A0A5K4F6P1_SCHMA Loading...

Peptidase_M13 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6P1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 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
1M89.8Confident93.6Very high151 Ų15145.3 Ų45.374%0.74423%0.23SC*.  0-51.90-154.764.3-164.900112.7A3 I4 N5M1-A3 PolarHBondContact O-N 3.24Å; M1-I4 WeakPolarHBondContact O-CA 3.46Å; M1-I4 WeakPolarHBondContact O-CB 3.31Å; M1-I4 PolarHBondContact O-N 2.89Å; M1-N5 WeakPolarHBondContact CE-OD1 3.49Å; M1-N5 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-OD1 2.97Å
2A94.3Very high93.2Very high21 Ų2146.7 Ų46.717%0.17424%0.242CC..Hα-helixtrans-52.9-46.5-175.600000114.8I4 N5 Y6 F257 F334 M338A2-I4 VanDerWaalsContact C-N 3.32Å; A2-I4 PolarHBondContact O-N 2.93Å; A2-N5 PolarHBondContact O-N 3.33Å; A2-Y6 PolarHBondContact O-N 3.33Å; A2-F257 HydrophobicContact CB-CE1 3.81Å; A2-F257 HydrophobicContact CB-CZ 4.43Å; A2-F334 HydrophobicContact CB-CD1 4.19Å; A2-F334 HydrophobicContact CB-CE1 3.84Å; A2-M338 HydrophobicContact CB-CB 4.19Å; A2-M338 HydrophobicContact CB-CG 3.96Å
3A94.4Very high92.6Very high17 Ų1743.1 Ų43.114%0.1422%0.224CC..Hα-helixtrans-60.7-38.217600000113.2M1 Y6 Y7 V253 F257 T260M1-A3 PolarHBondContact O-N 3.24Å; A3-Y6 PolarHBondContact O-N 2.94Å; A3-Y7 WeakPolarHBondContact O-CB 3.41Å; A3-Y7 PolarHBondContact O-N 2.96Å; A3-V253 HydrophobicContact CB-CG1 4.29Å; A3-F257 HydrophobicContact CB-CB 3.92Å; A3-F257 HydrophobicContact CB-CD1 3.78Å; A3-F257 HydrophobicContact CB-CD2 3.9Å; A3-F257 HydrophobicContact CB-CE1 4.29Å; A3-F257 HydrophobicContact CB-CE2 4.4Å; A3-F257 HydrophobicContact CB-CG 3.57Å; A3-T260 HydrophobicContact CB-CG2 4.42Å
4I94.7Very high91.6Very high92 Ų9244.5 Ų44.547%0.47224%0.239SC..Hα-helixtrans-67-47.7176.9-65.2166000109.8M1 A2 Y6 Y7 Q8M1-I4 WeakPolarHBondContact O-CA 3.46Å; M1-I4 WeakPolarHBondContact O-CB 3.31Å; M1-I4 PolarHBondContact O-N 2.89Å; A2-I4 VanDerWaalsContact C-N 3.32Å; A2-I4 PolarHBondContact O-N 2.93Å; I4-Y6 VanDerWaalsContact C-N 3.27Å; I4-Y6 PolarHBondContact O-N 3.44Å; I4-Y7 WeakPolarHBondContact O-CB 3.16Å; I4-Y7 PolarHBondContact O-N 3.36Å; I4-Y7 VanDerWaalsContact O-N 3.15Å; I4-Q8 HydrophobicContact CG2-CG 4.21Å; I4-Q8 WeakPolarHBondContact O-CB 3.41Å; I4-Q8 WeakPolarHBondContact O-CG 3.47Å; I4-Q8 PolarHBondContact O-N 3.04Å
5N95.9Very high91Very high21 Ų2153.5 Ų53.511%0.11228%0.275CS..Hα-helixtrans-58.8-40.1177-68.86.7000111.7M1 A2 S9 M338M1-N5 WeakPolarHBondContact CE-OD1 3.49Å; M1-N5 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-OD1 2.97Å; A2-N5 PolarHBondContact O-N 3.33Å; N5-S9 WeakPolarHBondContact O-CB 3.37Å; N5-S9 PolarHBondContact O-N 2.96Å; N5-S9 PolarHBondContact O-OG 3.38Å; N5-M338 HydrophobicContact CB-CB 4.13Å; N5-M338 PolarHBondContact ND2-O 3.16Å
6Y95.2Very high90.7Very high4 Ų452.8 Ų52.82%0.01627%0.271CS..Hα-helixtrans-63.9-47.6175.8-167.1-73.5000111.6A2 A3 I4 Q8 S9 C10 E252 V253 N256 F257 M338 Y343 N346A2-Y6 PolarHBondContact O-N 3.33Å; A3-Y6 PolarHBondContact O-N 2.94Å; I4-Y6 VanDerWaalsContact C-N 3.27Å; I4-Y6 PolarHBondContact O-N 3.44Å; Y6-Q8 PolarHBondContact O-N 2.89Å; Y6-S9 PolarHBondContact O-N 3.44Å; Y6-S9 PolarHBondContact O-OG 2.99Å; Y6-S9 VanDerWaalsContact O-OG 3.11Å; Y6-C10 PolarHBondContact O-N 2.91Å; Y6-E252 HydrophobicContact CE1-CB 3.79Å; Y6-E252 PolarHBondContact OH-OE2 3.48Å; Y6-V253 HydrophobicContact CD1-CG2 3.93Å; Y6-N256 PolarHBondContact OH-ND2 3.48Å; Y6-F257 HydrophobicContact CD1-CE2 4.34Å; Y6-F257 AromaticContact CD2-CE2 3.76Å; Y6-F257 HydrophobicContact CD2-CE2 3.76Å; Y6-F257 HydrophobicContact CD2-CZ 4.09Å; Y6-F257 AromaticContact CG-CE2 3.62Å; Y6-F257 HydrophobicContact CG-CE2 3.62Å; Y6-F257 HydrophobicContact CG-CZ 4.22Å; Y6-M338 HydrophobicContact CD2-SD 3.92Å; Y6-Y343 HydrophobicContact CE1-CE2 4.42Å; Y6-N346 HydrophobicContact CD2-CB 3.71Å; Y6-N346 HydrophobicContact CE2-CB 3.81Å
7Y94.6Very high90.4Very high103 Ų10357.9 Ų57.940%0.40429%0.293SS..Hα-helixtrans-60.2-46.5178.1-177.3-105.8000112.1A3 I4 C10 T11 C249 I250 V253A3-Y7 WeakPolarHBondContact O-CB 3.41Å; A3-Y7 PolarHBondContact O-N 2.96Å; I4-Y7 WeakPolarHBondContact O-CB 3.16Å; I4-Y7 PolarHBondContact O-N 3.36Å; I4-Y7 VanDerWaalsContact O-N 3.15Å; Y7-C10 PolarHBondContact O-N 3.39Å; Y7-T11 HydrophobicContact CD1-CG2 4.37Å; Y7-T11 HydrophobicContact CD2-CG2 4.37Å; Y7-T11 HydrophobicContact CE1-CG2 3.93Å; Y7-T11 HydrophobicContact CE2-CG2 3.93Å; Y7-T11 WeakPolarHBondContact O-CB 3.38Å; Y7-T11 WeakPolarHBondContact O-CG2 3.32Å; Y7-T11 PolarHBondContact O-N 3.29Å; Y7-T11 PolarHBondContact O-OG1 3.12Å; Y7-C249 HydrophobicContact CD2-CB 3.99Å; Y7-C249 HydrophobicContact CE2-CB 3.94Å; Y7-I250 HydrophobicContact CE2-CB 4.44Å; Y7-I250 HydrophobicContact CE2-CD1 4.5Å; Y7-V253 HydrophobicContact CD2-CG2 4.07Å; Y7-V253 HydrophobicContact CG-CG2 4.42Å
8Q94.7Very high89.8Confident55 Ų5557.9 Ų57.926%0.25730%0.296SS..Hα-helixtrans-64.1-40.1178.1-72.2174.2-50.400111.7I4 Y6 T11 T12 E340I4-Q8 HydrophobicContact CG2-CG 4.21Å; I4-Q8 WeakPolarHBondContact O-CB 3.41Å; I4-Q8 WeakPolarHBondContact O-CG 3.47Å; I4-Q8 PolarHBondContact O-N 3.04Å; Y6-Q8 PolarHBondContact O-N 2.89Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.4Å; Q8-T11 PolarHBondContact O-N 3.29Å; Q8-T11 PolarHBondContact O-OG1 3.07Å; Q8-T12 WeakPolarHBondContact O-CB 3.44Å; Q8-T12 PolarHBondContact O-N 3.42Å; Q8-T12 PolarHBondContact O-OG1 2.99Å; Q8-E340 HydrophobicContact CB-CG 3.69Å; Q8-E340 HydrophobicContact CG-CG 4.43Å; Q8-E340 PolarHBondContact NE2-OE1 2.7Å; Q8-E340 VanDerWaalsContact OE1-CD 3.23Å; Q8-E340 PolarHBondContact OE1-OE1 2.78Å
