A0A5K4F5U4_SCHMA Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB , UniProt , Accession A0A5K4F5U4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 504 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
1M61Low78Confident171 Ų17188.7 Ų88.784%0.84243%0.425SS*.  0-89.60-71.9-52.5-70.300105.2Y3 F4 E5M1-Y3 PolarHBondContact O-N 3.34Å; M1-F4 WeakPolarHBondContact O-CB 3.27Å; M1-F4 PolarHBondContact O-N 2.79Å; M1-E5 VanDerWaalsContact CB-OE1 3.32Å; M1-E5 WeakPolarHBondContact CB-OE1 3.09Å
2L74.4Confident78.5Confident112 Ų11292.4 Ų92.459%0.58644%0.441SS*.THydrogen-bonded Turntrans11.7-83.3161.8-141.477.4000116.7F4 E5 D6L2-F4 PolarHBondContact O-N 3.47Å; L2-E5 WeakPolarHBondContact CA-OE2 3.49Å; L2-E5 PolarHBondContact N-OE1 3.33Å; L2-E5 PolarHBondContact N-OE2 2.93Å; L2-E5 VanDerWaalsContact N-OE2 3.09Å; L2-E5 CarbonylContact O-C 3.54Å; L2-E5 VanDerWaalsContact O-CA 3.29Å; L2-E5 WeakPolarHBondContact O-CA 3.43Å; L2-E5 VanDerWaalsContact O-CB 3.26Å; L2-E5 WeakPolarHBondContact O-CB 3.45Å; L2-E5 PolarHBondContact O-N 3Å; L2-D6 VanDerWaalsContact C-OD2 3.29Å; L2-D6 PolarHBondContact O-N 3.49Å
3Y72.4Confident78.8Confident78 Ų7892.9 Ų92.931%0.30645%0.448SS..Hα-helixtrans-48.4-33.5178.8-40.5-74.5000115.3M1 D6 F7 F106 E109M1-Y3 PolarHBondContact O-N 3.34Å; Y3-D6 VanDerWaalsContact CA-OD2 3.23Å; Y3-D6 WeakPolarHBondContact CA-OD2 3.29Å; Y3-D6 PolarHBondContact N-OD2 3.23Å; Y3-F7 WeakPolarHBondContact O-CB 3.43Å; Y3-F7 VanDerWaalsContact O-CD2 3.27Å; Y3-F7 WeakPolarHBondContact O-CD2 3.5Å; Y3-F7 PolarHBondContact O-N 3.01Å; Y3-F106 HydrophobicContact CD1-CB 4.46Å; Y3-F106 AromaticContact CD1-CD2 3.98Å; Y3-F106 HydrophobicContact CD1-CD2 3.98Å; Y3-F106 AromaticContact CD2-CD2 3.35Å; Y3-F106 HydrophobicContact CD2-CD2 3.35Å; Y3-F106 AromaticContact CD2-CE2 3.45Å; Y3-F106 HydrophobicContact CD2-CE2 3.45Å; Y3-F106 VanDerWaalsContact CD2-CE2 3.45Å; Y3-F106 HydrophobicContact CD2-CG 4.49Å; Y3-F106 HydrophobicContact CE1-CD2 4.24Å; Y3-F106 AromaticContact CE2-CD2 3.65Å; Y3-F106 HydrophobicContact CE2-CD2 3.65Å; Y3-F106 AromaticContact CE2-CE2 3.75Å; Y3-F106 HydrophobicContact CE2-CE2 3.75Å; Y3-F106 AromaticContact CG-CD2 3.53Å; Y3-F106 HydrophobicContact CG-CD2 3.53Å; Y3-F106 HydrophobicContact CG-CE2 4.06Å; Y3-F106 HydrophobicContact CG-CG 4.32Å; Y3-E109 WeakPolarHBondContact CE1-OE1 3.27Å; Y3-E109 PolarHBondContact OH-OE2 3.3Å; Y3-E109 VanDerWaalsContact OH-OE2 3.11Å
4F77.5Confident79.2Confident132 Ų13289.9 Ų89.958%0.57943%0.433SS*.Hα-helixtrans-73.8-33.3174.8-178.2-100.8000112.8M1 L2 M8M1-F4 WeakPolarHBondContact O-CB 3.27Å; M1-F4 PolarHBondContact O-N 2.79Å; L2-F4 PolarHBondContact O-N 3.47Å; F4-M8 HydrophobicContact CD1-CG 4.23Å; F4-M8 HydrophobicContact CE1-CG 3.72Å; F4-M8 HydrophobicContact CE1-SD 4.43Å; F4-M8 HydrophobicContact CE2-CG 4.21Å; F4-M8 HydrophobicContact CE2-SD 4.36Å; F4-M8 HydrophobicContact CZ-CG 3.7Å; F4-M8 HydrophobicContact CZ-SD 3.88Å; F4-M8 WeakPolarHBondContact O-CB 3.45Å; F4-M8 VanDerWaalsContact O-CG 3.26Å; F4-M8 WeakPolarHBondContact O-CG 3.4Å; F4-M8 PolarHBondContact O-N 3.09Å
5E81.7Confident79.8Confident89 Ų8988.4 Ų88.442%0.41643%0.434SS..Hα-helixtrans-64.8-46.7169.1-70.3121.1-134.900110.1M1 L2 F7 M8 E9M1-E5 VanDerWaalsContact CB-OE1 3.32Å; M1-E5 WeakPolarHBondContact CB-OE1 3.09Å; L2-E5 WeakPolarHBondContact CA-OE2 3.49Å; L2-E5 PolarHBondContact N-OE1 3.33Å; L2-E5 PolarHBondContact N-OE2 2.93Å; L2-E5 VanDerWaalsContact N-OE2 3.09Å; L2-E5 CarbonylContact O-C 3.54Å; L2-E5 VanDerWaalsContact O-CA 3.29Å; L2-E5 WeakPolarHBondContact O-CA 3.43Å; L2-E5 VanDerWaalsContact O-CB 3.26Å; L2-E5 WeakPolarHBondContact O-CB 3.45Å; L2-E5 PolarHBondContact O-N 3Å; E5-F7 VanDerWaalsContact C-N 3.3Å; E5-F7 PolarHBondContact O-N 3.24Å; E5-M8 PolarHBondContact O-N 3.35Å; E5-E9 PolarHBondContact O-N 3.21Å
6D79.2Confident80.5Confident56 Ų5687.4 Ų87.430%0.29944%0.439SS..Hα-helixtrans-58.3-40.6175.5-54-51.2000112.3L2 Y3 A10L2-D6 VanDerWaalsContact C-OD2 3.29Å; L2-D6 PolarHBondContact O-N 3.49Å; Y3-D6 VanDerWaalsContact CA-OD2 3.23Å; Y3-D6 WeakPolarHBondContact CA-OD2 3.29Å; Y3-D6 PolarHBondContact N-OD2 3.23Å; D6-A10 VanDerWaalsContact O-CB 3.26Å; D6-A10 WeakPolarHBondContact O-CB 3.42Å; D6-A10 PolarHBondContact O-N 3.05Å
7F81.2Confident80.9Confident51 Ų5187.2 Ų87.222%0.22444%0.436CS..Hα-helixtrans-64.9-38.6174.3-105.4-95.8000113.3Y3 E5 I11 L99 E102 L103Y3-F7 WeakPolarHBondContact O-CB 3.43Å; Y3-F7 VanDerWaalsContact O-CD2 3.27Å; Y3-F7 WeakPolarHBondContact O-CD2 3.5Å; Y3-F7 PolarHBondContact O-N 3.01Å; E5-F7 VanDerWaalsContact C-N 3.3Å; E5-F7 PolarHBondContact O-N 3.24Å; F7-I11 WeakPolarHBondContact O-CG1 3.37Å; F7-L99 HydrophobicContact CD1-CD2 3.61Å; F7-L99 HydrophobicContact CE1-CB 4.41Å; F7-L99 HydrophobicContact CE1-CD2 3.58Å; F7-L99 HydrophobicContact CG-CD2 4.42Å; F7-L99 HydrophobicContact CZ-CD2 4.35Å; F7-E102 HydrophobicContact CD2-CB 4.19Å; F7-E102 HydrophobicContact CE2-CB 3.68Å; F7-E102 HydrophobicContact CZ-CB 4.33Å; F7-L103 HydrophobicContact CE1-CD2 4.43Å; F7-L103 HydrophobicContact CE2-CD2 4.36Å; F7-L103 HydrophobicContact CZ-CD2 3.63Å; F7-L103 HydrophobicContact CZ-CG 3.83Å
8M83.9Confident81.6Confident87 Ų8786.1 Ų86.143%0.42943%0.431SS..Hα-helixtrans-72.8-45.1178.3-75.7-61.5-53.200110.8F4 E5 A10 I11 E12F4-M8 HydrophobicContact CD1-CG 4.23Å; F4-M8 HydrophobicContact CE1-CG 3.72Å; F4-M8 HydrophobicContact CE1-SD 4.43Å; F4-M8 HydrophobicContact CE2-CG 4.21Å; F4-M8 HydrophobicContact CE2-SD 4.36Å; F4-M8 HydrophobicContact CZ-CG 3.7Å; F4-M8 HydrophobicContact CZ-SD 3.88Å; F4-M8 WeakPolarHBondContact O-CB 3.45Å; F4-M8 VanDerWaalsContact O-CG 3.26Å; F4-M8 WeakPolarHBondContact O-CG 3.4Å; F4-M8 PolarHBondContact O-N 3.09Å; E5-M8 PolarHBondContact O-N 3.35Å; M8-A10 VanDerWaalsContact C-N 3.27Å; M8-A10 PolarHBondContact O-N 3.29Å; M8-I11 CarbonylContact O-C 3.58Å; M8-I11 PolarHBondContact O-N 3.05Å; M8-E12 WeakPolarHBondContact O-CB 3.37Å; M8-E12 PolarHBondContact O-N 3.45Å
9E84Confident82.2Confident135 Ų13587.1 Ų87.163%0.63144%0.438SS*.Hα-helixtrans-59.1-39.3174.9-167.2-162.3143.400111.4E5 I11E5-E9 PolarHBondContact O-N 3.21Å; E9-I11 PolarHBondContact O-N 3.32Å; E9-I11 VanDerWaalsContact O-N 3.14Å
10A77.9Confident82.9Confident8 Ų889.2 Ų89.27%0.06645%0.446CS..THydrogen-bonded Turntrans-63-14.3173.700000114.7D6 M8 L95 K98 L99D6-A10 VanDerWaalsContact O-CB 3.26Å; D6-A10 WeakPolarHBondContact O-CB 3.42Å; D6-A10 PolarHBondContact O-N 3.05Å; M8-A10 VanDerWaalsContact C-N 3.27Å; M8-A10 PolarHBondContact O-N 3.29Å; A10-L95 VanDerWaalsContact O-CD2 3.22Å; A10-L95 WeakPolarHBondContact O-CD2 3.36Å; A10-K98 HydrophobicContact CB-CD 3.76Å; A10-K98 HydrophobicContact CB-CG 4.41Å; A10-L99 HydrophobicContact CB-CD2 4.17Å
11I84.1Confident83.4Confident57 Ų5785.9 Ų85.929%0.29243%0.432SS..THydrogen-bonded Turntrans-119.9-26.8-173.3-70.6175.9000112.5F7 M8 E9 N13 M14 P15 L99F7-I11 WeakPolarHBondContact O-CG1 3.37Å; M8-I11 CarbonylContact O-C 3.58Å; M8-I11 PolarHBondContact O-N 3.05Å; E9-I11 PolarHBondContact O-N 3.32Å; E9-I11 VanDerWaalsContact O-N 3.14Å; I11-N13 PolarHBondContact O-N 2.97Å; I11-M14 HydrophobicContact CB-CE 4.25Å; I11-M14 HydrophobicContact CG1-CE 3.97Å; I11-M14 HydrophobicContact CG2-CE 4.12Å; I11-M14 WeakPolarHBondContact O-CB 3.47Å; I11-M14 PolarHBondContact O-N 3Å; I11-P15 VanDerWaalsContact O-CD 3.3Å; I11-P15 WeakPolarHBondContact O-CD 3.47Å; I11-L99 HydrophobicContact CD1-CD1 4.13Å; I11-L99 HydrophobicContact CD1-CD2 3.86Å; I11-L99 HydrophobicContact CG1-CD1 4.31Å; I11-L99 HydrophobicContact CG1-CD2 4.04Å
12E84.1Confident85.1Confident133 Ų13381.8 Ų81.862%0.62141%0.413SS*.THydrogen-bonded Turntrans-53.9-43.7-161.9-175.4164.1-155.600114.9M8 P15M8-E12 WeakPolarHBondContact O-CB 3.37Å; M8-E12 PolarHBondContact O-N 3.45Å; E12-P15 WeakPolarHBondContact O-CD 3.19Å
13N83Confident86.2Confident99 Ų9980.6 Ų80.653%0.52941%0.41SS..THydrogen-bonded Turntrans-80-20-178.5-62.2-40.2000113.8I11 S16 E17I11-N13 PolarHBondContact O-N 2.97Å; N13-S16 WeakPolarHBondContact O-CB 3.46Å; N13-S16 PolarHBondContact O-N 3.38Å; N13-S16 VanDerWaalsContact O-N 3.08Å; N13-S16 PolarHBondContact O-OG 2.9Å; N13-E17 WeakPolarHBondContact CB-OE1 3.42Å; N13-E17 PolarHBondContact O-N 2.83Å
14M84.2Confident87.3Confident50 Ų5080.3 Ų80.325%0.24641%0.414CS..Hα-helixtrans-59.5-42.4-172.5-169.4-158.3-33.300113.7I11 S16 L18 L95I11-M14 HydrophobicContact CB-CE 4.25Å; I11-M14 HydrophobicContact CG1-CE 3.97Å; I11-M14 HydrophobicContact CG2-CE 4.12Å; I11-M14 WeakPolarHBondContact O-CB 3.47Å; I11-M14 PolarHBondContact O-N 3Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 2.97Å; M14-L18 WeakPolarHBondContact O-CB 3.43Å; M14-L18 PolarHBondContact O-N 3.17Å; M14-L95 HydrophobicContact CB-CD1 4.33Å; M14-L95 HydrophobicContact CE-CB 4.36Å; M14-L95 HydrophobicContact CE-CD1 3.8Å; M14-L95 HydrophobicContact CE-CD2 4.27Å; M14-L95 HydrophobicContact CE-CG 4.38Å; M14-L95 HydrophobicContact CG-CD1 3.64Å; M14-L95 HydrophobicContact SD-CD1 3.8Å
15P89Confident88.3Confident68 Ų6874.8 Ų74.844%0.44239%0.391SS..Hα-helixtrans-64.1-33.4176.3-21.534.7000112.7I11 E12 N19I11-P15 VanDerWaalsContact O-CD 3.3Å; I11-P15 WeakPolarHBondContact O-CD 3.47Å; E12-P15 WeakPolarHBondContact O-CD 3.19Å; P15-N19 VanDerWaalsContact O-CB 3.29Å; P15-N19 WeakPolarHBondContact O-CB 3.34Å; P15-N19 VanDerWaalsContact O-CG 3.29Å; P15-N19 PolarHBondContact O-N 2.83Å; P15-N19 VanDerWaalsContact O-N 3.09Å; P15-N19 PolarHBondContact O-ND2 3.35Å
16S89.5Confident89.1Confident73 Ų7379 Ų7951%0.5140%0.403SS..Hα-helixtrans-67-58.3177.2-28.30000110.1N13 M14 L18 N19 E20N13-S16 WeakPolarHBondContact O-CB 3.46Å; N13-S16 PolarHBondContact O-N 3.38Å; N13-S16 VanDerWaalsContact O-N 3.08Å; N13-S16 PolarHBondContact O-OG 2.9Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 2.97Å; S16-L18 VanDerWaalsContact C-N 3.28Å; S16-L18 PolarHBondContact O-N 3.49Å; S16-N19 PolarHBondContact O-N 3.45Å; S16-N19 VanDerWaalsContact O-N 3.15Å; S16-E20 PolarHBondContact O-N 2.92Å
17E88.7Confident90Very high84 Ų8480.9 Ų80.939%0.39341%0.41SS..Hα-helixtrans-56.7-41.4-179.2-69172-147.200111.7N13 S21N13-E17 WeakPolarHBondContact CB-OE1 3.42Å; N13-E17 PolarHBondContact O-N 2.83Å; E17-S21 WeakPolarHBondContact O-CB 3.49Å; E17-S21 PolarHBondContact O-N 3.49Å; E17-S21 PolarHBondContact O-OG 3.24Å
18L92.8Very high90.8Very high66 Ų6679.4 Ų79.435%0.34640%0.404SS..Hα-helixtrans-69.4-42.2178.7-177.362000112.1M14 S16 L22 I88M14-L18 WeakPolarHBondContact O-CB 3.43Å; M14-L18 PolarHBondContact O-N 3.17Å; S16-L18 VanDerWaalsContact C-N 3.28Å; S16-L18 PolarHBondContact O-N 3.49Å; L18-L22 HydrophobicContact CD1-CD1 3.92Å; L18-L22 HydrophobicContact CD1-CG 4.05Å; L18-L22 HydrophobicContact CG-CD1 3.88Å; L18-L22 HydrophobicContact CG-CG 4.4Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.01Å; L18-I88 HydrophobicContact CD1-CD1 4.3Å; L18-I88 HydrophobicContact CD1-CG1 4.3Å; L18-I88 HydrophobicContact CD1-CG2 3.67Å
19N93.9Very high91.4Very high105 Ų10578.4 Ų78.456%0.56140%0.401SS*.Hα-helixtrans-67-39.1177.7-81.7-53.5000112P15 S16 T23P15-N19 VanDerWaalsContact O-CB 3.29Å; P15-N19 WeakPolarHBondContact O-CB 3.34Å; P15-N19 VanDerWaalsContact O-CG 3.29Å; P15-N19 PolarHBondContact O-N 2.83Å; P15-N19 VanDerWaalsContact O-N 3.09Å; P15-N19 PolarHBondContact O-ND2 3.35Å; S16-N19 PolarHBondContact O-N 3.45Å; S16-N19 VanDerWaalsContact O-N 3.15Å; N19-T23 WeakPolarHBondContact O-CB 3.4Å; N19-T23 PolarHBondContact O-N 3.46Å; N19-T23 PolarHBondContact O-OG1 3.19Å
20E94.6Very high92.1Very high129 Ų12976 Ų7660%0.60339%0.392SS*.Hα-helixtrans-64.1-51.5173.7-174.7176.9171.500110.8S16 L22 T23 N24S16-E20 PolarHBondContact O-N 2.92Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 2.67Å; E20-T23 WeakPolarHBondContact O-CA 3.12Å; E20-T23 WeakPolarHBondContact O-CB 3.2Å; E20-T23 PolarHBondContact O-N 2.89Å; E20-N24 PolarHBondContact O-N 3.01Å
21S94.8Very high93.1Very high20 Ų2078.8 Ų78.814%0.1440%0.404CS..Hα-helixtrans-59.3-41.5179.4-59.60000112.5E17 T23 N24 V25E17-S21 WeakPolarHBondContact O-CB 3.49Å; E17-S21 PolarHBondContact O-N 3.49Å; E17-S21 PolarHBondContact O-OG 3.24Å; S21-T23 VanDerWaalsContact C-N 3.35Å; S21-N24 PolarHBondContact O-N 3.37Å; S21-V25 WeakPolarHBondContact O-CG2 3.49Å; S21-V25 PolarHBondContact O-N 3.44Å
22L96.3Very high93.7Very high86 Ų8676.4 Ų76.445%0.4539%0.392SS..Hα-helixtrans-69.9-29.8175-70.8173.6000112.9L18 E20 R26 I88L18-L22 HydrophobicContact CD1-CD1 3.92Å; L18-L22 HydrophobicContact CD1-CG 4.05Å; L18-L22 HydrophobicContact CG-CD1 3.88Å; L18-L22 HydrophobicContact CG-CG 4.4Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.01Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 2.67Å; L22-R26 WeakPolarHBondContact O-CB 3.24Å; L22-R26 PolarHBondContact O-N 2.83Å; L22-I88 HydrophobicContact CD2-CD1 4.25Å
23T96.9Very high94.4Very high87 Ų8774.8 Ų74.853%0.53439%0.385SS..Hα-helixtrans-69-41.4172.6-61.10000110.7N19 E20 S21 R26 Q27N19-T23 WeakPolarHBondContact O-CB 3.4Å; N19-T23 PolarHBondContact O-N 3.46Å; N19-T23 PolarHBondContact O-OG1 3.19Å; E20-T23 WeakPolarHBondContact O-CA 3.12Å; E20-T23 WeakPolarHBondContact O-CB 3.2Å; E20-T23 PolarHBondContact O-N 2.89Å; S21-T23 VanDerWaalsContact C-N 3.35Å; T23-R26 WeakPolarHBondContact O-CB 3.37Å; T23-R26 PolarHBondContact O-N 3.01Å; T23-Q27 PolarHBondContact O-N 3.35Å
24N97Very high95.1Very high71 Ų7175 Ų7538%0.3839%0.386SS..Hα-helixtrans-65.7-42.8175.8-66.4-19.4000111.8E20 S21 R26 Q27 L28 I84E20-N24 PolarHBondContact O-N 3.01Å; S21-N24 PolarHBondContact O-N 3.37Å; N24-R26 VanDerWaalsContact C-N 3.31Å; N24-R26 PolarHBondContact O-N 2.8Å; N24-Q27 PolarHBondContact O-N 3.27Å; N24-L28 WeakPolarHBondContact O-CG 3.33Å; N24-L28 PolarHBondContact O-N 3.05Å; N24-I84 HydrophobicContact CB-CD1 3.98Å
25V97.9Very high95.7Very high16 Ų1673.6 Ų73.610%0.09738%0.379CS..Hα-helixtrans-56.7-44.1170.8164.80000111.6S21 L28 D29 K81 I84 V85S21-V25 WeakPolarHBondContact O-CG2 3.49Å; S21-V25 PolarHBondContact O-N 3.44Å; V25-L28 PolarHBondContact O-N 3.33Å; V25-D29 PolarHBondContact O-N 3Å; V25-K81 HydrophobicContact CG1-CD 4.02Å; V25-K81 HydrophobicContact CG1-CG 4.09Å; V25-K81 HydrophobicContact CG2-CG 4.46Å; V25-I84 HydrophobicContact CG2-CB 3.97Å; V25-I84 HydrophobicContact CG2-CD1 4.49Å; V25-I84 HydrophobicContact CG2-CG2 3.7Å; V25-V85 HydrophobicContact CG2-CG2 4.04Å
26R97.9Very high96.1Very high177 Ų17773.7 Ų73.767%0.66838%0.376SS*.Hα-helixtrans-66.1-36.2177.7-179.4179.7175.3-165.9-4.1112.7L22 T23 N24 L30L22-R26 WeakPolarHBondContact O-CB 3.24Å; L22-R26 PolarHBondContact O-N 2.83Å; T23-R26 WeakPolarHBondContact O-CB 3.37Å; T23-R26 PolarHBondContact O-N 3.01Å; N24-R26 VanDerWaalsContact C-N 3.31Å; N24-R26 PolarHBondContact O-N 2.8Å; R26-L30 HydrophobicContact CG-CD1 4.45Å; R26-L30 WeakPolarHBondContact O-CG 3.38Å; R26-L30 PolarHBondContact O-N 3.39Å; R26-L30 VanDerWaalsContact O-N 3.11Å
27Q98Very high96.4Very high96 Ų9674 Ų7445%0.44937%0.371SS..Hα-helixtrans-66.4-44176.3177.358.123.800111.2T23 N24 L30 Q31T23-Q27 PolarHBondContact O-N 3.35Å; N24-Q27 PolarHBondContact O-N 3.27Å; Q27-L30 PolarHBondContact O-N 3.14Å; Q27-Q31 WeakPolarHBondContact O-CG 3.46Å; Q27-Q31 PolarHBondContact O-N 2.67Å
28L97.9Very high96.8Very high20 Ų2072.5 Ų72.511%0.10537%0.37CS..Hα-helixtrans-64.7-38.9175.4-71.4163.7000112.3N24 V25 L30 Q31 A32 H77 D80 K81 I84N24-L28 WeakPolarHBondContact O-CG 3.33Å; N24-L28 PolarHBondContact O-N 3.05Å; V25-L28 PolarHBondContact O-N 3.33Å; L28-L30 PolarHBondContact O-N 3.45Å; L28-Q31 PolarHBondContact O-N 2.89Å; L28-A32 WeakPolarHBondContact O-CB 3.39Å; L28-A32 PolarHBondContact O-N 3.27Å; L28-H77 HydrophobicContact CD2-CB 4.16Å; L28-D80 HydrophobicContact CD1-CB 3.87Å; L28-D80 HydrophobicContact CD2-CB 4.08Å; L28-K81 HydrophobicContact CB-CB 4.27Å; L28-K81 HydrophobicContact CD1-CB 4.24Å; L28-I84 HydrophobicContact CD1-CD1 3.61Å
29D98.1Very high97Very high66 Ų6669.6 Ų69.635%0.35336%0.355SS..Hα-helixtrans-59.9-43.2172.7-88.4-35.6000112.3V25 Q33 K81V25-D29 PolarHBondContact O-N 3Å; D29-Q33 VanDerWaalsContact O-CB 3.3Å; D29-Q33 WeakPolarHBondContact O-CB 3.29Å; D29-Q33 PolarHBondContact O-N 3.44Å; D29-K81 VanDerWaalsContact OD1-CD 3.29Å; D29-K81 WeakPolarHBondContact OD1-CD 3.22Å; D29-K81 IonicContact OD1-NZ 3.78Å; D29-K81 PolarHBondContact OD1-NZ 3.1Å; D29-K81 IonicContact OD2-NZ 2.72Å; D29-K81 PolarHBondContact OD2-NZ 3.04Å
30L97.9Very high97.1Very high84 Ų8467.9 Ų67.944%0.4435%0.351SS..Hα-helixtrans-66.8-38.9176.4-71.1169.3000111.7R26 Q27 L28 N34R26-L30 HydrophobicContact CG-CD1 4.45Å; R26-L30 WeakPolarHBondContact O-CG 3.38Å; R26-L30 PolarHBondContact O-N 3.39Å; R26-L30 VanDerWaalsContact O-N 3.11Å; Q27-L30 PolarHBondContact O-N 3.14Å; L28-L30 PolarHBondContact O-N 3.45Å; L30-N34 WeakPolarHBondContact O-CB 3.48Å; L30-N34 PolarHBondContact O-N 2.98Å; L30-N34 PolarHBondContact O-ND2 2.88Å; L30-N34 VanDerWaalsContact O-ND2 3.15Å; L30-N34 PolarHBondContact O-OD1 2.87Å
31Q98Very high97.1Very high68 Ų6868.3 Ų68.332%0.31835%0.353SS..Hα-helixtrans-65.4-47.3176-73.8168.9-37.100111.8Q27 L28 N34 I35Q27-Q31 WeakPolarHBondContact O-CG 3.46Å; Q27-Q31 PolarHBondContact O-N 2.67Å; L28-Q31 PolarHBondContact O-N 2.89Å; Q31-N34 PolarHBondContact O-N 3.04Å; Q31-I35 WeakPolarHBondContact O-CG1 3.34Å; Q31-I35 PolarHBondContact O-N 3.27Å; Q31-I35 VanDerWaalsContact O-N 3.13Å
32A97.8Very high97.2Very high6 Ų670.2 Ų70.25%0.0536%0.364CS..Hα-helixtrans-61.2-45.5176.200000111.9L28 I35 L36 H77L28-A32 WeakPolarHBondContact O-CB 3.39Å; L28-A32 PolarHBondContact O-N 3.27Å; A32-I35 PolarHBondContact O-N 2.88Å; A32-L36 WeakPolarHBondContact O-CB 3.36Å; A32-L36 VanDerWaalsContact O-CG 3.29Å; A32-L36 WeakPolarHBondContact O-CG 3.3Å; A32-L36 PolarHBondContact O-N 2.87Å; A32-H77 HydrophobicContact CB-CB 4.13Å
33Q97.5Very high97.2Very high99 Ų9969 Ų6946%0.46336%0.358SS..Hα-helixtrans-63.6-45.7178.3-171.465.953.200111.9D29 I35 L36 D37D29-Q33 VanDerWaalsContact O-CB 3.3Å; D29-Q33 WeakPolarHBondContact O-CB 3.29Å; D29-Q33 PolarHBondContact O-N 3.44Å; Q33-I35 VanDerWaalsContact C-N 3.28Å; Q33-I35 PolarHBondContact O-N 3.38Å; Q33-L36 PolarHBondContact O-N 3.22Å; Q33-L36 VanDerWaalsContact O-N 3.15Å; Q33-D37 PolarHBondContact NE2-OD1 3.06Å; Q33-D37 WeakPolarHBondContact O-CB 3.33Å; Q33-D37 VanDerWaalsContact O-CG 3.28Å; Q33-D37 PolarHBondContact O-N 3.1Å
34N97.7Very high97.1Very high105 Ų10570.6 Ų70.656%0.56136%0.359SS*.Hα-helixtrans-58.3-40.4177.8-71.3-20.1000112L30 Q31 S38L30-N34 WeakPolarHBondContact O-CB 3.48Å; L30-N34 PolarHBondContact O-N 2.98Å; L30-N34 PolarHBondContact O-ND2 2.88Å; L30-N34 VanDerWaalsContact O-ND2 3.15Å; L30-N34 PolarHBondContact O-OD1 2.87Å; Q31-N34 PolarHBondContact O-N 3.04Å; N34-S38 PolarHBondContact O-N 3.25Å; N34-S38 VanDerWaalsContact O-N 3.14Å; N34-S38 PolarHBondContact O-OG 2.95Å
35I97.3Very high96.9Very high20 Ų2070.4 Ų70.410%0.10336%0.361CS..Hα-helixtrans-67.3-47175.6-63.8171.7000110.2Q31 A32 Q33 D37 S38 L39 E70 R73 A74Q31-I35 WeakPolarHBondContact O-CG1 3.34Å; Q31-I35 PolarHBondContact O-N 3.27Å; Q31-I35 VanDerWaalsContact O-N 3.13Å; A32-I35 PolarHBondContact O-N 2.88Å; Q33-I35 VanDerWaalsContact C-N 3.28Å; Q33-I35 PolarHBondContact O-N 3.38Å; I35-D37 VanDerWaalsContact C-N 3.33Å; I35-D37 PolarHBondContact O-N 2.76Å; I35-S38 PolarHBondContact O-N 3.33Å; I35-S38 PolarHBondContact O-OG 3.35Å; I35-L39 HydrophobicContact CG2-CD1 3.96Å; I35-L39 HydrophobicContact CG2-CG 4.35Å; I35-L39 WeakPolarHBondContact O-CB 3.4Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.07Å; I35-E70 HydrophobicContact CG2-CB 4.39Å; I35-E70 WeakPolarHBondContact CG2-O 3.45Å; I35-R73 HydrophobicContact CD1-CB 3.99Å; I35-A74 HydrophobicContact CB-CB 4.17Å; I35-A74 HydrophobicContact CG2-CB 3.88Å
