZ-OE1 3.41Å; K1163-E1167 PolarHBondContact O-N 2.96Å; E1167-Q1169 PolarHBondContact O-N 2.69Å; E1167-D1170 PolarHBondContact O-N 3.11Å; E1167-E1171 WeakPolarHBondContact O-CB 3.4Å; E1167-E1171 PolarHBondContact O-N 2.9Å
1168K86.2Confident85.5Confident98 Ų9878.1 Ų78.143%0.42638%0.381SS..Hα-helixtrans-59.8-43174.7-77.3-178.4177.6-173.80112.6Y1117 Q1164 E1171 L1172Y1117-K1168 HydrophobicContact CD2-CB 3.88Å; Y1117-K1168 HydrophobicContact CD2-CD 4.31Å; Y1117-K1168 HydrophobicContact CD2-CG 4.13Å; Y1117-K1168 HydrophobicContact CE1-CG 4.47Å; Y1117-K1168 HydrophobicContact CE2-CB 3.68Å; Y1117-K1168 HydrophobicContact CE2-CD 4.48Å; Y1117-K1168 HydrophobicContact CE2-CG 3.85Å; Y1117-K1168 WeakPolarHBondContact CE2-O 3.13Å; Y1117-K1168 HydrophobicContact CG-CD 4.36Å; Q1164-K1168 WeakPolarHBondContact O-CB 3.41Å; Q1164-K1168 WeakPolarHBondContact O-CG 3.47Å; Q1164-K1168 PolarHBondContact O-N 3.5Å; K1168-E1171 PolarHBondContact O-N 3.1Å; K1168-L1172 WeakPolarHBondContact O-CG 3.39Å; K1168-L1172 PolarHBondContact O-N 2.85Å
1169Q87.8Confident86.1Confident27 Ų2770.7 Ų70.713%0.12635%0.349CS..Hα-helixtrans-68.2-38.2179.2-173.461.621.400112T1152 V1157 E1165 F1166 E1167 L1172 K1173T1152-Q1169 PolarHBondContact O-NE2 3.03Å; V1157-Q1169 HydrophobicContact CG2-CB 3.5Å; V1157-Q1169 HydrophobicContact CG2-CG 3.58Å; E1165-Q1169 WeakPolarHBondContact O-CB 3.32Å; E1165-Q1169 PolarHBondContact O-N 3.07Å; F1166-Q1169 PolarHBondContact O-N 3.37Å; E1167-Q1169 PolarHBondContact O-N 2.69Å; Q1169-L1172 PolarHBondContact O-N 3.16Å; Q1169-K1173 WeakPolarHBondContact O-CG 3.5Å; Q1169-K1173 PolarHBondContact O-N 2.95Å
1170D87.3Confident87Confident51 Ų5165.7 Ų65.727%0.27331%0.307SS..Hα-helixtrans-64.2-41175.5-173.350.7000111.6F1166 E1167 K1173 R1174F1166-D1170 WeakPolarHBondContact O-CB 3.45Å; F1166-D1170 PolarHBondContact O-N 3.36Å; E1167-D1170 PolarHBondContact O-N 3.11Å; D1170-K1173 PolarHBondContact O-N 3.01Å; D1170-R1174 PolarHBondContact O-N 3.48Å; D1170-R1174 IonicContact OD1-CZ 3.66Å; D1170-R1174 IonicContact OD1-NH2 3.6Å; D1170-R1174 IonicContact OD2-CZ 3.62Å; D1170-R1174 IonicContact OD2-NH1 3.63Å; D1170-R1174 PolarHBondContact OD2-NH1 3.27Å; D1170-R1174 IonicContact OD2-NH2 2.81Å; D1170-R1174 PolarHBondContact OD2-NH2 2.76Å
1171E89.6Confident87.6Confident95 Ų9559.9 Ų59.944%0.44428%0.278SS..Hα-helixtrans-63.6-45.3174-169.8172.1172.400112.3Y1117 M1121 E1167 K1168 K1173 R1174 S1175Y1117-E1171 PolarHBondContact OH-OE1 3.16Å; Y1117-E1171 PolarHBondContact OH-OE2 3.29Å; M1121-E1171 HydrophobicContact CE-CG 3.91Å; M1121-E1171 HydrophobicContact SD-CG 4.38Å; E1167-E1171 WeakPolarHBondContact O-CB 3.4Å; E1167-E1171 PolarHBondContact O-N 2.9Å; K1168-E1171 PolarHBondContact O-N 3.1Å; E1171-K1173 VanDerWaalsContact C-N 3.34Å; E1171-K1173 PolarHBondContact O-N 3.46Å; E1171-R1174 PolarHBondContact O-N 2.88Å; E1171-S1175 WeakPolarHBondContact O-CB 3.28Å; E1171-S1175 PolarHBondContact O-N 3.08Å
1172L91.2Very high88.1Confident10 Ų1059.2 Ų59.25%0.05228%0.275CS..Hα-helixtrans-58.4-44.2173.6-77.5175.6000111.9Y1117 K1120 M1121 F1124 T1152 K1168 Q1169 S1175 A1176Y1117-L1172 HydrophobicContact CD2-CD1 3.74Å; Y1117-L1172 HydrophobicContact CD2-CD2 3.88Å; Y1117-L1172 HydrophobicContact CD2-CG 3.61Å; Y1117-L1172 HydrophobicContact CE2-CD1 4.31Å; Y1117-L1172 HydrophobicContact CE2-CD2 4.09Å; Y1117-L1172 HydrophobicContact CE2-CG 3.73Å; K1120-L1172 HydrophobicContact CB-CD2 3.76Å; K1120-L1172 HydrophobicContact CD-CD2 4.39Å; M1121-L1172 HydrophobicContact CG-CD2 4.06Å; M1121-L1172 HydrophobicContact SD-CD2 3.97Å; F1124-L1172 HydrophobicContact CE2-CD2 3.81Å; T1152-L1172 HydrophobicContact CG2-CB 3.88Å; K1168-L1172 WeakPolarHBondContact O-CG 3.39Å; K1168-L1172 PolarHBondContact O-N 2.85Å; Q1169-L1172 PolarHBondContact O-N 3.16Å; L1172-S1175 PolarHBondContact O-N 3.37Å; L1172-A1176 VanDerWaalsContact O-CB 3.26Å; L1172-A1176 WeakPolarHBondContact O-CB 3.37Å; L1172-A1176 PolarHBondContact O-N 3.45Å
1173K91.1Very high88.4Confident28 Ų2854.8 Ų54.812%0.12225%0.248CC..Hα-helixtrans-59.2-48.4177-77179.5180-175.70111.2Q1169 D1170 E1171 S1175 A1176 M1177 E1207 L1208Q1169-K1173 WeakPolarHBondContact O-CG 3.5Å; Q1169-K1173 PolarHBondContact O-N 2.95Å; D1170-K1173 PolarHBondContact O-N 3.01Å; E1171-K1173 VanDerWaalsContact C-N 3.34Å; E1171-K1173 PolarHBondContact O-N 3.46Å; K1173-S1175 PolarHBondContact O-N 2.95Å; K1173-A1176 PolarHBondContact O-N 3.44Å; K1173-M1177 WeakPolarHBondContact O-CB 3.28Å; K1173-M1177 VanDerWaalsContact O-CG 3.22Å; K1173-M1177 WeakPolarHBondContact O-CG 3.29Å; K1173-M1177 PolarHBondContact O-N 3.28Å; K1173-E1207 IonicContact NZ-OE1 3.87Å; K1173-E1207 PolarHBondContact NZ-OE1 3.42Å; K1173-E1207 IonicContact NZ-OE2 3.42Å; K1173-L1208 HydrophobicContact CD-CD2 4.44Å