9S93.8Very high89.4Confident2 Ų257.5 Ų57.51%0.01430%0.299CS..Hα-helixtrans-66.4-41.1178.180.20000112N5 Y6 N13 L339 E340 Y343 N346N5-S9 WeakPolarHBondContact O-CB 3.37Å; N5-S9 PolarHBondContact O-N 2.96Å; N5-S9 PolarHBondContact O-OG 3.38Å; Y6-S9 PolarHBondContact O-N 3.44Å; Y6-S9 PolarHBondContact O-OG 2.99Å; Y6-S9 VanDerWaalsContact O-OG 3.11Å; S9-N13 WeakPolarHBondContact O-CB 3.45Å; S9-N13 PolarHBondContact O-N 3.28Å; S9-L339 WeakPolarHBondContact CB-O 2.99Å; S9-E340 WeakPolarHBondContact CA-O 3.41Å; S9-E340 WeakPolarHBondContact CB-O 3.44Å; S9-E340 PolarHBondContact N-O 3.39Å; S9-Y343 WeakPolarHBondContact OG-CA 3.29Å; S9-N346 PolarHBondContact OG-ND2 3.4Å
10C92Very high89.2Confident0 Ų057.1 Ų57.10%030%0.3CS..Hα-helixtrans-62.6-48.1174-178.60000112.4Y6 Y7 T12 S14 C249 Y343Y6-C10 PolarHBondContact O-N 2.91Å; Y7-C10 PolarHBondContact O-N 3.39Å; C10-T12 PolarHBondContact O-N 3.22Å; C10-S14 PolarHBondContact O-N 3Å; C10-S14 VanDerWaalsContact O-N 3.13Å; C10-C249 HydrophobicContact CB-CB 3.71Å; C10-C249 WeakPolarHBondContact CB-SG 3.29Å; C10-C249 WeakPolarHBondContact SG-CA 3.38Å; C10-C249 WeakPolarHBondContact SG-CB 3.49Å; C10-C249 CovalentContact SG-SG 2.04Å; C10-C249 PolarHBondContact SG-SG 3.25Å; C10-Y343 VanDerWaalsContact CA-CD2 3.43Å; C10-Y343 HydrophobicContact CB-CD2 3.66Å; C10-Y343 HydrophobicContact CB-CE2 3.62Å
11T90.5Very high89Confident32 Ų3255.6 Ų55.620%0.19629%0.29CS..Hα-helixtrans-72.3-28.7-177.5520000113.8Y7 Q8 S14 C249Y7-T11 HydrophobicContact CD1-CG2 4.37Å; Y7-T11 HydrophobicContact CD2-CG2 4.37Å; Y7-T11 HydrophobicContact CE1-CG2 3.93Å; Y7-T11 HydrophobicContact CE2-CG2 3.93Å; Y7-T11 WeakPolarHBondContact O-CB 3.38Å; Y7-T11 WeakPolarHBondContact O-CG2 3.32Å; Y7-T11 PolarHBondContact O-N 3.29Å; Y7-T11 PolarHBondContact O-OG1 3.12Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.4Å; Q8-T11 PolarHBondContact O-N 3.29Å; Q8-T11 PolarHBondContact O-OG1 3.07Å; T11-S14 PolarHBondContact O-OG 3.25Å; T11-C249 HydrophobicContact CG2-CB 3.96Å
12T88.9Confident88.7Confident62 Ų6249.9 Ų49.938%0.3826%0.261SS..Hα-helixtrans-77.2-46.7174.6-55.70000110.3Q8 C10 S14 K15 E16Q8-T12 WeakPolarHBondContact O-CB 3.44Å; Q8-T12 PolarHBondContact O-N 3.42Å; Q8-T12 PolarHBondContact O-OG1 2.99Å; C10-T12 PolarHBondContact O-N 3.22Å; T12-S14 PolarHBondContact O-N 2.78Å; T12-K15 PolarHBondContact O-N 2.69Å; T12-E16 PolarHBondContact O-N 3.24Å
13N84.9Confident88.2Confident0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-59.1-32.9178.9-172.685.2000112.1S9 K15 E16 R21 Y229 Y343 F344S9-N13 WeakPolarHBondContact O-CB 3.45Å; S9-N13 PolarHBondContact O-N 3.28Å; N13-K15 PolarHBondContact O-N 3.36Å; N13-E16 PolarHBondContact O-N 3.42Å; N13-R21 WeakPolarHBondContact O-CD 3.17Å; N13-Y229 WeakPolarHBondContact ND2-CD2 3.38Å; N13-Y229 WeakPolarHBondContact ND2-CE2 3.18Å; N13-Y343 HydrophobicContact CB-CD1 4.38Å; N13-Y343 HydrophobicContact CB-CG 4.16Å; N13-F344 WeakPolarHBondContact OD1-CE2 3.23Å
14S78.8Confident87.8Confident63 Ų6352.8 Ų52.844%0.44127%0.268SS..THydrogen-bonded Turntrans-66.9-14.5175680000115.4C10 T11 T12 Y229C10-S14 PolarHBondContact O-N 3Å; C10-S14 VanDerWaalsContact O-N 3.13Å; T11-S14 PolarHBondContact O-OG 3.25Å; T12-S14 PolarHBondContact O-N 2.78Å; S14-Y229 VanDerWaalsContact CA-CE1 3.42Å
15K83.3Confident87.5Confident179 Ų17948.5 Ų48.578%0.77825%0.245SC*.THydrogen-bonded Turntrans-105.4-8.4178.1-60.6175.3-176.1175.80113.2T12 N13T12-K15 PolarHBondContact O-N 2.69Å; N13-K15 PolarHBondContact O-N 3.36Å
16E85.1Confident86.9Confident43 Ų4347.6 Ų47.620%0.20124%0.241CC..SBendtrans-77.2149.4-177.7-75.9176179.700112.5T12 N13 T20 R21 K24T12-E16 PolarHBondContact O-N 3.24Å; N13-E16 PolarHBondContact O-N 3.42Å; E16-T20 HydrophobicContact CB-CG2 4.49Å; E16-T20 HydrophobicContact CG-CG2 4.46Å; E16-R21 HydrophobicContact CB-CG 3.95Å; E16-R21 PolarHBondContact O-NE 2.82Å; E16-K24 IonicContact OE1-NZ 2.67Å; E16-K24 PolarHBondContact OE1-NZ 3.27Å; E16-K24 VanDerWaalsContact OE2-CE 3.29Å; E16-K24 WeakPolarHBondContact OE2-CE 3.33Å; E16-K24 IonicContact OE2-NZ 3.48Å; E16-K24 PolarHBondContact OE2-NZ 2.64Å
17E85.4Confident86.5Confident140 Ų14052.6 Ų52.665%0.65426%0.264SS*.  trans-60150.1173.4-66.1-172.6175.700111.7S19 T20 R21E17-S19 WeakPolarHBondContact CB-OG 3.46Å; E17-S19 PolarHBondContact O-N 2.94Å; E17-S19 PolarHBondContact OE2-OG 3.41Å; E17-T20 PolarHBondContact O-N 3.48Å; E17-R21 PolarHBondContact O-N 3.22Å; E17-R21 VanDerWaalsContact O-N 3.15Å; E17-R21 PolarHBondContact O-NE 3.28Å
18T81Confident86.3Confident57 Ų5747.9 Ų47.935%0.3525%0.246SC..Hα-helixtrans-56.2-35.9177.9-52.80000112.6R21 K22 F230T18-R21 PolarHBondContact O-N 3.18Å; T18-R21 PolarHBondContact OG1-NH2 3.22Å; T18-K22 HydrophobicContact CG2-CD 4.46Å; T18-K22 WeakPolarHBondContact O-CG 3.39Å; T18-K22 PolarHBondContact O-N 3.35Å; T18-F230 HydrophobicContact CG2-CD1 3.75Å; T18-F230 HydrophobicContact CG2-CE1 3.64Å
19S81.8Confident86.1Confident51 Ų5145.2 Ų45.236%0.35723%0.234SC..Hα-helixtrans-57.8-53.8175.447.70000112E17 R21 K22 E23E17-S19 WeakPolarHBondContact CB-OG 3.46Å; E17-S19 PolarHBondContact O-N 2.94Å; E17-S19 PolarHBondContact OE2-OG 3.41Å; S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 PolarHBondContact O-N 3.41Å; S19-K22 WeakPolarHBondContact O-CB 3.47Å; S19-K22 PolarHBondContact O-N 3.48Å; S19-K22 VanDerWaalsContact O-N 3.14Å; S19-E23 PolarHBondContact O-N 2.86Å