36L97.5Very high96.8Very high70 Ų7070.7 Ų70.737%0.36636%0.361SS..Hα-helixtrans-61.6-37.2178.9-71.4170.6000113.3A32 Q33 L39 S40 A74A32-L36 WeakPolarHBondContact O-CB 3.36Å; A32-L36 VanDerWaalsContact O-CG 3.29Å; A32-L36 WeakPolarHBondContact O-CG 3.3Å; A32-L36 PolarHBondContact O-N 2.87Å; Q33-L36 PolarHBondContact O-N 3.22Å; Q33-L36 VanDerWaalsContact O-N 3.15Å; L36-L39 HydrophobicContact CD2-CD1 4.32Å; L36-L39 WeakPolarHBondContact O-CB 3.43Å; L36-L39 PolarHBondContact O-N 3.14Å; L36-S40 PolarHBondContact O-N 3.46Å; L36-A74 HydrophobicContact CD2-CB 4.26Å; L36-A74 HydrophobicContact CG-CB 4.21Å
37D97Very high96.6Very high78 Ų7868.6 Ų68.642%0.41736%0.356SS..Hα-helixtrans-65.8-48.8175.2-69.3-18.6000110.2Q33 I35 L39 S40 E41Q33-D37 PolarHBondContact NE2-OD1 3.06Å; Q33-D37 WeakPolarHBondContact O-CB 3.33Å; Q33-D37 VanDerWaalsContact O-CG 3.28Å; Q33-D37 PolarHBondContact O-N 3.1Å; I35-D37 VanDerWaalsContact C-N 3.33Å; I35-D37 PolarHBondContact O-N 2.76Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.08Å; D37-S40 WeakPolarHBondContact O-CB 3.39Å; D37-S40 PolarHBondContact O-N 3Å; D37-S40 PolarHBondContact O-OG 2.83Å; D37-E41 PolarHBondContact O-N 3.39Å
38S96.3Very high96.4Very high53 Ų5367.8 Ų67.837%0.37135%0.353SS..Hα-helixtrans-64.7-31175.873.70000113.5N34 I35 E41 T42N34-S38 PolarHBondContact O-N 3.25Å; N34-S38 VanDerWaalsContact O-N 3.14Å; N34-S38 PolarHBondContact O-OG 2.95Å; I35-S38 PolarHBondContact O-N 3.33Å; I35-S38 PolarHBondContact O-OG 3.35Å; S38-E41 PolarHBondContact O-N 3.43Å; S38-T42 WeakPolarHBondContact O-CG2 3.36Å; S38-T42 PolarHBondContact O-N 3.32Å; S38-T42 PolarHBondContact O-OG1 2.69Å
39L96.6Very high96.1Very high5 Ų568.7 Ų68.73%0.02636%0.358CS..Hα-helixtrans-64-40.6170.6-89171.3000111.2I35 L36 D37 E41 T42 I43 I67 E70 Y71I35-L39 HydrophobicContact CG2-CD1 3.96Å; I35-L39 HydrophobicContact CG2-CG 4.35Å; I35-L39 WeakPolarHBondContact O-CB 3.4Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.07Å; L36-L39 HydrophobicContact CD2-CD1 4.32Å; L36-L39 WeakPolarHBondContact O-CB 3.43Å; L36-L39 PolarHBondContact O-N 3.14Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.08Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 3.23Å; L39-T42 WeakPolarHBondContact CA-OG1 3.46Å; L39-T42 PolarHBondContact O-N 3.48Å; L39-T42 PolarHBondContact O-OG1 2.83Å; L39-T42 VanDerWaalsContact O-OG1 3.1Å; L39-I43 HydrophobicContact CB-CD1 4.33Å; L39-I43 HydrophobicContact CD2-CD1 4.38Å; L39-I43 WeakPolarHBondContact O-CB 3.38Å; L39-I43 WeakPolarHBondContact O-CD1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 2.87Å; L39-I67 HydrophobicContact CD2-CB 4.47Å; L39-I67 HydrophobicContact CD2-CG2 4.06Å; L39-E70 HydrophobicContact CD1-CB 4.2Å; L39-E70 HydrophobicContact CD2-CB 3.67Å; L39-E70 HydrophobicContact CG-CB 3.98Å; L39-Y71 HydrophobicContact CD1-CD2 4.31Å
40S96.2Very high95.8Very high70 Ų7067.5 Ų67.549%0.4935%0.354SS..Hα-helixtrans-61.6-39.6178.279.90000112.3L36 D37 Q44L36-S40 PolarHBondContact O-N 3.46Å; D37-S40 WeakPolarHBondContact O-CB 3.39Å; D37-S40 PolarHBondContact O-N 3Å; D37-S40 PolarHBondContact O-OG 2.83Å; S40-Q44 WeakPolarHBondContact O-CB 3.26Å; S40-Q44 PolarHBondContact O-N 2.84Å
41E95.6Very high95.5Very high138 Ų13873.6 Ų73.665%0.64537%0.371SS*.Hα-helixtrans-70-44.1177.1-63-174.3170.300112.3D37 S38 L39 Q44 T45D37-E41 PolarHBondContact O-N 3.39Å; S38-E41 PolarHBondContact O-N 3.43Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 3.23Å; E41-Q44 PolarHBondContact O-N 3.07Å; E41-T45 WeakPolarHBondContact O-CB 3.4Å; E41-T45 WeakPolarHBondContact O-CG2 3.4Å; E41-T45 PolarHBondContact O-N 3.25Å; E41-T45 PolarHBondContact O-OG1 3.34Å
42T95.4Very high95.1Very high59 Ų5976.5 Ų76.536%0.36238%0.383SS..Hα-helixtrans-68-37.6177.351.10000112.4S38 L39 T45 F46S38-T42 WeakPolarHBondContact O-CG2 3.36Å; S38-T42 PolarHBondContact O-N 3.32Å; S38-T42 PolarHBondContact O-OG1 2.69Å; L39-T42 WeakPolarHBondContact CA-OG1 3.46Å; L39-T42 PolarHBondContact O-N 3.48Å; L39-T42 PolarHBondContact O-OG1 2.83Å; L39-T42 VanDerWaalsContact O-OG1 3.1Å; T42-T45 WeakPolarHBondContact CA-OG1 3.44Å; T42-T45 PolarHBondContact O-OG1 3.05Å; T42-F46 WeakPolarHBondContact O-CB 3.39Å; T42-F46 PolarHBondContact O-N 3.15Å
43I96Very high94.6Very high62 Ų6279.4 Ų79.432%0.31841%0.414SS..Hα-helixtrans-66.6-44.2174.4-70.2165.9000110.8L39 F46 F47 I67L39-I43 HydrophobicContact CB-CD1 4.33Å; L39-I43 HydrophobicContact CD2-CD1 4.38Å; L39-I43 WeakPolarHBondContact O-CB 3.38Å; L39-I43 WeakPolarHBondContact O-CD1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 2.87Å; I43-F46 PolarHBondContact O-N 2.97Å; I43-F47 HydrophobicContact CG2-CD2 3.69Å; I43-F47 HydrophobicContact CG2-CE2 3.59Å; I43-F47 VanDerWaalsContact O-CD2 3.24Å; I43-F47 WeakPolarHBondContact O-CD2 3.41Å; I43-F47 PolarHBondContact O-N 2.83Å; I43-I67 HydrophobicContact CD1-CG2 4.09Å; I43-I67 HydrophobicContact CG1-CD1 4.11Å; I43-I67 HydrophobicContact CG1-CG1 4.33Å; I43-I67 HydrophobicContact CG1-CG2 3.9Å
44Q95.5Very high94.1Very high120 Ų12080.7 Ų80.756%0.56142%0.417SS*.Hα-helixtrans-61.2-49.9176.4-179.1178.7-24.600111.1S40 E41 F46 F47 E48S40-Q44 WeakPolarHBondContact O-CB 3.26Å; S40-Q44 PolarHBondContact O-N 2.84Å; E41-Q44 PolarHBondContact O-N 3.07Å; Q44-F46 VanDerWaalsContact C-N 3.35Å; Q44-F46 PolarHBondContact O-N 3.46Å; Q44-F47 PolarHBondContact O-N 3.15Å; Q44-E48 HydrophobicContact CG-CG 4.49Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.35Å; Q44-E48 PolarHBondContact NE2-OE1 3.45Å; Q44-E48 WeakPolarHBondContact O-CG 3.23Å; Q44-E48 PolarHBondContact O-N 3.32Å
45T93.9Very high93.5Very high67 Ų6776.8 Ų76.841%0.41140%0.397SS..Hα-helixtrans-66.2-34.6-179.651.30000112.7E41 T42 E48 N49E41-T45 WeakPolarHBondContact O-CB 3.4Å; E41-T45 WeakPolarHBondContact O-CG2 3.4Å; E41-T45 PolarHBondContact O-N 3.25Å; E41-T45 PolarHBondContact O-OG1 3.34Å; T42-T45 WeakPolarHBondContact CA-OG1 3.44Å; T42-T45 PolarHBondContact O-OG1 3.05Å; T45-E48 PolarHBondContact O-N 2.93Å; T45-N49 WeakPolarHBondContact O-CB 3.49Å; T45-N49 VanDerWaalsContact O-CG 3.23Å; T45-N49 PolarHBondContact O-N 2.91Å; T45-N49 PolarHBondContact O-ND2 3.26Å
46F94.4Very high93Very high22 Ų2280.8 Ų80.810%0.09642%0.417CS..Hα-helixtrans-59.3-50.3169.9170.7-104.9000111.9T42 I43 Q44 E48 N49 C50 L55 K60 Q63 I64 I67T42-F46 WeakPolarHBondContact O-CB 3.39Å; T42-F46 PolarHBondContact O-N 3.15Å; I43-F46 PolarHBondContact O-N 2.97Å; Q44-F46 VanDerWaalsContact C-N 3.35Å; Q44-F46 PolarHBondContact O-N 3.46Å; F46-E48 PolarHBondContact O-N 2.95Å; F46-N49 PolarHBondContact O-N 2.96Å; F46-C50 WeakPolarHBondContact O-CB 3.37Å; F46-C50 PolarHBondContact O-N 2.92Å; F46-C50 PolarHBondContact O-SG 3.17Å; F46-C50 VanDerWaalsContact O-SG 3.35Å; F46-L55 HydrophobicContact CD2-CD2 4.28Å; F46-L55 HydrophobicContact CE2-CD2 4.33Å; F46-K60 HydrophobicContact CE2-CB 4.3Å; F46-K60 HydrophobicContact CE2-CG 4.46Å; F46-Q63 HydrophobicContact CD2-CB 3.85Å; F46-Q63 HydrophobicContact CE2-CB 4.18Å; F46-I64 HydrophobicContact CE1-CG1 4.36Å; F46-I64 HydrophobicContact CE2-CG1 4.19Å; F46-I64 HydrophobicContact CZ-CD1 3.99Å; F46-I64 HydrophobicContact CZ-CG1 3.72Å; F46-I67 HydrophobicContact CB-CD1 4.17Å; F46-I67 HydrophobicContact CD1-CD1 4.34Å; F46-I67 HydrophobicContact CG-CD1 4.16Å
47F93.4Very high92.6Very high132 Ų13283.4 Ų83.458%0.57943%0.428SS*.Hα-helixtrans-65.2-37.9178.2-80.9-59.4000113I43 Q44 R51I43-F47 HydrophobicContact CG2-CD2 3.69Å; I43-F47 HydrophobicContact CG2-CE2 3.59Å; I43-F47 VanDerWaalsContact O-CD2 3.24Å; I43-F47 WeakPolarHBondContact O-CD2 3.41Å; I43-F47 PolarHBondContact O-N 2.83Å; Q44-F47 PolarHBondContact O-N 3.15Å; F47-R51 VanDerWaalsContact O-CB 3.29Å; F47-R51 WeakPolarHBondContact O-CB 3.33Å; F47-R51 PolarHBondContact O-N 3.28Å
48E94.1Very high92.3Very high80 Ų8086.8 Ų86.837%0.37444%0.436SS..Hα-helixtrans-63-45.8173.5-74.6179.9-162.200111.7Q44 T45 F46 C50 R51 F52Q44-E48 HydrophobicContact CG-CG 4.49Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.35Å; Q44-E48 PolarHBondContact NE2-OE1 3.45Å; Q44-E48 WeakPolarHBondContact O-CG 3.23Å; Q44-E48 PolarHBondContact O-N 3.32Å; T45-E48 PolarHBondContact O-N 2.93Å; F46-E48 PolarHBondContact O-N 2.95Å; E48-C50 PolarHBondContact O-N 3.37Å; E48-R51 WeakPolarHBondContact O-CB 3.45Å; E48-R51 PolarHBondContact O-N 3.4Å; E48-F52 WeakPolarHBondContact O-CD2 3.49Å; E48-F52 PolarHBondContact O-N 3.13Å
49N92.7Very high92.2Very high39 Ų3986.5 Ų86.521%0.20943%0.429CS..Hα-helixtrans-67.5-36.3179.2-69.8-37.3000112.6T45 F46 F52 G53 K54 L55T45-N49 WeakPolarHBondContact O-CB 3.49Å; T45-N49 VanDerWaalsContact O-CG 3.23Å; T45-N49 PolarHBondContact O-N 2.91Å; T45-N49 PolarHBondContact O-ND2 3.26Å; F46-N49 PolarHBondContact O-N 2.96Å; N49-F52 PolarHBondContact O-N 3.42Å; N49-G53 PolarHBondContact O-N 2.86Å; N49-K54 HydrophobicContact CB-CB 4.39Å; N49-K54 HydrophobicContact CB-CD 4.44Å; N49-K54 PolarHBondContact O-N 3.21Å; N49-K54 VanDerWaalsContact OD1-CD 3.27Å; N49-K54 WeakPolarHBondContact OD1-CD 3.39Å; N49-K54 PolarHBondContact OD1-NZ 3.23Å; N49-L55 HydrophobicContact CB-CD1 4Å
50C91Very high92Very high41 Ų4188.9 Ų88.928%0.27744%0.439SS..Hα-helixtrans-62.8-44.7169.8-74.30000112F46 E48 F52 G53F46-C50 WeakPolarHBondContact O-CB 3.37Å; F46-C50 PolarHBondContact O-N 2.92Å; F46-C50 PolarHBondContact O-SG 3.17Å; F46-C50 VanDerWaalsContact O-SG 3.35Å; E48-C50 PolarHBondContact O-N 3.37Å; C50-F52 VanDerWaalsContact C-N 3.29Å; C50-F52 PolarHBondContact O-N 2.97Å; C50-G53 PolarHBondContact O-N 3.14Å; C50-G53 VanDerWaalsContact O-N 3.09Å
51R91.2Very high91.9Very high212 Ų21288.5 Ų88.580%0.844%0.436SS*.Hα-helixtrans-60.6-35.9177.5178.8-179.3178.3-177.40.5112.9F47 E48F47-R51 VanDerWaalsContact O-CB 3.29Å; F47-R51 WeakPolarHBondContact O-CB 3.33Å; F47-R51 PolarHBondContact O-N 3.28Å; E48-R51 WeakPolarHBondContact O-CB 3.45Å; E48-R51 PolarHBondContact O-N 3.4Å
52F90.8Very high91.8Very high129 Ų12986 Ų8657%0.56643%0.43SS*.THydrogen-bonded Turntrans-894.8177.4-68.1-61.7000114E48 N49 C50 K54E48-F52 WeakPolarHBondContact O-CD2 3.49Å; E48-F52 PolarHBondContact O-N 3.13Å; N49-F52 PolarHBondContact O-N 3.42Å; C50-F52 VanDerWaalsContact C-N 3.29Å; C50-F52 PolarHBondContact O-N 2.97Å; F52-K54 HydrophobicContact CB-CD 4.06Å; F52-K54 HydrophobicContact CB-CG 3.85Å; F52-K54 PolarHBondContact O-N 3.48Å
53G86.6Confident91.7Very high67 Ų6786.2 Ų86.269%0.69143%0.427SS*.THydrogen-bonded Turntrans63.622.617900000114.6N49 C50 L55N49-G53 PolarHBondContact O-N 2.86Å; C50-G53 PolarHBondContact O-N 3.14Å; C50-G53 VanDerWaalsContact O-N 3.09Å; G53-L55 VanDerWaalsContact C-N 3.35Å
54K86.3Confident91.6Very high125 Ų12587.3 Ų87.354%0.54343%0.433SS..  trans-79.9-13.6-173-65.5173.6-175.4171.60114.5N49 F52N49-K54 HydrophobicContact CB-CB 4.39Å; N49-K54 HydrophobicContact CB-CD 4.44Å; N49-K54 PolarHBondContact O-N 3.21Å; N49-K54 VanDerWaalsContact OD1-CD 3.27Å; N49-K54 WeakPolarHBondContact OD1-CD 3.39Å; N49-K54 PolarHBondContact OD1-NZ 3.23Å; F52-K54 HydrophobicContact CB-CD 4.06Å; F52-K54 HydrophobicContact CB-CG 3.85Å; F52-K54 PolarHBondContact O-N 3.48Å
55L85.5Confident91.6Very high24 Ų2486.9 Ų86.913%0.12643%0.434CS..SBendtrans-113.6129.5-167.3-125.876.6000111.3F46 N49 G53 E59 K60 Q63F46-L55 HydrophobicContact CD2-CD2 4.28Å; F46-L55 HydrophobicContact CE2-CD2 4.33Å; N49-L55 HydrophobicContact CB-CD1 4Å; G53-L55 VanDerWaalsContact C-N 3.35Å; L55-E59 WeakPolarHBondContact CA-OE2 3.31Å; L55-E59 HydrophobicContact CD2-CB 4.01Å; L55-E59 HydrophobicContact CG-CB 3.7Å; L55-K60 HydrophobicContact CB-CG 4.15Å; L55-K60 HydrophobicContact CD2-CG 4.02Å; L55-K60 WeakPolarHBondContact O-CE 3.46Å; L55-Q63 HydrophobicContact CD2-CG 4.46Å
56L88Confident91.7Very high103 Ų10386.9 Ų86.954%0.53943%0.431SS..  trans-72.6160.1171.9-73.986.8000111.1Y58 E59 K60L56-Y58 VanDerWaalsContact C-N 3.27Å; L56-Y58 HydrophobicContact CB-CD1 3.73Å; L56-Y58 HydrophobicContact CB-CE1 3.85Å; L56-Y58 HydrophobicContact CD2-CD1 4.34Å; L56-Y58 HydrophobicContact CD2-CE1 4.15Å; L56-Y58 HydrophobicContact CG-CE1 4.44Å; L56-Y58 PolarHBondContact O-N 3.48Å; L56-E59 HydrophobicContact CB-CG 4.28Å; L56-E59 PolarHBondContact N-OE2 3.28Å; L56-E59 WeakPolarHBondContact O-CB 3.36Å; L56-E59 PolarHBondContact O-N 2.83Å; L56-K60 WeakPolarHBondContact O-CG 3.47Å; L56-K60 PolarHBondContact O-N 2.97Å
57E89.1Confident91.8Very high126 Ų12687.2 Ų87.259%0.58943%0.434SS*.Hα-helixtrans-62.6-32.9-175.8-15160.9-137.900113.6K60 S61E57-K60 IonicContact OE1-NZ 3.71Å; E57-K60 IonicContact OE2-NZ 2.67Å; E57-K60 PolarHBondContact OE2-NZ 3.29Å; E57-S61 PolarHBondContact O-N 3.11Å; E57-S61 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 3.23Å
58Y91.1Very high92Very high148 Ų14884.1 Ų84.158%0.5843%0.426SS*.Hα-helixtrans-65.6-41.9173.889.8-89.4000110.9L56 S61 T62L56-Y58 VanDerWaalsContact C-N 3.27Å; L56-Y58 HydrophobicContact CB-CD1 3.73Å; L56-Y58 HydrophobicContact CB-CE1 3.85Å; L56-Y58 HydrophobicContact CD2-CD1 4.34Å; L56-Y58 HydrophobicContact CD2-CE1 4.15Å; L56-Y58 HydrophobicContact CG-CE1 4.44Å; L56-Y58 PolarHBondContact O-N 3.48Å; Y58-S61 WeakPolarHBondContact O-CB 3.29Å; Y58-S61 PolarHBondContact O-N 3.49Å; Y58-T62 PolarHBondContact O-N 3.29Å; Y58-T62 PolarHBondContact O-OG1 2.95Å
59E92.3Very high92.2Very high47 Ų4786.5 Ų86.522%0.2243%0.431CS..Hα-helixtrans-67.6-37.7179.5-61.6165.817400111.8L55 L56 T62 Q63L55-E59 WeakPolarHBondContact CA-OE2 3.31Å; L55-E59 HydrophobicContact CD2-CB 4.01Å; L55-E59 HydrophobicContact CG-CB 3.7Å; L56-E59 HydrophobicContact CB-CG 4.28Å; L56-E59 PolarHBondContact N-OE2 3.28Å; L56-E59 WeakPolarHBondContact O-CB 3.36Å; L56-E59 PolarHBondContact O-N 2.83Å; E59-T62 PolarHBondContact O-N 3.49Å; E59-Q63 WeakPolarHBondContact O-CG 3.37Å; E59-Q63 PolarHBondContact O-N 2.85Å
60K92.4Very high92.4Very high56 Ų5686.1 Ų86.124%0.24343%0.428CS..Hα-helixtrans-60.1-48.4172-63.8175-161.2165.20110.5F46 L55 L56 E57 T62 Q63 I64F46-K60 HydrophobicContact CE2-CB 4.3Å; F46-K60 HydrophobicContact CE2-CG 4.46Å; L55-K60 HydrophobicContact CB-CG 4.15Å; L55-K60 HydrophobicContact CD2-CG 4.02Å; L55-K60 WeakPolarHBondContact O-CE 3.46Å; L56-K60 WeakPolarHBondContact O-CG 3.47Å; L56-K60 PolarHBondContact O-N 2.97Å; E57-K60 IonicContact OE1-NZ 3.71Å; E57-K60 IonicContact OE2-NZ 2.67Å; E57-K60 PolarHBondContact OE2-NZ 3.29Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.2Å; K60-Q63 PolarHBondContact O-N 3.37Å; K60-I64 WeakPolarHBondContact O-CB 3.39Å; K60-I64 WeakPolarHBondContact O-CD1 3.35Å; K60-I64 VanDerWaalsContact O-CG1 3.23Å; K60-I64 WeakPolarHBondContact O-CG1 3.48Å; K60-I64 PolarHBondContact O-N 2.91Å
61S94.1Very high92.7Very high61 Ų6190.7 Ų90.743%0.42744%0.441SS..Hα-helixtrans-59.3-44.7177.8-56.20000111.3E57 Y58 I64 L65E57-S61 PolarHBondContact O-N 3.11Å; E57-S61 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 3.23Å; Y58-S61 WeakPolarHBondContact O-CB 3.29Å; Y58-S61 PolarHBondContact O-N 3.49Å; S61-I64 PolarHBondContact O-N 3.09Å; S61-L65 WeakPolarHBondContact O-CB 3.2Å; S61-L65 VanDerWaalsContact O-CG 3.27Å; S61-L65 WeakPolarHBondContact O-CG 3.29Å; S61-L65 PolarHBondContact O-N 3.15Å
62T94.1Very high93Very high86 Ų8685.6 Ų85.653%0.52843%0.426SS..Hα-helixtrans-62.8-43.2175.8-55.60000112.8Y58 E59 K60 N66Y58-T62 PolarHBondContact O-N 3.29Å; Y58-T62 PolarHBondContact O-OG1 2.95Å; E59-T62 PolarHBondContact O-N 3.49Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.2Å; T62-N66 PolarHBondContact O-N 2.69Å
63Q93.2Very high93.3Very high64 Ų6485.6 Ų85.630%0.29942%0.422SS..Hα-helixtrans-70.1-39.4178.2-72-166.423.600112.3F46 L55 E59 K60 N66 I67F46-Q63 HydrophobicContact CD2-CB 3.85Å; F46-Q63 HydrophobicContact CE2-CB 4.18Å; L55-Q63 HydrophobicContact CD2-CG 4.46Å; E59-Q63 WeakPolarHBondContact O-CG 3.37Å; E59-Q63 PolarHBondContact O-N 2.85Å; K60-Q63 PolarHBondContact O-N 3.37Å; Q63-N66 PolarHBondContact O-N 3.06Å; Q63-I67 WeakPolarHBondContact O-CG1 3.19Å; Q63-I67 PolarHBondContact O-N 2.9Å
64I94.4Very high93.8Very high84 Ų8482.6 Ų82.643%0.43139%0.391SS..Hα-helixtrans-60.2-48.3173.8-69.3164.2000110.3F46 K60 S61 N66 I67 T68F46-I64 HydrophobicContact CE1-CG1 4.36Å; F46-I64 HydrophobicContact CE2-CG1 4.19Å; F46-I64 HydrophobicContact CZ-CD1 3.99Å; F46-I64 HydrophobicContact CZ-CG1 3.72Å; K60-I64 WeakPolarHBondContact O-CB 3.39Å; K60-I64 WeakPolarHBondContact O-CD1 3.35Å; K60-I64 VanDerWaalsContact O-CG1 3.23Å; K60-I64 WeakPolarHBondContact O-CG1 3.48Å; K60-I64 PolarHBondContact O-N 2.91Å; S61-I64 PolarHBondContact O-N 3.09Å; I64-N66 PolarHBondContact O-N 3.46Å; I64-I67 PolarHBondContact O-N 3.19Å; I64-T68 PolarHBondContact O-N 2.6Å; I64-T68 PolarHBondContact O-OG1 3.48Å
65L95.8Very high94.4Very high112 Ų11280 Ų8059%0.58638%0.383SS*.Hα-helixtrans-59.5-34176-73.5169.7000112.5S61 R69S61-L65 WeakPolarHBondContact O-CB 3.2Å; S61-L65 VanDerWaalsContact O-CG 3.27Å; S61-L65 WeakPolarHBondContact O-CG 3.29Å; S61-L65 PolarHBondContact O-N 3.15Å; L65-R69 WeakPolarHBondContact O-CB 3.21Å; L65-R69 PolarHBondContact O-N 3.29Å; L65-R69 VanDerWaalsContact O-N 3.14Å
66N96.1Very high95Very high67 Ų6782.1 Ų82.136%0.35839%0.394SS..Hα-helixtrans-72.3-44.6175-160.465.8000112.5T62 Q63 I64 T68 R69 E70T62-N66 PolarHBondContact O-N 2.69Å; Q63-N66 PolarHBondContact O-N 3.06Å; I64-N66 PolarHBondContact O-N 3.46Å; N66-T68 VanDerWaalsContact C-N 3.34Å; N66-T68 PolarHBondContact O-N 2.85Å; N66-R69 PolarHBondContact O-N 3.32Å; N66-R69 PolarHBondContact OD1-NH1 3.06Å; N66-E70 WeakPolarHBondContact O-CG 3.48Å; N66-E70 PolarHBondContact O-N 2.9Å
67I96.7Very high95.5Very high29 Ų2979.3 Ų79.315%0.14938%0.378CS..Hα-helixtrans-59.8-43.8176.8-71.2163.6000110.7L39 I43 F46 Q63 I64 E70 Y71L39-I67 HydrophobicContact CD2-CB 4.47Å; L39-I67 HydrophobicContact CD2-CG2 4.06Å; I43-I67 HydrophobicContact CD1-CG2 4.09Å; I43-I67 HydrophobicContact CG1-CD1 4.11Å; I43-I67 HydrophobicContact CG1-CG1 4.33Å; I43-I67 HydrophobicContact CG1-CG2 3.9Å; F46-I67 HydrophobicContact CB-CD1 4.17Å; F46-I67 HydrophobicContact CD1-CD1 4.34Å; F46-I67 HydrophobicContact CG-CD1 4.16Å; Q63-I67 WeakPolarHBondContact O-CG1 3.19Å; Q63-I67 PolarHBondContact O-N 2.9Å; I64-I67 PolarHBondContact O-N 3.19Å; I67-E70 PolarHBondContact O-N 3.4Å; I67-Y71 WeakPolarHBondContact O-CB 3.29Å; I67-Y71 PolarHBondContact O-N 3.14Å
68T96.9Very high95.8Very high67 Ų6776.5 Ų76.541%0.41137%0.372SS..Hα-helixtrans-60.6-48.9174.8-59.50000111.5I64 N66 E70 Y71 E72I64-T68 PolarHBondContact O-N 2.6Å; I64-T68 PolarHBondContact O-OG1 3.48Å; N66-T68 VanDerWaalsContact C-N 3.34Å; N66-T68 PolarHBondContact O-N 2.85Å; T68-E70 VanDerWaalsContact C-N 3.35Å; T68-E70 PolarHBondContact O-N 2.99Å; T68-Y71 PolarHBondContact O-N 3.17Å; T68-E72 WeakPolarHBondContact O-CG 3.28Å; T68-E72 PolarHBondContact O-N 2.78Å
69R97.4Very high96.2Very high129 Ų12974.1 Ų74.149%0.48736%0.364SS..Hα-helixtrans-56.8-46.6177.4-177.1-170.2-60.1116.23.3112L65 N66 E72 R73L65-R69 WeakPolarHBondContact O-CB 3.21Å; L65-R69 PolarHBondContact O-N 3.29Å; L65-R69 VanDerWaalsContact O-N 3.14Å; N66-R69 PolarHBondContact O-N 3.32Å; N66-R69 PolarHBondContact OD1-NH1 3.06Å; R69-E72 WeakPolarHBondContact O-CB 3.38Å; R69-E72 PolarHBondContact O-N 3.42Å; R69-R73 WeakPolarHBondContact O-CG 3.39Å; R69-R73 PolarHBondContact O-N 2.99Å