1174R90.2Very high88.7Confident102 Ų10248.8 Ų48.839%0.38522%0.223SC..Hα-helixtrans-61.8-43.8177.9-69.6-164.5-17391.514.6111.9D1170 E1171 M1177 R1178 I1211 I1215D1170-R1174 PolarHBondContact O-N 3.48Å; D1170-R1174 IonicContact OD1-CZ 3.66Å; D1170-R1174 IonicContact OD1-NH2 3.6Å; D1170-R1174 IonicContact OD2-CZ 3.62Å; D1170-R1174 IonicContact OD2-NH1 3.63Å; D1170-R1174 PolarHBondContact OD2-NH1 3.27Å; D1170-R1174 IonicContact OD2-NH2 2.81Å; D1170-R1174 PolarHBondContact OD2-NH2 2.76Å; E1171-R1174 PolarHBondContact O-N 2.88Å; R1174-M1177 PolarHBondContact O-N 3.39Å; R1174-R1178 PolarHBondContact O-N 2.94Å; R1174-R1178 VanDerWaalsContact O-N 3.09Å; R1174-I1211 HydrophobicContact CG-CG2 3.97Å; R1174-I1215 WeakPolarHBondContact O-CD1 3.17Å
1175S90.4Very high88.9Confident4 Ų447 Ų473%0.02822%0.221CC..Hα-helixtrans-66.5-43.8-179.8-164.50000112.2M1121 E1171 L1172 K1173 M1177 R1178 A1179M1121-S1175 VanDerWaalsContact SD-CB 3.51Å; E1171-S1175 WeakPolarHBondContact O-CB 3.28Å; E1171-S1175 PolarHBondContact O-N 3.08Å; L1172-S1175 PolarHBondContact O-N 3.37Å; K1173-S1175 PolarHBondContact O-N 2.95Å; S1175-M1177 VanDerWaalsContact C-N 3.3Å; S1175-M1177 PolarHBondContact O-N 3.26Å; S1175-R1178 WeakPolarHBondContact O-CB 3.46Å; S1175-R1178 PolarHBondContact O-N 3.17Å; S1175-R1178 VanDerWaalsContact O-N 3.16Å; S1175-A1179 PolarHBondContact O-N 3.3Å; S1175-A1179 VanDerWaalsContact O-N 3.13Å
1176A92.7Very high88.8Confident0 Ų042.6 Ų42.60%020%0.201CC..Hα-helixtrans-59.5-40172.800000111.8F1124 L1149 T1152 L1172 K1173 R1178 A1179 V1180F1124-A1176 HydrophobicContact CD2-CB 4.45Å; F1124-A1176 HydrophobicContact CE1-CB 4.22Å; F1124-A1176 HydrophobicContact CE2-CB 4Å; F1124-A1176 HydrophobicContact CZ-CB 3.9Å; L1149-A1176 HydrophobicContact CD2-CB 3.95Å; T1152-A1176 HydrophobicContact CG2-CB 4.32Å; L1172-A1176 VanDerWaalsContact O-CB 3.26Å; L1172-A1176 WeakPolarHBondContact O-CB 3.37Å; L1172-A1176 PolarHBondContact O-N 3.45Å; K1173-A1176 PolarHBondContact O-N 3.44Å; A1176-R1178 VanDerWaalsContact C-N 3.34Å; A1176-R1178 PolarHBondContact O-N 2.93Å; A1176-A1179 WeakPolarHBondContact O-CB 3.26Å; A1176-A1179 PolarHBondContact O-N 2.99Å; A1176-V1180 WeakPolarHBondContact O-CG2 3.37Å; A1176-V1180 PolarHBondContact O-N 2.88Å
1177M91.2Very high88.2Confident0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-64.8-34.4176.1-73.5-67.1178.900113.3C1153 K1173 R1174 S1175 V1180 A1181 I1202 L1208 I1211 F1212 I1215C1153-M1177 HydrophobicContact CB-CE 4.36Å; K1173-M1177 WeakPolarHBondContact O-CB 3.28Å; K1173-M1177 VanDerWaalsContact O-CG 3.22Å; K1173-M1177 WeakPolarHBondContact O-CG 3.29Å; K1173-M1177 PolarHBondContact O-N 3.28Å; R1174-M1177 PolarHBondContact O-N 3.39Å; S1175-M1177 VanDerWaalsContact C-N 3.3Å; S1175-M1177 PolarHBondContact O-N 3.26Å; M1177-V1180 PolarHBondContact O-N 2.93Å; M1177-A1181 WeakPolarHBondContact O-CB 3.44Å; M1177-A1181 PolarHBondContact O-N 3.09Å; M1177-I1202 HydrophobicContact CE-CD1 4.19Å; M1177-I1202 HydrophobicContact CE-CG1 3.96Å; M1177-I1202 HydrophobicContact CE-CG2 4.16Å; M1177-I1202 HydrophobicContact SD-CD1 3.99Å; M1177-I1202 HydrophobicContact SD-CG1 4.37Å; M1177-I1202 HydrophobicContact SD-CG2 4.32Å; M1177-L1208 HydrophobicContact CE-CB 3.7Å; M1177-L1208 HydrophobicContact CE-CD1 4.18Å; M1177-L1208 HydrophobicContact CE-CD2 3.64Å; M1177-L1208 HydrophobicContact CE-CG 4.02Å; M1177-I1211 HydrophobicContact CB-CG2 4.25Å; M1177-I1211 HydrophobicContact CG-CG2 4.02Å; M1177-F1212 HydrophobicContact SD-CB 4.3Å; M1177-F1212 HydrophobicContact SD-CD2 3.93Å; M1177-I1215 HydrophobicContact CB-CD1 3.44Å; M1177-I1215 VanDerWaalsContact CB-CD1 3.44Å
1178R91.1Very high87.4Confident130 Ų13041 Ų4149%0.49120%0.203SC..Hα-helixtrans-63.9-42.6171.4-67.3-177.3-170.5120.3-1.8111.4R1174 S1175 A1176 A1181 A1182 I1215R1174-R1178 PolarHBondContact O-N 2.94Å; R1174-R1178 VanDerWaalsContact O-N 3.09Å; S1175-R1178 WeakPolarHBondContact O-CB 3.46Å; S1175-R1178 PolarHBondContact O-N 3.17Å; S1175-R1178 VanDerWaalsContact O-N 3.16Å; A1176-R1178 VanDerWaalsContact C-N 3.34Å; A1176-R1178 PolarHBondContact O-N 2.93Å; R1178-A1181 PolarHBondContact O-N 2.66Å; R1178-A1182 WeakPolarHBondContact O-CB 3.38Å; R1178-A1182 PolarHBondContact O-N 2.89Å; R1178-I1215 HydrophobicContact CG-CD1 3.93Å; R1178-I1215 HydrophobicContact CG-CG1 4.22Å; R1178-I1215 HydrophobicContact CG-CG2 3.87Å
1179A92.4Very high86.7Confident0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-61.4-43.3173.900000111.7F1124 L1127 V1128 L1149 S1175 A1176 A1182 L1183F1124-A1179 HydrophobicContact CB-CB 4.38Å; L1127-A1179 HydrophobicContact CB-CB 4.25Å; L1127-A1179 HydrophobicContact CD1-CB 4.42Å; V1128-A1179 HydrophobicContact CG2-CB 4.24Å; L1149-A1179 HydrophobicContact CD2-CB 4.13Å; S1175-A1179 PolarHBondContact O-N 3.3Å; S1175-A1179 VanDerWaalsContact O-N 3.13Å; A1176-A1179 WeakPolarHBondContact O-CB 3.26Å; A1176-A1179 PolarHBondContact O-N 2.99Å; A1179-A1182 PolarHBondContact O-N 3.33Å; A1179-L1183 VanDerWaalsContact O-CG 3.29Å; A1179-L1183 WeakPolarHBondContact O-CG 3.27Å; A1179-L1183 PolarHBondContact O-N 3.47Å