20T85.5Confident85.7Confident49 Ų4945.8 Ų45.830%0.30124%0.238SC..Hα-helixtrans-60.2-41.5-179.7-57.40000111E16 E17 E23 K24E16-T20 HydrophobicContact CB-CG2 4.49Å; E16-T20 HydrophobicContact CG-CG2 4.46Å; E17-T20 PolarHBondContact O-N 3.48Å; T20-E23 WeakPolarHBondContact O-CB 3.44Å; T20-E23 PolarHBondContact O-N 3.41Å; T20-K24 PolarHBondContact O-N 2.94Å; T20-K24 VanDerWaalsContact O-N 3.09Å
21R85.1Confident85.5Confident26 Ų2652 Ų5210%0.09827%0.265CS..Hα-helixtrans-67.1-38.6177.8-64.4177.8-76.7162.75.7112.1N13 E16 E17 T18 S19 E23 K24 I25 Y229 F230 F344N13-R21 WeakPolarHBondContact O-CD 3.17Å; E16-R21 HydrophobicContact CB-CG 3.95Å; E16-R21 PolarHBondContact O-NE 2.82Å; E17-R21 PolarHBondContact O-N 3.22Å; E17-R21 VanDerWaalsContact O-N 3.15Å; E17-R21 PolarHBondContact O-NE 3.28Å; T18-R21 PolarHBondContact O-N 3.18Å; T18-R21 PolarHBondContact OG1-NH2 3.22Å; S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 PolarHBondContact O-N 3.41Å; R21-E23 VanDerWaalsContact C-N 3.32Å; R21-E23 PolarHBondContact O-N 2.99Å; R21-K24 PolarHBondContact O-N 3.09Å; R21-I25 WeakPolarHBondContact O-CG1 3.49Å; R21-I25 PolarHBondContact O-N 2.97Å; R21-I25 VanDerWaalsContact O-N 3.12Å; R21-Y229 VanDerWaalsContact NH1-C 3.31Å; R21-Y229 PolarHBondContact NH1-O 3.47Å; R21-Y229 PolarHBondContact NH2-O 2.97Å; R21-F230 HydrophobicContact CB-CE1 4Å; R21-F230 HydrophobicContact CB-CE2 4.08Å; R21-F230 HydrophobicContact CB-CZ 3.3Å; R21-F344 HydrophobicContact CB-CE2 4.14Å; R21-F344 HydrophobicContact CB-CZ 4.35Å
22K82.4Confident85.5Confident31 Ų3151.6 Ų51.614%0.13526%0.261CS..Hα-helixtrans-61.2-41.4174.2-75.9177.5-179.3179.40110.7T18 S19 I25 V26 F230 E232T18-K22 HydrophobicContact CG2-CD 4.46Å; T18-K22 WeakPolarHBondContact O-CG 3.39Å; T18-K22 PolarHBondContact O-N 3.35Å; S19-K22 WeakPolarHBondContact O-CB 3.47Å; S19-K22 PolarHBondContact O-N 3.48Å; S19-K22 VanDerWaalsContact O-N 3.14Å; K22-I25 PolarHBondContact O-N 3.1Å; K22-V26 WeakPolarHBondContact O-CG2 3.49Å; K22-V26 PolarHBondContact O-N 3.39Å; K22-F230 HydrophobicContact CG-CD1 4.47Å; K22-F230 HydrophobicContact CG-CE1 3.65Å; K22-F230 HydrophobicContact CG-CZ 4.14Å; K22-E232 IonicContact NZ-OE2 2.65Å; K22-E232 PolarHBondContact NZ-OE2 3.3Å; K22-E232 VanDerWaalsContact NZ-OE2 3.12Å
23E83.9Confident85.6Confident75 Ų7548.7 Ų48.735%0.3524%0.244SC..Hα-helixtrans-62-44.4176.2-72.7167.9-17000112.3S19 T20 R21 I25 V26 Q27 L40S19-E23 PolarHBondContact O-N 2.86Å; T20-E23 WeakPolarHBondContact O-CB 3.44Å; T20-E23 PolarHBondContact O-N 3.41Å; R21-E23 VanDerWaalsContact C-N 3.32Å; R21-E23 PolarHBondContact O-N 2.99Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-I25 PolarHBondContact O-N 3.41Å; E23-V26 PolarHBondContact O-N 3Å; E23-V26 VanDerWaalsContact O-N 3.13Å; E23-Q27 WeakPolarHBondContact O-CG 3.43Å; E23-Q27 PolarHBondContact O-N 3.3Å; E23-L40 HydrophobicContact CG-CD1 4.19Å; E23-L40 HydrophobicContact CG-CD2 4.23Å
24K86.8Confident85.5Confident24 Ų2451.3 Ų51.310%0.10426%0.257CS..Hα-helixtrans-61.5-36.1175.7-69.3-178.7-179-177.80113E16 T20 R21 Q27 L28 N341 F344E16-K24 IonicContact OE1-NZ 2.67Å; E16-K24 PolarHBondContact OE1-NZ 3.27Å; E16-K24 VanDerWaalsContact OE2-CE 3.29Å; E16-K24 WeakPolarHBondContact OE2-CE 3.33Å; E16-K24 IonicContact OE2-NZ 3.48Å; E16-K24 PolarHBondContact OE2-NZ 2.64Å; T20-K24 PolarHBondContact O-N 2.94Å; T20-K24 VanDerWaalsContact O-N 3.09Å; R21-K24 PolarHBondContact O-N 3.09Å; K24-Q27 PolarHBondContact O-N 3.06Å; K24-L28 WeakPolarHBondContact O-CB 3.36Å; K24-L28 PolarHBondContact O-N 2.96Å; K24-N341 WeakPolarHBondContact CE-O 3.48Å; K24-N341 PolarHBondContact NZ-O 3.44Å; K24-F344 HydrophobicContact CB-CD2 3.93Å; K24-F344 HydrophobicContact CB-CE2 4.3Å
25I87.3Confident85.4Confident1 Ų148.3 Ų48.31%0.00524%0.236CC..Hα-helixtrans-65.4-44.9173.4-69.9165.6000110.8R21 K22 E23 Q27 L28 I29 L114 L219 L226 F230 F344R21-I25 WeakPolarHBondContact O-CG1 3.49Å; R21-I25 PolarHBondContact O-N 2.97Å; R21-I25 VanDerWaalsContact O-N 3.12Å; K22-I25 PolarHBondContact O-N 3.1Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-I25 PolarHBondContact O-N 3.41Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 3.2Å; I25-L28 WeakPolarHBondContact O-CB 3.01Å; I25-L28 PolarHBondContact O-N 3.43Å; I25-I29 HydrophobicContact CG2-CD1 3.82Å; I25-I29 HydrophobicContact CG2-CG1 4.41Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.29Å; I25-I29 PolarHBondContact O-N 3.1Å; I25-L114 HydrophobicContact CG2-CD2 4.13Å; I25-L219 HydrophobicContact CG2-CD1 4.32Å; I25-L219 HydrophobicContact CG2-CD2 3.83Å; I25-L226 HydrophobicContact CD1-CD2 3.46Å; I25-L226 VanDerWaalsContact CD1-CD2 3.46Å; I25-L226 HydrophobicContact CG1-CD2 4.11Å; I25-F230 HydrophobicContact CD1-CD2 4.15Å; I25-F230 HydrophobicContact CD1-CE2 3.3Å; I25-F230 HydrophobicContact CD1-CZ 3.64Å; I25-F344 HydrophobicContact CD1-CE1 4.34Å; I25-F344 HydrophobicContact CD1-CE2 4.29Å; I25-F344 HydrophobicContact CD1-CZ 4.11Å; I25-F344 HydrophobicContact CG1-CD1 4.32Å; I25-F344 HydrophobicContact CG1-CD2 3.89Å; I25-F344 HydrophobicContact CG1-CE1 4.35Å; I25-F344 HydrophobicContact CG1-CE2 3.92Å; I25-F344 HydrophobicContact CG1-CG 4.1Å; I25-F344 HydrophobicContact CG1-CZ 4.16Å