70E97Very high96.5Very high31 Ų3175.1 Ų75.115%0.14537%0.371CS..Hα-helixtrans-64.1-40.7178.1-70.3-53.3151.100112.3I35 L39 N66 I67 T68 E72 R73 A74I35-E70 HydrophobicContact CG2-CB 4.39Å; I35-E70 WeakPolarHBondContact CG2-O 3.45Å; L39-E70 HydrophobicContact CD1-CB 4.2Å; L39-E70 HydrophobicContact CD2-CB 3.67Å; L39-E70 HydrophobicContact CG-CB 3.98Å; N66-E70 WeakPolarHBondContact O-CG 3.48Å; N66-E70 PolarHBondContact O-N 2.9Å; I67-E70 PolarHBondContact O-N 3.4Å; T68-E70 VanDerWaalsContact C-N 3.35Å; T68-E70 PolarHBondContact O-N 2.99Å; E70-E72 VanDerWaalsContact C-N 3.33Å; E70-E72 PolarHBondContact O-N 2.72Å; E70-R73 WeakPolarHBondContact O-CB 3.5Å; E70-R73 PolarHBondContact O-N 2.94Å; E70-R73 VanDerWaalsContact O-N 3.15Å; E70-R73 IonicContact OE1-CZ 3.72Å; E70-R73 IonicContact OE1-NE 2.71Å; E70-R73 IonicContact OE1-NH2 2.83Å; E70-R73 PolarHBondContact OE1-NH2 2.88Å; E70-R73 IonicContact OE2-CZ 3.63Å; E70-R73 IonicContact OE2-NE 2.68Å; E70-R73 PolarHBondContact OE2-NE 3.17Å; E70-R73 IonicContact OE2-NH2 2.69Å; E70-R73 PolarHBondContact OE2-NH2 3.23Å; E70-A74 PolarHBondContact O-N 3.01Å; E70-A74 VanDerWaalsContact O-N 3.09Å
71Y97.5Very high96.7Very high137 Ų13775.4 Ų75.454%0.53737%0.372SS..Hα-helixtrans-64-38.4175.6-172.9-97.1000112L39 I67 T68 R73 A74 L75L39-Y71 HydrophobicContact CD1-CD2 4.31Å; I67-Y71 WeakPolarHBondContact O-CB 3.29Å; I67-Y71 PolarHBondContact O-N 3.14Å; T68-Y71 PolarHBondContact O-N 3.17Å; Y71-R73 VanDerWaalsContact C-N 3.34Å; Y71-R73 PolarHBondContact O-N 3.37Å; Y71-A74 PolarHBondContact O-N 2.99Å; Y71-L75 HydrophobicContact CE1-CD1 4.16Å; Y71-L75 VanDerWaalsContact O-CB 3.26Å; Y71-L75 WeakPolarHBondContact O-CB 3.35Å; Y71-L75 PolarHBondContact O-N 3.18Å
72E97.7Very high96.9Very high106 Ų10680.7 Ų80.750%0.49538%0.383SS..Hα-helixtrans-62.8-36.5172-72.4171.9176.200112.5T68 R69 E70 L75 N76T68-E72 WeakPolarHBondContact O-CG 3.28Å; T68-E72 PolarHBondContact O-N 2.78Å; R69-E72 WeakPolarHBondContact O-CB 3.38Å; R69-E72 PolarHBondContact O-N 3.42Å; E70-E72 VanDerWaalsContact C-N 3.33Å; E70-E72 PolarHBondContact O-N 2.72Å; E72-L75 PolarHBondContact O-N 3.4Å; E72-N76 VanDerWaalsContact O-CG 3.23Å; E72-N76 PolarHBondContact O-N 3.12Å; E72-N76 PolarHBondContact O-ND2 3.17Å
73R97.6Very high97Very high129 Ų12983.1 Ų83.149%0.48739%0.388SS..Hα-helixtrans-63.2-48.4173.5-60.7-154.7-66.3-175.33.3111.8I35 R69 E70 Y71 L75 N76 H77I35-R73 HydrophobicContact CD1-CB 3.99Å; R69-R73 WeakPolarHBondContact O-CG 3.39Å; R69-R73 PolarHBondContact O-N 2.99Å; E70-R73 WeakPolarHBondContact O-CB 3.5Å; E70-R73 PolarHBondContact O-N 2.94Å; E70-R73 VanDerWaalsContact O-N 3.15Å; E70-R73 IonicContact OE1-CZ 3.72Å; E70-R73 IonicContact OE1-NE 2.71Å; E70-R73 IonicContact OE1-NH2 2.83Å; E70-R73 PolarHBondContact OE1-NH2 2.88Å; E70-R73 IonicContact OE2-CZ 3.63Å; E70-R73 IonicContact OE2-NE 2.68Å; E70-R73 PolarHBondContact OE2-NE 3.17Å; E70-R73 IonicContact OE2-NH2 2.69Å; E70-R73 PolarHBondContact OE2-NH2 3.23Å; Y71-R73 VanDerWaalsContact C-N 3.34Å; Y71-R73 PolarHBondContact O-N 3.37Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.33Å; R73-N76 PolarHBondContact O-N 3.46Å; R73-H77 PolarHBondContact O-N 2.97Å
74A97.6Very high97.2Very high3 Ų381.9 Ų81.93%0.02538%0.383CS..Hα-helixtrans-60.8-40.4175.400000112.1I35 L36 E70 Y71 N76 H77 C78I35-A74 HydrophobicContact CB-CB 4.17Å; I35-A74 HydrophobicContact CG2-CB 3.88Å; L36-A74 HydrophobicContact CD2-CB 4.26Å; L36-A74 HydrophobicContact CG-CB 4.21Å; E70-A74 PolarHBondContact O-N 3.01Å; E70-A74 VanDerWaalsContact O-N 3.09Å; Y71-A74 PolarHBondContact O-N 2.99Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.15Å; A74-H77 PolarHBondContact O-N 2.82Å; A74-C78 PolarHBondContact O-N 3.22Å; A74-C78 VanDerWaalsContact O-N 3.15Å; A74-C78 PolarHBondContact O-SG 3.42Å; A74-C78 VanDerWaalsContact O-SG 3.35Å
75L97.7Very high97.3Very high71 Ų7181.3 Ų81.337%0.37238%0.383SS..Hα-helixtrans-66.3-32.1177.7-177.1146.9000112.4Y71 E72 R73 C78 K79Y71-L75 HydrophobicContact CE1-CD1 4.16Å; Y71-L75 VanDerWaalsContact O-CB 3.26Å; Y71-L75 WeakPolarHBondContact O-CB 3.35Å; Y71-L75 PolarHBondContact O-N 3.18Å; E72-L75 PolarHBondContact O-N 3.4Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.33Å; L75-C78 WeakPolarHBondContact O-CB 3.48Å; L75-C78 PolarHBondContact O-N 2.93Å; L75-K79 HydrophobicContact CD2-CD 4.37Å; L75-K79 PolarHBondContact O-N 3.04Å; L75-K79 VanDerWaalsContact O-N 3.15Å
76N97.9Very high97.4Very high68 Ų6880.9 Ų80.936%0.36438%0.378SS..Hα-helixtrans-69.2-47173.2-70.5-23000111.7E72 R73 A74 C78 K79 D80E72-N76 VanDerWaalsContact O-CG 3.23Å; E72-N76 PolarHBondContact O-N 3.12Å; E72-N76 PolarHBondContact O-ND2 3.17Å; R73-N76 PolarHBondContact O-N 3.46Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.15Å; N76-C78 PolarHBondContact O-N 3.15Å; N76-C78 VanDerWaalsContact O-N 3.12Å; N76-K79 WeakPolarHBondContact O-CA 3.28Å; N76-K79 VanDerWaalsContact O-CB 3.31Å; N76-K79 WeakPolarHBondContact O-CB 3.37Å; N76-K79 PolarHBondContact O-N 3.02Å; N76-K79 PolarHBondContact OD1-NZ 3.43Å; N76-D80 PolarHBondContact O-N 3.39Å; N76-D80 VanDerWaalsContact O-OD1 3.13Å
77H98Very high97.3Very high44 Ų4481.6 Ų81.620%0.20438%0.382CS..Hα-helixtrans-55.2-34.4172.9-65.1-39000113L28 A32 R73 A74 D80 K81L28-H77 HydrophobicContact CD2-CB 4.16Å; A32-H77 HydrophobicContact CB-CB 4.13Å; R73-H77 PolarHBondContact O-N 2.97Å; A74-H77 PolarHBondContact O-N 2.82Å; H77-D80 IonicContact ND1-OD2 2.65Å; H77-K81 WeakPolarHBondContact O-CB 3.3Å; H77-K81 PolarHBondContact O-N 3.46Å
78C97.5Very high97.2Very high68 Ų6881.8 Ų81.846%0.45938%0.383SS..Hα-helixtrans-67.9-32.8172.3-69.50000113.9A74 L75 N76 R82A74-C78 PolarHBondContact O-N 3.22Å; A74-C78 VanDerWaalsContact O-N 3.15Å; A74-C78 PolarHBondContact O-SG 3.42Å; A74-C78 VanDerWaalsContact O-SG 3.35Å; L75-C78 WeakPolarHBondContact O-CB 3.48Å; L75-C78 PolarHBondContact O-N 2.93Å; N76-C78 PolarHBondContact O-N 3.15Å; N76-C78 VanDerWaalsContact O-N 3.12Å; C78-R82 WeakPolarHBondContact O-CB 3.34Å; C78-R82 PolarHBondContact O-N 3.1Å
79K98Very high97.1Very high98 Ų9884.2 Ų84.243%0.42639%0.386SS..Hα-helixtrans-67.6-48.7171.7-68.2169.3-175.1153.80110.7L75 N76 K81 R82 E83L75-K79 HydrophobicContact CD2-CD 4.37Å; L75-K79 PolarHBondContact O-N 3.04Å; L75-K79 VanDerWaalsContact O-N 3.15Å; N76-K79 WeakPolarHBondContact O-CA 3.28Å; N76-K79 VanDerWaalsContact O-CB 3.31Å; N76-K79 WeakPolarHBondContact O-CB 3.37Å; N76-K79 PolarHBondContact O-N 3.02Å; N76-K79 PolarHBondContact OD1-NZ 3.43Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 3.35Å; K79-R82 WeakPolarHBondContact O-CB 3.34Å; K79-R82 PolarHBondContact O-N 3.29Å; K79-R82 VanDerWaalsContact O-N 3.07Å; K79-E83 PolarHBondContact O-N 3.36Å
80D98.2Very high96.9Very high67 Ų6780 Ų8036%0.35838%0.376SS..Hα-helixtrans-59.2-46-177.8-48.7-22.1000110.1L28 N76 H77 R82 E83 I84L28-D80 HydrophobicContact CD1-CB 3.87Å; L28-D80 HydrophobicContact CD2-CB 4.08Å; N76-D80 PolarHBondContact O-N 3.39Å; N76-D80 VanDerWaalsContact O-OD1 3.13Å; H77-D80 IonicContact ND1-OD2 2.65Å; D80-R82 VanDerWaalsContact C-N 3.33Å; D80-R82 PolarHBondContact O-N 3.47Å; D80-E83 WeakPolarHBondContact O-CB 3.35Å; D80-E83 PolarHBondContact O-N 3.36Å; D80-I84 WeakPolarHBondContact O-CG1 3.34Å; D80-I84 PolarHBondContact O-N 3.39Å; D80-I84 VanDerWaalsContact O-N 3.1Å
81K97.2Very high96.6Very high62 Ų6280.3 Ų80.327%0.2738%0.378SS..Hα-helixtrans-57.3-44.1174.5163.2169.6168.2170.80112.1V25 L28 D29 H77 K79 E83 I84 V85V25-K81 HydrophobicContact CG1-CD 4.02Å; V25-K81 HydrophobicContact CG1-CG 4.09Å; V25-K81 HydrophobicContact CG2-CG 4.46Å; L28-K81 HydrophobicContact CB-CB 4.27Å; L28-K81 HydrophobicContact CD1-CB 4.24Å; D29-K81 VanDerWaalsContact OD1-CD 3.29Å; D29-K81 WeakPolarHBondContact OD1-CD 3.22Å; D29-K81 IonicContact OD1-NZ 3.78Å; D29-K81 PolarHBondContact OD1-NZ 3.1Å; D29-K81 IonicContact OD2-NZ 2.72Å; D29-K81 PolarHBondContact OD2-NZ 3.04Å; H77-K81 WeakPolarHBondContact O-CB 3.3Å; H77-K81 PolarHBondContact O-N 3.46Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 3.35Å; K81-E83 VanDerWaalsContact C-N 3.33Å; K81-I84 PolarHBondContact O-N 3.08Å; K81-V85 WeakPolarHBondContact O-CG2 3.12Å; K81-V85 PolarHBondContact O-N 2.98Å; K81-V85 VanDerWaalsContact O-N 3.1Å
82R97.9Very high96.2Very high173 Ų17380.3 Ų80.365%0.65338%0.378SS*.Hα-helixtrans-65.3-37.2179.4177.7-165.163.7122.78111.4C78 K79 D80 V85 E86C78-R82 WeakPolarHBondContact O-CB 3.34Å; C78-R82 PolarHBondContact O-N 3.1Å; K79-R82 WeakPolarHBondContact O-CB 3.34Å; K79-R82 PolarHBondContact O-N 3.29Å; K79-R82 VanDerWaalsContact O-N 3.07Å; D80-R82 VanDerWaalsContact C-N 3.33Å; D80-R82 PolarHBondContact O-N 3.47Å; R82-V85 PolarHBondContact O-N 3.09Å; R82-E86 PolarHBondContact O-N 3.09Å
83E97.5Very high96Very high137 Ų13778.9 Ų78.964%0.6437%0.368SS*.Hα-helixtrans-64.5-45.5176.4-175.216717700111.9K79 D80 K81 V85 E86 N87K79-E83 PolarHBondContact O-N 3.36Å; D80-E83 WeakPolarHBondContact O-CB 3.35Å; D80-E83 PolarHBondContact O-N 3.36Å; K81-E83 VanDerWaalsContact C-N 3.33Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 2.75Å; E83-E86 PolarHBondContact O-N 2.91Å; E83-N87 PolarHBondContact O-N 2.95Å
84I96.9Very high95.6Very high38 Ų3879 Ų7920%0.19537%0.372CS..Hα-helixtrans-59.9-41.2174.5-60.5167.4000111N24 V25 L28 D80 K81 N87 I88N24-I84 HydrophobicContact CB-CD1 3.98Å; V25-I84 HydrophobicContact CG2-CB 3.97Å; V25-I84 HydrophobicContact CG2-CD1 4.49Å; V25-I84 HydrophobicContact CG2-CG2 3.7Å; L28-I84 HydrophobicContact CD1-CD1 3.61Å; D80-I84 WeakPolarHBondContact O-CG1 3.34Å; D80-I84 PolarHBondContact O-N 3.39Å; D80-I84 VanDerWaalsContact O-N 3.1Å; K81-I84 PolarHBondContact O-N 3.08Å; I84-N87 PolarHBondContact O-N 3.15Å; I84-I88 HydrophobicContact CG2-CD1 4.14Å; I84-I88 WeakPolarHBondContact O-CG1 3.4Å; I84-I88 PolarHBondContact O-N 2.91Å
85V96.7Very high95.2Very high71 Ų7180.3 Ų80.343%0.4338%0.379SS..Hα-helixtrans-66.9-40.7178.7171.40000112.5V25 K81 R82 E83 N87 I88 Y89V25-V85 HydrophobicContact CG2-CG2 4.04Å; K81-V85 WeakPolarHBondContact O-CG2 3.12Å; K81-V85 PolarHBondContact O-N 2.98Å; K81-V85 VanDerWaalsContact O-N 3.1Å; R82-V85 PolarHBondContact O-N 3.09Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 2.75Å; V85-N87 VanDerWaalsContact C-N 3.32Å; V85-I88 PolarHBondContact O-N 3.29Å; V85-Y89 PolarHBondContact O-N 3.37Å
86E96.8Very high94.9Very high103 Ų10379.4 Ų79.448%0.48138%0.376SS..Hα-helixtrans-67.6-34.1174.1-174.459.4-149.400111.4R82 E83 Y89 S90 R93R82-E86 PolarHBondContact O-N 3.09Å; E83-E86 PolarHBondContact O-N 2.91Å; E86-Y89 PolarHBondContact O-N 3.36Å; E86-S90 VanDerWaalsContact O-CB 3.32Å; E86-S90 WeakPolarHBondContact O-CB 3.42Å; E86-S90 PolarHBondContact O-N 3.45Å; E86-R93 IonicContact OE1-CZ 3.16Å; E86-R93 IonicContact OE1-NH1 3.34Å; E86-R93 IonicContact OE1-NH2 2.87Å; E86-R93 PolarHBondContact OE1-NH2 3.28Å
87N94.9Very high94.6Very high82 Ų8281.1 Ų81.144%0.43938%0.377SS..Hα-helixtrans-64.2-48.4172.7-17341.6000111.9E83 I84 V85 Y89 S90 I91E83-N87 PolarHBondContact O-N 2.95Å; I84-N87 PolarHBondContact O-N 3.15Å; V85-N87 VanDerWaalsContact C-N 3.32Å; N87-Y89 PolarHBondContact O-N 2.9Å; N87-S90 WeakPolarHBondContact O-CB 3.34Å; N87-S90 PolarHBondContact O-N 2.72Å; N87-S90 VanDerWaalsContact O-N 3.07Å; N87-I91 WeakPolarHBondContact O-CB 3.45Å; N87-I91 WeakPolarHBondContact O-CG1 3.38Å; N87-I91 PolarHBondContact O-N 3.37Å
88I94.6Very high94.1Very high34 Ų3483 Ų8317%0.17439%0.385CS..Hα-helixtrans-52.8-45.9172.8-69.1164.5000110.2L18 L22 I84 V85 I91 Y92L18-I88 HydrophobicContact CD1-CD1 4.3Å; L18-I88 HydrophobicContact CD1-CG1 4.3Å; L18-I88 HydrophobicContact CD1-CG2 3.67Å; L22-I88 HydrophobicContact CD2-CD1 4.25Å; I84-I88 HydrophobicContact CG2-CD1 4.14Å; I84-I88 WeakPolarHBondContact O-CG1 3.4Å; I84-I88 PolarHBondContact O-N 2.91Å; V85-I88 PolarHBondContact O-N 3.29Å; I88-I91 PolarHBondContact O-N 3.33Å; I88-Y92 WeakPolarHBondContact O-CB 3.45Å; I88-Y92 PolarHBondContact O-N 3.1Å
89Y94.5Very high93.7Very high118 Ų11881.3 Ų81.346%0.46337%0.371SS..Hα-helixtrans-71.1-30.6-179.9-175.4-133.8000113.1V85 E86 N87 Y92 R93V85-Y89 PolarHBondContact O-N 3.37Å; E86-Y89 PolarHBondContact O-N 3.36Å; N87-Y89 PolarHBondContact O-N 2.9Å; Y89-Y92 HydrophobicContact CD2-CD1 4.27Å; Y89-Y92 HydrophobicContact CE2-CD1 4.43Å; Y89-R93 VanDerWaalsContact CD1-NH2 3.3Å; Y89-R93 HydrophobicContact CD2-CG 4.25Å; Y89-R93 HydrophobicContact CE2-CG 3.89Å; Y89-R93 WeakPolarHBondContact O-CB 3.46Å; Y89-R93 VanDerWaalsContact O-CG 3.29Å; Y89-R93 WeakPolarHBondContact O-CG 3.32Å; Y89-R93 PolarHBondContact O-N 2.72Å; Y89-R93 VanDerWaalsContact O-N 3.1Å; Y89-R93 PolarHBondContact O-NE 3.19Å
90S92.9Very high93.3Very high39 Ų3981 Ų8127%0.27337%0.374SS..Hα-helixtrans-65.4-49.1170.9-171.50000111.4E86 N87 R93 K94E86-S90 VanDerWaalsContact O-CB 3.32Å; E86-S90 WeakPolarHBondContact O-CB 3.42Å; E86-S90 PolarHBondContact O-N 3.45Å; N87-S90 WeakPolarHBondContact O-CB 3.34Å; N87-S90 PolarHBondContact O-N 2.72Å; N87-S90 VanDerWaalsContact O-N 3.07Å; S90-R93 PolarHBondContact O-N 3.19Å; S90-K94 WeakPolarHBondContact O-CG 3.26Å; S90-K94 PolarHBondContact O-N 2.99Å; S90-K94 VanDerWaalsContact O-N 3.08Å
91I90.2Very high92.9Very high39 Ų3980.2 Ų80.220%0.237%0.37CS..Hα-helixtrans-59.3-52.6176.7-70.7166.3000110.1N87 I88 R93 K94 L95N87-I91 WeakPolarHBondContact O-CB 3.45Å; N87-I91 WeakPolarHBondContact O-CG1 3.38Å; N87-I91 PolarHBondContact O-N 3.37Å; I88-I91 PolarHBondContact O-N 3.33Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-R93 PolarHBondContact O-N 3.07Å; I91-K94 WeakPolarHBondContact O-CB 3.22Å; I91-K94 PolarHBondContact O-N 3.27Å; I91-L95 HydrophobicContact CG2-CD1 3.44Å; I91-L95 VanDerWaalsContact CG2-CD1 3.44Å; I91-L95 HydrophobicContact CG2-CG 4.35Å; I91-L95 WeakPolarHBondContact O-CD1 3.39Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.45Å; I91-L95 PolarHBondContact O-N 3.43Å
92Y90.9Very high92.4Very high136 Ų13678.8 Ų78.853%0.53336%0.364SS..Hα-helixtrans-53.2-45.9175.5174.5-99.7000112.9I88 Y89 K94 L95 V96I88-Y92 WeakPolarHBondContact O-CB 3.45Å; I88-Y92 PolarHBondContact O-N 3.1Å; Y89-Y92 HydrophobicContact CD2-CD1 4.27Å; Y89-Y92 HydrophobicContact CE2-CD1 4.43Å; Y92-K94 VanDerWaalsContact C-N 3.32Å; Y92-K94 PolarHBondContact O-N 3.1Å; Y92-L95 PolarHBondContact O-N 2.98Å; Y92-V96 HydrophobicContact CD1-CG2 4.45Å; Y92-V96 HydrophobicContact CD2-CG2 4.34Å; Y92-V96 HydrophobicContact CE1-CG2 4Å; Y92-V96 HydrophobicContact CE2-CG2 3.89Å; Y92-V96 WeakPolarHBondContact O-CG2 3.49Å; Y92-V96 PolarHBondContact O-N 2.76Å
93R92.6Very high91.9Very high77 Ų7775 Ų7529%0.29136%0.356SS..Hα-helixtrans-65.4-29.6177.8-78.4175.6-67.4-176.7-1.3113.7E86 Y89 S90 I91 R97E86-R93 IonicContact OE1-CZ 3.16Å; E86-R93 IonicContact OE1-NH1 3.34Å; E86-R93 IonicContact OE1-NH2 2.87Å; E86-R93 PolarHBondContact OE1-NH2 3.28Å; Y89-R93 VanDerWaalsContact CD1-NH2 3.3Å; Y89-R93 HydrophobicContact CD2-CG 4.25Å; Y89-R93 HydrophobicContact CE2-CG 3.89Å; Y89-R93 WeakPolarHBondContact O-CB 3.46Å; Y89-R93 VanDerWaalsContact O-CG 3.29Å; Y89-R93 WeakPolarHBondContact O-CG 3.32Å; Y89-R93 PolarHBondContact O-N 2.72Å; Y89-R93 VanDerWaalsContact O-N 3.1Å; Y89-R93 PolarHBondContact O-NE 3.19Å; S90-R93 PolarHBondContact O-N 3.19Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-R93 PolarHBondContact O-N 3.07Å; R93-R97 WeakPolarHBondContact O-CG 3.41Å
94K89.8Confident91.5Very high130 Ų13073 Ų7357%0.56535%0.347SS*.Hα-helixtrans-72.4-45172.9-68.6171.3-178.3-179.90111S90 I91 Y92 R97 K98S90-K94 WeakPolarHBondContact O-CG 3.26Å; S90-K94 PolarHBondContact O-N 2.99Å; S90-K94 VanDerWaalsContact O-N 3.08Å; I91-K94 WeakPolarHBondContact O-CB 3.22Å; I91-K94 PolarHBondContact O-N 3.27Å; Y92-K94 VanDerWaalsContact C-N 3.32Å; Y92-K94 PolarHBondContact O-N 3.1Å; K94-R97 PolarHBondContact O-N 2.95Å; K94-K98 PolarHBondContact O-N 3.09Å
95L89.4Confident91.1Very high32 Ų3275.9 Ų75.917%0.16836%0.358CS..Hα-helixtrans-64.6-44.2-176.8-68.8159.1000112A10 M14 I91 Y92 R97 K98 L99A10-L95 VanDerWaalsContact O-CD2 3.22Å; A10-L95 WeakPolarHBondContact O-CD2 3.36Å; M14-L95 HydrophobicContact CB-CD1 4.33Å; M14-L95 HydrophobicContact CE-CB 4.36Å; M14-L95 HydrophobicContact CE-CD1 3.8Å; M14-L95 HydrophobicContact CE-CD2 4.27Å; M14-L95 HydrophobicContact CE-CG 4.38Å; M14-L95 HydrophobicContact CG-CD1 3.64Å; M14-L95 HydrophobicContact SD-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CD1 3.44Å; I91-L95 VanDerWaalsContact CG2-CD1 3.44Å; I91-L95 HydrophobicContact CG2-CG 4.35Å; I91-L95 WeakPolarHBondContact O-CD1 3.39Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.45Å; I91-L95 PolarHBondContact O-N 3.43Å; Y92-L95 PolarHBondContact O-N 2.98Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 3.49Å; L95-K98 PolarHBondContact O-N 3.24Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.09Å
96V91.2Very high90.6Very high51 Ų5176.2 Ų76.231%0.30935%0.354SS..Hα-helixtrans-54.8-46.4173171.60000110.8Y92 K98 L99 D100Y92-V96 HydrophobicContact CD1-CG2 4.45Å; Y92-V96 HydrophobicContact CD2-CG2 4.34Å; Y92-V96 HydrophobicContact CE1-CG2 4Å; Y92-V96 HydrophobicContact CE2-CG2 3.89Å; Y92-V96 WeakPolarHBondContact O-CG2 3.49Å; Y92-V96 PolarHBondContact O-N 2.76Å; V96-K98 PolarHBondContact O-N 3.25Å; V96-L99 PolarHBondContact O-N 2.98Å; V96-D100 WeakPolarHBondContact CG1-OD2 3.35Å; V96-D100 PolarHBondContact O-N 3.43Å
97R90.1Very high90.2Very high104 Ų10475.4 Ų75.439%0.39235%0.346SS..Hα-helixtrans-63.8-40.8177.1-66.4174.8-165.5143.23.3113.5R93 K94 L95 L99 D100 I101R93-R97 WeakPolarHBondContact O-CG 3.41Å; K94-R97 PolarHBondContact O-N 2.95Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 3.49Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-D100 PolarHBondContact O-N 2.9Å; R97-I101 WeakPolarHBondContact O-CB 3.32Å; R97-I101 WeakPolarHBondContact O-CD1 3.29Å; R97-I101 VanDerWaalsContact O-CG1 3.26Å; R97-I101 WeakPolarHBondContact O-CG1 3.41Å; R97-I101 PolarHBondContact O-N 3.44Å
98K87.5Confident90Very high83 Ų8376.3 Ų76.336%0.36135%0.35SS..Hα-helixtrans-60.2-46.9175.5-173.2179.2176.8-169.60109.6A10 K94 L95 V96 D100 I101 E102A10-K98 HydrophobicContact CB-CD 3.76Å; A10-K98 HydrophobicContact CB-CG 4.41Å; K94-K98 PolarHBondContact O-N 3.09Å; L95-K98 PolarHBondContact O-N 3.24Å; V96-K98 PolarHBondContact O-N 3.25Å; K98-D100 PolarHBondContact O-N 3.41Å; K98-I101 PolarHBondContact O-N 3.08Å; K98-E102 HydrophobicContact CG-CG 4.43Å; K98-E102 WeakPolarHBondContact O-CG 3.39Å; K98-E102 PolarHBondContact O-N 2.96Å
99L89.1Confident89.8Confident34 Ų3478.9 Ų78.918%0.17836%0.361CS..Hα-helixtrans-64.5-39.8178.9-63169.4000112.5F7 A10 I11 L95 V96 R97 I101 E102 L103F7-L99 HydrophobicContact CD1-CD2 3.61Å; F7-L99 HydrophobicContact CE1-CB 4.41Å; F7-L99 HydrophobicContact CE1-CD2 3.58Å; F7-L99 HydrophobicContact CG-CD2 4.42Å; F7-L99 HydrophobicContact CZ-CD2 4.35Å; A10-L99 HydrophobicContact CB-CD2 4.17Å; I11-L99 HydrophobicContact CD1-CD1 4.13Å; I11-L99 HydrophobicContact CD1-CD2 3.86Å; I11-L99 HydrophobicContact CG1-CD1 4.31Å; I11-L99 HydrophobicContact CG1-CD2 4.04Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.09Å; V96-L99 PolarHBondContact O-N 2.98Å; R97-L99 VanDerWaalsContact C-N 3.32Å; L99-I101 VanDerWaalsContact C-N 3.32Å; L99-I101 PolarHBondContact O-N 3.05Å; L99-E102 PolarHBondContact O-N 2.91Å; L99-L103 WeakPolarHBondContact O-CB 3.14Å; L99-L103 WeakPolarHBondContact O-CG 3.35Å; L99-L103 PolarHBondContact O-N 3.02Å
100D90.7Very high89.5Confident90 Ų9075.3 Ų75.348%0.48135%0.35SS..Hα-helixtrans-62.2-38.4174.1-66.6-30.6000111.7V96 R97 K98 E104V96-D100 WeakPolarHBondContact CG1-OD2 3.35Å; V96-D100 PolarHBondContact O-N 3.43Å; R97-D100 PolarHBondContact O-N 2.9Å; K98-D100 PolarHBondContact O-N 3.41Å; D100-E104 PolarHBondContact O-N 3.11Å; D100-E104 VanDerWaalsContact O-N 3.14Å
101I88.6Confident89.4Confident52 Ų5276.6 Ų76.627%0.26735%0.351SS..Hα-helixtrans-69.1-45176.7-70.6164.8000111.5R97 K98 L99 L103 E104 K105 Y451R97-I101 WeakPolarHBondContact O-CB 3.32Å; R97-I101 WeakPolarHBondContact O-CD1 3.29Å; R97-I101 VanDerWaalsContact O-CG1 3.26Å; R97-I101 WeakPolarHBondContact O-CG1 3.41Å; R97-I101 PolarHBondContact O-N 3.44Å; K98-I101 PolarHBondContact O-N 3.08Å; L99-I101 VanDerWaalsContact C-N 3.32Å; L99-I101 PolarHBondContact O-N 3.05Å; I101-L103 VanDerWaalsContact C-N 3.34Å; I101-E104 PolarHBondContact O-N 2.9Å; I101-K105 HydrophobicContact CG2-CD 4.23Å; I101-K105 WeakPolarHBondContact O-CG 3.32Å; I101-K105 PolarHBondContact O-N 3.35Å; I101-Y451 HydrophobicContact CD1-CD2 4.16Å; I101-Y451 HydrophobicContact CD1-CE1 4.37Å; I101-Y451 HydrophobicContact CD1-CE2 3.96Å; I101-Y451 HydrophobicContact CD1-CG 4.47Å