1180V91.9Very high85.8Confident1 Ų141.1 Ų41.11%0.00621%0.205CC..Hα-helixtrans-60.5-45.7175173.10000111.6L1149 A1176 M1177 A1182 L1183 L1184 M1195 F1198 I1202 F1212L1149-V1180 HydrophobicContact CB-CG2 4.44Å; L1149-V1180 HydrophobicContact CD1-CG2 4.16Å; A1176-V1180 WeakPolarHBondContact O-CG2 3.37Å; A1176-V1180 PolarHBondContact O-N 2.88Å; M1177-V1180 PolarHBondContact O-N 2.93Å; V1180-A1182 VanDerWaalsContact C-N 3.31Å; V1180-A1182 PolarHBondContact O-N 3.34Å; V1180-L1183 PolarHBondContact O-N 3.19Å; V1180-L1184 HydrophobicContact CG1-CD1 4.22Å; V1180-L1184 WeakPolarHBondContact O-CG 3.43Å; V1180-L1184 PolarHBondContact O-N 3.05Å; V1180-M1195 HydrophobicContact CG1-CE 3.8Å; V1180-F1198 HydrophobicContact CG2-CD1 4.34Å; V1180-F1198 HydrophobicContact CG2-CE1 3.55Å; V1180-F1198 HydrophobicContact CG2-CZ 4.36Å; V1180-I1202 HydrophobicContact CG1-CD1 3.96Å; V1180-F1212 HydrophobicContact CG1-CE2 4.1Å
1181A90Very high84.8Confident16 Ų1643.3 Ų43.313%0.13221%0.212CC..Hα-helixtrans-59.8-42.6177.300000111.4M1177 R1178 L1184 T1185 F1212 I1215M1177-A1181 WeakPolarHBondContact O-CB 3.44Å; M1177-A1181 PolarHBondContact O-N 3.09Å; R1178-A1181 PolarHBondContact O-N 2.66Å; A1181-L1184 PolarHBondContact O-N 3.38Å; A1181-T1185 WeakPolarHBondContact O-CG2 3.33Å; A1181-T1185 PolarHBondContact O-N 3.02Å; A1181-F1212 HydrophobicContact CB-CE2 4Å; A1181-I1215 HydrophobicContact CB-CG2 4.27Å
1182A89.5Confident83.8Confident12 Ų1239.3 Ų39.310%0.09920%0.195CC..Hα-helixtrans-65.2-42.9176.100000112.3V1128 S1131 R1178 A1179 V1180 L1184 T1185V1128-A1182 HydrophobicContact CB-CB 4.23Å; V1128-A1182 HydrophobicContact CG1-CB 4.09Å; V1128-A1182 HydrophobicContact CG2-CB 4.03Å; S1131-A1182 WeakPolarHBondContact OG-CB 3.5Å; R1178-A1182 WeakPolarHBondContact O-CB 3.38Å; R1178-A1182 PolarHBondContact O-N 2.89Å; A1179-A1182 PolarHBondContact O-N 3.33Å; V1180-A1182 VanDerWaalsContact C-N 3.31Å; V1180-A1182 PolarHBondContact O-N 3.34Å; A1182-L1184 VanDerWaalsContact C-N 3.3Å; A1182-L1184 PolarHBondContact O-N 3.29Å; A1182-T1185 WeakPolarHBondContact O-CB 3.36Å; A1182-T1185 PolarHBondContact O-N 2.98Å; A1182-T1185 PolarHBondContact O-OG1 3.21Å
1183L89.9Confident82.9Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-60.9-36.3175.7-69.8174.5000112.7V1138 L1142 L1149 A1179 V1180 T1185 I1186 A1189 M1195V1138-L1183 HydrophobicContact CG1-CD2 3.33Å; L1142-L1183 HydrophobicContact CD1-CB 4.27Å; L1142-L1183 HydrophobicContact CD1-CD1 4.08Å; L1142-L1183 HydrophobicContact CD1-CD2 4.18Å; L1142-L1183 HydrophobicContact CD1-CG 4.41Å; L1149-L1183 HydrophobicContact CD1-CD1 3.66Å; A1179-L1183 VanDerWaalsContact O-CG 3.29Å; A1179-L1183 WeakPolarHBondContact O-CG 3.27Å; A1179-L1183 PolarHBondContact O-N 3.47Å; V1180-L1183 PolarHBondContact O-N 3.19Å; L1183-T1185 PolarHBondContact O-N 3Å; L1183-I1186 HydrophobicContact CD2-CD1 4Å; L1183-I1186 WeakPolarHBondContact O-CB 3.39Å; L1183-I1186 PolarHBondContact O-N 3.48Å; L1183-I1186 VanDerWaalsContact O-N 3.16Å; L1183-A1189 WeakPolarHBondContact O-CB 3.23Å; L1183-M1195 HydrophobicContact CB-CE 4.06Å
1184L87.5Confident82.2Confident27 Ų2744.2 Ų44.214%0.14123%0.227CC..Hα-helixtrans-67.8-17.9175.8-71.8168.2000113.4V1180 A1181 A1182 I1186 M1195 F1212V1180-L1184 HydrophobicContact CG1-CD1 4.22Å; V1180-L1184 WeakPolarHBondContact O-CG 3.43Å; V1180-L1184 PolarHBondContact O-N 3.05Å; A1181-L1184 PolarHBondContact O-N 3.38Å; A1182-L1184 VanDerWaalsContact C-N 3.3Å; A1182-L1184 PolarHBondContact O-N 3.29Å; L1184-I1186 VanDerWaalsContact C-N 3.25Å; L1184-I1186 PolarHBondContact O-N 2.84Å; L1184-M1195 HydrophobicContact CD1-CE 4.17Å; L1184-M1195 HydrophobicContact CD2-CE 3.43Å; L1184-M1195 VanDerWaalsContact CD2-CE 3.43Å; L1184-M1195 HydrophobicContact CD2-CG 4.02Å; L1184-M1195 HydrophobicContact CG-CE 3.39Å; L1184-F1212 HydrophobicContact CD1-CE2 4.24Å; L1184-F1212 HydrophobicContact CD1-CZ 3.63Å
1185T85.4Confident81.8Confident98 Ų9839.4 Ų39.460%0.60121%0.209SC*.THydrogen-bonded Turntrans-75.3-15.9173.571.60000113A1181 A1182 L1183 P1187A1181-T1185 WeakPolarHBondContact O-CG2 3.33Å; A1181-T1185 PolarHBondContact O-N 3.02Å; A1182-T1185 WeakPolarHBondContact O-CB 3.36Å; A1182-T1185 PolarHBondContact O-N 2.98Å; A1182-T1185 PolarHBondContact O-OG1 3.21Å; L1183-T1185 PolarHBondContact O-N 3Å; T1185-P1187 WeakPolarHBondContact O-CD 3.36Å