26V84.7Confident85.2Confident2 Ų240.1 Ų40.11%0.01220%0.201CC..Hα-helixtrans-62.6-38.5177171.40000111.3K22 E23 I29 S30 W36 L40K22-V26 WeakPolarHBondContact O-CG2 3.49Å; K22-V26 PolarHBondContact O-N 3.39Å; E23-V26 PolarHBondContact O-N 3Å; E23-V26 VanDerWaalsContact O-N 3.13Å; V26-I29 PolarHBondContact O-N 3.42Å; V26-S30 WeakPolarHBondContact O-CB 3.19Å; V26-S30 PolarHBondContact O-N 2.86Å; V26-S30 PolarHBondContact O-OG 2.94Å; V26-W36 HydrophobicContact CG1-CB 4.45Å; V26-L40 HydrophobicContact CG1-CB 4.3Å
27Q86.6Confident84.4Confident110 Ų11038.5 Ų38.551%0.51419%0.193SC..Hα-helixtrans-63.5-44.1173.6-71.8173.91.400111.6E23 K24 I25 S30 F31E23-Q27 WeakPolarHBondContact O-CG 3.43Å; E23-Q27 PolarHBondContact O-N 3.3Å; K24-Q27 PolarHBondContact O-N 3.06Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 3.2Å; Q27-S30 PolarHBondContact O-N 3.34Å; Q27-F31 WeakPolarHBondContact O-CB 3.3Å; Q27-F31 PolarHBondContact O-N 3.19Å
28L90.6Very high83Confident3 Ų332.6 Ų32.62%0.01617%0.167CC..Hα-helixtrans-60.3-46.8175175.364000111.7K24 I25 S30 F31 L32 F218 M222 F344 T345K24-L28 WeakPolarHBondContact O-CB 3.36Å; K24-L28 PolarHBondContact O-N 2.96Å; I25-L28 WeakPolarHBondContact O-CB 3.01Å; I25-L28 PolarHBondContact O-N 3.43Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 2.99Å; L28-F31 PolarHBondContact O-N 2.82Å; L28-L32 HydrophobicContact CD1-CD1 3.55Å; L28-L32 HydrophobicContact CD1-CG 3.9Å; L28-L32 HydrophobicContact CG-CD1 3.98Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.45Å; L28-F218 HydrophobicContact CD2-CE1 3.94Å; L28-F218 HydrophobicContact CD2-CZ 4.11Å; L28-F218 HydrophobicContact CG-CE1 4.3Å; L28-F218 HydrophobicContact CG-CZ 4.44Å; L28-M222 HydrophobicContact CD2-SD 4.14Å; L28-F344 HydrophobicContact CD2-CB 3.82Å; L28-T345 WeakPolarHBondContact CD1-OG1 3.48Å
29I89.2Confident81.5Confident0 Ų032.4 Ų32.40%017%0.167CC..Hα-helixtrans-59.4-48.7176.8-68.1161.9000110I25 V26 F31 L32 F33 W36 V215 L219I25-I29 HydrophobicContact CG2-CD1 3.82Å; I25-I29 HydrophobicContact CG2-CG1 4.41Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.29Å; I25-I29 PolarHBondContact O-N 3.1Å; V26-I29 PolarHBondContact O-N 3.42Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 2.99Å; I29-L32 PolarHBondContact O-N 3.35Å; I29-F33 HydrophobicContact CB-CD2 4.47Å; I29-F33 HydrophobicContact CG2-CD2 4.03Å; I29-F33 WeakPolarHBondContact O-CB 3.38Å; I29-F33 WeakPolarHBondContact O-CD2 3.48Å; I29-F33 PolarHBondContact O-N 3.41Å; I29-W36 HydrophobicContact CG2-CB 3.92Å; I29-W36 HydrophobicContact CG2-CD2 3.93Å; I29-W36 HydrophobicContact CG2-CE3 3.68Å; I29-W36 HydrophobicContact CG2-CG 4.05Å; I29-V215 HydrophobicContact CD1-CG1 3.73Å; I29-V215 HydrophobicContact CG1-CG1 3.94Å; I29-V215 HydrophobicContact CG2-CG1 3.91Å; I29-V215 HydrophobicContact CG2-CG2 3.73Å; I29-L219 HydrophobicContact CD1-CD1 3.98Å
30S86.4Confident80Confident14 Ų1432.1 Ų32.110%0.09816%0.161CC..Hα-helixtrans-61.6-39-177.7-58.80000111.6V26 Q27 L28 N34 G35V26-S30 WeakPolarHBondContact O-CB 3.19Å; V26-S30 PolarHBondContact O-N 2.86Å; V26-S30 PolarHBondContact O-OG 2.94Å; Q27-S30 PolarHBondContact O-N 3.34Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 2.99Å; S30-N34 PolarHBondContact O-N 2.66Å; S30-G35 PolarHBondContact O-N 3.39Å
31F87.7Confident78.2Confident129 Ų12931 Ų3157%0.56616%0.16SC*.Hα-helixtrans-66.9-45.1175.9174.3-106.7000113Q27 L28 I29Q27-F31 WeakPolarHBondContact O-CB 3.3Å; Q27-F31 PolarHBondContact O-N 3.19Å; L28-F31 PolarHBondContact O-N 2.82Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 2.99Å
32L91Very high76Confident25 Ų2534.1 Ų34.113%0.13119%0.185CC..Hα-helixtrans-81.8-29.7-174.9-69.1179.4000114.1L28 I29 P67 F218 Y348L28-L32 HydrophobicContact CD1-CD1 3.55Å; L28-L32 HydrophobicContact CD1-CG 3.9Å; L28-L32 HydrophobicContact CG-CD1 3.98Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.45Å; I29-L32 PolarHBondContact O-N 3.35Å; L32-P67 HydrophobicContact CB-CB 4.4Å; L32-P67 HydrophobicContact CB-CG 4.12Å; L32-P67 HydrophobicContact CD1-CB 4.31Å; L32-P67 HydrophobicContact CD2-CG 4.42Å; L32-F218 HydrophobicContact CD1-CE1 4.04Å; L32-F218 HydrophobicContact CD1-CE2 3.58Å; L32-F218 HydrophobicContact CD1-CZ 3.29Å; L32-Y348 HydrophobicContact CD1-CD1 4.2Å; L32-Y348 HydrophobicContact CD1-CD2 4.35Å; L32-Y348 HydrophobicContact CD1-CE1 4.24Å; L32-Y348 HydrophobicContact CD1-CE2 4.4Å; L32-Y348 HydrophobicContact CD1-CG 4.25Å; L32-Y348 HydrophobicContact CD2-CD1 4.28Å; L32-Y348 HydrophobicContact CD2-CE1 3.77Å
33F90.1Very high73.9Confident1 Ų139.3 Ų39.30%0.00422%0.215CC..THydrogen-bonded Turntrans-121.122-170-55.7-72.4000113.3I29 G35 L64 P67 L68 H211 I214 V215 F218I29-F33 HydrophobicContact CB-CD2 4.47Å; I29-F33 HydrophobicContact CG2-CD2 4.03Å; I29-F33 WeakPolarHBondContact O-CB 3.38Å; I29-F33 WeakPolarHBondContact O-CD2 3.48Å; I29-F33 PolarHBondContact O-N 3.41Å; F33-G35 VanDerWaalsContact C-N 3.32Å; F33-G35 PolarHBondContact O-N 3.02Å; F33-L64 HydrophobicContact CB-CD2 4.04Å; F33-L64 HydrophobicContact CD1-CD2 4.26Å; F33-L64 WeakPolarHBondContact CD1-O 3.31Å; F33-L64 WeakPolarHBondContact CE1-O 3.32Å; F33-P67 HydrophobicContact CD1-CG 4.43Å; F33-P67 HydrophobicContact CE1-CB 3.9Å; F33-P67 HydrophobicContact CE1-CG 3.87Å; F33-P67 HydrophobicContact CZ-CB 3.87Å; F33-P67 HydrophobicContact CZ-CG 4.26Å; F33-L68 HydrophobicContact CE1-CD1 3.64Å; F33-L68 HydrophobicContact CZ-CD1 3.86Å; F33-H211 PolarHBondContact O-NE2 3.34Å; F33-I214 HydrophobicContact CD1-CG2 3.59Å; F33-I214 HydrophobicContact CE1-CG2 3.39Å; F33-I214 HydrophobicContact CZ-CG2 4.25Å; F33-V215 HydrophobicContact CB-CG2 4.34Å; F33-V215 HydrophobicContact CD2-CG2 3.86Å; F33-V215 HydrophobicContact CE2-CG2 4.37Å; F33-V215 HydrophobicContact CG-CG2 4.08Å; F33-F218 HydrophobicContact CE2-CB 3.94Å; F33-F218 AromaticContact CE2-CD1 3.8Å; F33-F218 HydrophobicContact CE2-CD1 3.8Å; F33-F218 HydrophobicContact CE2-CD2 4.02Å; F33-F218 HydrophobicContact CE2-CE1 4.33Å; F33-F218 AromaticContact CE2-CG 3.64Å; F33-F218 HydrophobicContact CE2-CG 3.64Å; F33-F218 HydrophobicContact CZ-CB 3.59Å; F33-F218 HydrophobicContact CZ-CD1 4.16Å; F33-F218 AromaticContact CZ-CD2 3.58Å; F33-F218 HydrophobicContact CZ-CD2 3.58Å; F33-F218 HydrophobicContact CZ-CE2 4.3Å; F33-F218 AromaticContact CZ-CG 3.5Å; F33-F218 HydrophobicContact CZ-CG 3.5Å