102E86.7Confident89.5Confident31 Ų3178.8 Ų78.815%0.14538%0.375CS..Hα-helixtrans-69.1-30.7176.9-56.9-4113100112.4F7 K98 L99 K105 F106F7-E102 HydrophobicContact CD2-CB 4.19Å; F7-E102 HydrophobicContact CE2-CB 3.68Å; F7-E102 HydrophobicContact CZ-CB 4.33Å; K98-E102 HydrophobicContact CG-CG 4.43Å; K98-E102 WeakPolarHBondContact O-CG 3.39Å; K98-E102 PolarHBondContact O-N 2.96Å; L99-E102 PolarHBondContact O-N 2.91Å; E102-K105 IonicContact OE1-NZ 3.19Å; E102-K105 PolarHBondContact OE1-NZ 2.92Å; E102-K105 WeakPolarHBondContact OE2-CD 3.47Å; E102-K105 WeakPolarHBondContact OE2-CE 3.42Å; E102-K105 IonicContact OE2-NZ 2.83Å; E102-K105 PolarHBondContact OE2-NZ 3.3Å; E102-F106 WeakPolarHBondContact O-CB 3.26Å; E102-F106 PolarHBondContact O-N 3.3Å
103L88.3Confident89.3Confident95 Ų9578.7 Ų78.750%0.49738%0.384SS..Hα-helixtrans-60.3-46.1168.3-79.5-176.1000111.6F7 L99 I101 F106 R107F7-L103 HydrophobicContact CE1-CD2 4.43Å; F7-L103 HydrophobicContact CE2-CD2 4.36Å; F7-L103 HydrophobicContact CZ-CD2 3.63Å; F7-L103 HydrophobicContact CZ-CG 3.83Å; L99-L103 WeakPolarHBondContact O-CB 3.14Å; L99-L103 WeakPolarHBondContact O-CG 3.35Å; L99-L103 PolarHBondContact O-N 3.02Å; I101-L103 VanDerWaalsContact C-N 3.34Å; L103-F106 PolarHBondContact O-N 3.34Å; L103-R107 WeakPolarHBondContact O-CB 3.11Å; L103-R107 PolarHBondContact O-N 2.98Å
104E89.4Confident89Confident94 Ų9479.8 Ų79.844%0.43940%0.396SS..Hα-helixtrans-74.8-36-174.1-168.459.5-159.100112.5D100 I101 R107 I108D100-E104 PolarHBondContact O-N 3.11Å; D100-E104 VanDerWaalsContact O-N 3.14Å; I101-E104 PolarHBondContact O-N 2.9Å; E104-R107 WeakPolarHBondContact O-CB 3.45Å; E104-R107 PolarHBondContact O-N 3.27Å; E104-R107 WeakPolarHBondContact OE1-CD 3.45Å; E104-R107 VanDerWaalsContact OE2-CD 3.25Å; E104-R107 WeakPolarHBondContact OE2-CD 3.29Å; E104-I108 HydrophobicContact CG-CD1 4.18Å; E104-I108 WeakPolarHBondContact O-CD1 3.47Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.41Å; E104-I108 PolarHBondContact O-N 2.9Å
105K87.6Confident89.1Confident98 Ų9878.9 Ų78.943%0.42641%0.406SS..Hα-helixtrans-55.2-55.5167.7-74160.9164-1800111I101 E102 R107 I108 E109I101-K105 HydrophobicContact CG2-CD 4.23Å; I101-K105 WeakPolarHBondContact O-CG 3.32Å; I101-K105 PolarHBondContact O-N 3.35Å; E102-K105 IonicContact OE1-NZ 3.19Å; E102-K105 PolarHBondContact OE1-NZ 2.92Å; E102-K105 WeakPolarHBondContact OE2-CD 3.47Å; E102-K105 WeakPolarHBondContact OE2-CE 3.42Å; E102-K105 IonicContact OE2-NZ 2.83Å; E102-K105 PolarHBondContact OE2-NZ 3.3Å; K105-R107 VanDerWaalsContact C-N 3.25Å; K105-R107 PolarHBondContact O-N 3.25Å; K105-I108 PolarHBondContact O-N 2.89Å; K105-E109 WeakPolarHBondContact O-CG 3.26Å; K105-E109 PolarHBondContact O-N 3.27Å
106F86.3Confident89.1Confident78 Ų7878.7 Ų78.734%0.34241%0.412SS..Hα-helixtrans-60.5-33.9179.4-179.5-118.4000112.7Y3 E102 L103 L110Y3-F106 HydrophobicContact CD1-CB 4.46Å; Y3-F106 AromaticContact CD1-CD2 3.98Å; Y3-F106 HydrophobicContact CD1-CD2 3.98Å; Y3-F106 AromaticContact CD2-CD2 3.35Å; Y3-F106 HydrophobicContact CD2-CD2 3.35Å; Y3-F106 AromaticContact CD2-CE2 3.45Å; Y3-F106 HydrophobicContact CD2-CE2 3.45Å; Y3-F106 VanDerWaalsContact CD2-CE2 3.45Å; Y3-F106 HydrophobicContact CD2-CG 4.49Å; Y3-F106 HydrophobicContact CE1-CD2 4.24Å; Y3-F106 AromaticContact CE2-CD2 3.65Å; Y3-F106 HydrophobicContact CE2-CD2 3.65Å; Y3-F106 AromaticContact CE2-CE2 3.75Å; Y3-F106 HydrophobicContact CE2-CE2 3.75Å; Y3-F106 AromaticContact CG-CD2 3.53Å; Y3-F106 HydrophobicContact CG-CD2 3.53Å; Y3-F106 HydrophobicContact CG-CE2 4.06Å; Y3-F106 HydrophobicContact CG-CG 4.32Å; E102-F106 WeakPolarHBondContact O-CB 3.26Å; E102-F106 PolarHBondContact O-N 3.3Å; L103-F106 PolarHBondContact O-N 3.34Å; F106-L110 HydrophobicContact CD1-CD1 4.12Å; F106-L110 HydrophobicContact CD2-CG 4.38Å; F106-L110 HydrophobicContact CE1-CD1 3.6Å; F106-L110 HydrophobicContact CE1-CG 4.41Å; F106-L110 HydrophobicContact CE2-CD1 4.06Å; F106-L110 HydrophobicContact CE2-CD2 4.34Å; F106-L110 HydrophobicContact CE2-CG 4.01Å; F106-L110 HydrophobicContact CZ-CD1 3.57Å; F106-L110 HydrophobicContact CZ-CD2 4.37Å; F106-L110 HydrophobicContact CZ-CG 4.04Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 WeakPolarHBondContact O-CG 3.35Å; F106-L110 PolarHBondContact O-N 2.8Å; F106-L110 VanDerWaalsContact O-N 3.09Å
107R89.4Confident89.1Confident86 Ų8677.9 Ų77.933%0.32541%0.405SS..Hα-helixtrans-61.1-52.1172-174.2-152.4177.183.724.5111.3L103 E104 K105 L110 E111 T118 E122L103-R107 WeakPolarHBondContact O-CB 3.11Å; L103-R107 PolarHBondContact O-N 2.98Å; E104-R107 WeakPolarHBondContact O-CB 3.45Å; E104-R107 PolarHBondContact O-N 3.27Å; E104-R107 WeakPolarHBondContact OE1-CD 3.45Å; E104-R107 VanDerWaalsContact OE2-CD 3.25Å; E104-R107 WeakPolarHBondContact OE2-CD 3.29Å; K105-R107 VanDerWaalsContact C-N 3.25Å; K105-R107 PolarHBondContact O-N 3.25Å; R107-L110 PolarHBondContact O-N 2.93Å; R107-E111 IonicContact CZ-OE1 2.93Å; R107-E111 IonicContact NE-OE1 3.92Å; R107-E111 PolarHBondContact NE-OE1 2.98Å; R107-E111 IonicContact NH2-OE1 2.73Å; R107-E111 PolarHBondContact NH2-OE1 3.04Å; R107-E111 WeakPolarHBondContact O-CG 3.4Å; R107-E111 PolarHBondContact O-N 3.17Å; R107-T118 HydrophobicContact CG-CG2 3.84Å; R107-E122 IonicContact NH1-OE1 2.73Å
108I90.4Very high89.1Confident101 Ų10173.4 Ų73.452%0.51839%0.389SS..Hα-helixtrans-62.2-44.5-177.9-69.6164000110.5E104 K105 E111 A112E104-I108 HydrophobicContact CG-CD1 4.18Å; E104-I108 WeakPolarHBondContact O-CD1 3.47Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.41Å; E104-I108 PolarHBondContact O-N 2.9Å; K105-I108 PolarHBondContact O-N 2.89Å; I108-E111 PolarHBondContact O-N 3.11Å; I108-A112 WeakPolarHBondContact O-CB 3.31Å; I108-A112 PolarHBondContact O-N 3.3Å
109E89.7Confident89.1Confident89 Ų8974.4 Ų74.442%0.41640%0.396SS..Hα-helixtrans-65.8-39.5-179.7-68.7176-93.500111.9Y3 K105 A112 D113Y3-E109 WeakPolarHBondContact CE1-OE1 3.27Å; Y3-E109 PolarHBondContact OH-OE2 3.3Å; Y3-E109 VanDerWaalsContact OH-OE2 3.11Å; K105-E109 WeakPolarHBondContact O-CG 3.26Å; K105-E109 PolarHBondContact O-N 3.27Å; E109-A112 PolarHBondContact O-N 2.85Å; E109-D113 PolarHBondContact O-N 3.08Å
110L88.8Confident89.2Confident42 Ų4277 Ų7722%0.2241%0.407CS..Hα-helixtrans-64.1-41.1170.9-78.7-179000113.1F106 R107 A112 D113 N114 I117 T118 I121F106-L110 HydrophobicContact CD1-CD1 4.12Å; F106-L110 HydrophobicContact CD2-CG 4.38Å; F106-L110 HydrophobicContact CE1-CD1 3.6Å; F106-L110 HydrophobicContact CE1-CG 4.41Å; F106-L110 HydrophobicContact CE2-CD1 4.06Å; F106-L110 HydrophobicContact CE2-CD2 4.34Å; F106-L110 HydrophobicContact CE2-CG 4.01Å; F106-L110 HydrophobicContact CZ-CD1 3.57Å; F106-L110 HydrophobicContact CZ-CD2 4.37Å; F106-L110 HydrophobicContact CZ-CG 4.04Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 WeakPolarHBondContact O-CG 3.35Å; F106-L110 PolarHBondContact O-N 2.8Å; F106-L110 VanDerWaalsContact O-N 3.09Å; R107-L110 PolarHBondContact O-N 2.93Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-D113 PolarHBondContact O-N 3.14Å; L110-N114 PolarHBondContact O-N 3.35Å; L110-I117 HydrophobicContact CB-CG2 3.81Å; L110-I117 WeakPolarHBondContact O-CG2 3.29Å; L110-T118 HydrophobicContact CB-CG2 4.04Å; L110-T118 HydrophobicContact CD1-CG2 4.36Å; L110-I121 HydrophobicContact CD1-CD1 4.23Å
111E91.4Very high89.1Confident66 Ų6676.1 Ų76.131%0.30840%0.401SS..Hα-helixtrans-71.7-25.9179.1-75.1-177.7-15900113.1R107 I108 N114 S115 T118R107-E111 IonicContact CZ-OE1 2.93Å; R107-E111 IonicContact NE-OE1 3.92Å; R107-E111 PolarHBondContact NE-OE1 2.98Å; R107-E111 IonicContact NH2-OE1 2.73Å; R107-E111 PolarHBondContact NH2-OE1 3.04Å; R107-E111 WeakPolarHBondContact O-CG 3.4Å; R107-E111 PolarHBondContact O-N 3.17Å; I108-E111 PolarHBondContact O-N 3.11Å; E111-N114 CarbonylContact O-C 3.54Å; E111-S115 WeakPolarHBondContact O-CA 3.36Å; E111-S115 PolarHBondContact O-N 3.07Å; E111-T118 VanDerWaalsContact CD-OG1 3.3Å; E111-T118 HydrophobicContact CG-CG2 3.66Å; E111-T118 WeakPolarHBondContact CG-OG1 3.27Å; E111-T118 WeakPolarHBondContact OE1-CB 3.38Å; E111-T118 PolarHBondContact OE1-OG1 2.88Å
112A91.1Very high89.1Confident85 Ų8577.9 Ų77.970%0.70241%0.408SS*.Hα-helixtrans-69.8-44.8171.800000112.1I108 E109 L110I108-A112 WeakPolarHBondContact O-CB 3.31Å; I108-A112 PolarHBondContact O-N 3.3Å; E109-A112 PolarHBondContact O-N 2.85Å; L110-A112 VanDerWaalsContact C-N 3.33Å
113D87.7Confident89.2Confident135 Ų13581.8 Ų81.872%0.72243%0.425SS*.Hα-helixtrans-64.4-46.4175.2-104.44.2000111.9E109 L110E109-D113 PolarHBondContact O-N 3.08Å; L110-D113 PolarHBondContact O-N 3.14Å
114N87Confident89.4Confident100 Ų10084.4 Ų84.454%0.53543%0.428SS..SBendtrans-147.799.5-176.8-75.8-97.5000110.5L110 E111 G116 I117L110-N114 PolarHBondContact O-N 3.35Å; E111-N114 CarbonylContact O-C 3.54Å; N114-G116 PolarHBondContact O-N 3.31Å; N114-I117 HydrophobicContact CB-CB 3.78Å; N114-I117 HydrophobicContact CB-CG1 4.33Å; N114-I117 HydrophobicContact CB-CG2 4.07Å; N114-I117 VanDerWaalsContact O-CB 3.23Å; N114-I117 WeakPolarHBondContact O-CB 3.48Å; N114-I117 WeakPolarHBondContact O-CG2 3.45Å; N114-I117 PolarHBondContact O-N 3.28Å
115S90Very high89.4Confident111 Ų11183.5 Ų83.578%0.77643%0.429SS*.THydrogen-bonded Turntrans-57.4128-177.955.60000112.7E111 I117E111-S115 WeakPolarHBondContact O-CA 3.36Å; E111-S115 PolarHBondContact O-N 3.07Å; S115-I117 VanDerWaalsContact C-N 3.33Å; S115-I117 PolarHBondContact O-N 3.1Å
116G89.8Confident89.4Confident28 Ų2885 Ų8529%0.28944%0.437SS..THydrogen-bonded Turntrans74.69.6-175.200000115.8N114 T118 E119 Q120N114-G116 PolarHBondContact O-N 3.31Å; G116-T118 PolarHBondContact O-N 2.68Å; G116-E119 PolarHBondContact O-N 2.79Å; G116-Q120 WeakPolarHBondContact O-CG 3.29Å; G116-Q120 PolarHBondContact O-N 2.88Å; G116-Q120 VanDerWaalsContact O-N 3.13Å
117I91.3Very high89.5Confident33 Ų3385.1 Ų85.117%0.16944%0.441CS..Hα-helixtrans-63.6-32.3173.5-164.760.9000112L110 N114 S115 Q120 I121L110-I117 HydrophobicContact CB-CG2 3.81Å; L110-I117 WeakPolarHBondContact O-CG2 3.29Å; N114-I117 HydrophobicContact CB-CB 3.78Å; N114-I117 HydrophobicContact CB-CG1 4.33Å; N114-I117 HydrophobicContact CB-CG2 4.07Å; N114-I117 VanDerWaalsContact O-CB 3.23Å; N114-I117 WeakPolarHBondContact O-CB 3.48Å; N114-I117 WeakPolarHBondContact O-CG2 3.45Å; N114-I117 PolarHBondContact O-N 3.28Å; S115-I117 VanDerWaalsContact C-N 3.33Å; S115-I117 PolarHBondContact O-N 3.1Å; I117-Q120 CarbonylContact O-C 3.54Å; I117-Q120 WeakPolarHBondContact O-CB 3.07Å; I117-Q120 PolarHBondContact O-N 3.39Å; I117-I121 HydrophobicContact CG1-CD1 4.01Å; I117-I121 HydrophobicContact CG1-CG1 4.47Å; I117-I121 WeakPolarHBondContact O-CB 3.41Å; I117-I121 VanDerWaalsContact O-CG1 3.25Å; I117-I121 WeakPolarHBondContact O-CG1 3.4Å; I117-I121 PolarHBondContact O-N 3Å
118T89.7Confident89.3Confident10 Ų1083.9 Ų83.96%0.06145%0.45CS..Hα-helixtrans-59.2-54.5173.747.40000111.5R107 L110 E111 G116 Q120 I121 E122R107-T118 HydrophobicContact CG-CG2 3.84Å; L110-T118 HydrophobicContact CB-CG2 4.04Å; L110-T118 HydrophobicContact CD1-CG2 4.36Å; E111-T118 VanDerWaalsContact CD-OG1 3.3Å; E111-T118 HydrophobicContact CG-CG2 3.66Å; E111-T118 WeakPolarHBondContact CG-OG1 3.27Å; E111-T118 WeakPolarHBondContact OE1-CB 3.38Å; E111-T118 PolarHBondContact OE1-OG1 2.88Å; G116-T118 PolarHBondContact O-N 2.68Å; T118-Q120 VanDerWaalsContact C-N 3.25Å; T118-Q120 PolarHBondContact O-N 3.04Å; T118-I121 PolarHBondContact O-N 2.93Å; T118-E122 WeakPolarHBondContact O-CG 3.48Å; T118-E122 PolarHBondContact O-N 3.36Å
119E89.2Confident88.8Confident105 Ų10584.1 Ų84.149%0.49145%0.452SS..Hα-helixtrans-57.6-40.4174.9-162.3-138.7130.400110.8G116 I121 K123G116-E119 PolarHBondContact O-N 2.79Å; E119-I121 PolarHBondContact O-N 3.47Å; E119-K123 WeakPolarHBondContact O-CB 3.05Å; E119-K123 PolarHBondContact O-N 3.35Å; E119-K123 IonicContact OE1-NZ 3.54Å; E119-K123 PolarHBondContact OE1-NZ 2.8Å
120Q90.2Very high87.7Confident89 Ų8981.6 Ų81.642%0.41645%0.45SS..Hα-helixtrans-63.2-40.8174.8-70.7-174.958.500112.9G116 I117 T118 R124G116-Q120 WeakPolarHBondContact O-CG 3.29Å; G116-Q120 PolarHBondContact O-N 2.88Å; G116-Q120 VanDerWaalsContact O-N 3.13Å; I117-Q120 CarbonylContact O-C 3.54Å; I117-Q120 WeakPolarHBondContact O-CB 3.07Å; I117-Q120 PolarHBondContact O-N 3.39Å; T118-Q120 VanDerWaalsContact C-N 3.25Å; T118-Q120 PolarHBondContact O-N 3.04Å; Q120-R124 WeakPolarHBondContact O-CB 3.34Å; Q120-R124 VanDerWaalsContact O-CD 3.31Å; Q120-R124 WeakPolarHBondContact O-CD 3.26Å; Q120-R124 WeakPolarHBondContact O-CG 3.47Å; Q120-R124 PolarHBondContact O-N 3.2Å
121I88.5Confident86.4Confident71 Ų7185.4 Ų85.436%0.36446%0.464SS..Hα-helixtrans-67.3-51.2177.6-71.3162.7000110L110 I117 T118 E119 K123 R124 V125L110-I121 HydrophobicContact CD1-CD1 4.23Å; I117-I121 HydrophobicContact CG1-CD1 4.01Å; I117-I121 HydrophobicContact CG1-CG1 4.47Å; I117-I121 WeakPolarHBondContact O-CB 3.41Å; I117-I121 VanDerWaalsContact O-CG1 3.25Å; I117-I121 WeakPolarHBondContact O-CG1 3.4Å; I117-I121 PolarHBondContact O-N 3Å; T118-I121 PolarHBondContact O-N 2.93Å; E119-I121 PolarHBondContact O-N 3.47Å; I121-K123 VanDerWaalsContact C-N 3.31Å; I121-K123 PolarHBondContact O-N 3.32Å; I121-R124 WeakPolarHBondContact O-CB 3.35Å; I121-R124 PolarHBondContact O-N 3.5Å; I121-R124 VanDerWaalsContact O-N 3.08Å; I121-V125 HydrophobicContact CG2-CG2 4.31Å; I121-V125 WeakPolarHBondContact O-CG2 3.25Å; I121-V125 PolarHBondContact O-N 3.01Å
122E88.1Confident84.7Confident88 Ų8884.2 Ų84.241%0.41147%0.466SS..Hα-helixtrans-52.9-48.9175.4-71.8177.8-155.500111.1R107 T118 R124 V125 Q126R107-E122 IonicContact NH1-OE1 2.73Å; T118-E122 WeakPolarHBondContact O-CG 3.48Å; T118-E122 PolarHBondContact O-N 3.36Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.06Å; E122-V125 PolarHBondContact O-N 3.33Å; E122-Q126 WeakPolarHBondContact O-CB 3.23Å; E122-Q126 VanDerWaalsContact O-CG 3.29Å; E122-Q126 WeakPolarHBondContact O-CG 3.5Å; E122-Q126 PolarHBondContact O-N 2.97Å
123K90.4Very high83.1Confident114 Ų11486 Ų8650%0.49646%0.462SS..Hα-helixtrans-64.4-34.5179-166.3177.1-138.4151.80112.4E119 I121 N127E119-K123 WeakPolarHBondContact O-CB 3.05Å; E119-K123 PolarHBondContact O-N 3.35Å; E119-K123 IonicContact OE1-NZ 3.54Å; E119-K123 PolarHBondContact OE1-NZ 2.8Å; I121-K123 VanDerWaalsContact C-N 3.31Å; I121-K123 PolarHBondContact O-N 3.32Å; K123-N127 VanDerWaalsContact O-CB 3.27Å; K123-N127 WeakPolarHBondContact O-CB 3.41Å; K123-N127 PolarHBondContact O-N 2.97Å; K123-N127 VanDerWaalsContact O-N 3.14Å; K123-N127 PolarHBondContact O-ND2 3.14Å
124R91.5Very high81.5Confident149 Ų14983.9 Ų83.956%0.56246%0.455SS*.Hα-helixtrans-68.9-43.9171.7-71.6163.1-160.3-166.19.5111.2Q120 I121 E122 N127 A128Q120-R124 WeakPolarHBondContact O-CB 3.34Å; Q120-R124 VanDerWaalsContact O-CD 3.31Å; Q120-R124 WeakPolarHBondContact O-CD 3.26Å; Q120-R124 WeakPolarHBondContact O-CG 3.47Å; Q120-R124 PolarHBondContact O-N 3.2Å; I121-R124 WeakPolarHBondContact O-CB 3.35Å; I121-R124 PolarHBondContact O-N 3.5Å; I121-R124 VanDerWaalsContact O-N 3.08Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.06Å; R124-N127 WeakPolarHBondContact O-CB 3.45Å; R124-N127 PolarHBondContact O-N 2.86Å; R124-A128 PolarHBondContact O-N 2.78Å
125V89.7Confident80.1Confident75 Ų7583.3 Ų83.346%0.45546%0.455SS..Hα-helixtrans-65.9-47.9179.2170.80000111.5I121 E122 N127 A128 L129I121-V125 HydrophobicContact CG2-CG2 4.31Å; I121-V125 WeakPolarHBondContact O-CG2 3.25Å; I121-V125 PolarHBondContact O-N 3.01Å; E122-V125 PolarHBondContact O-N 3.33Å; V125-N127 VanDerWaalsContact C-N 3.28Å; V125-N127 PolarHBondContact O-N 2.73Å; V125-A128 WeakPolarHBondContact O-CB 3.49Å; V125-A128 PolarHBondContact O-N 3.01Å; V125-L129 HydrophobicContact CG1-CD1 3.79Å; V125-L129 HydrophobicContact CG1-CG 4.3Å; V125-L129 WeakPolarHBondContact O-CG 3.49Å; V125-L129 PolarHBondContact O-N 3.36Å
126Q86.5Confident78.4Confident130 Ų13082.7 Ų82.761%0.60744%0.443SS*.Hα-helixtrans-57.8-41.2173.2-70.4175.818.700111.4E122 A128 G130E122-Q126 WeakPolarHBondContact O-CB 3.23Å; E122-Q126 VanDerWaalsContact O-CG 3.29Å; E122-Q126 WeakPolarHBondContact O-CG 3.5Å; E122-Q126 PolarHBondContact O-N 2.97Å; Q126-A128 VanDerWaalsContact C-N 3.34Å; Q126-A128 PolarHBondContact O-N 2.96Å; Q126-G130 PolarHBondContact O-N 2.99Å
127N88.8Confident76.9Confident80 Ų8084.1 Ų84.143%0.42845%0.448SS..Hα-helixtrans-63.3-36.7173.8-96.5-81.7000113.1K123 R124 V125 K131K123-N127 VanDerWaalsContact O-CB 3.27Å; K123-N127 WeakPolarHBondContact O-CB 3.41Å; K123-N127 PolarHBondContact O-N 2.97Å; K123-N127 VanDerWaalsContact O-N 3.14Å; K123-N127 PolarHBondContact O-ND2 3.14Å; R124-N127 WeakPolarHBondContact O-CB 3.45Å; R124-N127 PolarHBondContact O-N 2.86Å; V125-N127 VanDerWaalsContact C-N 3.28Å; V125-N127 PolarHBondContact O-N 2.73Å; N127-K131 WeakPolarHBondContact O-CB 3.42Å; N127-K131 WeakPolarHBondContact O-CD 3.03Å; N127-K131 WeakPolarHBondContact O-CE 3.46Å; N127-K131 WeakPolarHBondContact O-CG 3.45Å; N127-K131 PolarHBondContact O-N 2.95Å; N127-K131 WeakPolarHBondContact OD1-CE 3.47Å; N127-K131 PolarHBondContact OD1-NZ 3.21Å
128A85.3Confident75.2Confident61 Ų6190.8 Ų90.850%0.50448%0.476SS..Hα-helixtrans-70.4-51.4176.700000111.4R124 V125 Q126 K131 A132R124-A128 PolarHBondContact O-N 2.78Å; V125-A128 WeakPolarHBondContact O-CB 3.49Å; V125-A128 PolarHBondContact O-N 3.01Å; Q126-A128 VanDerWaalsContact C-N 3.34Å; Q126-A128 PolarHBondContact O-N 2.96Å; A128-K131 PolarHBondContact O-N 3.18Å; A128-A132 PolarHBondContact O-N 2.85Å
129L79.2Confident73.7Confident106 Ų10691.9 Ų91.956%0.55549%0.486SS*.Hα-helixtrans-65.6-43.2-178.2-65175.2000112.3V125 K131 A132 I133V125-L129 HydrophobicContact CG1-CD1 3.79Å; V125-L129 HydrophobicContact CG1-CG 4.3Å; V125-L129 WeakPolarHBondContact O-CG 3.49Å; V125-L129 PolarHBondContact O-N 3.36Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.29Å; L129-A132 WeakPolarHBondContact O-CB 3.28Å; L129-A132 PolarHBondContact O-N 3.4Å; L129-A132 VanDerWaalsContact O-N 3.11Å; L129-I133 WeakPolarHBondContact O-CG1 3.49Å; L129-I133 PolarHBondContact O-N 3.48Å
130G67.9Low72.4Confident36 Ų3690.6 Ų90.637%0.37148%0.48SS..Hα-helixtrans-62-34.4175.300000113.3Q126 T134Q126-G130 PolarHBondContact O-N 2.99Å; G130-T134 WeakPolarHBondContact O-CG2 3.42Å; G130-T134 PolarHBondContact O-N 2.83Å; G130-T134 PolarHBondContact O-OG1 3.08Å
131K61.4Low71Confident121 Ų12195 Ų9553%0.52649%0.493SS..Hα-helixtrans-73.7-36.2172.8-70.6168.8-159.9168.10111.6N127 A128 L129 T134 T135N127-K131 WeakPolarHBondContact O-CB 3.42Å; N127-K131 WeakPolarHBondContact O-CD 3.03Å; N127-K131 WeakPolarHBondContact O-CE 3.46Å; N127-K131 WeakPolarHBondContact O-CG 3.45Å; N127-K131 PolarHBondContact O-N 2.95Å; N127-K131 WeakPolarHBondContact OD1-CE 3.47Å; N127-K131 PolarHBondContact OD1-NZ 3.21Å; A128-K131 PolarHBondContact O-N 3.18Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.29Å; K131-T134 PolarHBondContact O-N 3.19Å; K131-T134 PolarHBondContact O-OG1 2.96Å; K131-T135 WeakPolarHBondContact O-CB 3.3Å; K131-T135 VanDerWaalsContact O-CG2 3.28Å; K131-T135 WeakPolarHBondContact O-CG2 3.33Å; K131-T135 PolarHBondContact O-N 3.41Å; K131-T135 PolarHBondContact O-OG1 2.9Å