1186I79.8Confident81.2Confident6 Ų641 Ų413%0.03122%0.22CC..SBendtrans-72.2125179-58.3174.3000108.8P1135 V1138 L1139 L1183 L1184 E1188 A1189P1135-I1186 HydrophobicContact CB-CG1 4.29Å; P1135-I1186 HydrophobicContact CB-CG2 3.96Å; V1138-I1186 HydrophobicContact CB-CD1 3.91Å; V1138-I1186 HydrophobicContact CG1-CD1 3.61Å; L1139-I1186 HydrophobicContact CB-CG2 4.16Å; L1139-I1186 HydrophobicContact CD1-CG2 4.31Å; L1183-I1186 HydrophobicContact CD2-CD1 4Å; L1183-I1186 WeakPolarHBondContact O-CB 3.39Å; L1183-I1186 PolarHBondContact O-N 3.48Å; L1183-I1186 VanDerWaalsContact O-N 3.16Å; L1184-I1186 VanDerWaalsContact C-N 3.25Å; L1184-I1186 PolarHBondContact O-N 2.84Å; I1186-E1188 PolarHBondContact O-N 3Å; I1186-A1189 HydrophobicContact CB-CB 4.26Å; I1186-A1189 VanDerWaalsContact O-CB 3.32Å; I1186-A1189 WeakPolarHBondContact O-CB 3.39Å; I1186-A1189 PolarHBondContact O-N 3.38Å
1187P70.5Confident80.7Confident98 Ų9845 Ų4564%0.63624%0.238SC*.THydrogen-bonded Turntrans-52.5130.1175.5-26.134.3000111T1185 A1189T1185-P1187 WeakPolarHBondContact O-CD 3.36Å; P1187-A1189 VanDerWaalsContact C-N 3.33Å; P1187-A1189 PolarHBondContact O-N 3.17Å
1188E70.2Confident80.5Confident58 Ų5845 Ų4527%0.27124%0.239SC..THydrogen-bonded Turntrans74.62.5-179.1-46.7-171.5145.900117.7R285 L1139 I1186 E1190 K1191R285-E1188 IonicContact CZ-OE1 2.74Å; R285-E1188 IonicContact CZ-OE2 2.69Å; R285-E1188 IonicContact NH1-OE1 2.65Å; R285-E1188 IonicContact NH1-OE2 3.76Å; R285-E1188 PolarHBondContact NH1-OE2 3.37Å; R285-E1188 IonicContact NH2-OE1 3.62Å; R285-E1188 PolarHBondContact NH2-OE1 3.31Å; R285-E1188 IonicContact NH2-OE2 3.04Å; R285-E1188 PolarHBondContact NH2-OE2 3.39Å; L1139-E1188 HydrophobicContact CD2-CB 4.21Å; I1186-E1188 PolarHBondContact O-N 3Å; E1188-E1190 PolarHBondContact O-N 2.97Å; E1188-K1191 HydrophobicContact CB-CD 4.04Å; E1188-K1191 HydrophobicContact CB-CG 4.32Å; E1188-K1191 HydrophobicContact CG-CD 4.22Å; E1188-K1191 WeakPolarHBondContact O-CB 3.31Å; E1188-K1191 PolarHBondContact O-N 3.37Å; E1188-K1191 IonicContact OE1-NZ 3.6Å; E1188-K1191 PolarHBondContact OE1-NZ 3.47Å
1189A71.6Confident80.2Confident0 Ų042.1 Ų42.10%023%0.231CC..G310 helixtrans-56.7-34.3171.400000112.1L1139 L1142 L1183 I1186 P1187 K1191 S1192L1139-A1189 HydrophobicContact CD1-CB 4.36Å; L1142-A1189 HydrophobicContact CD2-CB 3.84Å; L1183-A1189 WeakPolarHBondContact O-CB 3.23Å; I1186-A1189 HydrophobicContact CB-CB 4.26Å; I1186-A1189 VanDerWaalsContact O-CB 3.32Å; I1186-A1189 WeakPolarHBondContact O-CB 3.39Å; I1186-A1189 PolarHBondContact O-N 3.38Å; P1187-A1189 VanDerWaalsContact C-N 3.33Å; P1187-A1189 PolarHBondContact O-N 3.17Å; A1189-K1191 PolarHBondContact O-N 3.34Å; A1189-S1192 WeakPolarHBondContact O-CB 3.33Å; A1189-S1192 PolarHBondContact O-N 3.4Å; A1189-S1192 VanDerWaalsContact O-N 3.1Å
1190E68.8Low79.7Confident127 Ų12744 Ų4459%0.59324%0.244SC*.G310 helixtrans-61.4-26.1176-59.4-179.316900113.2E1188 S1192 S1196E1188-E1190 PolarHBondContact O-N 2.97Å; E1190-S1192 PolarHBondContact O-N 2.63Å; E1190-S1196 PolarHBondContact O-OG 2.96Å
1191K65.9Low79.4Confident97 Ų9746.9 Ų46.942%0.42226%0.257SS..G310 helixtrans-74.6-14178.2-60-176.2-174.5171.30112.6M204 E1188 A1189 P1193M204-K1191 HydrophobicContact CE-CB 4.32Å; E1188-K1191 HydrophobicContact CB-CD 4.04Å; E1188-K1191 HydrophobicContact CB-CG 4.32Å; E1188-K1191 HydrophobicContact CG-CD 4.22Å; E1188-K1191 WeakPolarHBondContact O-CB 3.31Å; E1188-K1191 PolarHBondContact O-N 3.37Å; E1188-K1191 IonicContact OE1-NZ 3.6Å; E1188-K1191 PolarHBondContact OE1-NZ 3.47Å; A1189-K1191 PolarHBondContact O-N 3.34Å; K1191-P1193 WeakPolarHBondContact O-CD 3.27Å
1192S67.9Low79.3Confident12 Ų1246.3 Ų46.38%0.08425%0.252CS..  trans-69.7123.5173.9163.40000110D1143 A1189 E1190 L1194 M1195 S1196D1143-S1192 PolarHBondContact OD1-OG 2.9Å; A1189-S1192 WeakPolarHBondContact O-CB 3.33Å; A1189-S1192 PolarHBondContact O-N 3.4Å; A1189-S1192 VanDerWaalsContact O-N 3.1Å; E1190-S1192 PolarHBondContact O-N 2.63Å; S1192-L1194 VanDerWaalsContact C-N 3.29Å; S1192-L1194 PolarHBondContact O-N 3.46Å; S1192-L1194 PolarHBondContact OG-N 3.45Å; S1192-M1195 PolarHBondContact O-N 2.91Å; S1192-M1195 PolarHBondContact OG-N 3.49Å; S1192-S1196 WeakPolarHBondContact O-CB 3.48Å; S1192-S1196 PolarHBondContact O-N 3.36Å
1193P73.3Confident78.9Confident85 Ų8549.8 Ų49.855%0.55228%0.276SS*.Hα-helixtrans-58.4-39176.4-2534.5000113.1K1191 E1197K1191-P1193 WeakPolarHBondContact O-CD 3.27Å; P1193-E1197 VanDerWaalsContact O-CB 3.32Å; P1193-E1197 WeakPolarHBondContact O-CB 3.22Å; P1193-E1197 PolarHBondContact O-N 2.87Å
1194L77.2Confident78.6Confident55 Ų5554.1 Ų54.129%0.28831%0.306SS..Hα-helixtrans-70.3-36.9-179.7-74.3173.6000112.2D1143 V1146 R1150 S1192 F1198D1143-L1194 HydrophobicContact CB-CD1 3.71Å; V1146-L1194 HydrophobicContact CG1-CB 4.42Å; R1150-L1194 PolarHBondContact NH2-O 3.05Å; S1192-L1194 VanDerWaalsContact C-N 3.29Å; S1192-L1194 PolarHBondContact O-N 3.46Å; S1192-L1194 PolarHBondContact OG-N 3.45Å; L1194-F1198 WeakPolarHBondContact O-CB 3.49Å; L1194-F1198 PolarHBondContact O-N 3.18Å