34N83.2Confident72.1Confident54 Ų5443.2 Ų43.229%0.28924%0.238SC..THydrogen-bonded Turntrans54.642.9178.5-65.4-20.2000113.7S30 N52 L58S30-N34 PolarHBondContact O-N 2.66Å; N34-N52 PolarHBondContact O-ND2 3.05Å; N34-L58 PolarHBondContact ND2-O 2.88Å
35G76.8Confident69.9Low0 Ų048.1 Ų48.10%027%0.265CS..  trans118.8172.6174.900000114.7S30 F33 H211S30-G35 PolarHBondContact O-N 3.39Å; F33-G35 VanDerWaalsContact C-N 3.32Å; F33-G35 PolarHBondContact O-N 3.02Å; G35-H211 PolarHBondContact O-CE1 3.2Å; G35-H211 PolarHBondContact O-NE2 2.93Å
36W78.6Confident67.6Low8 Ų851.9 Ų51.93%0.0331%0.305CS..BIsolated β-bridgetrans-145.2157.3176.1-175.9-124.1000111V26 I29 S38 I49 L111 L114 H211 V215V26-W36 HydrophobicContact CG1-CB 4.45Å; I29-W36 HydrophobicContact CG2-CB 3.92Å; I29-W36 HydrophobicContact CG2-CD2 3.93Å; I29-W36 HydrophobicContact CG2-CE3 3.68Å; I29-W36 HydrophobicContact CG2-CG 4.05Å; W36-S38 PolarHBondContact O-N 3.11Å; W36-I49 WeakPolarHBondContact O-CG2 3.44Å; W36-L111 HydrophobicContact CH2-CD2 4.36Å; W36-L114 HydrophobicContact CH2-CD1 4.43Å; W36-L114 HydrophobicContact CZ2-CB 3.95Å; W36-L114 HydrophobicContact CZ2-CD1 3.81Å; W36-L114 PolarHBondContact NE1-O 2.86Å; W36-H211 AromaticContact CE3-CE1 3.92Å; W36-V215 HydrophobicContact CE3-CB 4.3Å; W36-V215 HydrophobicContact CE3-CG1 4.01Å; W36-V215 HydrophobicContact CE3-CG2 3.96Å; W36-V215 HydrophobicContact CH2-CB 4.16Å; W36-V215 HydrophobicContact CH2-CG1 3.73Å; W36-V215 HydrophobicContact CZ2-CG1 4.5Å; W36-V215 HydrophobicContact CZ3-CB 3.59Å; W36-V215 HydrophobicContact CZ3-CG1 3.45Å; W36-V215 VanDerWaalsContact CZ3-CG1 3.45Å; W36-V215 HydrophobicContact CZ3-CG2 3.66Å
37L68.2Low66.1Low9 Ų957 Ų575%0.04733%0.327CS..SBendtrans-76.436.5179.7-60.5170.1000113.2I49 A116 Q117 E118 L123L37-I49 HydrophobicContact CD2-CD1 4.12Å; L37-I49 HydrophobicContact CD2-CG2 3.56Å; L37-I49 HydrophobicContact CG-CD1 4.14Å; L37-I49 HydrophobicContact CG-CG2 4.31Å; L37-A116 CarbonylContact O-C 3.57Å; L37-A116 VanDerWaalsContact O-CA 3.27Å; L37-A116 WeakPolarHBondContact O-CA 3.43Å; L37-Q117 PolarHBondContact O-N 3.12Å; L37-E118 VanDerWaalsContact CD2-CD 3.44Å; L37-E118 HydrophobicContact CD2-CG 3.97Å; L37-E118 WeakPolarHBondContact CD2-OE1 3.36Å; L37-L123 HydrophobicContact CD1-CD1 3.7Å
38S57.3Low64.8Low15 Ų1555.4 Ų55.411%0.10532%0.322CS..SBendtrans-132.5140.7-176.7-1690000113W36 L40 G41 K115W36-S38 PolarHBondContact O-N 3.11Å; S38-L40 PolarHBondContact O-N 2.97Å; S38-L40 PolarHBondContact OG-N 2.68Å; S38-G41 PolarHBondContact O-N 2.99Å; S38-K115 WeakPolarHBondContact CB-O 3.44Å; S38-K115 PolarHBondContact OG-O 3.49Å
39P49.2Very low63.6Low53 Ų5355.7 Ų55.734%0.34432%0.323SS..G310 helixtrans-66.9-16.3173.728.9-36.9000113.1G41 S42 Q117P39-G41 PolarHBondContact O-N 2.83Å; P39-G41 VanDerWaalsContact O-N 3.13Å; P39-S42 VanDerWaalsContact O-CB 3.26Å; P39-S42 WeakPolarHBondContact O-CB 3.48Å; P39-S42 PolarHBondContact O-N 3.25Å; P39-S42 PolarHBondContact O-OG 3.42Å; P39-Q117 HydrophobicContact CG-CG 4.1Å
40L50.4Low62.4Low46 Ų4658 Ų5824%0.24134%0.339CS..G310 helixtrans-66.1-11.3178.6-70.8175.5000114E23 V26 S38 K115E23-L40 HydrophobicContact CG-CD1 4.19Å; E23-L40 HydrophobicContact CG-CD2 4.23Å; V26-L40 HydrophobicContact CG1-CB 4.3Å; S38-L40 PolarHBondContact O-N 2.97Å; S38-L40 PolarHBondContact OG-N 2.68Å; L40-K115 HydrophobicContact CD1-CB 4.34Å; L40-K115 HydrophobicContact CD1-CD 3.5Å; L40-K115 VanDerWaalsContact CD1-CD 3.5Å; L40-K115 HydrophobicContact CD1-CG 4.11Å; L40-K115 HydrophobicContact CG-CD 4.07Å
41G46Very low61.5Low26 Ų2664.5 Ų64.527%0.26837%0.366SS..G310 helixtrans-90.35.617200000114.5S38 P39 D43S38-G41 PolarHBondContact O-N 2.99Å; P39-G41 PolarHBondContact O-N 2.83Å; P39-G41 VanDerWaalsContact O-N 3.13Å; G41-D43 PolarHBondContact O-N 3.12Å
42S40.5Very low60.8Low90 Ų9059.2 Ų59.263%0.62934%0.344SS*.  trans-84.71.3-169.5650000116P39 N44P39-S42 VanDerWaalsContact O-CB 3.26Å; P39-S42 WeakPolarHBondContact O-CB 3.48Å; P39-S42 PolarHBondContact O-N 3.25Å; P39-S42 PolarHBondContact O-OG 3.42Å; S42-N44 PolarHBondContact O-N 3.22Å
43D38.3Very low60Low141 Ų14158.1 Ų58.175%0.75434%0.338SS*.SBendtrans-84106.6177.9-71.8-24.2000112.1G41 N45G41-D43 PolarHBondContact O-N 3.12Å; D43-N45 PolarHBondContact O-N 2.83Å
44N44.5Very low58.9Low157 Ų15761.8 Ų61.884%0.8436%0.364SS*.SBendtrans71.9-5.7159.6-67.8-24.4000121.2S42S42-N44 PolarHBondContact O-N 3.22Å
45N42.1Very low58.5Low126 Ų12662.3 Ų62.367%0.67437%0.366SS*.SBendtrans-140.886.8170.2-86.6-29.4000112.4D43 F47D43-N45 PolarHBondContact O-N 2.83Å; N45-F47 VanDerWaalsContact C-N 3.27Å; N45-F47 WeakPolarHBondContact O-CD2 3.49Å; N45-F47 PolarHBondContact O-N 3.03Å