132A56Low69.6Low42 Ų42100.8 Ų100.835%0.34751%0.51SS..Hα-helixtrans-63.6-42.1175.100000112.3A128 L129 T135 N136A128-A132 PolarHBondContact O-N 2.85Å; L129-A132 WeakPolarHBondContact O-CB 3.28Å; L129-A132 PolarHBondContact O-N 3.4Å; L129-A132 VanDerWaalsContact O-N 3.11Å; A132-T135 PolarHBondContact O-OG1 3.47Å; A132-N136 WeakPolarHBondContact O-CB 3.21Å; A132-N136 PolarHBondContact O-N 3.27Å; A132-N136 VanDerWaalsContact O-N 3.09Å; A132-N136 PolarHBondContact O-ND2 2.99Å
133I56.4Low68.4Low122 Ų122104.2 Ų104.263%0.62652%0.519SS*.Hα-helixtrans-65.5-46.1177.5-66165.4000111L129 S137L129-I133 WeakPolarHBondContact O-CG1 3.49Å; L129-I133 PolarHBondContact O-N 3.48Å; I133-S137 WeakPolarHBondContact O-CB 3.38Å; I133-S137 PolarHBondContact O-N 3.09Å
134T55.4Low67.1Low91 Ų91103.7 Ų103.756%0.55852%0.519SS*.Hα-helixtrans-72.6-34.7-17750.30000113.7G130 K131 K138G130-T134 WeakPolarHBondContact O-CG2 3.42Å; G130-T134 PolarHBondContact O-N 2.83Å; G130-T134 PolarHBondContact O-OG1 3.08Å; K131-T134 PolarHBondContact O-N 3.19Å; K131-T134 PolarHBondContact O-OG1 2.96Å; T134-K138 PolarHBondContact O-N 2.94Å
135T57.2Low65.6Low88 Ų88106.5 Ų106.554%0.5453%0.529SS..Hα-helixtrans-70-46.9174.4520000111.7K131 A132 S137 K138 A139K131-T135 WeakPolarHBondContact O-CB 3.3Å; K131-T135 VanDerWaalsContact O-CG2 3.28Å; K131-T135 WeakPolarHBondContact O-CG2 3.33Å; K131-T135 PolarHBondContact O-N 3.41Å; K131-T135 PolarHBondContact O-OG1 2.9Å; A132-T135 PolarHBondContact O-OG1 3.47Å; T135-S137 PolarHBondContact O-N 2.82Å; T135-K138 PolarHBondContact O-N 3.33Å; T135-A139 PolarHBondContact O-N 2.72Å; T135-A139 VanDerWaalsContact O-N 3.08Å
136N53.7Low64.1Low98 Ų98107.2 Ų107.252%0.52453%0.53SS..Hα-helixtrans-66.3-34.3175.5-80.7-48.2000112.8A132 K138 A139 E140A132-N136 WeakPolarHBondContact O-CB 3.21Å; A132-N136 PolarHBondContact O-N 3.27Å; A132-N136 VanDerWaalsContact O-N 3.09Å; A132-N136 PolarHBondContact O-ND2 2.99Å; N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 3.35Å; N136-A139 PolarHBondContact O-N 3.21Å; N136-A139 VanDerWaalsContact O-N 3.1Å; N136-E140 WeakPolarHBondContact O-CB 3.5Å; N136-E140 PolarHBondContact O-N 3.5Å
137S57.5Low62.7Low57 Ų57111 Ų11140%0.39954%0.539SS..Hα-helixtrans-61.7-35.9175.3-173.70000112.8I133 T135 R141I133-S137 WeakPolarHBondContact O-CB 3.38Å; I133-S137 PolarHBondContact O-N 3.09Å; T135-S137 PolarHBondContact O-N 2.82Å; S137-R141 WeakPolarHBondContact O-CB 3.28Å; S137-R141 VanDerWaalsContact O-CG 3.29Å; S137-R141 WeakPolarHBondContact O-CG 3.37Å; S137-R141 PolarHBondContact O-N 2.87Å
138K56.7Low61.1Low173 Ų173116.1 Ų116.175%0.75256%0.558SS**Hα-helixtrans-70-40.9170.1-83.9-179.4176173.60112.5T134 T135 N136 R142T134-K138 PolarHBondContact O-N 2.94Å; T135-K138 PolarHBondContact O-N 3.33Å; N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 3.35Å; K138-R142 PolarHBondContact O-N 2.71Å
139A58.4Low59.9Low34 Ų34120.4 Ų120.428%0.28157%0.567SS.*Hα-helixtrans-65.3-45.8178.700000112.1T135 N136 R142 R143T135-A139 PolarHBondContact O-N 2.72Å; T135-A139 VanDerWaalsContact O-N 3.08Å; N136-A139 PolarHBondContact O-N 3.21Å; N136-A139 VanDerWaalsContact O-N 3.1Å; A139-R142 WeakPolarHBondContact O-CB 3.31Å; A139-R142 PolarHBondContact O-N 3.48Å; A139-R142 VanDerWaalsContact O-N 3.17Å; A139-R143 WeakPolarHBondContact O-CG 3.2Å; A139-R143 PolarHBondContact O-N 3.24Å
140E60.9Low58.7Low77 Ų77122.9 Ų122.936%0.3658%0.576SS.*Hα-helixtrans-72-40.1-177-178.453.3-155.800112N136 R142 R143 Q144N136-E140 WeakPolarHBondContact O-CB 3.5Å; N136-E140 PolarHBondContact O-N 3.5Å; E140-R142 PolarHBondContact O-N 3.18Å; E140-R143 PolarHBondContact O-N 2.88Å; E140-R143 WeakPolarHBondContact OE2-CD 3.27Å; E140-Q144 HydrophobicContact CG-CG 4.4Å; E140-Q144 WeakPolarHBondContact O-CG 3.21Å; E140-Q144 PolarHBondContact O-N 3.43Å; E140-Q144 VanDerWaalsContact OE1-CG 3.23Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.23Å; E140-Q144 PolarHBondContact OE1-NE2 2.94Å
141R60.7Low57.8Low181 Ų181126.4 Ų126.468%0.68360%0.595SS**Hα-helixtrans-59-28.4169.8-74.7-179.2178.3-159.50.2112.7S137 R145S137-R141 WeakPolarHBondContact O-CB 3.28Å; S137-R141 VanDerWaalsContact O-CG 3.29Å; S137-R141 WeakPolarHBondContact O-CG 3.37Å; S137-R141 PolarHBondContact O-N 2.87Å; R141-R145 PolarHBondContact O-N 3.47Å
142R59.6Low56.8Low194 Ų194125.3 Ų125.373%0.73260%0.603SS**Hα-helixtrans-75.5-40.7173.3-161.4173.8-174.9171.20.8111.8K138 A139 E140 L146K138-R142 PolarHBondContact O-N 2.71Å; A139-R142 WeakPolarHBondContact O-CB 3.31Å; A139-R142 PolarHBondContact O-N 3.48Å; A139-R142 VanDerWaalsContact O-N 3.17Å; E140-R142 PolarHBondContact O-N 3.18Å; R142-L146 PolarHBondContact O-N 3.14Å
143R64.3Low56.6Low159 Ų159131.9 Ų131.960%0.663%0.626SS**Hα-helixtrans-63.8-43.5174-65.5177.6-159-1547.3112.1A139 E140 L146 R147A139-R143 WeakPolarHBondContact O-CG 3.2Å; A139-R143 PolarHBondContact O-N 3.24Å; E140-R143 PolarHBondContact O-N 2.88Å; E140-R143 WeakPolarHBondContact OE2-CD 3.27Å; R143-L146 PolarHBondContact O-N 2.99Å; R143-R147 PolarHBondContact O-N 2.83Å
144Q62.7Low55.8Low104 Ų104132.3 Ų132.349%0.48664%0.638SS.*Hα-helixtrans-65.3-39.5178.7-69.3179.65.900112.6E140 L146 R147 F148E140-Q144 HydrophobicContact CG-CG 4.4Å; E140-Q144 WeakPolarHBondContact O-CG 3.21Å; E140-Q144 PolarHBondContact O-N 3.43Å; E140-Q144 VanDerWaalsContact OE1-CG 3.23Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.23Å; E140-Q144 PolarHBondContact OE1-NE2 2.94Å; Q144-L146 VanDerWaalsContact C-N 3.35Å; Q144-L146 PolarHBondContact O-N 3.27Å; Q144-R147 PolarHBondContact O-N 3.28Å; Q144-F148 PolarHBondContact O-N 3.5Å
145R58.5Low55.2Low208 Ų208136.9 Ų136.979%0.78565%0.65SS**Hα-helixtrans-60.9-41.1171.9-86-171.1167.4-157.7-3112.7R141R141-R145 PolarHBondContact O-N 3.47Å
146L59Low54.5Low90 Ų90140.2 Ų140.247%0.47167%0.665SS.*Hα-helixtrans-68.7-40.9178.1-75.1163.4000112.4R142 R143 Q144 F148 Q149R142-L146 PolarHBondContact O-N 3.14Å; R143-L146 PolarHBondContact O-N 2.99Å; Q144-L146 VanDerWaalsContact C-N 3.35Å; Q144-L146 PolarHBondContact O-N 3.27Å; L146-F148 PolarHBondContact O-N 3.02Å; L146-Q149 PolarHBondContact O-N 3.13Å
147R57.6Low53.8Low208 Ų208143 Ų14379%0.78568%0.679SS**Hα-helixtrans-58.3-32.9176.7-105-178.4173.2166.3-1.9113.5R143 Q144 Q149R143-R147 PolarHBondContact O-N 2.83Å; Q144-R147 PolarHBondContact O-N 3.28Å; R147-Q149 VanDerWaalsContact C-N 3.34Å
148F55.8Low52.9Low188 Ų188149.2 Ų149.283%0.82570%0.7SS**THydrogen-bonded Turntrans-81.8-3.8177.7-94.5-81.4000115.1Q144 L146Q144-F148 PolarHBondContact O-N 3.5Å; L146-F148 PolarHBondContact O-N 3.02Å
149Q59Low52.3Low151 Ų151146.4 Ų146.471%0.70670%0.702SS**THydrogen-bonded Turntrans-109.7-9.5-174.6-156.6170.78.400114.4L146 R147L146-Q149 PolarHBondContact O-N 3.13Å; R147-Q149 VanDerWaalsContact C-N 3.34Å
150Q54.4Low51.6Low159 Ų159150.6 Ų150.674%0.74372%0.724SS**SBendtrans-103.5-2.2-172.4-69.9-173.8-28.200115.7S152Q150-S152 PolarHBondContact O-N 3.28Å
151S48.1Very low50.8Low109 Ų109158.5 Ų158.576%0.76275%0.75SS**  trans-93.565.5178.964.20000112.8
152S41.2Very low50.2Low99 Ų99161.6 Ų161.669%0.69276%0.762SS**  trans-137.524.9-174.755.20000115.2Q150Q150-S152 PolarHBondContact O-N 3.28Å
153H51.1Low49.7Very low179 Ų179163.6 Ų163.683%0.82977%0.769SS**  trans-14655.2178.6-149.4-82.6000117.2
154C40.1Very low48.8Very low131 Ų131164 Ų16489%0.88578%0.783SS**  trans-143.9141.4151.757.50000111
155K44.1Very low48.3Very low187 Ų187164.3 Ų164.381%0.81379%0.791SS**  trans-95.4140.3-174.4-57.9168.9-175.8173.30109.7
156N40.8Very low47.6Very low158 Ų158156.3 Ų156.385%0.84577%0.774SS**  -175.5157.2127.6-92.6-15.1000111.4
157N39.4Very low47.7Very low156 Ų156157.7 Ų157.783%0.83479%0.788SS**  trans-92.9129.1-162.1-60-36.1000113.2
158F39.4Very low47.5Very low189 Ų189151.6 Ų151.683%0.82978%0.783SS**  trans-146.2119.7141.4-158-98.2000110.7V160F158-V160 HydrophobicContact CD1-CG2 4.15Å; F158-V160 HydrophobicContact CE1-CG2 4.03Å
159S44.2Very low47.2Very low114 Ų114148.4 Ų148.480%0.79777%0.769SS**  trans-91.4111.3-173-72.90000112
160V43.9Very low46.9Very low122 Ų122152 Ų15274%0.73978%0.775SS**  trans-127.7116.7157.2-1760000109.5F158F158-V160 HydrophobicContact CD1-CG2 4.15Å; F158-V160 HydrophobicContact CE1-CG2 4.03Å
161R43.9Very low46.9Very low243 Ų243147.8 Ų147.892%0.91777%0.768SS**  trans-66.9134.8-179.9-70.1169.9163.4178.5-5.7111.5
162R47.6Very low47.1Very low246 Ų246145.2 Ų145.293%0.92875%0.753SS**  trans-141.4146.1143.5-149.6166.6-75.5-167.3-1.9109.7
163R49.7Very low47.6Very low235 Ų235146.6 Ų146.689%0.88775%0.752SS**  trans-80.7126.6-154.3-70178177.9146.6-2.5114.4V165R163-V165 PolarHBondContact O-N 2.83Å
164L44.4Very low47.6Very low167 Ų167147.5 Ų147.587%0.87475%0.754SS**  trans4.1100130.4-171.679.8000116.5
165V51.4Low48Very low111 Ų111146 Ų14667%0.67375%0.745SS**  trans-139.8102.9145.8-1770000107.5R163 F169R163-V165 PolarHBondContact O-N 2.83Å; V165-F169 HydrophobicContact CG1-CB 3.63Å; V165-F169 HydrophobicContact CG1-CD1 4.15Å; V165-F169 HydrophobicContact CG1-CG 4.03Å
166G45.3Very low48Very low40 Ų40140.8 Ų140.841%0.41274%0.736SS.*  trans-73.7163.8179.800000113.1A168 F169G166-A168 PolarHBondContact O-N 3.11Å; G166-F169 PolarHBondContact O-N 3.44Å
167P59.5Low48.3Very low119 Ų119139.4 Ų139.477%0.77374%0.738SS**THydrogen-bonded Turntrans-53.5-27.7-177.2-29.136.3000115.5F169 R170P167-F169 PolarHBondContact O-N 2.65Å; P167-F169 VanDerWaalsContact O-N 3.14Å; P167-R170 PolarHBondContact O-N 2.83Å
168A54.2Low48.6Very low81 Ų81140.5 Ų140.567%0.66974%0.74SS**THydrogen-bonded Turntrans-52.9-32.9178.400000114G166 R170 A171G166-A168 PolarHBondContact O-N 3.11Å; A168-R170 PolarHBondContact O-N 3.39Å; A168-A171 WeakPolarHBondContact O-CB 3.17Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-A171 VanDerWaalsContact O-N 3.08Å
169F49.9Very low49Very low121 Ų121142.2 Ų142.253%0.53174%0.741SS.*Hα-helixtrans-66.8-22.8-179-161-105.6000113.3V165 G166 P167 A171 L173V165-F169 HydrophobicContact CG1-CB 3.63Å; V165-F169 HydrophobicContact CG1-CD1 4.15Å; V165-F169 HydrophobicContact CG1-CG 4.03Å; G166-F169 PolarHBondContact O-N 3.44Å; P167-F169 PolarHBondContact O-N 2.65Å; P167-F169 VanDerWaalsContact O-N 3.14Å; F169-A171 VanDerWaalsContact C-N 3.28Å; F169-A171 PolarHBondContact O-N 3.5Å; F169-L173 HydrophobicContact CD1-CD1 4.16Å; F169-L173 HydrophobicContact CE1-CD1 3.75Å; F169-L173 HydrophobicContact CE1-CG 4.21Å
170R52.7Low49Very low225 Ų225141.5 Ų141.585%0.84973%0.734SS**Hα-helixtrans-76.4-13.8175.4-58.2-173.3-163.1-105.71.6113.4P167 A168P167-R170 PolarHBondContact O-N 2.83Å; A168-R170 PolarHBondContact O-N 3.39Å
171A54.6Low49Very low72 Ų72142.7 Ų142.760%0.59573%0.733SS**Hα-helixtrans-82-41.9171.100000111.5A168 F169 L173 K174A168-A171 WeakPolarHBondContact O-CB 3.17Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-A171 VanDerWaalsContact O-N 3.08Å; F169-A171 VanDerWaalsContact C-N 3.28Å; F169-A171 PolarHBondContact O-N 3.5Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 2.79Å; A171-K174 PolarHBondContact O-N 3.04Å
172A51.3Low49.1Very low54 Ų54139 Ų13945%0.44673%0.727SS.*Hα-helixtrans-64.7-30.9-175.200000114.4K174 S175A172-K174 PolarHBondContact O-N 3.12Å; A172-S175 PolarHBondContact O-OG 3.28Å; A172-S175 VanDerWaalsContact O-OG 3.07Å
173L51.9Low48.9Very low129 Ų129132.7 Ų132.768%0.67572%0.72SS**THydrogen-bonded Turntrans-78.10.4179.5-73.8175.2000114.6F169 A171F169-L173 HydrophobicContact CD1-CD1 4.16Å; F169-L173 HydrophobicContact CE1-CD1 3.75Å; F169-L173 HydrophobicContact CE1-CG 4.21Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 2.79Å
174K51.3Low48.4Very low198 Ų198125.3 Ų125.386%0.86172%0.717SS**THydrogen-bonded Turntrans-95.89.6174.2-141.2178.8-175.7-176.30113.6A171 A172A171-K174 PolarHBondContact O-N 3.04Å; A172-K174 PolarHBondContact O-N 3.12Å
175S48.1Very low48.3Very low99 Ų99121.2 Ų121.269%0.69272%0.715SS**SBendtrans-142.841.8-170.154.50000113.5A172A172-S175 PolarHBondContact O-OG 3.28Å; A172-S175 VanDerWaalsContact O-OG 3.07Å
176A45Very low48Very low77 Ų77122.9 Ų122.964%0.63673%0.725SS**  trans-15343.8-178.600000115.4
177C46.3Very low47.8Very low130 Ų130126.8 Ų126.888%0.87874%0.743SS**  trans-119.3138.3163.9-73.60000110.1
178M47Very low46.7Very low179 Ų179125.8 Ų125.888%0.88274%0.739SS**  trans-88.2159.2-169.1-78.5-69.5119.100114.4
179R46.6Very low46Very low224 Ų224129.1 Ų129.185%0.84575%0.745SS**  trans-65.4177.5163-76.9-176172.2-158.2-1110.5
180P45.3Very low45.6Very low100 Ų100131.4 Ų131.465%0.64976%0.757SS**  cis-151.1178.923.946.8-27.1000120.1
181M43.8Very low44.7Very low146 Ų146128.4 Ų128.472%0.71976%0.758SS**  trans69.9150.8162.9-60.7-53.2104.400116.7
182Q45.2Very low44.1Very low167 Ų167131.3 Ų131.378%0.7877%0.768SS**  cis-142.2178.42.8-137.4156.649.400112.2
183S43.9Very low43.6Very low112 Ų112137.8 Ų137.878%0.78379%0.787SS**  trans-60.3159.2174.146.30000113.8
184G39.3Very low42.9Very low81 Ų81141.4 Ų141.484%0.83580%0.797SS**  cis161.8169.10.300000111.2
185G40.7Very low42.2Very low80 Ų80136.6 Ų136.683%0.82579%0.789SS**  trans165138179.100000111.5
186V45.6Very low42Very low147 Ų147140.2 Ų140.289%0.89180%0.799SS**  trans-105153.9-171.3-89.10000113.4
187P42.1Very low41.7Very low121 Ų121143.7 Ų143.779%0.78681%0.807SS**  trans-96.4173.6-175.640.1-37.2000112.9
188S36.5Very low41.5Very low99 Ų99141.3 Ų141.369%0.69281%0.805SS**  174.5147.8129.6-162.10000112.9
189L39.4Very low41.6Very low150 Ų150140.3 Ų140.379%0.78580%0.803SS**  trans61.4156.7157.9-102.364.8000117.4
190E41.2Very low41.2Very low170 Ų170138.5 Ų138.579%0.79480%0.804SS**  cis-129.51780-68.9-157.2109.400112.5
191N34.3Very low41.1Very low162 Ų162143 Ų14387%0.86681%0.813SS**  trans-75.2148.4171.2-62.1-72.3000112.3
192T41.2Very low40.8Very low132 Ų132140.9 Ų140.981%0.8181%0.812SS**  trans-144.6134155.1-6.90000111.1
193K40.2Very low40.8Very low191 Ų191141.9 Ų141.983%0.8382%0.815SS**  trans-83.9146.4171.4-65.3176.7179.8175.70109.4
194F37.8Very low40.4Very low205 Ų205143.5 Ų143.590%0.89981%0.814SS**  trans-127.5123.8151-92.5-86000109.6
195S35.9Very low40.4Very low97 Ų97147.4 Ų147.468%0.67882%0.816SS**  trans-102145.4167.7-65.70000108.9
196L44.8Very low40.1Very low175 Ų175149.3 Ų149.392%0.91682%0.817SS**  trans-127.9108.4159.9-89.6166.4000108
197N38.6Very low39.9Very low150 Ų150148.1 Ų148.180%0.80282%0.815SS**  trans-91.2152.2163.9-70.6-6.9000108.4
198G42.2Very low39.6Very low80 Ų80150.4 Ų150.483%0.82582%0.82SS**  trans-155.261.8-175.500000112
199D48.5Very low39.7Very low157 Ų157153.7 Ų153.784%0.8483%0.828SS**  trans4140.9172.1-59.9-22.4000122.3
200Q38.9Very low39.4Very low187 Ų187151.7 Ų151.787%0.87483%0.827SS**  trans-75.5150.6166.9-53.61692300111.4
201K43.9Very low39Very low194 Ų194150.4 Ų150.484%0.84383%0.831SS**  trans-155.8119150.6-114.4157.5-171.4168.30111.5
202S37Very low39.3Very low101 Ų101148.7 Ų148.771%0.70683%0.831SS**  trans-98.7144.6172.148.10000110.3
203F44.1Very low39Very low189 Ų189146 Ų14683%0.82983%0.83SS**  trans-144.6125.8159-77.9-70.5000109.3
204N36.1Very low38.9Very low145 Ų145143.1 Ų143.178%0.77583%0.832SS**  trans-84.8156.1168-60.8-19.7000109.1
205N38.9Very low38.8Very low164 Ų164141.5 Ų141.588%0.87783%0.827SS**  -176.1133.1118.9-90.8-15.5000111.2
206S35.3Very low38.8Very low119 Ų119141.9 Ų141.983%0.83283%0.825SS**  trans-85.8150.1167.1-49.40000110.2
207S40.3Very low38.6Very low123 Ų123142.3 Ų142.386%0.8682%0.822SS**  trans-150.4147157.8-87.10000109.8
208L36.7Very low38.5Very low169 Ų169141.4 Ų141.489%0.88582%0.817SS**  trans-96.3-158.4-175.6-64.7164.8000110.9
209I37.7Very low38.5Very low167 Ų167144.3 Ų144.386%0.85682%0.82SS**  trans92.5132.7175.3-53162.3000113.1
210S34.1Very low37.8Very low109 Ų109140 Ų14076%0.76281%0.811SS**  cis179.7159.2-37.8-98.30000107.4
211T32.3Very low37.8Very low143 Ų143137.1 Ų137.188%0.87781%0.812SS**  trans-74137.2-179.349.50000114.6
212S40.4Very low37.2Very low126 Ų126137.9 Ų137.988%0.88181%0.812SS**  trans-155.8153.1148.9620000109.7
213G35.6Very low37.2Very low75 Ų75145 Ų14577%0.77382%0.823SS**  trans-148.5156.3-172.900000114.5
214C38.3Very low36.9Very low130 Ų130144.5 Ų144.588%0.87882%0.82SS**  trans-172.6157.6175.954.20000108
215H34.7Very low36.9Very low171 Ų171145 Ų14579%0.79282%0.823SS**  cis-155.3161.2-20.9168.570.8000107.3
216V37.3Very low37Very low105 Ų105143.2 Ų143.264%0.63682%0.82SS**  trans-76.3151.5-172.9176.70000112.3
217Q40.6Very low37Very low184 Ų184143.3 Ų143.386%0.8682%0.816SS**  trans-148.4144.8142.2-132.1146.6104.900112.7
218D34.9Very low36.8Very low131 Ų131146 Ų14670%0.70181%0.814SS**  trans-92.5159.2-162-133.8-50.3000113.6
219T42.6Very low36.8Very low142 Ų142142.4 Ų142.487%0.87180%0.799SS**  173111.9126.527.20000111
220G33.1Very low36.6Very low65 Ų65141.7 Ų141.767%0.6780%0.797SS**  trans-94.4176177.400000115.1
221S39.7Very low36.8Very low128 Ų128140.4 Ų140.490%0.89580%0.801SS**  trans-157.5105.1159.5-85.40000111.9
222Y31Very low37Very low210 Ų210141.5 Ų141.582%0.82480%0.801SS**  trans-69.2140.9167.4-89.5-100000111.4
223R38.1Very low37.1Very low250 Ų250140.6 Ų140.694%0.94380%0.795SS**  trans-142.8142.2140.4-79.3-154.3172.4-148.1-3.2111.1
224K37.4Very low37.3Very low179 Ų179143 Ų14378%0.77880%0.796SS**  trans-104.4153.5173.9-62179178.3-179.20109.5
225N36.6Very low36.8Very low154 Ų154144.9 Ų144.982%0.82480%0.797SS**  trans10.4146.2140.7-67.13.7000118.5
226P40.3Very low37.1Very low128 Ų128146.1 Ų146.183%0.83180%0.8SS**  -151-174.358.343.1-22.5000119.1
227V36.2Very low37.1Very low121 Ų121146 Ų14673%0.73380%0.804SS**  trans-58.4153.2177.8176.40000114.1T229V227-T229 HydrophobicContact CG1-CG2 4.37Å
228H36.4Very low37Very low178 Ų178144.6 Ų144.682%0.82480%0.801SS**  trans-141.7159145-136-79.4000111.8
229T35.2Very low37.2Very low94 Ų94146.2 Ų146.258%0.57781%0.81SS**  trans-111-178.5-167.244.20000114.2V227V227-T229 HydrophobicContact CG1-CG2 4.37Å
230D34.7Very low36.8Very low152 Ų152148 Ų14881%0.81381%0.808SS**  trans92.7134.5153.9-49.3-55.2000119.8
231G37.2Very low37.1Very low82 Ų82153.1 Ų153.185%0.84582%0.82SS**  trans151.784.2177.900000114.2
232L37.7Very low37Very low166 Ų166152.6 Ų152.687%0.86982%0.816SS**  trans-98.2158.1-172.7-74.2168.3000115.2
233S40.9Very low37.2Very low108 Ų108150.4 Ų150.476%0.75582%0.817SS**  trans76.5159.2148.4-70.70000120.6
234P40Very low37.2Very low124 Ų124144.3 Ų144.381%0.80581%0.812SS**  cis-135.5174.4-25.433.4-13.7000115.7
235L29.4Very low37.1Very low171 Ų171143.5 Ų143.590%0.89582%0.815SS**  trans-75.4161.6-178.9-66.1165000115.8
236K40.2Very low37.3Very low197 Ų197143.6 Ų143.686%0.85782%0.815SS**  trans-145.6129.4153.5-76.5-162.7175.7-175.60113.9
237S36.4Very low37.2Very low103 Ų103146.5 Ų146.572%0.7282%0.818SS**  trans29.9103.615158.10000121.1
238I38.7Very low37.3Very low154 Ų154148.8 Ų148.879%0.7982%0.82SS**  27.6128.3106.7-60.1163.6000117.5
239D40.5Very low37.3Very low165 Ų165145.4 Ų145.488%0.88282%0.816SS**  -160.8115.9125.2-103.4-20.2000110.4
240E34.1Very low37.5Very low179 Ų179146.8 Ų146.884%0.83683%0.83SS**  trans-106.3127.1168.6-69.7-165.614300109.6
241N37.7Very low37.5Very low173 Ų173147.4 Ų147.493%0.92583%0.833SS**  trans179.393.2154.3-101.5-56.1000111.2
242S39.2Very low37.7Very low116 Ų116149.5 Ų149.581%0.81184%0.835SS**  trans-163.288.7158.4-165.40000112.1
243I35.2Very low38.1Very low164 Ų164146.3 Ų146.384%0.84183%0.826SS**  trans-130.6105.4161-59.7179.1000107.4
244C37.2Very low38Very low123 Ų123151.1 Ų151.183%0.83183%0.829SS**  trans-128.9127.7166.8-77.20000108.5
245L36.2Very low37.9Very low162 Ų162150.4 Ų150.485%0.84882%0.819SS**  trans-94118174.7-81.7158.3000109.5
246D40.1Very low38.4Very low156 Ų156153.6 Ų153.683%0.83482%0.819SS**  trans-94.8112.6165.5-85.4-45.8000110
247H38.3Very low38.9Very low189 Ų189149.6 Ų149.688%0.87581%0.811SS**  trans-89.7122.8168.1-100.7-49.7000110.1
248Q38.9Very low38.9Very low169 Ų169153.6 Ų153.679%0.7982%0.816SS**  trans-115.4105166.9-68.7-170.113.600111.6
249S35.4Very low39.3Very low106 Ų106153.2 Ų153.274%0.74182%0.816SS**  trans8129.5146.654.70000119.6