1195M81.8Confident78.5Confident2 Ų255.8 Ų55.81%0.0132%0.315CS..Hα-helixtrans-68.1-46.4175.3-167.962176.700111.1L1142 V1146 V1180 L1183 L1184 S1192 E1197 F1198 Q1199L1142-M1195 HydrophobicContact CD2-CB 4.26Å; V1146-M1195 HydrophobicContact CG2-CB 4.45Å; V1146-M1195 HydrophobicContact CG2-SD 3.54Å; V1146-M1195 VanDerWaalsContact CG2-SD 3.54Å; V1180-M1195 HydrophobicContact CG1-CE 3.8Å; L1183-M1195 HydrophobicContact CB-CE 4.06Å; L1184-M1195 HydrophobicContact CD1-CE 4.17Å; L1184-M1195 HydrophobicContact CD2-CE 3.43Å; L1184-M1195 VanDerWaalsContact CD2-CE 3.43Å; L1184-M1195 HydrophobicContact CD2-CG 4.02Å; L1184-M1195 HydrophobicContact CG-CE 3.39Å; S1192-M1195 PolarHBondContact O-N 2.91Å; S1192-M1195 PolarHBondContact OG-N 3.49Å; M1195-E1197 PolarHBondContact O-N 3.3Å; M1195-F1198 PolarHBondContact O-N 2.88Å; M1195-Q1199 WeakPolarHBondContact O-CB 3.03Å; M1195-Q1199 PolarHBondContact O-N 3.05Å
1196S76.8Confident78.4Confident38 Ų3856.2 Ų56.227%0.26632%0.32SS..Hα-helixtrans-58.9-43.6174.4-850000112.6E1190 S1192 Q1199 S1200E1190-S1196 PolarHBondContact O-OG 2.96Å; S1192-S1196 WeakPolarHBondContact O-CB 3.48Å; S1192-S1196 PolarHBondContact O-N 3.36Å; S1196-Q1199 PolarHBondContact O-N 3.3Å; S1196-S1200 PolarHBondContact O-N 3.13Å
1197E82.1Confident78.6Confident82 Ų8260.8 Ų60.838%0.38334%0.341SS..Hα-helixtrans-62.8-44.6175.2-172.6-162.7-179.700111.1R1150 P1193 M1195 S1200 Q1201R1150-E1197 IonicContact CZ-OE2 2.59Å; R1150-E1197 IonicContact NH1-OE1 2.67Å; R1150-E1197 PolarHBondContact NH1-OE1 2.98Å; R1150-E1197 IonicContact NH1-OE2 3.32Å; R1150-E1197 PolarHBondContact NH1-OE2 3.4Å; R1150-E1197 IonicContact NH2-OE2 3.75Å; R1150-E1197 PolarHBondContact NH2-OE2 2.84Å; P1193-E1197 VanDerWaalsContact O-CB 3.32Å; P1193-E1197 WeakPolarHBondContact O-CB 3.22Å; P1193-E1197 PolarHBondContact O-N 2.87Å; M1195-E1197 PolarHBondContact O-N 3.3Å; E1197-S1200 WeakPolarHBondContact O-CB 3.44Å; E1197-S1200 PolarHBondContact O-N 3.43Å; E1197-Q1201 WeakPolarHBondContact O-CG 3.29Å; E1197-Q1201 PolarHBondContact O-N 3Å; E1197-Q1201 PolarHBondContact OE1-NE2 2.95Å
1198F86.9Confident79.4Confident1 Ų156.4 Ų56.40%0.00431%0.312CS..Hα-helixtrans-66.1-39.6179.5-174.4-145.4000111.8V1146 L1149 R1150 C1153 V1180 L1194 M1195 S1200 Q1201 I1202V1146-F1198 HydrophobicContact CG1-CB 4.03Å; V1146-F1198 HydrophobicContact CG1-CD1 3.95Å; V1146-F1198 HydrophobicContact CG1-CG 4.28Å; L1149-F1198 HydrophobicContact CB-CE1 4.18Å; R1150-F1198 HydrophobicContact CB-CD2 3.99Å; R1150-F1198 HydrophobicContact CB-CE1 4.49Å; R1150-F1198 HydrophobicContact CB-CE2 3.92Å; R1150-F1198 HydrophobicContact CB-CG 4.37Å; R1150-F1198 HydrophobicContact CB-CZ 4.18Å; R1150-F1198 HydrophobicContact CG-CD2 3.85Å; R1150-F1198 HydrophobicContact CG-CE2 3.98Å; C1153-F1198 HydrophobicContact CB-CE2 4.27Å; C1153-F1198 HydrophobicContact CB-CZ 4.05Å; V1180-F1198 HydrophobicContact CG2-CD1 4.34Å; V1180-F1198 HydrophobicContact CG2-CE1 3.55Å; V1180-F1198 HydrophobicContact CG2-CZ 4.36Å; L1194-F1198 WeakPolarHBondContact O-CB 3.49Å; L1194-F1198 PolarHBondContact O-N 3.18Å; M1195-F1198 PolarHBondContact O-N 2.88Å; F1198-S1200 VanDerWaalsContact C-N 3.32Å; F1198-S1200 PolarHBondContact O-N 2.98Å; F1198-Q1201 HydrophobicContact CD2-CB 4.5Å; F1198-Q1201 WeakPolarHBondContact O-CB 3.06Å; F1198-Q1201 PolarHBondContact O-N 3.04Å; F1198-Q1201 VanDerWaalsContact O-N 3.13Å; F1198-I1202 HydrophobicContact CD1-CD1 4.1Å; F1198-I1202 HydrophobicContact CD2-CD1 4.18Å; F1198-I1202 HydrophobicContact CD2-CG1 4.14Å; F1198-I1202 HydrophobicContact CE1-CD1 3.95Å; F1198-I1202 HydrophobicContact CE2-CD1 3.98Å; F1198-I1202 HydrophobicContact CE2-CG1 3.9Å; F1198-I1202 HydrophobicContact CG-CD1 4.22Å; F1198-I1202 HydrophobicContact CZ-CD1 3.86Å; F1198-I1202 HydrophobicContact CZ-CG1 4.23Å; F1198-I1202 VanDerWaalsContact O-CG1 3.27Å; F1198-I1202 WeakPolarHBondContact O-CG1 3.28Å; F1198-I1202 PolarHBondContact O-N 3.16Å
1199Q84.3Confident80.2Confident69 Ų6954.5 Ų54.532%0.32231%0.306SS..Hα-helixtrans-60.9-39.5173.6-171.4179.311.500112.2M1195 S1196 I1202 S1203M1195-Q1199 WeakPolarHBondContact O-CB 3.03Å; M1195-Q1199 PolarHBondContact O-N 3.05Å; S1196-Q1199 PolarHBondContact O-N 3.3Å; Q1199-I1202 PolarHBondContact O-N 2.79Å; Q1199-S1203 WeakPolarHBondContact O-CB 3.43Å; Q1199-S1203 PolarHBondContact O-N 3.04Å; Q1199-S1203 PolarHBondContact O-OG 3.1Å
1200S82.4Confident80.8Confident41 Ų4157.4 Ų57.429%0.28733%0.33SS..Hα-helixtrans-63.7-41.3172.8-174.30000111.8S121 S1196 E1197 F1198 S1203 S1204S121-S1200 PolarHBondContact O-OG 3.1Å; S1196-S1200 PolarHBondContact O-N 3.13Å; E1197-S1200 WeakPolarHBondContact O-CB 3.44Å; E1197-S1200 PolarHBondContact O-N 3.43Å; F1198-S1200 VanDerWaalsContact C-N 3.32Å; F1198-S1200 PolarHBondContact O-N 2.98Å; S1200-S1203 PolarHBondContact O-N 2.84Å; S1200-S1204 WeakPolarHBondContact O-CB 3.46Å; S1200-S1204 PolarHBondContact O-N 3.16Å; S1200-S1204 PolarHBondContact O-OG 3.1Å