46G39.3Very low58.2Low81 Ų8168 Ų6884%0.83540%0.397SS*.  trans45.4-3.4140.300000124.4N48G46-N48 VanDerWaalsContact C-N 3.33Å; G46-N48 PolarHBondContact O-N 2.93Å
47F51.8Low57.9Low108 Ų10876.5 Ų76.547%0.47443%0.434SS..  trans-86.769.2-170.8-76.1-79.3000112.3N45 I49N45-F47 VanDerWaalsContact C-N 3.27Å; N45-F47 WeakPolarHBondContact O-CD2 3.49Å; N45-F47 PolarHBondContact O-N 3.03Å; F47-I49 PolarHBondContact O-N 3.31Å
48N59Low58Low78 Ų7879.4 Ų79.442%0.41745%0.449SS..BIsolated β-bridgetrans-81103.6170.1-169.9-14.6000109.7G46 S50 K51 N52G46-N48 VanDerWaalsContact C-N 3.33Å; G46-N48 PolarHBondContact O-N 2.93Å; N48-S50 PolarHBondContact ND2-OG 3.47Å; N48-S50 PolarHBondContact O-N 3.35Å; N48-S50 VanDerWaalsContact O-N 3.11Å; N48-S50 WeakPolarHBondContact OD1-CB 3.42Å; N48-S50 PolarHBondContact OD1-N 3.42Å; N48-S50 VanDerWaalsContact OD1-N 3.13Å; N48-S50 PolarHBondContact OD1-OG 2.92Å; N48-K51 HydrophobicContact CB-CD 4.47Å; N48-K51 HydrophobicContact CB-CG 4.36Å; N48-K51 PolarHBondContact O-N 3.08Å; N48-N52 PolarHBondContact O-N 3.42Å
49I65.5Low59.1Low9 Ų979 Ų795%0.04645%0.446CS..Hα-helixtrans-54.8-31.6179.4-166.4169.9000112.8W36 L37 F47 K51 N52 I53 H211W36-I49 WeakPolarHBondContact O-CG2 3.44Å; L37-I49 HydrophobicContact CD2-CD1 4.12Å; L37-I49 HydrophobicContact CD2-CG2 3.56Å; L37-I49 HydrophobicContact CG-CD1 4.14Å; L37-I49 HydrophobicContact CG-CG2 4.31Å; F47-I49 PolarHBondContact O-N 3.31Å; I49-K51 VanDerWaalsContact C-N 3.26Å; I49-K51 PolarHBondContact O-N 2.87Å; I49-N52 PolarHBondContact O-N 2.86Å; I49-I53 HydrophobicContact CD1-CD1 4.07Å; I49-I53 HydrophobicContact CG1-CD1 3.65Å; I49-I53 HydrophobicContact CG1-CG1 3.87Å; I49-I53 WeakPolarHBondContact O-CB 3.27Å; I49-I53 VanDerWaalsContact O-CG1 3.29Å; I49-I53 WeakPolarHBondContact O-CG1 3.46Å; I49-I53 PolarHBondContact O-N 2.96Å; I49-H211 WeakPolarHBondContact CD1-CE1 3.43Å; I49-H211 WeakPolarHBondContact CD1-ND1 3.3Å
50S64.3Low60.8Low47 Ų4779 Ų7933%0.32944%0.443SS..Hα-helixtrans-64.4-30.117866.60000112.9N48N48-S50 PolarHBondContact ND2-OG 3.47Å; N48-S50 PolarHBondContact O-N 3.35Å; N48-S50 VanDerWaalsContact O-N 3.11Å; N48-S50 WeakPolarHBondContact OD1-CB 3.42Å; N48-S50 PolarHBondContact OD1-N 3.42Å; N48-S50 VanDerWaalsContact OD1-N 3.13Å; N48-S50 PolarHBondContact OD1-OG 2.92Å
51K68.2Low62.7Low151 Ų15177 Ų7766%0.65743%0.432SS*.Hα-helixtrans-77.7-42.4171.9-68.3-174.5177.5-178.40111.4N48 I49 I53 S54 D55N48-K51 HydrophobicContact CB-CD 4.47Å; N48-K51 HydrophobicContact CB-CG 4.36Å; N48-K51 PolarHBondContact O-N 3.08Å; I49-K51 VanDerWaalsContact C-N 3.26Å; I49-K51 PolarHBondContact O-N 2.87Å; K51-I53 PolarHBondContact O-N 3.15Å; K51-S54 PolarHBondContact O-N 2.88Å; K51-D55 PolarHBondContact O-N 2.76Å
52N73.6Confident65Low19 Ų1975.8 Ų75.810%0.10242%0.419CS..Hα-helixtrans-68.8-36.4-174.7-65.2-6.5000112.5N34 N48 I49 S54 D55 L58N34-N52 PolarHBondContact O-ND2 3.05Å; N48-N52 PolarHBondContact O-N 3.42Å; I49-N52 PolarHBondContact O-N 2.86Å; N52-S54 PolarHBondContact O-N 2.98Å; N52-D55 PolarHBondContact O-N 3.36Å; N52-L58 HydrophobicContact CB-CB 4.23Å; N52-L58 HydrophobicContact CB-CD1 4.42Å; N52-L58 WeakPolarHBondContact OD1-CD1 3.3Å
53I72.6Confident67.4Low1 Ų173.9 Ų73.91%0.00541%0.406CS..Hα-helixtrans-62.9-32.7177.7-74.2177.7000112I49 K51 D55 F59 T204 K207 R208I49-I53 HydrophobicContact CD1-CD1 4.07Å; I49-I53 HydrophobicContact CG1-CD1 3.65Å; I49-I53 HydrophobicContact CG1-CG1 3.87Å; I49-I53 WeakPolarHBondContact O-CB 3.27Å; I49-I53 VanDerWaalsContact O-CG1 3.29Å; I49-I53 WeakPolarHBondContact O-CG1 3.46Å; I49-I53 PolarHBondContact O-N 2.96Å; K51-I53 PolarHBondContact O-N 3.15Å; I53-D55 VanDerWaalsContact C-N 3.34Å; I53-F59 HydrophobicContact CB-CD2 4.35Å; I53-F59 HydrophobicContact CG1-CD2 3.77Å; I53-F59 HydrophobicContact CG1-CE2 3.79Å; I53-T204 HydrophobicContact CG2-CG2 4.03Å; I53-K207 HydrophobicContact CG2-CB 3.69Å; I53-K207 HydrophobicContact CG2-CD 4.05Å; I53-K207 VanDerWaalsContact O-CD 3.31Å; I53-K207 WeakPolarHBondContact O-CD 3.21Å; I53-K207 PolarHBondContact O-NZ 3.37Å; I53-R208 HydrophobicContact CD1-CB 4.33Å; I53-R208 HydrophobicContact CD1-CG 3.46Å; I53-R208 VanDerWaalsContact CD1-CG 3.46Å; I53-R208 HydrophobicContact CG2-CG 4.46Å
54S68.3Low69.9Low79 Ų7967.4 Ų67.455%0.55237%0.372SS*.Hα-helixtrans-81.2-13.3179.9-64.70000113.7K51 N52K51-S54 PolarHBondContact O-N 2.88Å; N52-S54 PolarHBondContact O-N 2.98Å
55D74.8Confident72.3Confident65 Ų6560 Ų6035%0.34833%0.332SS..  trans-100.4109.4178-173.3-19.8000110K51 N52 I53 K57 L58 F59K51-D55 PolarHBondContact O-N 2.76Å; N52-D55 PolarHBondContact O-N 3.36Å; I53-D55 VanDerWaalsContact C-N 3.34Å; D55-K57 PolarHBondContact O-N 3.36Å; D55-K57 VanDerWaalsContact O-N 3.11Å; D55-K57 VanDerWaalsContact OD1-CB 3.26Å; D55-K57 WeakPolarHBondContact OD1-CB 3.24Å; D55-K57 PolarHBondContact OD1-N 3.14Å; D55-L58 HydrophobicContact CB-CB 4.03Å; D55-L58 HydrophobicContact CB-CD1 3.85Å; D55-L58 HydrophobicContact CB-CG 3.95Å; D55-L58 PolarHBondContact O-N 3.36Å; D55-F59 PolarHBondContact O-N 3Å
56D70.1Confident74.8Confident118 Ų11855 Ų5563%0.63131%0.305SS*.THydrogen-bonded Turntrans-60.6-20.5179.4-68-27000113.3K207D56-K207 IonicContact OD1-NZ 3.96Å; D56-K207 PolarHBondContact OD1-NZ 3.19Å
57K71.1Confident77.4Confident187 Ų18751.5 Ų51.581%0.81327%0.268SS*.THydrogen-bonded Turntrans-76.7-29.8172.8-61-178177.7178.90112.2D55D55-K57 PolarHBondContact O-N 3.36Å; D55-K57 VanDerWaalsContact O-N 3.11Å; D55-K57 VanDerWaalsContact OD1-CB 3.26Å; D55-K57 WeakPolarHBondContact OD1-CB 3.24Å; D55-K57 PolarHBondContact OD1-N 3.14Å