250S40.2Very low39.2Very low123 Ų123149.9 Ų149.986%0.8681%0.811SS**  trans-153.9117145.3-68.90000109.7
251D34.9Very low39.8Very low166 Ų166148.1 Ų148.189%0.88881%0.812SS**  trans-72.7147.5171.6-70.4-70000111.6
252S40.1Very low39.8Very low126 Ų126147 Ų14788%0.88181%0.806SS**  trans-152.6143.4158.8-170.40000110.3
253S47.1Very low40Very low98 Ų98146 Ų14669%0.68580%0.797SS**  trans-144131.1-168.4175.50000110.5
254Y37.6Very low40.3Very low209 Ų209146.4 Ų146.482%0.8280%0.795SS**  -171.5158.2116.5-123.8-103000114.3
255D37.9Very low40.5Very low109 Ų109147.8 Ų147.858%0.58380%0.8SS**  trans54124.1156.4-119.1-51.8000123.3T257D255-T257 PolarHBondContact OD1-N 3.48Å; D255-T257 PolarHBondContact OD1-OG1 3Å; D255-T257 VanDerWaalsContact OD1-OG1 3.05Å
256R40.5Very low40.4Very low238 Ų238144 Ų14490%0.89880%0.8SS**  trans-142.893.1142.8-82-165.8177.4-176.91109
257T50.6Low40.3Very low113 Ų113140.4 Ų140.469%0.69380%0.8SS**  trans-61.9133.7166.5-29.10000109.8D255D255-T257 PolarHBondContact OD1-N 3.48Å; D255-T257 PolarHBondContact OD1-OG1 3Å; D255-T257 VanDerWaalsContact OD1-OG1 3.05Å
258F37.6Very low40.2Very low187 Ų187138 Ų13882%0.8280%0.798SS**  trans-137.787-177.4-154.4-73.9000110.3A260F258-A260 PolarHBondContact O-N 3.09Å
259D45.3Very low40.6Very low147 Ų147136.4 Ų136.479%0.78680%0.8SS**  trans-71.9118179.4-76.5-49.3000111.6
260A39.7Very low40.7Very low95 Ų95140.4 Ų140.479%0.78580%0.804SS**  trans-96.4130.3171.600000110.5F258F258-A260 PolarHBondContact O-N 3.09Å
261V46.9Very low40.7Very low141 Ų141143.2 Ų143.286%0.85580%0.801SS**  trans-121.5118.3173.4-178.60000109.5
262N36.6Very low41.2Very low149 Ų149143.1 Ų143.180%0.79780%0.796SS**  trans-107175.9175.2-133.71.4000109
263P44.6Very low41.2Very low97 Ų97145.6 Ų145.663%0.6379%0.793SS**  -129.3-150.6-12439.5-18.6000113.3
264Q39.8Very low41.5Very low172 Ų172148.9 Ų148.980%0.80480%0.803SS**  trans97157.8166.4-51-169.523.900117.6
265T41.6Very low41.5Very low151 Ų151143.9 Ų143.993%0.92679%0.794SS**  trans65.8137.3-16875.60000114.4
266G35.3Very low42.2Very low82 Ų82146.9 Ų146.985%0.84581%0.809SS**  cis172.9162.1-9.300000111
267G37.7Very low42Very low81 Ų81142.1 Ų142.184%0.83580%0.801SS**  trans141.3130.6171.300000114.8
268V36.3Very low41.8Very low138 Ų138140.4 Ų140.484%0.83681%0.806SS**  trans-129.5137.5-178.7174.50000109.8
269T47.2Very low42.2Very low137 Ų137139 Ų13984%0.8480%0.802SS**  trans-143147.5155.443.20000110.9
270K37.7Very low42Very low190 Ų190139.7 Ų139.783%0.82681%0.805SS**  trans-121.4147.9168.8-77.4-176171.8-171.80108.6
271F39.3Very low42.2Very low181 Ų181139 Ų13979%0.79480%0.799SS**  trans-153.6120.3147.2-80.5-70.9000105.1
272E45.9Very low42Very low164 Ų164137.8 Ų137.877%0.76680%0.797SS**  57.79689.1-65-179.5162.800110.2
273E40.9Very low42.5Very low179 Ų179136.1 Ų136.184%0.83680%0.797SS**  77.4110.558-170.4169.5-16000113.2
274D51.9Low42.5Very low167 Ų167135 Ų13589%0.89380%0.803SS**  trans-160.8153.4156.4-135.3-26.7000110.9
275T38.6Very low42.6Very low103 Ų103136.7 Ų136.763%0.63281%0.808SS**  trans-131.3131.7-161.9-65.70000114.6
276I51.7Low42.9Very low172 Ų172134.4 Ų134.488%0.88280%0.796SS**  trans-139.2140.3163.6-57-177.1000111.2
277N36.3Very low43.2Very low138 Ų138136.5 Ų136.574%0.73879%0.793SS**  trans-82.1158.2-170.7-67.2-41.3000116
278G47.3Very low43.4Very low77 Ų77139.2 Ų139.279%0.79479%0.787SS**  trans-149.5133.6159.400000110.4
279H45.8Very low43.8Very low159 Ų159139.2 Ų139.274%0.73678%0.781SS**  trans-101.5167.1-167.2-77.9-101.7000114.8
280N41.8Very low43.5Very low160 Ų160141.5 Ų141.586%0.85678%0.78SS**  trans84.1139.8164.1-54.5-28.7000117.3
281A43.4Very low43.6Very low80 Ų80136.5 Ų136.566%0.66177%0.768SS**  cis-164.7149.2-17.200000111.7
282S43.3Very low43.5Very low117 Ų117135.2 Ų135.282%0.81877%0.77SS**  trans59.1160.316065.80000119.6
283S45.6Very low43.6Very low113 Ų113133.2 Ų133.279%0.7977%0.771SS**  cis-170.6125.3-43.6530000108.7
284G45.3Very low43.5Very low74 Ų74130.3 Ų130.376%0.76377%0.769SS**  trans-177.9111.5179.200000113.8
285F41.9Very low42.9Very low207 Ų207130 Ų13091%0.90877%0.767SS**  trans-62.5167.1-161.4-81.6-103000118.5
286P48.2Very low43Very low104 Ų104133.3 Ų133.368%0.67578%0.78SS**  trans-128.4-158.5-154.344.8-29000115.8
287T42.1Very low42.6Very low125 Ų125130 Ų13077%0.76777%0.77SS**  trans75.9150.817019.70000115.8
288I41.9Very low42.6Very low138 Ų138130.6 Ų130.671%0.70877%0.773SS**  cis-160152.436.6-137.6154.8000113.4
289L42.7Very low42.5Very low138 Ų138135.7 Ų135.772%0.72378%0.778SS**  trans62.9125.7162.1-60.4172.8000119.2
290K41.3Very low42.1Very low186 Ų186132.7 Ų132.781%0.80978%0.775SS**  70.5145.469.1-81.3-167.4-174.5173.30115
291S40Very low42.6Very low84 Ų84133.3 Ų133.359%0.58778%0.777SS**  cis171.3136.5-25.848.90000109.3
292N38.6Very low42.3Very low154 Ų154137.1 Ų137.182%0.82479%0.786SS**  trans139.1138.7146.8-73.5-2.8000115.6
293P46.6Very low42.3Very low122 Ų122135.7 Ų135.779%0.79278%0.782SS**  trans-120.8148.1163.338.4-27.3000114.6
294C39.9Very low42.5Very low119 Ų119139.5 Ų139.580%0.80478%0.784SS**  trans-146134.5158.8-79.40000106.6
295L39.1Very low42.5Very low161 Ų161142.1 Ų142.184%0.84379%0.786SS**  65108.555.7-66.6-179.3000114.6
296L41.1Very low42.7Very low172 Ų172140 Ų14090%0.90178%0.778SS**  -174.9165.4118.5-90.6175.5000109.6
297P42.2Very low42.4Very low103 Ų103141 Ų14167%0.66978%0.783SS**  trans-118.9166.5-152.443.5-36.2000117.8
298D36.1Very low42.1Very low149 Ų149138.8 Ų138.880%0.79779%0.785SS**  trans29.6131.5136.9-157.39.5000121.5
299M46.3Very low42.2Very low184 Ų184140.6 Ų140.691%0.90679%0.792SS**  trans-146.2125.2165.9-62.5-162.679.900110.8
300S37.4Very low42.2Very low96 Ų96141.9 Ų141.967%0.67179%0.794SS**  trans-118.7147.6174.2-176.30000111.5
301L51Low41.8Very low174 Ų174139.4 Ų139.491%0.91179%0.789SS**  trans-145.6124.3174.9-76.7177000111.8
302D37Very low41.9Very low159 Ų159147.2 Ų147.285%0.8581%0.806SS**  trans-101.9133.6179.2-72.1-65.1000113.9
303A44.8Very low41.7Very low87 Ų87145.6 Ų145.672%0.71980%0.802SS**  trans-164.5122.9154.300000109.3
304K48.2Very low41.3Very low193 Ų193147.8 Ų147.884%0.83981%0.805SS**  53124.179.6-62.3171.7-177.4168.60112.6
305T46.9Very low41Very low130 Ų130151 Ų15180%0.79881%0.805SS**  cis-159.2-172.80-0.90000107.3
306H44.4Very low40.9Very low163 Ų163149.4 Ų149.476%0.75581%0.807SS**  cis-154.9-174.421.8-163.1-98.3000111.2
307T42.9Very low40.9Very low125 Ų125145.1 Ų145.177%0.76780%0.797SS**  trans-100.3158.9173.253.70000113.8
308G35.7Very low40.5Very low78 Ų78147.2 Ų147.280%0.80480%0.802SS**  trans175.197.8172.800000116.8
309M43.3Very low40.5Very low175 Ų175145.2 Ų145.286%0.86280%0.8SS**  trans-50.1157173.2-57.1140.365.600113.8
310H43.5Very low40.3Very low166 Ų166142.4 Ų142.477%0.76980%0.799SS**  -179.815656.7-164.1-75.5000112.2
311D33Very low40.2Very low133 Ų133143.2 Ų143.271%0.71180%0.804SS**  trans-67.9151.6174.2-70.9-80000116.2
312R41.2Very low39.6Very low249 Ų249140.2 Ų140.294%0.9480%0.798SS**  -160133.8129.1-122.1172.9-177.9163.22115.1
313V34.3Very low39.4Very low120 Ų120140 Ų14073%0.72779%0.791SS**  trans-90.9134.4175.91740000111.4
314I38.7Very low39.1Very low167 Ų167143.8 Ų143.886%0.85680%0.799SS**  trans-138.4129.8152.2-63.7-173.9000109.1
315K33.7Very low38.4Very low187 Ų187142.2 Ų142.281%0.81379%0.792SS**  trans-90.5143.2168.1-65.4178.7177.8179.90110.2
316S38.3Very low37.9Very low127 Ų127146.8 Ų146.889%0.88880%0.796SS**  trans-163.2149.7145.7-87.20000111.5
317A39.4Very low37.3Very low82 Ų82145.5 Ų145.568%0.67880%0.795SS**  trans-90.6158.7-169.600000113.4
318N34.4Very low37.1Very low147 Ų147145.2 Ų145.279%0.78679%0.793SS**  179122.9105.1-88.9-30.5000114.6
319S36.4Very low37.4Very low108 Ų108145.9 Ų145.976%0.75579%0.791SS**  33.1106.9128-47.70000121.3
320S42.1Very low37Very low125 Ų125146.3 Ų146.387%0.87479%0.791SS**  175.2154.2126.9390000110.3
321S35.8Very low37.1Very low112 Ų112143.5 Ų143.578%0.78379%0.787SS**  cis158.688.2-27.3169.20000107.1
322S37.2Very low37.2Very low112 Ų112145 Ų14578%0.78380%0.795SS**  trans-174.2108.2164.635.40000107.6
323H33.1Very low37.1Very low154 Ų154142.7 Ų142.771%0.71379%0.793SS**  59.988.960.5-171.2-73.8000114
324L39Very low37.3Very low167 Ų167141.3 Ų141.387%0.87479%0.793SS**  trans-140.7135.2134.4-83.5-173.8000109.9
325F33.3Very low37.3Very low159 Ų159140.4 Ų140.470%0.69779%0.791SS**  trans-75.5147.9169.4-120.9-105.8000109.7D327F325-D327 HydrophobicContact CD1-CB 4.33Å; F325-D327 HydrophobicContact CE1-CB 4.37Å
326Y35.4Very low37.6Very low227 Ų227141.4 Ų141.489%0.8979%0.789SS**  trans-151.4125.9136.4-109.4-73.2000109.4
327D32.3Very low37.9Very low135 Ų135139.9 Ų139.972%0.72277%0.771SS**  trans-121.8133176.8-173.64.3000106.2F325F325-D327 HydrophobicContact CD1-CB 4.33Å; F325-D327 HydrophobicContact CE1-CB 4.37Å
328T38.9Very low38Very low120 Ų120145 Ų14574%0.73678%0.778SS**  trans-155.7129.1-175.4-530000110.7
329A41.6Very low38.5Very low91 Ų91146.4 Ų146.475%0.75278%0.784SS**  trans-87.7162.7-16700000115.3
330E34.8Very low38.5Very low185 Ų185148.9 Ų148.986%0.86479%0.789SS**  trans-55.1134.4167.7-67.8-90.211900113
331P47.1Very low38.4Very low106 Ų106150.9 Ų150.969%0.68879%0.789SS**  trans-101.9115.2163.833.9-25.8000111.6F333P331-F333 PolarHBondContact O-N 3.4Å
332N33.6Very low38.7Very low165 Ų165151.6 Ų151.688%0.88279%0.789SS**  trans-61.5135.1161-89.5-78.7000109.7
333F39.5Very low38.8Very low201 Ų201151.4 Ų151.488%0.88279%0.785SS**  trans-132.1120.4165.6-116.1-85.3000110.4P331P331-F333 PolarHBondContact O-N 3.4Å
334A39.1Very low39.1Very low90 Ų90155.9 Ų155.974%0.74480%0.796SS**  trans-99.3161.5176.300000111.2
335D39.3Very low39Very low149 Ų149154.7 Ų154.780%0.79780%0.796SS**  trans67.7118.6163-156.24.8000117.7
336R39.7Very low39.4Very low208 Ų208150.5 Ų150.579%0.78580%0.798SS**  -173.2137.6119.6-98.5-172.681153.89.1114.2
337D43.2Very low39.6Very low94 Ų94144.9 Ų144.950%0.50379%0.792SS.*  trans56.793.1147.4-66.7-36.4000121.7
338K41.3Very low40.4Very low190 Ų190146.4 Ų146.483%0.82680%0.798SS**  34.3112.3115.7-63.4174.1178.8170.90118.8
339L46.7Very low40.4Very low176 Ų176146.7 Ų146.792%0.92180%0.795SS**  trans-137.1123.2136.1-77.9-178.7000110.6
340N35.5Very low40.4Very low160 Ų160148.7 Ų148.786%0.85679%0.793SS**  trans-112.6123.7174.6-105.9-39000108.8
341L40.4Very low40.8Very low167 Ų167147.2 Ų147.287%0.87479%0.786SS**  trans-142.890.8171.3-76.2-179.8000112.4
342T41.4Very low40.5Very low128 Ų128147.9 Ų147.979%0.78579%0.788SS**  trans-100-177.2145.564.40000107.3
343P40Very low40.8Very low108 Ų108145.2 Ų145.270%0.70178%0.778SS**  cis-131.9-175-6.742.6-28000113.2
344R38.7Very low40.7Very low247 Ų247141.9 Ų141.993%0.93277%0.769SS**  trans-157.2154.6134.9-120.8177.2-177.7-139.7-3.7113.7
345T38.2Very low40.8Very low143 Ų143144.5 Ų144.588%0.87777%0.77SS**  trans-123.6161.5-170.748.40000112.3
346G41Very low41Very low71 Ų71144.7 Ų144.773%0.73277%0.77SS**  trans158.894.4178.300000108.4
347S38.4Very low41Very low109 Ų109140 Ų14076%0.76277%0.769SS**  70.49751.7-161.70000113
348I50.1Low40.6Very low167 Ų167141.6 Ų141.686%0.85679%0.787SS**  trans-156.3131.6154.1-110.7166.4000107
349D38Very low40.9Very low126 Ų126137.8 Ų137.867%0.67478%0.782SS**  trans-103.5176.5-174.2-59.4-72.8000112.5
350N41.4Very low40.2Very low133 Ų133132.9 Ų132.971%0.71178%0.775SS**  trans79.7142.4165.7-54-68.8000116.3
351Q43.8Very low40.6Very low154 Ų154137.2 Ų137.272%0.7278%0.779SS**  cis-161.5139.2-2.2-119.8164.345.400112.7
352V40.3Very low40.4Very low120 Ų120138.4 Ų138.473%0.72778%0.78SS**  trans75.9134.9132.3162.30000123.3
353T40.3Very low40Very low108 Ų108135.8 Ų135.866%0.66378%0.778SS**  trans62.7102.2162.846.40000122
354D38.1Very low39.7Very low131 Ų131138.7 Ų138.770%0.70179%0.787SS**  33.7117.8103.9-37.7-37.6000119.2
355N41.1Very low39.6Very low145 Ų145133 Ų13378%0.77578%0.78SS**  -179.8144.894-97.4-72.5000115.5
356I42.9Very low39.6Very low153 Ų153131.2 Ų131.279%0.78577%0.771SS**  trans-43.9131.5172.2-60.7147.3000114.8
357S39.7Very low39.3Very low109 Ų109133.5 Ų133.576%0.76278%0.775SS**  169.7131.4128.7-78.50000113.7
358S35.5Very low39.2Very low128 Ų128137.8 Ų137.890%0.89578%0.78SS**  trans-97.6134.7168.2-59.90000111.5
359P46.4Very low38.5Very low110 Ų110135 Ų13571%0.71478%0.776SS**  trans-120.2146.3153.95.217000112.4
360G33.8Very low38.3Very low74 Ų74134.4 Ų134.476%0.76378%0.781SS**  trans-78157.917900000114.4
361W42.7Very low38.3Very low251 Ų251135.2 Ų135.295%0.95179%0.791SS**  trans-95.596.3-178.3-74.986.3000112.8
362H37.1Very low38.2Very low191 Ų191137.6 Ų137.688%0.88479%0.794SS**  trans-74.2127.6152.8-70.8-74.7000108.8
363G31.6Very low38.1Very low73 Ų73140.6 Ų140.675%0.75380%0.8SS**  trans-79.6144.4-171.700000114.2
364L35.3Very low37.9Very low170 Ų170142.6 Ų142.689%0.8980%0.799SS**  trans-151.2154.9147.4-103.2175.2000109.2
365T36Very low38.1Very low128 Ų128147.5 Ų147.579%0.78581%0.808SS**  trans-78.9149.7-178.353.50000112.1
366P38.8Very low38.1Very low105 Ų105151.6 Ų151.668%0.68281%0.813SS**  -137.5152.5123.236.8-26.9000114
367S35Very low37.7Very low118 Ų118154.6 Ų154.683%0.82582%0.816SS**  trans-73.2127.7169.7-570000110.8
368F35.6Very low37.8Very low199 Ų199155.2 Ų155.287%0.87382%0.817SS**  trans-119.6150.9160.5-98.2-89.7000111.3
369S35.5Very low37.7Very low110 Ų110161 Ų16177%0.76982%0.819SS**  trans-123.1147.4-172.2-65.30000111.5
370S34.2Very low37.4Very low112 Ų112166 Ų16678%0.78382%0.824SS**  trans62.597161.3-178.20000118.1
371T41.6Very low37.5Very low150 Ų150173.7 Ų173.792%0.9283%0.832SS**  -142.2169.4111.914.60000110.5
372R41.3Very low37.3Very low204 Ų204167.8 Ų167.877%0.7782%0.819SS**  trans-130.9109.7-161166.6-170.2141-177.7-6.9110.4K374R372-K374 HydrophobicContact CG-CG 4.49Å
373E38Very low37.3Very low183 Ų183169.9 Ų169.986%0.85582%0.819SS**  trans-120.4138.3164.5-157.566-94.300109
374K36.8Very low37.9Very low150 Ų150174 Ų17465%0.65282%0.822SS**  trans-127.296.3-174.3-72.3-175.2179.2-1790112R372R372-K374 HydrophobicContact CG-CG 4.49Å
375R41.3Very low37.7Very low235 Ų235169.3 Ų169.389%0.88782%0.815SS**PPolyproline II helixtrans-91.8118.2159.7-69.6-171.5178.81791.2109.7
376R40.1Very low38.1Very low231 Ų231170.6 Ų170.687%0.87282%0.816SS**PPolyproline II helixtrans-93.8122.3174-71.8171.3165.4167-7.2108.5
377Y36Very low38.1Very low216 Ų216170 Ų17085%0.84782%0.82SS**PPolyproline II helixtrans-96.2129.8157.1-87.1-86.7000109.2R379Y377-R379 PolarHBondContact O-N 2.96Å
378P41.1Very low38.4Very low122 Ų122169.3 Ų169.379%0.79281%0.814SS**PPolyproline II helixtrans-71.7120176.9-15.930.6000111.3
379R33.7Very low38.6Very low248 Ų248166.9 Ų166.994%0.93681%0.81SS**  trans-87.8103.7157.1-87.5-168175.8-167.5-0.6109.1Y377Y377-R379 PolarHBondContact O-N 2.96Å
380R40.4Very low39.1Very low217 Ų217169 Ų16982%0.81981%0.812SS**  trans-149.6113.9152.8-82.4-164.3-179.5-174.1-0.1108.8
381Y36.3Very low39.4Very low234 Ų234169.7 Ų169.792%0.91881%0.812SS**  -145.2140.1116.5-117.5-83.3000108
382D37.9Very low39.5Very low128 Ų128169 Ų16968%0.68481%0.807SS**  trans-92.9124.1-173.1-84.8-77.8000111.1I384D382-I384 PolarHBondContact O-N 3.07Å
383R36.8Very low39.5Very low235 Ų235166.4 Ų166.489%0.88781%0.808SS**  48.368.5129.6-160.7-170.1-169.6-179.52.5116.8
384I43.4Very low39.9Very low159 Ų159165 Ų16582%0.81580%0.802SS**  trans-110.3122.9142.9-61.7-179.2000106.7D382D382-I384 PolarHBondContact O-N 3.07Å
385G32.4Very low40.2Very low72 Ų72167.4 Ų167.474%0.74281%0.813SS**  trans-99.6119.9-179.600000110.7
386L43.2Very low40.1Very low154 Ų154159.5 Ų159.581%0.80680%0.804SS**  trans-115.9107.4160.8-70.5173.8000107.1C388L386-C388 PolarHBondContact O-N 2.96Å
387A40Very low40.2Very low93 Ų93156.9 Ų156.977%0.76980%0.799SS**  trans-84.9101.1171.500000107.9D389A387-D389 VanDerWaalsContact C-N 3.26Å; A387-D389 PolarHBondContact O-N 3.31Å; A387-D389 VanDerWaalsContact O-N 3.09Å
388C41.4Very low40.8Very low104 Ų104153.7 Ų153.770%0.70380%0.796SS**  trans-84.169.9176.9-58.40000110.2L386 L390L386-C388 PolarHBondContact O-N 2.96Å; C388-L390 VanDerWaalsContact C-N 3.32Å; C388-L390 PolarHBondContact O-N 3.25Å
389D38.5Very low41.2Very low147 Ų147153.9 Ų153.979%0.78679%0.79SS**  trans-6892.8165-90.9-44.7000108.6A387 T391A387-D389 VanDerWaalsContact C-N 3.26Å; A387-D389 PolarHBondContact O-N 3.31Å; A387-D389 VanDerWaalsContact O-N 3.09Å; D389-T391 VanDerWaalsContact C-N 3.34Å; D389-T391 PolarHBondContact O-N 3.01Å; D389-T391 VanDerWaalsContact O-N 3.09Å
390L45.8Very low41.6Very low156 Ų156149.7 Ų149.782%0.81779%0.786SS**  trans-81.182.1174.4-71.6174.1000109.8C388 V392C388-L390 VanDerWaalsContact C-N 3.32Å; C388-L390 PolarHBondContact O-N 3.25Å; L390-V392 PolarHBondContact O-N 3.44Å; L390-V392 VanDerWaalsContact O-N 3.11Å
391T41.1Very low42Very low125 Ų125145.1 Ų145.177%0.76779%0.788SS**  trans-63.2106.3163.150.40000109.1D389 D393D389-T391 VanDerWaalsContact C-N 3.34Å; D389-T391 PolarHBondContact O-N 3.01Å; D389-T391 VanDerWaalsContact O-N 3.09Å; T391-D393 PolarHBondContact O-N 3.33Å
392V44Very low42.5Very low135 Ų135139.8 Ų139.882%0.81878%0.782SS**  trans-77.4102.7174.2178.10000108.7L390L390-V392 PolarHBondContact O-N 3.44Å; L390-V392 VanDerWaalsContact O-N 3.11Å
393D42.3Very low42.4Very low150 Ų150140.7 Ų140.780%0.80279%0.787SS**  trans-149.4138.5164.1-93.3-45.7000112.3T391T391-D393 PolarHBondContact O-N 3.33Å
394E44.7Very low42.6Very low153 Ų153135.3 Ų135.372%0.71579%0.785SS**  trans37.2105155-160.5162-164.800120.7
395F43.3Very low42.5Very low202 Ų202132.4 Ų132.489%0.88678%0.779SS**  -167.3158.2106.3-96.7-66.5000110.1
396G40.1Very low43Very low68 Ų68136 Ų13670%0.70179%0.786SS**  trans-157.3-165.9-175.200000114.2
397K42.6Very low42.6Very low176 Ų176136.3 Ų136.377%0.76579%0.788SS**  trans71.4151.7-163.5-87-177.5158.8-166.90114.4
398L48.2Very low42.9Very low150 Ų150136.9 Ų136.979%0.78579%0.793SS**  cis-94.5-1426.7-72.7165.8000114
399D49.2Very low42.7Very low126 Ų126138 Ų13867%0.67480%0.797SS**  trans-144.5160.2-150.6-47.880.7000111.4
400D42.1Very low43Very low159 Ų159138 Ų13885%0.8580%0.796SS**  trans-71.3157.8-166-49.1-103.2000119.1
401S49.1Very low42.8Very low122 Ų122138.6 Ų138.685%0.85380%0.795SS**  trans-171.5160.4133.9-850000114.8
402P46Very low42.6Very low121 Ų121142.2 Ų142.279%0.78680%0.803SS**  trans-129.2-179.3-157.943.6-28.9000117.4
403N37.3Very low42.7Very low148 Ų148139.8 Ų139.879%0.79180%0.804SS**  trans83.1120.2145.5-161.634.8000120.1
404S40.8Very low42.5Very low122 Ų122140.3 Ų140.385%0.85380%0.8SS**  trans-149.1147.4142.565.40000110.2
405S40.4Very low42.7Very low98 Ų98140.4 Ų140.469%0.68581%0.805SS**  trans-116.2150.3-171.353.10000112.3
406V43.8Very low42.9Very low147 Ų147135 Ų13589%0.89179%0.785SS**  trans-128.1102.2166.3-75.90000110.1
407N34.7Very low43.3Very low160 Ų160141.1 Ų141.186%0.85680%0.796SS**  trans-98.5126.3163.4-73.8-4.6000107.8
408A45.1Very low43.4Very low105 Ų105138.2 Ų138.287%0.86879%0.793SS**  trans-115.3131.5169.900000109.3
409T36.9Very low43.5Very low127 Ų127141 Ų14178%0.77980%0.795SS**  trans-93.3170.3-174-45.80000111.1
410L44.9Very low43.3Very low147 Ų147143 Ų14377%0.7780%0.8SS**  trans75.6142.2172.6-105.467.1000114.1
411E42.2Very low43.6Very low170 Ų170144 Ų14479%0.79480%0.797SS**  cis-130.3179.213.1-66.2-169.1135.200113.4
412H38Very low43.3Very low201 Ų201143.3 Ų143.393%0.93179%0.792SS**  trans-93.1140.2171.2-75.619.6000111.4
413G45.8Very low43.6Very low83 Ų83141 Ų14186%0.85679%0.791SS**  trans-132.4131.2165.100000109.8
414F37Very low43.9Very low162 Ų162141.2 Ų141.271%0.71179%0.792SS**  trans-119.8140.4-172.9161.1-78000109.7D416F414-D416 HydrophobicContact CD1-CB 4.44Å; F414-D416 HydrophobicContact CE1-CB 3.68Å; F414-D416 HydrophobicContact CE2-CB 4.06Å; F414-D416 HydrophobicContact CZ-CB 3.46Å; F414-D416 VanDerWaalsContact CZ-CB 3.46Å