1201Q85.9Confident81.7Confident60 Ų6052.1 Ų52.128%0.2831%0.306SS..Hα-helixtrans-64-38.9174.3-70.7176.97.700112.7E1197 F1198 S1204 N1205E1197-Q1201 WeakPolarHBondContact O-CG 3.29Å; E1197-Q1201 PolarHBondContact O-N 3Å; E1197-Q1201 PolarHBondContact OE1-NE2 2.95Å; F1198-Q1201 HydrophobicContact CD2-CB 4.5Å; F1198-Q1201 WeakPolarHBondContact O-CB 3.06Å; F1198-Q1201 PolarHBondContact O-N 3.04Å; F1198-Q1201 VanDerWaalsContact O-N 3.13Å; Q1201-S1204 WeakPolarHBondContact CA-OG 3.25Å; Q1201-S1204 PolarHBondContact O-OG 3.33Å; Q1201-S1204 VanDerWaalsContact O-OG 3.14Å; Q1201-N1205 WeakPolarHBondContact O-CB 3.36Å; Q1201-N1205 PolarHBondContact O-N 3.17Å
1202I86.7Confident82.7Confident4 Ų448.4 Ų48.42%0.02129%0.29CS..Hα-helixtrans-64-46.5175.4-66.4166.7000110M1177 V1180 F1198 Q1199 S1204 N1205 L1208 A1209 F1212M1177-I1202 HydrophobicContact CE-CD1 4.19Å; M1177-I1202 HydrophobicContact CE-CG1 3.96Å; M1177-I1202 HydrophobicContact CE-CG2 4.16Å; M1177-I1202 HydrophobicContact SD-CD1 3.99Å; M1177-I1202 HydrophobicContact SD-CG1 4.37Å; M1177-I1202 HydrophobicContact SD-CG2 4.32Å; V1180-I1202 HydrophobicContact CG1-CD1 3.96Å; F1198-I1202 HydrophobicContact CD1-CD1 4.1Å; F1198-I1202 HydrophobicContact CD2-CD1 4.18Å; F1198-I1202 HydrophobicContact CD2-CG1 4.14Å; F1198-I1202 HydrophobicContact CE1-CD1 3.95Å; F1198-I1202 HydrophobicContact CE2-CD1 3.98Å; F1198-I1202 HydrophobicContact CE2-CG1 3.9Å; F1198-I1202 HydrophobicContact CG-CD1 4.22Å; F1198-I1202 HydrophobicContact CZ-CD1 3.86Å; F1198-I1202 HydrophobicContact CZ-CG1 4.23Å; F1198-I1202 VanDerWaalsContact O-CG1 3.27Å; F1198-I1202 WeakPolarHBondContact O-CG1 3.28Å; F1198-I1202 PolarHBondContact O-N 3.16Å; Q1199-I1202 PolarHBondContact O-N 2.79Å; I1202-S1204 VanDerWaalsContact C-N 3.35Å; I1202-S1204 PolarHBondContact O-N 3.16Å; I1202-N1205 PolarHBondContact O-N 3.49Å; I1202-N1205 VanDerWaalsContact O-O 3.13Å; I1202-L1208 HydrophobicContact CG2-CB 4.22Å; I1202-A1209 PolarHBondContact O-N 3.06Å; I1202-F1212 HydrophobicContact CG2-CB 3.97Å; I1202-F1212 HydrophobicContact CG2-CG 4.13Å
1203S82.5Confident83.4Confident85 Ų8553 Ų5359%0.59431%0.31SS*.Hα-helixtrans-68.1-32.3-178-54.50000113.1Q1199 S1200Q1199-S1203 WeakPolarHBondContact O-CB 3.43Å; Q1199-S1203 PolarHBondContact O-N 3.04Å; Q1199-S1203 PolarHBondContact O-OG 3.1Å; S1200-S1203 PolarHBondContact O-N 2.84Å
1204S83.8Confident83.9Confident91 Ų9151.3 Ų51.364%0.63630%0.3SS*.Hα-helixtrans-81.2-15.8178.8550000114S1200 Q1201 I1202S1200-S1204 WeakPolarHBondContact O-CB 3.46Å; S1200-S1204 PolarHBondContact O-N 3.16Å; S1200-S1204 PolarHBondContact O-OG 3.1Å; Q1201-S1204 WeakPolarHBondContact CA-OG 3.25Å; Q1201-S1204 PolarHBondContact O-OG 3.33Å; Q1201-S1204 VanDerWaalsContact O-OG 3.14Å; I1202-S1204 VanDerWaalsContact C-N 3.35Å; I1202-S1204 PolarHBondContact O-N 3.16Å
1205N85.2Confident84.2Confident62 Ų6249.1 Ų49.133%0.33229%0.289SS..SBendtrans-99.6110.9176.9-175.8-26.7000110.7Q1201 I1202 E1207 L1208 A1209Q1201-N1205 WeakPolarHBondContact O-CB 3.36Å; Q1201-N1205 PolarHBondContact O-N 3.17Å; I1202-N1205 PolarHBondContact O-N 3.49Å; I1202-N1205 VanDerWaalsContact O-O 3.13Å; N1205-E1207 VanDerWaalsContact C-N 3.26Å; N1205-E1207 PolarHBondContact O-N 2.94Å; N1205-E1207 VanDerWaalsContact O-N 3.15Å; N1205-E1207 PolarHBondContact OD1-N 3.27Å; N1205-E1207 VanDerWaalsContact OD1-N 3.14Å; N1205-L1208 HydrophobicContact CB-CB 4.12Å; N1205-L1208 HydrophobicContact CB-CD1 4.04Å; N1205-L1208 HydrophobicContact CB-CG 4.09Å; N1205-L1208 PolarHBondContact O-N 2.93Å; N1205-L1208 VanDerWaalsContact O-N 3.11Å; N1205-A1209 WeakPolarHBondContact O-CB 3.39Å; N1205-A1209 PolarHBondContact O-N 2.68Å
1206P83.1Confident84Confident108 Ų10854 Ų5470%0.70131%0.312SS*.Hα-helixtrans-57.2-34.3-174.8-24.433000114.6A1210P1206-A1210 WeakPolarHBondContact O-CB 3.49Å; P1206-A1210 PolarHBondContact O-N 3.2Å
1207E84.1Confident83.8Confident102 Ų10258.8 Ų58.848%0.47733%0.327SS..Hα-helixtrans-69.6-44.4179.6-171-169.6148.700110.9K1173 N1205 I1211K1173-E1207 IonicContact NZ-OE1 3.87Å; K1173-E1207 PolarHBondContact NZ-OE1 3.42Å; K1173-E1207 IonicContact NZ-OE2 3.42Å; N1205-E1207 VanDerWaalsContact C-N 3.26Å; N1205-E1207 PolarHBondContact O-N 2.94Å; N1205-E1207 VanDerWaalsContact O-N 3.15Å; N1205-E1207 PolarHBondContact OD1-N 3.27Å; N1205-E1207 VanDerWaalsContact OD1-N 3.14Å; E1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; E1207-I1211 PolarHBondContact O-N 3.46Å