58L70.2Confident79.5Confident71 Ų7146.4 Ų46.437%0.37225%0.246SC..THydrogen-bonded Turntrans-91.8-28.2-178.9-61.8176.8000112.2N34 N52 D55N34-L58 PolarHBondContact ND2-O 2.88Å; N52-L58 HydrophobicContact CB-CB 4.23Å; N52-L58 HydrophobicContact CB-CD1 4.42Å; N52-L58 WeakPolarHBondContact OD1-CD1 3.3Å; D55-L58 HydrophobicContact CB-CB 4.03Å; D55-L58 HydrophobicContact CB-CD1 3.85Å; D55-L58 HydrophobicContact CB-CG 3.95Å; D55-L58 PolarHBondContact O-N 3.36Å
59F80.4Confident81.2Confident7 Ų742.8 Ų42.83%0.03123%0.226CC..  trans-10372.5178.2-156.8-88.9000112I53 D55 L64 M201 K207 H211I53-F59 HydrophobicContact CB-CD2 4.35Å; I53-F59 HydrophobicContact CG1-CD2 3.77Å; I53-F59 HydrophobicContact CG1-CE2 3.79Å; D55-F59 PolarHBondContact O-N 3Å; F59-L64 HydrophobicContact CD1-CD1 4.24Å; F59-L64 HydrophobicContact CD2-CD1 4.02Å; F59-L64 HydrophobicContact CE1-CD1 3.86Å; F59-L64 HydrophobicContact CE2-CD1 3.64Å; F59-L64 HydrophobicContact CG-CD1 4.31Å; F59-L64 HydrophobicContact CZ-CD1 3.54Å; F59-M201 HydrophobicContact CD1-CE 3.88Å; F59-M201 HydrophobicContact CD1-SD 3.82Å; F59-M201 HydrophobicContact CE1-CE 4.25Å; F59-M201 HydrophobicContact CE1-SD 3.55Å; F59-M201 VanDerWaalsContact CE1-SD 3.55Å; F59-K207 HydrophobicContact CD1-CB 4.21Å; F59-K207 HydrophobicContact CD1-CD 3.96Å; F59-K207 HydrophobicContact CD1-CG 3.97Å; F59-K207 HydrophobicContact CE1-CB 3.77Å; F59-K207 HydrophobicContact CE1-CD 4.34Å; F59-K207 HydrophobicContact CE1-CG 3.84Å; F59-K207 HydrophobicContact CG-CD 4.43Å; F59-K207 HydrophobicContact CZ-CB 3.97Å; F59-K207 WeakPolarHBondContact CZ-O 3.43Å; F59-H211 HydrophobicContact CE2-CB 3.91Å; F59-H211 AromaticContact CE2-CD2 3.92Å; F59-H211 HydrophobicContact CZ-CB 3.99Å
60N85.6Confident82.6Confident52 Ų5243.1 Ų43.128%0.27823%0.227SC..  trans-99.8119.7175-177.8-29.5000110.7T62 S63 L64N60-T62 VanDerWaalsContact C-N 3.32Å; N60-T62 PolarHBondContact O-N 3Å; N60-T62 WeakPolarHBondContact OD1-CA 3.15Å; N60-T62 VanDerWaalsContact OD1-CB 3.26Å; N60-T62 WeakPolarHBondContact OD1-CB 3.48Å; N60-T62 PolarHBondContact OD1-N 3.34Å; N60-S63 PolarHBondContact O-N 3.02Å; N60-S63 VanDerWaalsContact O-N 3.12Å; N60-L64 WeakPolarHBondContact O-CG 3.4Å; N60-L64 PolarHBondContact O-N 2.92Å
61L90.7Very high83.9Confident3 Ų341.4 Ų41.42%0.01621%0.214CC..Hα-helixtrans-60-39-178.7-172.261.7000112.5S63 L64 I65 I77 V158 I159 H197 I214L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 2.93Å; L61-I65 HydrophobicContact CD1-CG2 4.2Å; L61-I65 HydrophobicContact CG-CG2 4.45Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG2 3.46Å; L61-I65 PolarHBondContact O-N 3.39Å; L61-I77 HydrophobicContact CD2-CD1 3.74Å; L61-I77 HydrophobicContact CG-CD1 4.14Å; L61-V158 HydrophobicContact CD2-CB 4.47Å; L61-V158 HydrophobicContact CD2-CG1 4.03Å; L61-V158 HydrophobicContact CD2-CG2 3.64Å; L61-I159 HydrophobicContact CD2-CD1 4.2Å; L61-I159 HydrophobicContact CG-CD1 4.21Å; L61-H197 HydrophobicContact CD2-CB 4.06Å; L61-I214 HydrophobicContact CD1-CD1 3.68Å
62T93.2Very high84.9Confident1 Ų136.8 Ų36.81%0.00620%0.197CC..Hα-helixtrans-57.3-47.4174.7-620000111N60 L64 I65 L66 D160 V163 L164N60-T62 VanDerWaalsContact C-N 3.32Å; N60-T62 PolarHBondContact O-N 3Å; N60-T62 WeakPolarHBondContact OD1-CA 3.15Å; N60-T62 VanDerWaalsContact OD1-CB 3.26Å; N60-T62 WeakPolarHBondContact OD1-CB 3.48Å; N60-T62 PolarHBondContact OD1-N 3.34Å; T62-L64 VanDerWaalsContact C-N 3.34Å; T62-L64 PolarHBondContact O-N 3.37Å; T62-I65 WeakPolarHBondContact O-CG1 3.39Å; T62-I65 PolarHBondContact O-N 2.92Å; T62-L66 WeakPolarHBondContact O-CG 3.25Å; T62-L66 PolarHBondContact O-N 3.27Å; T62-D160 HydrophobicContact CG2-CB 4.5Å; T62-D160 PolarHBondContact OG1-N 2.61Å; T62-V163 HydrophobicContact CG2-CB 4.23Å; T62-V163 HydrophobicContact CG2-CG1 3.99Å; T62-L164 HydrophobicContact CG2-CB 3.89Å; T62-L164 HydrophobicContact CG2-CD1 4.3Å
63S91.1Very high85.8Confident51 Ų5136 Ų3636%0.35719%0.193SC..Hα-helixtrans-65-38.2179.3-58.20000112.1N60 L61 P67N60-S63 PolarHBondContact O-N 3.02Å; N60-S63 VanDerWaalsContact O-N 3.12Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.11Å; S63-P67 WeakPolarHBondContact O-CD 3.44Å
64L91.7Very high86.6Confident5 Ų541.1 Ų41.13%0.02621%0.212CC..Hα-helixtrans-70.5-30.4179.9-68.7172.8000113.3F33 F59 N60 L61 T62 I214F33-L64 HydrophobicContact CB-CD2 4.04Å; F33-L64 HydrophobicContact CD1-CD2 4.26Å; F33-L64 WeakPolarHBondContact CD1-O 3.31Å; F33-L64 WeakPolarHBondContact CE1-O 3.32Å; F59-L64 HydrophobicContact CD1-CD1 4.24Å; F59-L64 HydrophobicContact CD2-CD1 4.02Å; F59-L64 HydrophobicContact CE1-CD1 3.86Å; F59-L64 HydrophobicContact CE2-CD1 3.64Å; F59-L64 HydrophobicContact CG-CD1 4.31Å; F59-L64 HydrophobicContact CZ-CD1 3.54Å; N60-L64 WeakPolarHBondContact O-CG 3.4Å; N60-L64 PolarHBondContact O-N 2.92Å; L61-L64 PolarHBondContact O-N 2.93Å; T62-L64 VanDerWaalsContact C-N 3.34Å; T62-L64 PolarHBondContact O-N 3.37Å; L64-I214 HydrophobicContact CB-CD1 3.75Å; L64-I214 HydrophobicContact CB-CG2 4.44Å; L64-I214 HydrophobicContact CD1-CD1 4.38Å; L64-I214 WeakPolarHBondContact O-CG2 3.49Å