415D49.3Very low44.1Very low155 Ų155141 Ų14183%0.82979%0.787SS**  trans-179.981.6160.9-88.4-29.4000105.2
416D48.6Very low44.4Very low87 Ų87143.1 Ų143.147%0.46578%0.784SS.*  43.1109.587.1-1641.4000115.1F414 T418F414-D416 HydrophobicContact CD1-CB 4.44Å; F414-D416 HydrophobicContact CE1-CB 3.68Å; F414-D416 HydrophobicContact CE2-CB 4.06Å; F414-D416 HydrophobicContact CZ-CB 3.46Å; F414-D416 VanDerWaalsContact CZ-CB 3.46Å; D416-T418 PolarHBondContact OD1-N 3.45Å; D416-T418 PolarHBondContact OD1-OG1 2.95Å
417Q47.4Very low44.4Very low197 Ų197142 Ų14292%0.92178%0.78SS**  trans-14881.8147.8-134.9156.3107.600110
418T44Very low45.1Very low116 Ų116141 Ų14171%0.71277%0.77SS**  trans-53.8134.217136.60000113.2D416D416-T418 PolarHBondContact OD1-N 3.45Å; D416-T418 PolarHBondContact OD1-OG1 2.95Å
419Y51.3Low44.9Very low208 Ų208143.5 Ų143.582%0.81677%0.769SS**  trans-140.5100.4159.7-172.6-98.6000109.9F421Y419-F421 HydrophobicContact CE1-CB 4.34Å
420E44.3Very low45.3Very low169 Ų169142 Ų14279%0.7976%0.764SS**  trans-82.3134174.8-63-170.4148.800111.1
421F49.5Very low45.2Very low179 Ų179141.3 Ų141.379%0.78577%0.766SS**  trans-140.1105.8155-167.9-100.2000110.2Y419Y419-F421 HydrophobicContact CE1-CB 4.34Å
422S43.1Very low45.6Very low107 Ų107139.6 Ų139.675%0.74876%0.762SS**  trans-74.9134.5-172.4-48.20000112.8
423G51.9Low46.5Very low73 Ų73134.5 Ų134.575%0.75375%0.747SS**  trans-158.137.1-175.500000115.8
424N43.6Very low47Very low152 Ų152136.5 Ų136.581%0.81375%0.745SS**  trans-74.3129.3171.6-167.523.3000109.2K426N424-K426 PolarHBondContact OD1-N 3.46Å; N424-K426 VanDerWaalsContact OD1-N 3.16Å
425P45.6Very low47.9Very low118 Ų118135.7 Ų135.777%0.76675%0.748SS**  -142.7139.989.636.5-21.2000115.3
426K45.7Very low48.3Very low142 Ų142135.8 Ų135.862%0.61775%0.748SS**  142.1127.2113.5-166.9173.5175.8-130.30112.7N424 E428N424-K426 PolarHBondContact OD1-N 3.46Å; N424-K426 VanDerWaalsContact OD1-N 3.16Å; K426-E428 VanDerWaalsContact CD-OE1 3.31Å; K426-E428 WeakPolarHBondContact CD-OE1 3.23Å; K426-E428 VanDerWaalsContact CE-OE1 3.29Å; K426-E428 WeakPolarHBondContact CE-OE1 3.32Å; K426-E428 HydrophobicContact CG-CG 4.42Å; K426-E428 IonicContact NZ-OE1 3.82Å; K426-E428 PolarHBondContact NZ-OE1 2.58Å; K426-E428 IonicContact NZ-OE2 2.6Å
427P42.9Very low48.7Very low123 Ų123136.9 Ų136.980%0.79975%0.754SS**  trans-92.9131.3175.734.8-31.2000112.3
428E50.3Low49.5Very low141 Ų141135.5 Ų135.566%0.65975%0.748SS**  trans-145.484.5174.7-57.3-178.1-140.900105K426K426-E428 VanDerWaalsContact CD-OE1 3.31Å; K426-E428 WeakPolarHBondContact CD-OE1 3.23Å; K426-E428 VanDerWaalsContact CE-OE1 3.29Å; K426-E428 WeakPolarHBondContact CE-OE1 3.32Å; K426-E428 HydrophobicContact CG-CG 4.42Å; K426-E428 IonicContact NZ-OE1 3.82Å; K426-E428 PolarHBondContact NZ-OE1 2.58Å; K426-E428 IonicContact NZ-OE2 2.6Å
429D41.6Very low50.6Low157 Ų157136.6 Ų136.684%0.8475%0.749SS**  58.979.489.7-163.624.4000114.5
430S44Very low51.8Low95 Ų95133.9 Ų133.966%0.66474%0.739SS**  trans-148.495.4159.958.80000108.3D432S430-D432 PolarHBondContact O-N 3.4Å
431T43.3Very low53.8Low133 Ų133130.4 Ų130.482%0.81672%0.721SS**  trans-9174.6179.3-54.50000110.1
432D49.7Very low55.7Low133 Ų133128.3 Ų128.371%0.71171%0.708SS**PPolyproline II helixtrans-98.4129.6170.1-63.5-61.1000109.2S430S430-D432 PolarHBondContact O-N 3.4Å
433P57.5Low58Low95 Ų95124.9 Ų124.962%0.61768%0.679SS**PPolyproline II helixtrans-67.7157.2169.832-34.4000109.7D435P433-D435 PolarHBondContact O-N 2.73Å; P433-D435 VanDerWaalsContact O-N 3.16Å
434P56.6Low60Low124 Ų124121.4 Ų121.481%0.80564%0.643SS**PPolyproline II helixtrans-62.4119.4164.828.1-32.3000108.4
435D55.6Low62.3Low145 Ų145118.2 Ų118.278%0.77563%0.625SS**PPolyproline II helixtrans-57.5137.3166.5-74.2-55.3000108.8P433 D437P433-D435 PolarHBondContact O-N 2.73Å; P433-D435 VanDerWaalsContact O-N 3.16Å; D435-D437 PolarHBondContact O-N 2.93Å
436D58Low64.5Low157 Ų157114.4 Ų114.484%0.8460%0.601SS**  trans-64.4109.3-179.5-83.5-63.6000110E438D436-E438 VanDerWaalsContact C-N 3.28Å; D436-E438 PolarHBondContact O-N 2.96Å
437D57.9Low66.6Low110 Ų110116.5 Ų116.559%0.58860%0.604SS**  trans-65.573.1-178.2-67.8-63.2000113.2D435 D439 Y440D435-D437 PolarHBondContact O-N 2.93Å; D437-D439 PolarHBondContact O-N 3.26Å; D437-Y440 HydrophobicContact CB-CD2 3.45Å; D437-Y440 VanDerWaalsContact CB-CD2 3.45Å; D437-Y440 HydrophobicContact CB-CE2 3.99Å; D437-Y440 HydrophobicContact CB-CG 4.29Å; D437-Y440 VanDerWaalsContact CG-CD2 3.47Å; D437-Y440 PolarHBondContact O-N 2.88Å; D437-Y440 WeakPolarHBondContact OD1-CE2 3.44Å
438E62.2Low68.8Low169 Ų169113.2 Ų113.279%0.7958%0.58SS**G310 helixtrans-56.8-34.4174.8-65.4-157.6141.500111.6D436 Y440 K441D436-E438 VanDerWaalsContact C-N 3.28Å; D436-E438 PolarHBondContact O-N 2.96Å; E438-Y440 VanDerWaalsContact C-N 3.28Å; E438-Y440 PolarHBondContact O-N 2.93Å; E438-K441 PolarHBondContact O-N 3.34Å
439D68.1Low70.8Confident138 Ų138108.5 Ų108.574%0.73856%0.561SS**G310 helixtrans-62.9-23.6-178.6-78-25000114.5D437 V449D437-D439 PolarHBondContact O-N 3.26Å; D439-V449 WeakPolarHBondContact O-CG1 3.48Å
440Y75.9Confident73.1Confident152 Ų152104.3 Ų104.360%0.59654%0.544SS*.G310 helixtrans-91.4-6.6178.8-62.3-43000114.3D437 E438 R442D437-Y440 HydrophobicContact CB-CD2 3.45Å; D437-Y440 VanDerWaalsContact CB-CD2 3.45Å; D437-Y440 HydrophobicContact CB-CE2 3.99Å; D437-Y440 HydrophobicContact CB-CG 4.29Å; D437-Y440 VanDerWaalsContact CG-CD2 3.47Å; D437-Y440 PolarHBondContact O-N 2.88Å; D437-Y440 WeakPolarHBondContact OD1-CE2 3.44Å; E438-Y440 VanDerWaalsContact C-N 3.28Å; E438-Y440 PolarHBondContact O-N 2.93Å; Y440-R442 WeakPolarHBondContact O-CG 3.25Å; Y440-R442 PolarHBondContact O-N 3.28Å; Y440-R442 VanDerWaalsContact O-N 3.13Å
441K85.9Confident75.3Confident95 Ų95102.8 Ų102.841%0.41352%0.524SS..  trans-65.3116.2-176.6-173.2169.5164.4-150.20111E438 Y443 E465E438-K441 PolarHBondContact O-N 3.34Å; K441-Y443 HydrophobicContact CB-CE2 4.12Å; K441-Y443 HydrophobicContact CD-CE1 4.02Å; K441-Y443 HydrophobicContact CD-CE2 4.41Å; K441-Y443 VanDerWaalsContact CD-OH 3.27Å; K441-Y443 WeakPolarHBondContact CD-OH 3.49Å; K441-Y443 VanDerWaalsContact CE-CE1 3.43Å; K441-Y443 WeakPolarHBondContact CE-OH 3.45Å; K441-Y443 HydrophobicContact CG-CE1 4.11Å; K441-Y443 HydrophobicContact CG-CE2 4.03Å; K441-Y443 PolarHBondContact NZ-OH 2.94Å; K441-Y443 VanDerWaalsContact NZ-OH 3.11Å; K441-Y443 WeakPolarHBondContact O-CD2 3.49Å; K441-Y443 WeakPolarHBondContact O-CE2 3.48Å; K441-E465 IonicContact NZ-OE2 3.81Å; K441-E465 PolarHBondContact NZ-OE2 3.45Å
442R90.1Very high77.5Confident136 Ų13699.9 Ų99.951%0.51352%0.521SS..  trans-87.8126.3-176-58.8-58.7175.3146.8-1.9111.8Y440 R447 D448Y440-R442 WeakPolarHBondContact O-CG 3.25Å; Y440-R442 PolarHBondContact O-N 3.28Å; Y440-R442 VanDerWaalsContact O-N 3.13Å; R442-R447 WeakPolarHBondContact CD-O 3.33Å; R442-D448 IonicContact NH1-OD1 2.69Å; R442-D448 PolarHBondContact NH1-OD1 3.35Å
443Y91.7Very high79.6Confident35 Ų3599 Ų9914%0.13752%0.516CS..BIsolated β-bridgetrans-117.4175.3-177.4-63.1-72.8000111.5K441 R447 D448 M454 F464 W466K441-Y443 HydrophobicContact CB-CE2 4.12Å; K441-Y443 HydrophobicContact CD-CE1 4.02Å; K441-Y443 HydrophobicContact CD-CE2 4.41Å; K441-Y443 VanDerWaalsContact CD-OH 3.27Å; K441-Y443 WeakPolarHBondContact CD-OH 3.49Å; K441-Y443 VanDerWaalsContact CE-CE1 3.43Å; K441-Y443 WeakPolarHBondContact CE-OH 3.45Å; K441-Y443 HydrophobicContact CG-CE1 4.11Å; K441-Y443 HydrophobicContact CG-CE2 4.03Å; K441-Y443 PolarHBondContact NZ-OH 2.94Å; K441-Y443 VanDerWaalsContact NZ-OH 3.11Å; K441-Y443 WeakPolarHBondContact O-CD2 3.49Å; K441-Y443 WeakPolarHBondContact O-CE2 3.48Å; Y443-R447 CarbonylContact O-C 3.52Å; Y443-R447 VanDerWaalsContact O-CA 3.3Å; Y443-R447 WeakPolarHBondContact O-CA 3.33Å; Y443-R447 PolarHBondContact O-N 3.12Å; Y443-D448 PolarHBondContact N-O 3.36Å; Y443-D448 PolarHBondContact O-N 3.4Å; Y443-M454 HydrophobicContact CG-CE 4.5Å; Y443-F464 WeakPolarHBondContact CD1-O 3.29Å; Y443-W466 HydrophobicContact CD1-CB 3.89Å; Y443-W466 AromaticContact CD1-CD1 3.87Å; Y443-W466 HydrophobicContact CD1-CG 4.26Å; Y443-W466 HydrophobicContact CE1-CB 4.42Å; Y443-W466 AromaticContact CE1-CD1 3.56Å; Y443-W466 HydrophobicContact CE1-CG 4.31Å; Y443-W466 HydrophobicContact CG-CB 4.15Å
444C93.8Very high81.3Confident0 Ų096.2 Ų96.20%050%0.496CS..THydrogen-bonded Turntrans60.9172.3174.1-161.30000116C446 R447 F464 W466 F467 H468 C471C444-C446 PolarHBondContact O-N 3.04Å; C444-R447 PolarHBondContact O-N 3.04Å; C444-R447 VanDerWaalsContact O-N 3.12Å; C444-F464 VanDerWaalsContact O-CD1 3.27Å; C444-F464 WeakPolarHBondContact O-CD1 3.31Å; C444-W466 WeakPolarHBondContact CA-O 3.49Å; C444-W466 PolarHBondContact N-O 3.22Å; C444-F467 HydrophobicContact CB-CB 4.44Å; C444-F467 HydrophobicContact CB-CD1 4.26Å; C444-F467 VanDerWaalsContact SG-CA 3.58Å; C444-H468 WeakPolarHBondContact CB-ND1 3.34Å; C444-C471 WeakPolarHBondContact SG-CB 3.32Å
445I91Very high83.2Confident84 Ų8491.3 Ų91.343%0.43146%0.462SS..THydrogen-bonded Turntrans-65-18.9174.362.6174.8000113.5R447 F467 C471I445-R447 VanDerWaalsContact C-N 3.34Å; I445-F467 HydrophobicContact CG2-CD1 4.24Å; I445-F467 HydrophobicContact CG2-CE1 3.84Å; I445-C471 WeakPolarHBondContact CD1-O 3.39Å; I445-C471 HydrophobicContact CG1-CB 4.42Å
446C92.7Very high85Confident39 Ų3986.3 Ų86.326%0.26444%0.441SS..THydrogen-bonded Turntrans-79.1-15.517457.70000113.4C444 H468C444-C446 PolarHBondContact O-N 3.04Å; C446-H468 PolarHBondContact SG-CE1 3.27Å; C446-H468 PolarHBondContact SG-ND1 3.23Å; C446-H468 VanDerWaalsContact SG-ND1 3.45Å
447R90.5Very high86.8Confident185 Ų18579.5 Ų79.570%0.69841%0.405SS*.THydrogen-bonded Turntrans57.547.9-173.3-50.7-177.8-173.9-177.51.2112.7R442 Y443 C444 I445 F464R442-R447 WeakPolarHBondContact CD-O 3.33Å; Y443-R447 CarbonylContact O-C 3.52Å; Y443-R447 VanDerWaalsContact O-CA 3.3Å; Y443-R447 WeakPolarHBondContact O-CA 3.33Å; Y443-R447 PolarHBondContact O-N 3.12Å; C444-R447 PolarHBondContact O-N 3.04Å; C444-R447 VanDerWaalsContact O-N 3.12Å; I445-R447 VanDerWaalsContact C-N 3.34Å; R447-F464 HydrophobicContact CG-CE1 4.44Å
448D89.1Confident88.5Confident55 Ų5577.4 Ų77.429%0.29439%0.394SS..BIsolated β-bridgetrans-119.8166.5-177.1-143.5-16.7000112.3R442 Y443 Y451R442-D448 IonicContact NH1-OD1 2.69Å; R442-D448 PolarHBondContact NH1-OD1 3.35Å; Y443-D448 PolarHBondContact N-O 3.36Å; Y443-D448 PolarHBondContact O-N 3.4Å; D448-Y451 HydrophobicContact CB-CE1 4.21Å
449V91.2Very high89.9Confident42 Ų4270.2 Ų70.226%0.25536%0.364SS..  trans-65.4165.1178.1-61.30000111.7D439 Y451 H468D439-V449 WeakPolarHBondContact O-CG1 3.48Å; V449-Y451 VanDerWaalsContact O-CD1 3.28Å; V449-Y451 WeakPolarHBondContact O-CD1 3.2Å; V449-Y451 PolarHBondContact O-N 3.25Å; V449-H468 PolarHBondContact O-CE1 3.32Å; V449-H468 PolarHBondContact O-NE2 3.33Å
450S90.9Very high90.8Very high69 Ų6969.5 Ų69.548%0.48337%0.367SS..  trans-68122.6175.6420000112.1M454S450-M454 WeakPolarHBondContact CA-SD 3.41Å; S450-M454 WeakPolarHBondContact CB-SD 3.43Å
451Y89.5Confident91.5Very high62 Ų6268.3 Ų68.324%0.24337%0.371CS..  trans-149.1145.6175.765.1-104.4000111.9I101 D448 V449 H468I101-Y451 HydrophobicContact CD1-CD2 4.16Å; I101-Y451 HydrophobicContact CD1-CE1 4.37Å; I101-Y451 HydrophobicContact CD1-CE2 3.96Å; I101-Y451 HydrophobicContact CD1-CG 4.47Å; D448-Y451 HydrophobicContact CB-CE1 4.21Å; V449-Y451 VanDerWaalsContact O-CD1 3.28Å; V449-Y451 WeakPolarHBondContact O-CD1 3.2Å; V449-Y451 PolarHBondContact O-N 3.25Å; Y451-H468 AromaticContact CD1-CD2 3.6Å; Y451-H468 AromaticContact CD1-NE2 3.31Å; Y451-H468 VanDerWaalsContact CD1-NE2 3.31Å; Y451-H468 WeakPolarHBondContact CD1-NE2 3.47Å; Y451-H468 AromaticContact CD2-CD2 3.69Å; Y451-H468 AromaticContact CE1-CD2 3.52Å; Y451-H468 AromaticContact CE1-CE1 3.92Å; Y451-H468 AromaticContact CE1-NE2 3.23Å; Y451-H468 WeakPolarHBondContact CE1-NE2 3.4Å; Y451-H468 AromaticContact CE2-CD2 3.6Å; Y451-H468 AromaticContact CG-CD2 3.68Å; Y451-H468 AromaticContact CG-NE2 3.84Å; Y451-H468 AromaticContact CZ-CD2 3.5Å; Y451-H468 AromaticContact CZ-NE2 3.71Å; Y451-H468 PolarHBondContact O-CD2 3.1Å
452G89.7Confident91.7Very high73 Ų7364.4 Ų64.475%0.75336%0.355SS*.SBendtrans57.3-154.5179.500000114.1M454G452-M454 PolarHBondContact O-N 3.1Å
453D93.4Very high91.7Very high114 Ų11462.7 Ų62.761%0.6136%0.362SS*.SBendtrans-68.1124.5177.4-75.6-46.9000112.1Y469D453-Y469 HydrophobicContact CB-CD1 3.69Å; D453-Y469 HydrophobicContact CB-CD2 3.74Å; D453-Y469 HydrophobicContact CB-CE1 3.91Å; D453-Y469 HydrophobicContact CB-CE2 3.98Å; D453-Y469 HydrophobicContact CB-CG 3.58Å; D453-Y469 VanDerWaalsContact O-CD1 3.28Å; D453-Y469 WeakPolarHBondContact O-CD1 3.2Å; D453-Y469 PolarHBondContact O-N 3.4Å
454M94.3Very high91.6Very high37 Ų3763.5 Ų63.518%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-126.3151.5177.6-60.2-167.883.400112.7Y443 S450 G452 W466 F467Y443-M454 HydrophobicContact CG-CE 4.5Å; S450-M454 WeakPolarHBondContact CA-SD 3.41Å; S450-M454 WeakPolarHBondContact CB-SD 3.43Å; G452-M454 PolarHBondContact O-N 3.1Å; M454-W466 HydrophobicContact CB-CE3 4.11Å; M454-W466 HydrophobicContact CE-CB 3.84Å; M454-F467 CarbonylContact C-O 3.59Å; M454-F467 VanDerWaalsContact CA-O 3.29Å; M454-F467 WeakPolarHBondContact CA-O 3.39Å
455I95.3Very high91.5Very high21 Ų2167.9 Ų67.911%0.10839%0.387CS..EExtended strand (participates in β ladder)trans-126.5132.8177-173.7162.9000111.2W466 F467 Y469 V472 L474 P478 W482I455-W466 CarbonylContact O-C 3.49Å; I455-W466 WeakPolarHBondContact O-CA 3.49Å; I455-F467 HydrophobicContact CG2-CB 4.18Å; I455-F467 WeakPolarHBondContact CG2-O 3.5Å; I455-F467 PolarHBondContact N-O 2.69Å; I455-F467 PolarHBondContact O-N 2.87Å; I455-Y469 HydrophobicContact CB-CD1 4.38Å; I455-Y469 HydrophobicContact CB-CE1 3.94Å; I455-Y469 HydrophobicContact CG2-CD1 4.4Å; I455-Y469 HydrophobicContact CG2-CE1 4.43Å; I455-V472 HydrophobicContact CG2-CG2 4.22Å; I455-L474 HydrophobicContact CD1-CD1 3.91Å; I455-L474 HydrophobicContact CG2-CD1 3.85Å; I455-P478 HydrophobicContact CD1-CG 3.48Å; I455-P478 VanDerWaalsContact CD1-CG 3.48Å; I455-W482 HydrophobicContact CB-CE3 4.46Å; I455-W482 HydrophobicContact CB-CZ3 4.49Å; I455-W482 HydrophobicContact CD1-CB 3.81Å; I455-W482 HydrophobicContact CD1-CD2 3.61Å; I455-W482 HydrophobicContact CD1-CE3 3.84Å; I455-W482 HydrophobicContact CD1-CG 3.6Å; I455-W482 HydrophobicContact CG1-CD2 4.06Å; I455-W482 HydrophobicContact CG1-CE3 3.72Å; I455-W482 HydrophobicContact CG1-CG 4.43Å; I455-W482 HydrophobicContact CG1-CZ3 4.22Å; I455-W482 HydrophobicContact CG2-CD2 4.34Å; I455-W482 HydrophobicContact CG2-CE3 3.97Å; I455-W482 HydrophobicContact CG2-CH2 3.73Å; I455-W482 HydrophobicContact CG2-CZ2 4.12Å; I455-W482 HydrophobicContact CG2-CZ3 3.65Å
456A94.7Very high91.7Very high40 Ų4069.2 Ų69.233%0.33139%0.386SS..EExtended strand (participates in β ladder)trans-79.8143.1171.400000111.1E465 W466A456-E465 WeakPolarHBondContact CA-O 3.28Å; A456-W466 HydrophobicContact CB-CD2 4.03Å; A456-W466 HydrophobicContact CB-CE3 3.95Å; A456-W466 HydrophobicContact CB-CH2 4.11Å; A456-W466 HydrophobicContact CB-CZ2 4.17Å; A456-W466 HydrophobicContact CB-CZ3 4Å
457C95.1Very high91.8Very high13 Ų1367.4 Ų67.49%0.08837%0.374CS..  trans-91.9120.6175.9173.60000111.2A459 C462 E465 F467 W482 C484C457-A459 PolarHBondContact O-N 2.97Å; C457-C462 HydrophobicContact CB-CB 4.28Å; C457-C462 VanDerWaalsContact SG-SG 3.64Å; C457-E465 PolarHBondContact N-O 3.2Å; C457-F467 HydrophobicContact CB-CD2 4.23Å; C457-F467 HydrophobicContact CB-CE2 3.69Å; C457-W482 HydrophobicContact CB-CE3 4.27Å; C457-W482 HydrophobicContact CB-CZ3 3.91Å; C457-C484 HydrophobicContact CB-CB 4.22Å; C457-C484 PolarHBondContact SG-N 3.08Å
458D94.4Very high92Very high66 Ų6658.7 Ų58.735%0.35334%0.341SS..  trans-70.119.1-176.8-65.9-55.4000115.2R481 W482 F483D458-R481 HydrophobicContact CB-CB 4.46Å; D458-R481 PolarHBondContact O-NH2 3.37Å; D458-R481 WeakPolarHBondContact OD2-CA 3.46Å; D458-R481 WeakPolarHBondContact OD2-CB 3.39Å; D458-R481 WeakPolarHBondContact OD2-CG 3.46Å; D458-R481 IonicContact OD2-NE 2.64Å; D458-W482 WeakPolarHBondContact CB-O 3.39Å; D458-W482 PolarHBondContact N-O 3.46Å; D458-W482 PolarHBondContact OD2-N 3.45Å; D458-F483 HydrophobicContact CB-CD1 4.22Å; D458-F483 HydrophobicContact CB-CE1 3.79Å; D458-F483 HydrophobicContact CB-CZ 4.25Å; D458-F483 WeakPolarHBondContact O-CE1 3.38Å
459A90.8Very high92.3Very high19 Ų1957.7 Ų57.716%0.15733%0.334CS..  trans-94.7125.8174.900000109.1C457 D461 C462 F483 C487C457-A459 PolarHBondContact O-N 2.97Å; A459-D461 PolarHBondContact O-N 3.22Å; A459-C462 HydrophobicContact CB-CB 4.32Å; A459-C462 WeakPolarHBondContact O-CB 3.46Å; A459-C462 PolarHBondContact O-N 3.13Å; A459-F483 HydrophobicContact CB-CD1 4.12Å; A459-F483 HydrophobicContact CB-CE1 4.48Å; A459-C487 HydrophobicContact CB-CB 3.81Å
460P87.2Confident92.3Very high123 Ų12359.6 Ų59.680%0.79935%0.354SS*.THydrogen-bonded Turntrans-62.9-28.2-176.326.5-35000112.7
461D89.8Confident92.4Very high126 Ų12657.5 Ų57.567%0.67434%0.338SS*.THydrogen-bonded Turntrans-102.539.1-177.7-31.8-58.8000111.4A459 P463A459-D461 PolarHBondContact O-N 3.22Å; D461-P463 WeakPolarHBondContact O-CD 3.33Å
462C90.8Very high92.6Very high13 Ų1355.5 Ų55.59%0.08833%0.333CS..  trans-89.4113.8-178.2-163.30000112C457 A459 F464 E465 C487C457-C462 HydrophobicContact CB-CB 4.28Å; C457-C462 VanDerWaalsContact SG-SG 3.64Å; A459-C462 HydrophobicContact CB-CB 4.32Å; A459-C462 WeakPolarHBondContact O-CB 3.46Å; A459-C462 PolarHBondContact O-N 3.13Å; C462-F464 PolarHBondContact O-N 3.25Å; C462-F464 VanDerWaalsContact O-N 3.1Å; C462-E465 PolarHBondContact O-N 3.26Å; C462-C487 VanDerWaalsContact SG-SG 3.66Å
463P89Confident92.7Very high100 Ų10059.3 Ų59.365%0.64934%0.336SS*.THydrogen-bonded Turntrans-73.4-5.1-172.431-37.8000115.1D461D461-P463 WeakPolarHBondContact O-CD 3.33Å
464F90.2Very high92.6Very high52 Ų5255.6 Ų55.623%0.22832%0.316CS..THydrogen-bonded Turntrans-118.7-11.6179.9-59.3-65.9000113.6Y443 C444 R447 C462 W466 F467Y443-F464 WeakPolarHBondContact CD1-O 3.29Å; C444-F464 VanDerWaalsContact O-CD1 3.27Å; C444-F464 WeakPolarHBondContact O-CD1 3.31Å; R447-F464 HydrophobicContact CG-CE1 4.44Å; C462-F464 PolarHBondContact O-N 3.25Å; C462-F464 VanDerWaalsContact O-N 3.1Å; F464-W466 PolarHBondContact O-N 2.9Å; F464-F467 HydrophobicContact CB-CE1 4.03Å; F464-F467 HydrophobicContact CB-CE2 4.23Å; F464-F467 HydrophobicContact CB-CZ 3.62Å; F464-F467 HydrophobicContact CD2-CE1 4.1Å; F464-F467 HydrophobicContact CD2-CZ 4.04Å; F464-F467 HydrophobicContact CG-CE1 4.4Å; F464-F467 HydrophobicContact CG-CZ 4.28Å
465E92.2Very high92.4Very high93 Ų9360.1 Ų60.144%0.43535%0.346SS..  trans54.2-67.7-175.7-57.7177.5148.500115.4K441 A456 C457 C462K441-E465 IonicContact NZ-OE2 3.81Å; K441-E465 PolarHBondContact NZ-OE2 3.45Å; A456-E465 WeakPolarHBondContact CA-O 3.28Å; C457-E465 PolarHBondContact N-O 3.2Å; C462-E465 PolarHBondContact O-N 3.26Å
466W94.7Very high92.2Very high112 Ų11264.2 Ų64.242%0.42437%0.371SS..EExtended strand (participates in β ladder)trans-108.1151.7-173.8-64.387.2000113.1Y443 C444 M454 I455 A456 F464Y443-W466 HydrophobicContact CD1-CB 3.89Å; Y443-W466 AromaticContact CD1-CD1 3.87Å; Y443-W466 HydrophobicContact CD1-CG 4.26Å; Y443-W466 HydrophobicContact CE1-CB 4.42Å; Y443-W466 AromaticContact CE1-CD1 3.56Å; Y443-W466 HydrophobicContact CE1-CG 4.31Å; Y443-W466 HydrophobicContact CG-CB 4.15Å; C444-W466 WeakPolarHBondContact CA-O 3.49Å; C444-W466 PolarHBondContact N-O 3.22Å; M454-W466 HydrophobicContact CB-CE3 4.11Å; M454-W466 HydrophobicContact CE-CB 3.84Å; I455-W466 CarbonylContact O-C 3.49Å; I455-W466 WeakPolarHBondContact O-CA 3.49Å; A456-W466 HydrophobicContact CB-CD2 4.03Å; A456-W466 HydrophobicContact CB-CE3 3.95Å; A456-W466 HydrophobicContact CB-CH2 4.11Å; A456-W466 HydrophobicContact CB-CZ2 4.17Å; A456-W466 HydrophobicContact CB-CZ3 4Å; F464-W466 PolarHBondContact O-N 2.9Å