1208L87.3Confident83Confident5 Ų559.6 Ų59.63%0.02633%0.334CS..Hα-helixtrans-72.2-40.8-180-62.2-177.1000111.7C1153 K1173 M1177 I1202 N1205 A1210 I1211 F1212C1153-L1208 HydrophobicContact CB-CD1 4.41Å; C1153-L1208 HydrophobicContact CB-CD2 4.43Å; K1173-L1208 HydrophobicContact CD-CD2 4.44Å; M1177-L1208 HydrophobicContact CE-CB 3.7Å; M1177-L1208 HydrophobicContact CE-CD1 4.18Å; M1177-L1208 HydrophobicContact CE-CD2 3.64Å; M1177-L1208 HydrophobicContact CE-CG 4.02Å; I1202-L1208 HydrophobicContact CG2-CB 4.22Å; N1205-L1208 HydrophobicContact CB-CB 4.12Å; N1205-L1208 HydrophobicContact CB-CD1 4.04Å; N1205-L1208 HydrophobicContact CB-CG 4.09Å; N1205-L1208 PolarHBondContact O-N 2.93Å; N1205-L1208 VanDerWaalsContact O-N 3.11Å; L1208-A1210 PolarHBondContact O-N 3.1Å; L1208-I1211 PolarHBondContact O-N 2.89Å; L1208-F1212 WeakPolarHBondContact O-CB 3.35Å; L1208-F1212 PolarHBondContact O-N 2.63Å
1209A85.9Confident81.6Confident19 Ų1962.1 Ų62.116%0.15735%0.353CS..Hα-helixtrans-58.9-46.1176.500000111.8I1202 N1205 I1211 F1212 E1213I1202-A1209 PolarHBondContact O-N 3.06Å; N1205-A1209 WeakPolarHBondContact O-CB 3.39Å; N1205-A1209 PolarHBondContact O-N 2.68Å; A1209-I1211 PolarHBondContact O-N 3.45Å; A1209-F1212 PolarHBondContact O-N 2.97Å; A1209-E1213 WeakPolarHBondContact O-CG 3.39Å; A1209-E1213 PolarHBondContact O-N 3.19Å
1210A85.7Confident79.5Confident60 Ų6062.8 Ų62.850%0.49637%0.365SS..Hα-helixtrans-62-40.5178.100000112.8P1206 L1208 S1214P1206-A1210 WeakPolarHBondContact O-CB 3.49Å; P1206-A1210 PolarHBondContact O-N 3.2Å; L1208-A1210 PolarHBondContact O-N 3.1Å; A1210-S1214 PolarHBondContact O-N 3.13Å
1211I86.4Confident77Confident17 Ų1764.1 Ų64.19%0.08737%0.374CS..Hα-helixtrans-64.5-46.4175.2-66.6167.5000110.3R1174 M1177 E1207 L1208 A1209 S1214 I1215R1174-I1211 HydrophobicContact CG-CG2 3.97Å; M1177-I1211 HydrophobicContact CB-CG2 4.25Å; M1177-I1211 HydrophobicContact CG-CG2 4.02Å; E1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; E1207-I1211 PolarHBondContact O-N 3.46Å; L1208-I1211 PolarHBondContact O-N 2.89Å; A1209-I1211 PolarHBondContact O-N 3.45Å; I1211-S1214 PolarHBondContact O-N 2.97Å; I1211-S1214 PolarHBondContact O-OG 3.11Å; I1211-I1215 HydrophobicContact CG2-CD1 3.91Å; I1211-I1215 WeakPolarHBondContact O-CG1 3.47Å; I1211-I1215 PolarHBondContact O-N 2.9Å
1212F86.7Confident74.6Confident18 Ų1865.1 Ų65.18%0.07938%0.384CS..Hα-helixtrans-63.8-43.3-177.8-171.4-105.3000112.5M1177 V1180 A1181 L1184 I1202 L1208 A1209 S1214 I1215 Q1216M1177-F1212 HydrophobicContact SD-CB 4.3Å; M1177-F1212 HydrophobicContact SD-CD2 3.93Å; V1180-F1212 HydrophobicContact CG1-CE2 4.1Å; A1181-F1212 HydrophobicContact CB-CE2 4Å; L1184-F1212 HydrophobicContact CD1-CE2 4.24Å; L1184-F1212 HydrophobicContact CD1-CZ 3.63Å; I1202-F1212 HydrophobicContact CG2-CB 3.97Å; I1202-F1212 HydrophobicContact CG2-CG 4.13Å; L1208-F1212 WeakPolarHBondContact O-CB 3.35Å; L1208-F1212 PolarHBondContact O-N 2.63Å; A1209-F1212 PolarHBondContact O-N 2.97Å; F1212-S1214 VanDerWaalsContact C-N 3.33Å; F1212-S1214 PolarHBondContact O-N 3.2Å; F1212-I1215 PolarHBondContact O-N 2.67Å; F1212-Q1216 HydrophobicContact CD1-CG 4.42Å; F1212-Q1216 VanDerWaalsContact CE1-CD 3.45Å; F1212-Q1216 HydrophobicContact CE1-CG 4.09Å; F1212-Q1216 VanDerWaalsContact CE1-NE2 3.28Å; F1212-Q1216 HydrophobicContact CZ-CG 4.29Å; F1212-Q1216 PolarHBondContact O-N 3.04Å
1213E84.3Confident71.9Confident108 Ų10870.7 Ų70.751%0.50541%0.414SS..Hα-helixtrans-61.3-38.9174.7-76.7-176.7-17100112.8A1209 I1215 Q1216 K1217A1209-E1213 WeakPolarHBondContact O-CG 3.39Å; A1209-E1213 PolarHBondContact O-N 3.19Å; E1213-I1215 VanDerWaalsContact C-N 3.33Å; E1213-I1215 PolarHBondContact O-N 3.32Å; E1213-Q1216 PolarHBondContact O-N 3.11Å; E1213-K1217 WeakPolarHBondContact O-CG 3.48Å; E1213-K1217 PolarHBondContact O-N 3.14Å; E1213-K1217 VanDerWaalsContact O-N 3.14Å
1214S83.2Confident69.2Low51 Ų5173.8 Ų73.836%0.35742%0.423SS..Hα-helixtrans-62.4-42.3177.473.20000111.7A1210 I1211 F1212 K1217 D1218A1210-S1214 PolarHBondContact O-N 3.13Å; I1211-S1214 PolarHBondContact O-N 2.97Å; I1211-S1214 PolarHBondContact O-OG 3.11Å; F1212-S1214 VanDerWaalsContact C-N 3.33Å; F1212-S1214 PolarHBondContact O-N 3.2Å; S1214-K1217 PolarHBondContact O-N 2.9Å; S1214-D1218 PolarHBondContact O-N 3.3Å; S1214-D1218 VanDerWaalsContact O-N 3.09Å
1215I83.2Confident66.5Low9 Ų976.9 Ų76.95%0.04643%0.428CS..Hα-helixtrans-67.8-40.9179-68.8164.5000111.2R1174 M1177 R1178 A1181 I1211 F1212 E1213 K1217 D1218 S1219R1174-I1215 WeakPolarHBondContact O-CD1 3.17Å; M1177-I1215 HydrophobicContact CB-CD1 3.44Å; M1177-I1215 VanDerWaalsContact CB-CD1 3.44Å; R1178-I1215 HydrophobicContact CG-CD1 3.93Å; R1178-I1215 HydrophobicContact CG-CG1 4.22Å; R1178-I1215 HydrophobicContact CG-CG2 3.87Å; A1181-I1215 HydrophobicContact CB-CG2 4.27Å; I1211-I1215 HydrophobicContact CG2-CD1 3.91Å; I1211-I1215 WeakPolarHBondContact O-CG1 3.47Å; I1211-I1215 PolarHBondContact O-N 2.9Å; F1212-I1215 PolarHBondContact O-N 2.67Å; E1213-I1215 VanDerWaalsContact C-N 3.33Å; E1213-I1215 PolarHBondContact O-N 3.32Å; I1215-K1217 VanDerWaalsContact C-N 3.3Å; I1215-K1217 PolarHBondContact O-N 3.41Å; I1215-D1218 PolarHBondContact O-N 3.17Å; I1215-S1219 PolarHBondContact O-N 2.87Å; I1215-S1219 PolarHBondContact O-OG 2.95Å
1216Q77.3Confident63.8Low104 Ų10477.8 Ų77.849%0.48644%0.439SS..Hα-helixtrans-62.9-36.5177.1-73.9-171.4-38.900112.5F1212 E1213 S1220F1212-Q1216 HydrophobicContact CD1-CG 4.42Å; F1212-Q1216 VanDerWaalsContact CE1-CD 3.45Å; F1212-Q1216 HydrophobicContact CE1-CG 4.09Å; F1212-Q1216 VanDerWaalsContact CE1-NE2 3.28Å; F1212-Q1216 HydrophobicContact CZ-CG 4.29Å; F1212-Q1216 PolarHBondContact O-N 3.04Å; E1213-Q1216 PolarHBondContact O-N 3.11Å; Q1216-S1220 PolarHBondContact O-N 3.37Å
1217K72.3Confident61.1Low138 Ų13880.7 Ų80.760%0.645%0.445SS*.Hα-helixtrans-65.9-45.9174.2-73.3175-177.3169.30111.5E1213 S1214 I1215 S1219 S1220 S1221E1213-K1217 WeakPolarHBondContact O-CG 3.48Å; E1213-K1217 PolarHBondContact O-N 3.14Å; E1213-K1217 VanDerWaalsContact O-N 3.14Å; S1214-K1217 PolarHBondContact O-N 2.9Å; I1215-K1217 VanDerWaalsContact C-N 3.3Å; I1215-K1217 PolarHBondContact O-N 3.41Å; K1217-S1219 VanDerWaalsContact C-N 3.34Å; K1217-S1219 PolarHBondContact O-N 3.17Å; K1217-S1220 PolarHBondContact O-N 3.33Å; K1217-S1220 PolarHBondContact O-OG 2.92Å; K1217-S1221 PolarHBondContact O-OG 3.25Å
1218D66.5Low58.2Low99 Ų9983.4 Ų83.453%0.52946%0.463SS..Hα-helixtrans-61.4-40.8179-68.2-12.6000112.1S1214 I1215 S1220 S1221 T1222S1214-D1218 PolarHBondContact O-N 3.3Å; S1214-D1218 VanDerWaalsContact O-N 3.09Å; I1215-D1218 PolarHBondContact O-N 3.17Å; D1218-S1220 VanDerWaalsContact C-N 3.3Å; D1218-S1220 PolarHBondContact O-N 3.1Å; D1218-S1221 PolarHBondContact O-N 3.29Å; D1218-S1221 PolarHBondContact O-OG 3.43Å; D1218-T1222 PolarHBondContact O-N 3.14Å; D1218-T1222 PolarHBondContact O-OG1 3.37Å
1219S57.1Low55.1Low55 Ų5588.8 Ų88.839%0.38550%0.496SS..Hα-helixtrans-64.3-30.5177.9-57.50000113.6I1215 K1217 S1221I1215-S1219 PolarHBondContact O-N 2.87Å; I1215-S1219 PolarHBondContact O-OG 2.95Å; K1217-S1219 VanDerWaalsContact C-N 3.34Å; K1217-S1219 PolarHBondContact O-N 3.17Å; S1219-S1221 VanDerWaalsContact C-N 3.29Å; S1219-S1221 PolarHBondContact O-N 3.4Å
1220S39.3Very low52.3Low83 Ų8397.4 Ų97.458%0.5856%0.555SS**Hα-helixtrans-72.8-22.617768.80000113.2Q1216 K1217 D1218Q1216-S1220 PolarHBondContact O-N 3.37Å; K1217-S1220 PolarHBondContact O-N 3.33Å; K1217-S1220 PolarHBondContact O-OG 2.92Å; D1218-S1220 VanDerWaalsContact C-N 3.3Å; D1218-S1220 PolarHBondContact O-N 3.1Å
1221S31.3Very low50.6Low68 Ų6899.3 Ų99.348%0.47656%0.558SS.*Hα-helixtrans-86.1-31.4175.2370000114K1217 D1218 S1219K1217-S1221 PolarHBondContact O-OG 3.25Å; D1218-S1221 PolarHBondContact O-N 3.29Å; D1218-S1221 PolarHBondContact O-OG 3.43Å; S1219-S1221 VanDerWaalsContact C-N 3.29Å; S1219-S1221 PolarHBondContact O-N 3.4Å
1222T34Very low48.7Very low81 Ų81103.6 Ų103.650%0.49758%0.583SS.*Hα-helixtrans-78.7-25.7-176.811.30000114.6D1218 L1224 E1225 S1226D1218-T1222 PolarHBondContact O-N 3.14Å; D1218-T1222 PolarHBondContact O-OG1 3.37Å; T1222-L1224 PolarHBondContact O-N 3.08Å; T1222-L1224 VanDerWaalsContact O-N 3.11Å; T1222-E1225 PolarHBondContact O-N 3.42Å; T1222-E1225 VanDerWaalsContact O-N 3.08Å; T1222-S1226 PolarHBondContact O-N 3.34Å
1223N31Very low46.6Very low121 Ų121108.4 Ų108.465%0.64761%0.611SS**THydrogen-bonded Turntrans-66.8-8.3176.3-83-17.4000114.2
1224L25.5Very low44.4Very low151 Ų151108.4 Ų108.479%0.79162%0.617SS**THydrogen-bonded Turntrans-94.6-12.7173.7-79.9153000113.3T1222T1222-L1224 PolarHBondContact O-N 3.08Å; T1222-L1224 VanDerWaalsContact O-N 3.11Å
1225E26.3Very low41.9Very low156 Ų156112 Ų11273%0.72963%0.634SS**THydrogen-bonded Turntrans-108.7-15.3-176.4-69-171.8156.800113.9T1222 M1227T1222-E1225 PolarHBondContact O-N 3.42Å; T1222-E1225 VanDerWaalsContact O-N 3.08Å; E1225-M1227 PolarHBondContact O-N 2.82Å
1226S28.7Very low39.2Very low81 Ų81118.9 Ų118.957%0.56667%0.673SS**THydrogen-bonded Turntrans-84.72.6-177.757.50000115.7T1222T1222-S1226 PolarHBondContact O-N 3.34Å
1227M26.8Very low36.5Very low169 Ų169119.9 Ų119.983%0.83369%0.686SS**THydrogen-bonded Turntrans-90.7-1.2175.9-73-166.4-169.100114.7E1225E1225-M1227 PolarHBondContact O-N 2.82Å
1228D23.6Very low33.7Very low158 Ų158118.5 Ų118.585%0.84569%0.693SS**SBendtrans-11515.9-173.8-92.2-18.3000115
1229T22.7Very low31Very low118 Ų118120.2 Ų120.272%0.72471%0.706SS**  trans-131.776.9172.458.70000112.3
1230S25.6Very low28.6Very low201 Ų201126.1 Ų126.1100%1.40674%0.736SS**  trans-1550153.8-60.90000107.6

Retrieved 1,230 of 1,230 residues in 700.2 ms (Link to these results)

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