467F95.6Very high92Very high0 Ų065 Ų650%038%0.378CS..EExtended strand (participates in β ladder)trans-140.9130.5-177.8-60.5-100.3000111.6C444 I445 M454 I455 C457 F464 V472 W482 C484C444-F467 HydrophobicContact CB-CB 4.44Å; C444-F467 HydrophobicContact CB-CD1 4.26Å; C444-F467 VanDerWaalsContact SG-CA 3.58Å; I445-F467 HydrophobicContact CG2-CD1 4.24Å; I445-F467 HydrophobicContact CG2-CE1 3.84Å; M454-F467 CarbonylContact C-O 3.59Å; M454-F467 VanDerWaalsContact CA-O 3.29Å; M454-F467 WeakPolarHBondContact CA-O 3.39Å; I455-F467 HydrophobicContact CG2-CB 4.18Å; I455-F467 WeakPolarHBondContact CG2-O 3.5Å; I455-F467 PolarHBondContact N-O 2.69Å; I455-F467 PolarHBondContact O-N 2.87Å; C457-F467 HydrophobicContact CB-CD2 4.23Å; C457-F467 HydrophobicContact CB-CE2 3.69Å; F464-F467 HydrophobicContact CB-CE1 4.03Å; F464-F467 HydrophobicContact CB-CE2 4.23Å; F464-F467 HydrophobicContact CB-CZ 3.62Å; F464-F467 HydrophobicContact CD2-CE1 4.1Å; F464-F467 HydrophobicContact CD2-CZ 4.04Å; F464-F467 HydrophobicContact CG-CE1 4.4Å; F464-F467 HydrophobicContact CG-CZ 4.28Å; F467-V472 HydrophobicContact CB-CG1 3.87Å; F467-V472 HydrophobicContact CB-CG2 4.38Å; F467-V472 HydrophobicContact CD1-CG1 3.98Å; F467-V472 HydrophobicContact CG-CG1 4.18Å; F467-W482 HydrophobicContact CB-CH2 4.03Å; F467-W482 HydrophobicContact CB-CZ3 4.48Å; F467-W482 AromaticContact CD2-CH2 3.86Å; F467-W482 HydrophobicContact CD2-CH2 3.86Å; F467-W482 AromaticContact CD2-CZ3 3.75Å; F467-W482 HydrophobicContact CD2-CZ3 3.75Å; F467-W482 HydrophobicContact CE2-CZ3 4.38Å; F467-W482 AromaticContact CG-CH2 3.91Å; F467-W482 HydrophobicContact CG-CH2 3.91Å; F467-W482 HydrophobicContact CG-CZ3 4.27Å; F467-C484 HydrophobicContact CD1-CB 4.11Å; F467-C484 HydrophobicContact CD2-CB 3.99Å; F467-C484 HydrophobicContact CE1-CB 3.6Å; F467-C484 HydrophobicContact CE2-CB 3.49Å; F467-C484 VanDerWaalsContact CE2-CB 3.49Å; F467-C484 HydrophobicContact CG-CB 4.31Å; F467-C484 HydrophobicContact CZ-CB 3.27Å; F467-C484 WeakPolarHBondContact CZ-SG 3.37Å
468H94.6Very high91.8Very high3 Ų366.8 Ų66.81%0.01439%0.389CS..EExtended strand (participates in β ladder)trans-64.2136.3172.1-43.281.7000110.7C444 C446 V449 Y451 A470 C471 V472C444-H468 WeakPolarHBondContact CB-ND1 3.34Å; C446-H468 PolarHBondContact SG-CE1 3.27Å; C446-H468 PolarHBondContact SG-ND1 3.23Å; C446-H468 VanDerWaalsContact SG-ND1 3.45Å; V449-H468 PolarHBondContact O-CE1 3.32Å; V449-H468 PolarHBondContact O-NE2 3.33Å; Y451-H468 AromaticContact CD1-CD2 3.6Å; Y451-H468 AromaticContact CD1-NE2 3.31Å; Y451-H468 VanDerWaalsContact CD1-NE2 3.31Å; Y451-H468 WeakPolarHBondContact CD1-NE2 3.47Å; Y451-H468 AromaticContact CD2-CD2 3.69Å; Y451-H468 AromaticContact CE1-CD2 3.52Å; Y451-H468 AromaticContact CE1-CE1 3.92Å; Y451-H468 AromaticContact CE1-NE2 3.23Å; Y451-H468 WeakPolarHBondContact CE1-NE2 3.4Å; Y451-H468 AromaticContact CE2-CD2 3.6Å; Y451-H468 AromaticContact CG-CD2 3.68Å; Y451-H468 AromaticContact CG-NE2 3.84Å; Y451-H468 AromaticContact CZ-CD2 3.5Å; Y451-H468 AromaticContact CZ-NE2 3.71Å; Y451-H468 PolarHBondContact O-CD2 3.1Å; H468-A470 VanDerWaalsContact C-N 3.31Å; H468-A470 PolarHBondContact O-N 2.85Å; H468-C471 HydrophobicContact CB-CB 4.21Å; H468-C471 WeakPolarHBondContact O-CB 3.49Å; H468-C471 PolarHBondContact O-N 3.31Å; H468-V472 PolarHBondContact O-N 3.4Å
469Y94.7Very high91.5Very high34 Ų3473.8 Ų73.813%0.13342%0.417CS..G310 helixtrans-52.2-47.6-178-89.739.2000112.5D453 I455 C471 V472 N473 L474 A477D453-Y469 HydrophobicContact CB-CD1 3.69Å; D453-Y469 HydrophobicContact CB-CD2 3.74Å; D453-Y469 HydrophobicContact CB-CE1 3.91Å; D453-Y469 HydrophobicContact CB-CE2 3.98Å; D453-Y469 HydrophobicContact CB-CG 3.58Å; D453-Y469 VanDerWaalsContact O-CD1 3.28Å; D453-Y469 WeakPolarHBondContact O-CD1 3.2Å; D453-Y469 PolarHBondContact O-N 3.4Å; I455-Y469 HydrophobicContact CB-CD1 4.38Å; I455-Y469 HydrophobicContact CB-CE1 3.94Å; I455-Y469 HydrophobicContact CG2-CD1 4.4Å; I455-Y469 HydrophobicContact CG2-CE1 4.43Å; Y469-C471 VanDerWaalsContact C-N 3.26Å; Y469-C471 PolarHBondContact O-N 2.86Å; Y469-V472 CarbonylContact O-C 3.53Å; Y469-V472 PolarHBondContact O-N 3.07Å; Y469-V472 VanDerWaalsContact O-N 3.12Å; Y469-N473 PolarHBondContact O-N 2.9Å; Y469-L474 CarbonylContact C-O 3.59Å; Y469-L474 WeakPolarHBondContact CB-O 3.27Å; Y469-L474 HydrophobicContact CD2-CB 4.01Å; Y469-L474 HydrophobicContact CG-CB 3.99Å; Y469-L474 PolarHBondContact O-N 3.43Å; Y469-A477 WeakPolarHBondContact OH-CA 3.48Å; Y469-A477 WeakPolarHBondContact OH-CB 3.46Å; Y469-A477 PolarHBondContact OH-N 2.86Å
470A91.5Very high91.5Very high82 Ų8276.2 Ų76.268%0.67844%0.443SS*.G310 helixtrans-61.2-30.1177.600000113.7H468 V472H468-A470 VanDerWaalsContact C-N 3.31Å; H468-A470 PolarHBondContact O-N 2.85Å; A470-V472 VanDerWaalsContact C-N 3.35Å
471C92.8Very high91.7Very high24 Ų2478.7 Ų78.716%0.16244%0.437CS..G310 helixtrans-80.9-13.8178.9-74.70000113.5C444 I445 H468 Y469C444-C471 WeakPolarHBondContact SG-CB 3.32Å; I445-C471 WeakPolarHBondContact CD1-O 3.39Å; I445-C471 HydrophobicContact CG1-CB 4.42Å; H468-C471 HydrophobicContact CB-CB 4.21Å; H468-C471 WeakPolarHBondContact O-CB 3.49Å; H468-C471 PolarHBondContact O-N 3.31Å; Y469-C471 VanDerWaalsContact C-N 3.26Å; Y469-C471 PolarHBondContact O-N 2.86Å
472V93.3Very high91.9Very high20 Ų2074.4 Ų74.412%0.12141%0.411CS..THydrogen-bonded Turntrans-118.514.6174.8-65.60000113.4I455 F467 H468 Y469 A470 L474 W482I455-V472 HydrophobicContact CG2-CG2 4.22Å; F467-V472 HydrophobicContact CB-CG1 3.87Å; F467-V472 HydrophobicContact CB-CG2 4.38Å; F467-V472 HydrophobicContact CD1-CG1 3.98Å; F467-V472 HydrophobicContact CG-CG1 4.18Å; H468-V472 PolarHBondContact O-N 3.4Å; Y469-V472 CarbonylContact O-C 3.53Å; Y469-V472 PolarHBondContact O-N 3.07Å; Y469-V472 VanDerWaalsContact O-N 3.12Å; A470-V472 VanDerWaalsContact C-N 3.35Å; V472-L474 VanDerWaalsContact C-N 3.27Å; V472-L474 HydrophobicContact CG2-CB 4.39Å; V472-L474 HydrophobicContact CG2-CD1 3.75Å; V472-L474 HydrophobicContact CG2-CG 3.9Å; V472-L474 PolarHBondContact O-N 3.02Å; V472-W482 HydrophobicContact CB-CH2 4.39Å; V472-W482 HydrophobicContact CB-CZ2 3.98Å; V472-W482 HydrophobicContact CG1-CH2 4.05Å; V472-W482 HydrophobicContact CG1-CZ2 4.08Å; V472-W482 HydrophobicContact CG2-CH2 4.2Å; V472-W482 HydrophobicContact CG2-CZ2 3.88Å
473N91.7Very high92.1Very high153 Ų15376.5 Ų76.582%0.81842%0.419SS*.THydrogen-bonded Turntrans55.435.9-179.5-56.2-50.7000114Y469Y469-N473 PolarHBondContact O-N 2.9Å
474L91.7Very high92.3Very high36 Ų3671.8 Ų71.819%0.18839%0.388CS..  trans-94.5147.7169.1-66.7174.5000110.2I455 Y469 V472 P478 W482I455-L474 HydrophobicContact CD1-CD1 3.91Å; I455-L474 HydrophobicContact CG2-CD1 3.85Å; Y469-L474 CarbonylContact C-O 3.59Å; Y469-L474 WeakPolarHBondContact CB-O 3.27Å; Y469-L474 HydrophobicContact CD2-CB 4.01Å; Y469-L474 HydrophobicContact CG-CB 3.99Å; Y469-L474 PolarHBondContact O-N 3.43Å; V472-L474 VanDerWaalsContact C-N 3.27Å; V472-L474 HydrophobicContact CG2-CB 4.39Å; V472-L474 HydrophobicContact CG2-CD1 3.75Å; V472-L474 HydrophobicContact CG2-CG 3.9Å; V472-L474 PolarHBondContact O-N 3.02Å; L474-P478 HydrophobicContact CD1-CG 4.37Å; L474-W482 HydrophobicContact CD1-CZ2 4.35Å
475T89.7Confident92.3Very high132 Ų13272.3 Ų72.381%0.8140%0.397SS*.SBendtrans-126-10.5171.854.70000112.9
476V91.4Very high92.2Very high107 Ų10771.2 Ų71.265%0.64840%0.397SS*.SBendtrans-149.7145179.5-178.10000107.7P478V476-P478 WeakPolarHBondContact O-CD 3.47Å
477A91.2Very high92.1Very high57 Ų5766.5 Ų66.547%0.47138%0.38SS..PPolyproline II helixtrans-53.2120.3174.400000111.9Y469Y469-A477 WeakPolarHBondContact OH-CA 3.48Å; Y469-A477 WeakPolarHBondContact OH-CB 3.46Å; Y469-A477 PolarHBondContact OH-N 2.86Å
478P90.9Very high91.9Very high50 Ų5068.2 Ų68.233%0.32540%0.395SS..PPolyproline II helixtrans-68145.9174.129.2-33.5000110.5I455 L474 V476 W482I455-P478 HydrophobicContact CD1-CG 3.48Å; I455-P478 VanDerWaalsContact CD1-CG 3.48Å; L474-P478 HydrophobicContact CD1-CG 4.37Å; V476-P478 WeakPolarHBondContact O-CD 3.47Å; P478-W482 HydrophobicContact CG-CB 4.01Å; P478-W482 HydrophobicContact CG-CG 3.96Å
479K88.7Confident91.5Very high214 Ų21475.3 Ų75.393%0.9343%0.426SS*.SBendtrans-88.6126.9-178.4-65.5-175.4179.4-178.10111.4
480G90.9Very high91Very high69 Ų6976.6 Ų76.671%0.71144%0.44SS*.SBendtrans90.4-158.1-177.100000111.8
481R91Very high90.5Very high175 Ų17575.4 Ų75.466%0.6642%0.422SS*.  trans-75.4135.9-175-71.1-174.869.1176.34.5112.8D458 F483D458-R481 HydrophobicContact CB-CB 4.46Å; D458-R481 PolarHBondContact O-NH2 3.37Å; D458-R481 WeakPolarHBondContact OD2-CA 3.46Å; D458-R481 WeakPolarHBondContact OD2-CB 3.39Å; D458-R481 WeakPolarHBondContact OD2-CG 3.46Å; D458-R481 IonicContact OD2-NE 2.64Å; R481-F483 HydrophobicContact CB-CE2 4.3Å; R481-F483 HydrophobicContact CB-CZ 4.43Å
482W94.2Very high89.8Confident36 Ų3678.7 Ų78.714%0.13644%0.437CS..  trans-121.3147.3178.3-177.286.3000112I455 C457 D458 F467 V472 L474 P478 C484I455-W482 HydrophobicContact CB-CE3 4.46Å; I455-W482 HydrophobicContact CB-CZ3 4.49Å; I455-W482 HydrophobicContact CD1-CB 3.81Å; I455-W482 HydrophobicContact CD1-CD2 3.61Å; I455-W482 HydrophobicContact CD1-CE3 3.84Å; I455-W482 HydrophobicContact CD1-CG 3.6Å; I455-W482 HydrophobicContact CG1-CD2 4.06Å; I455-W482 HydrophobicContact CG1-CE3 3.72Å; I455-W482 HydrophobicContact CG1-CG 4.43Å; I455-W482 HydrophobicContact CG1-CZ3 4.22Å; I455-W482 HydrophobicContact CG2-CD2 4.34Å; I455-W482 HydrophobicContact CG2-CE3 3.97Å; I455-W482 HydrophobicContact CG2-CH2 3.73Å; I455-W482 HydrophobicContact CG2-CZ2 4.12Å; I455-W482 HydrophobicContact CG2-CZ3 3.65Å; C457-W482 HydrophobicContact CB-CE3 4.27Å; C457-W482 HydrophobicContact CB-CZ3 3.91Å; D458-W482 WeakPolarHBondContact CB-O 3.39Å; D458-W482 PolarHBondContact N-O 3.46Å; D458-W482 PolarHBondContact OD2-N 3.45Å; F467-W482 HydrophobicContact CB-CH2 4.03Å; F467-W482 HydrophobicContact CB-CZ3 4.48Å; F467-W482 AromaticContact CD2-CH2 3.86Å; F467-W482 HydrophobicContact CD2-CH2 3.86Å; F467-W482 AromaticContact CD2-CZ3 3.75Å; F467-W482 HydrophobicContact CD2-CZ3 3.75Å; F467-W482 HydrophobicContact CE2-CZ3 4.38Å; F467-W482 AromaticContact CG-CH2 3.91Å; F467-W482 HydrophobicContact CG-CH2 3.91Å; F467-W482 HydrophobicContact CG-CZ3 4.27Å; V472-W482 HydrophobicContact CB-CH2 4.39Å; V472-W482 HydrophobicContact CB-CZ2 3.98Å; V472-W482 HydrophobicContact CG1-CH2 4.05Å; V472-W482 HydrophobicContact CG1-CZ2 4.08Å; V472-W482 HydrophobicContact CG2-CH2 4.2Å; V472-W482 HydrophobicContact CG2-CZ2 3.88Å; L474-W482 HydrophobicContact CD1-CZ2 4.35Å; P478-W482 HydrophobicContact CG-CB 4.01Å; P478-W482 HydrophobicContact CG-CG 3.96Å; W482-C484 HydrophobicContact CH2-CB 3.7Å; W482-C484 HydrophobicContact CZ2-CB 4.46Å; W482-C484 HydrophobicContact CZ3-CB 4Å
483F93.7Very high88.9Confident57 Ų5782.9 Ų82.925%0.2546%0.459CS..  trans-136.2134.9179.5-56.8-79.5000109.6D458 A459 R481 C487 A488 L491D458-F483 HydrophobicContact CB-CD1 4.22Å; D458-F483 HydrophobicContact CB-CE1 3.79Å; D458-F483 HydrophobicContact CB-CZ 4.25Å; D458-F483 WeakPolarHBondContact O-CE1 3.38Å; A459-F483 HydrophobicContact CB-CD1 4.12Å; A459-F483 HydrophobicContact CB-CE1 4.48Å; R481-F483 HydrophobicContact CB-CE2 4.3Å; R481-F483 HydrophobicContact CB-CZ 4.43Å; F483-C487 HydrophobicContact CB-CB 4.37Å; F483-A488 HydrophobicContact CB-CB 4.39Å; F483-L491 HydrophobicContact CB-CD1 4.16Å; F483-L491 HydrophobicContact CD1-CD1 3.51Å; F483-L491 HydrophobicContact CD2-CD1 3.7Å; F483-L491 HydrophobicContact CE1-CD1 3.66Å; F483-L491 HydrophobicContact CE2-CD1 3.87Å; F483-L491 HydrophobicContact CG-CD1 3.5Å; F483-L491 HydrophobicContact CZ-CD1 3.84Å
484C93.3Very high87.7Confident1 Ų182 Ų821%0.00745%0.448CS..  trans-63.8160.9177.776.40000111.9C457 F467 W482 T486 C487 A488C457-C484 HydrophobicContact CB-CB 4.22Å; C457-C484 PolarHBondContact SG-N 3.08Å; F467-C484 HydrophobicContact CD1-CB 4.11Å; F467-C484 HydrophobicContact CD2-CB 3.99Å; F467-C484 HydrophobicContact CE1-CB 3.6Å; F467-C484 HydrophobicContact CE2-CB 3.49Å; F467-C484 VanDerWaalsContact CE2-CB 3.49Å; F467-C484 HydrophobicContact CG-CB 4.31Å; F467-C484 HydrophobicContact CZ-CB 3.27Å; F467-C484 WeakPolarHBondContact CZ-SG 3.37Å; W482-C484 HydrophobicContact CH2-CB 3.7Å; W482-C484 HydrophobicContact CZ2-CB 4.46Å; W482-C484 HydrophobicContact CZ3-CB 4Å; C484-T486 PolarHBondContact O-N 3.18Å; C484-C487 PolarHBondContact O-N 3.26Å; C484-A488 WeakPolarHBondContact O-CB 3.38Å; C484-A488 PolarHBondContact O-N 3.39Å
485P90.1Very high86.3Confident63 Ų6386.6 Ų86.641%0.40947%0.467SS..Hα-helixtrans-53.8-31.9-176.3-28.936.3000114.6K489P485-K489 VanDerWaalsContact O-CG 3.31Å; P485-K489 WeakPolarHBondContact O-CG 3.44Å; P485-K489 PolarHBondContact O-N 2.87Å
486T91.4Very high84.7Confident71 Ų7183.8 Ų83.844%0.43645%0.453SS..Hα-helixtrans-70.6-52.4176-47.70000111.5C484 A488 K489 S490C484-T486 PolarHBondContact O-N 3.18Å; T486-A488 VanDerWaalsContact C-N 3.34Å; T486-A488 PolarHBondContact O-N 3.12Å; T486-K489 PolarHBondContact O-N 3.47Å; T486-S490 PolarHBondContact O-N 2.99Å; T486-S490 PolarHBondContact O-OG 3.37Å
487C92.7Very high83.2Confident12 Ų1284.4 Ų84.48%0.08145%0.451CS..Hα-helixtrans-67.8-33.5-179.5-65.40000112.4A459 C462 F483 C484 S490 L491A459-C487 HydrophobicContact CB-CB 3.81Å; C462-C487 VanDerWaalsContact SG-SG 3.66Å; F483-C487 HydrophobicContact CB-CB 4.37Å; C484-C487 PolarHBondContact O-N 3.26Å; C487-S490 PolarHBondContact O-N 3.38Å; C487-L491 WeakPolarHBondContact O-CB 3.42Å; C487-L491 WeakPolarHBondContact O-CG 3.02Å; C487-L491 PolarHBondContact O-N 3.16Å
488A89.7Confident81.7Confident37 Ų3789.6 Ų89.631%0.30646%0.463SS..Hα-helixtrans-62.1-42.1175.500000112.6F483 C484 T486 L491 N492F483-A488 HydrophobicContact CB-CB 4.39Å; C484-A488 WeakPolarHBondContact O-CB 3.38Å; C484-A488 PolarHBondContact O-N 3.39Å; T486-A488 VanDerWaalsContact C-N 3.34Å; T486-A488 PolarHBondContact O-N 3.12Å; A488-L491 PolarHBondContact O-N 3.06Å; A488-N492 PolarHBondContact O-N 3.22Å
489K86.9Confident80.1Confident152 Ų15295.5 Ų95.566%0.66148%0.483SS*.Hα-helixtrans-60.1-50.6172.5-72.3171.5-178.5-175.50110.9P485 T486 L491 N492 N493P485-K489 VanDerWaalsContact O-CG 3.31Å; P485-K489 WeakPolarHBondContact O-CG 3.44Å; P485-K489 PolarHBondContact O-N 2.87Å; T486-K489 PolarHBondContact O-N 3.47Å; K489-L491 VanDerWaalsContact C-N 3.31Å; K489-L491 PolarHBondContact O-N 3.31Å; K489-N492 PolarHBondContact O-N 3.4Å; K489-N492 VanDerWaalsContact O-N 3.1Å; K489-N493 PolarHBondContact O-N 3.48Å; K489-N493 VanDerWaalsContact O-N 3.08Å
490S84Confident78.5Confident61 Ų6189.3 Ų89.343%0.42747%0.467SS..Hα-helixtrans-60-37178.8-60.90000113.4T486 C487 N493 K494T486-S490 PolarHBondContact O-N 2.99Å; T486-S490 PolarHBondContact O-OG 3.37Å; C487-S490 PolarHBondContact O-N 3.38Å; S490-N493 PolarHBondContact O-N 3.18Å; S490-K494 WeakPolarHBondContact O-CG 3.29Å; S490-K494 PolarHBondContact O-N 3.07Å
491L80.7Confident76.9Confident57 Ų5790.2 Ų90.230%0.29846%0.463SS..Hα-helixtrans-67-34.8175.3-77.2166.5000112.8F483 C487 A488 K489 K495F483-L491 HydrophobicContact CB-CD1 4.16Å; F483-L491 HydrophobicContact CD1-CD1 3.51Å; F483-L491 HydrophobicContact CD2-CD1 3.7Å; F483-L491 HydrophobicContact CE1-CD1 3.66Å; F483-L491 HydrophobicContact CE2-CD1 3.87Å; F483-L491 HydrophobicContact CG-CD1 3.5Å; F483-L491 HydrophobicContact CZ-CD1 3.84Å; C487-L491 WeakPolarHBondContact O-CB 3.42Å; C487-L491 WeakPolarHBondContact O-CG 3.02Å; C487-L491 PolarHBondContact O-N 3.16Å; A488-L491 PolarHBondContact O-N 3.06Å; K489-L491 VanDerWaalsContact C-N 3.31Å; K489-L491 PolarHBondContact O-N 3.31Å; L491-K495 WeakPolarHBondContact O-CG 3.18Å; L491-K495 PolarHBondContact O-N 3.19Å
492N78.1Confident75.2Confident92 Ų9287 Ų8749%0.49247%0.467SS..Hα-helixtrans-72.9-38176-72.9-16.2000111.9A488 K489 K494 K495 S496A488-N492 PolarHBondContact O-N 3.22Å; K489-N492 PolarHBondContact O-N 3.4Å; K489-N492 VanDerWaalsContact O-N 3.1Å; N492-K494 VanDerWaalsContact C-N 3.35Å; N492-K494 PolarHBondContact O-N 2.87Å; N492-K495 WeakPolarHBondContact O-CB 3.41Å; N492-K495 PolarHBondContact O-N 2.81Å; N492-K495 VanDerWaalsContact O-N 3.12Å; N492-K495 PolarHBondContact OD1-NZ 2.73Å; N492-S496 PolarHBondContact O-N 3.11Å
493N74.2Confident73.4Confident108 Ų10896.2 Ų96.258%0.57850%0.502SS*.Hα-helixtrans-64.8-36.6173-69.7-0.6000112.2K489 S490 K495 S496K489-N493 PolarHBondContact O-N 3.48Å; K489-N493 VanDerWaalsContact O-N 3.08Å; S490-N493 PolarHBondContact O-N 3.18Å; N493-K495 VanDerWaalsContact C-N 3.29Å; N493-K495 PolarHBondContact O-N 3.49Å; N493-S496 PolarHBondContact O-N 3.29Å; N493-S496 PolarHBondContact O-OG 2.93Å
494K66.7Low70.9Confident135 Ų135106 Ų10659%0.58754%0.544SS*.Hα-helixtrans-66.4-26.3173.1-72.4177.5-179.7-178.50112.9S490 N492S490-K494 WeakPolarHBondContact O-CG 3.29Å; S490-K494 PolarHBondContact O-N 3.07Å; N492-K494 VanDerWaalsContact C-N 3.35Å; N492-K494 PolarHBondContact O-N 2.87Å
495K62Low69.8Low132 Ų132111.3 Ų111.357%0.57457%0.571SS**Hα-helixtrans-75.6-35.3176.9-70.4165.9-163.3164.10113.6L491 N492 N493L491-K495 WeakPolarHBondContact O-CG 3.18Å; L491-K495 PolarHBondContact O-N 3.19Å; N492-K495 WeakPolarHBondContact O-CB 3.41Å; N492-K495 PolarHBondContact O-N 2.81Å; N492-K495 VanDerWaalsContact O-N 3.12Å; N492-K495 PolarHBondContact OD1-NZ 2.73Å; N493-K495 VanDerWaalsContact C-N 3.29Å; N493-K495 PolarHBondContact O-N 3.49Å
496S58Low68.7Low74 Ų74113.8 Ų113.852%0.51758%0.58SS.*Hα-helixtrans-69.2-44.5179.856.20000111.6N492 N493 K498 K499N492-S496 PolarHBondContact O-N 3.11Å; N493-S496 PolarHBondContact O-N 3.29Å; N493-S496 PolarHBondContact O-OG 2.93Å; S496-K498 VanDerWaalsContact C-N 3.34Å; S496-K498 PolarHBondContact O-N 2.64Å; S496-K499 WeakPolarHBondContact O-CB 3.31Å; S496-K499 PolarHBondContact O-N 3.16Å
497I59.6Low67.5Low119 Ų119116.2 Ų116.261%0.6159%0.588SS**Hα-helixtrans-59.5-42.6177.8-62168.9000111.4K499 S500I497-K499 PolarHBondContact O-N 2.79Å; I497-S500 PolarHBondContact O-N 2.73Å; I497-S500 PolarHBondContact O-OG 3.42Å
498K58.6Low66Low167 Ų167122.4 Ų122.473%0.72662%0.618SS**Hα-helixtrans-69.8-10.9179.1-129.3178.4-174.4-178.80114.2S496 S501S496-K498 VanDerWaalsContact C-N 3.34Å; S496-K498 PolarHBondContact O-N 2.64Å; K498-S501 PolarHBondContact O-OG 3.26Å
499K57.2Low64.5Low173 Ų173127.7 Ų127.775%0.75264%0.637SS**Hα-helixtrans-93.7-20.1179.7-156.5173-174.4179.30113.2S496 I497S496-K499 WeakPolarHBondContact O-CB 3.31Å; S496-K499 PolarHBondContact O-N 3.16Å; I497-K499 PolarHBondContact O-N 2.79Å
500S56.7Low63Low85 Ų85126.1 Ų126.159%0.59464%0.635SS**Hα-helixtrans-84.6-30.6172.553.30000112.9I497 S502I497-S500 PolarHBondContact O-N 2.73Å; I497-S500 PolarHBondContact O-OG 3.42Å; S500-S502 VanDerWaalsContact C-N 3.29Å; S500-S502 PolarHBondContact O-N 2.76Å
501S55.5Low61.5Low88 Ų88130.7 Ų130.762%0.61565%0.65SS**THydrogen-bonded Turntrans-72.4-15.617965.90000114.8K498K498-S501 PolarHBondContact O-OG 3.26Å
502S56.9Low60Low107 Ų107136.4 Ų136.475%0.74868%0.677SS**THydrogen-bonded Turntrans-97.722.1-177.1-171.20000113.3S500S500-S502 VanDerWaalsContact C-N 3.29Å; S500-S502 PolarHBondContact O-N 2.76Å
503R54.6Low58.5Low229 Ų229140.1 Ų140.186%0.86469%0.693SS**  trans-139.129.9-168.2-143.1-179.3-163.5-165.83.3113.4
504K42.2Very low57.1Low264 Ų264143 Ų143100%1.14870%0.703SS**  trans-145.20-176.4-163.4175.9-173.3-179.20109.7

Retrieved 504 of 504 residues in 84.7 ms (Link to these results)

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