65I93.8Very high87.7Confident1 Ų137.6 Ų37.61%0.00519%0.187CC..Hα-helixtrans-85.9-19179.167.7172.4000113.6L61 T62 L68 I69 T75 I77 F78 I159 L164 I214L61-I65 HydrophobicContact CD1-CG2 4.2Å; L61-I65 HydrophobicContact CG-CG2 4.45Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG2 3.46Å; L61-I65 PolarHBondContact O-N 3.39Å; T62-I65 WeakPolarHBondContact O-CG1 3.39Å; T62-I65 PolarHBondContact O-N 2.92Å; I65-L68 WeakPolarHBondContact O-CB 3.47Å; I65-L68 PolarHBondContact O-N 2.87Å; I65-I69 HydrophobicContact CD1-CD1 4.22Å; I65-I69 HydrophobicContact CG1-CD1 4.26Å; I65-I69 PolarHBondContact O-N 2.8Å; I65-T75 HydrophobicContact CB-CG2 3.93Å; I65-T75 HydrophobicContact CD1-CG2 4.32Å; I65-T75 HydrophobicContact CG1-CG2 4.49Å; I65-I77 HydrophobicContact CD1-CD1 4.27Å; I65-I77 HydrophobicContact CG2-CD1 4.25Å; I65-F78 HydrophobicContact CD1-CE1 4.08Å; I65-F78 HydrophobicContact CD1-CZ 3.98Å; I65-I159 HydrophobicContact CD1-CD1 3.67Å; I65-L164 HydrophobicContact CD1-CD1 3.96Å; I65-L164 HydrophobicContact CG1-CD1 4.48Å; I65-I214 HydrophobicContact CG2-CD1 4.08Å; I65-I214 HydrophobicContact CG2-CG1 4.48Å
66L94.7Very high88.3Confident21 Ų2135 Ų3511%0.1117%0.174CC..Hα-helixtrans-53-44.9-178.9-84.7172.5000112.9T62 L68 I69 F70 I168T62-L66 WeakPolarHBondContact O-CG 3.25Å; T62-L66 PolarHBondContact O-N 3.27Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 2.78Å; L66-I69 PolarHBondContact O-N 3.3Å; L66-F70 HydrophobicContact CB-CE2 4.44Å; L66-F70 HydrophobicContact CD2-CE2 4.25Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L66-F70 PolarHBondContact O-N 3.24Å; L66-I168 HydrophobicContact CD2-CG1 4.35Å
67P95.5Very high89.2Confident8 Ų829.4 Ų29.45%0.05214%0.144CC..Hα-helixtrans-56.4-40.4175.7-27.535.2000113.7L32 F33 S63 F70 Q71 F218 Y348L32-P67 HydrophobicContact CB-CB 4.4Å; L32-P67 HydrophobicContact CB-CG 4.12Å; L32-P67 HydrophobicContact CD1-CB 4.31Å; L32-P67 HydrophobicContact CD2-CG 4.42Å; F33-P67 HydrophobicContact CD1-CG 4.43Å; F33-P67 HydrophobicContact CE1-CB 3.9Å; F33-P67 HydrophobicContact CE1-CG 3.87Å; F33-P67 HydrophobicContact CZ-CB 3.87Å; F33-P67 HydrophobicContact CZ-CG 4.26Å; S63-P67 WeakPolarHBondContact O-CD 3.44Å; P67-F70 PolarHBondContact O-N 3.48Å; P67-Q71 WeakPolarHBondContact O-CG 3.47Å; P67-Q71 PolarHBondContact O-N 2.71Å; P67-Q71 VanDerWaalsContact O-N 3.11Å; P67-F218 HydrophobicContact CB-CD2 4.32Å; P67-F218 HydrophobicContact CB-CE2 4.28Å; P67-Y348 WeakPolarHBondContact CA-OH 3.43Å; P67-Y348 HydrophobicContact CB-CE2 4.32Å; P67-Y348 WeakPolarHBondContact O-CE2 3.48Å
68L94.7Very high90.2Very high1 Ų120.5 Ų20.51%0.00511%0.106CC..Hα-helixtrans-69.5-39.7178.3-72.682000111.8F33 I65 L66 F70 Q71 N72 R74 T75 I214 N217 F218F33-L68 HydrophobicContact CE1-CD1 3.64Å; F33-L68 HydrophobicContact CZ-CD1 3.86Å; I65-L68 WeakPolarHBondContact O-CB 3.47Å; I65-L68 PolarHBondContact O-N 2.87Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 2.78Å; L68-F70 VanDerWaalsContact C-N 3.27Å; L68-F70 PolarHBondContact O-N 3.41Å; L68-Q71 PolarHBondContact O-N 2.74Å; L68-Q71 VanDerWaalsContact O-N 3.15Å; L68-N72 PolarHBondContact O-N 3.09Å; L68-R74 CarbonylContact C-O 3.52Å; L68-R74 WeakPolarHBondContact CB-O 3.41Å; L68-T75 HydrophobicContact CB-CG2 4.3Å; L68-I214 HydrophobicContact CD1-CG2 3.52Å; L68-N217 HydrophobicContact CD2-CB 3.45Å; L68-N217 VanDerWaalsContact CD2-CB 3.45Å; L68-F218 HydrophobicContact CD1-CB 4.17Å; L68-F218 HydrophobicContact CG-CB 4.19Å
69I94.4Very high91.2Very high1 Ų118 Ų181%0.0059%0.094CC..Hα-helixtrans-57.6-46.7172.8-63.5175.1000109.1I65 L66 Q71 N72 G73 T75 F78 L164 I168 L355I65-I69 HydrophobicContact CD1-CD1 4.22Å; I65-I69 HydrophobicContact CG1-CD1 4.26Å; I65-I69 PolarHBondContact O-N 2.8Å; L66-I69 PolarHBondContact O-N 3.3Å; I69-Q71 VanDerWaalsContact C-N 3.29Å; I69-Q71 PolarHBondContact O-N 3.01Å; I69-N72 PolarHBondContact O-N 3.18Å; I69-G73 WeakPolarHBondContact O-CA 3.39Å; I69-G73 PolarHBondContact O-N 3.04Å; I69-T75 HydrophobicContact CD1-CG2 4.09Å; I69-T75 HydrophobicContact CG1-CG2 3.39Å; I69-F78 HydrophobicContact CD1-CE2 4.16Å; I69-F78 HydrophobicContact CD1-CZ 4.24Å; I69-L164 HydrophobicContact CD1-CD1 3.52Å; I69-L164 HydrophobicContact CD1-CD2 4.44Å; I69-L164 HydrophobicContact CD1-CG 4.13Å; I69-I168 HydrophobicContact CG2-CD1 3.77Å; I69-I168 HydrophobicContact CG2-CG1 4.38Å; I69-L355 WeakPolarHBondContact O-CD2 3.43Å
70F95.3Very high91.7Very high16 Ų1617.7 Ų17.77%0.079%0.093CC..Hα-helixtrans-65.3-25.9178.8-75-56.7000114.2L66 P67 L68 I168 E171 Y348 K352 L356L66-F70 HydrophobicContact CB-CE2 4.44Å; L66-F70 HydrophobicContact CD2-CE2 4.25Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L66-F70 PolarHBondContact O-N 3.24Å; P67-F70 PolarHBondContact O-N 3.48Å; L68-F70 VanDerWaalsContact C-N 3.27Å; L68-F70 PolarHBondContact O-N 3.41Å; F70-I168 HydrophobicContact CE1-CG1 4.39Å; F70-I168 HydrophobicContact CZ-CG1 4.33Å; F70-E171 HydrophobicContact CE1-CG 4.21Å; F70-E171 HydrophobicContact CZ-CG 4.06Å; F70-Y348 HydrophobicContact CB-CE2 4.47Å; F70-K352 HydrophobicContact CB-CB 4.13Å; F70-K352 HydrophobicContact CB-CD 4.47Å; F70-K352 HydrophobicContact CB-CG 3.94Å; F70-K352 HydrophobicContact CD1-CD 4.38Å; F70-K352 HydrophobicContact CD1-CG 3.86Å; F70-K352 HydrophobicContact CG-CD 4.29Å; F70-K352 HydrophobicContact CG-CG 4Å; F70-K352 WeakPolarHBondContact O-CA 3.21Å; F70-K352 PolarHBondContact O-N 2.77Å; F70-L356 HydrophobicContact CE1-CD2 4.19Å
71Q92.1Very high92Very high12 Ų1218.4 Ų18.46%0.05610%0.096CC..Hα-helixtrans-66.9-45.9176.8-69.9-178.7-5600113.2P67 L68 I69 F218 N221 Y348P67-Q71 WeakPolarHBondContact O-CG 3.47Å; P67-Q71 PolarHBondContact O-N 2.71Å; P67-Q71 VanDerWaalsContact O-N 3.11Å; L68-Q71 PolarHBondContact O-N 2.74Å; L68-Q71 VanDerWaalsContact O-N 3.15Å; I69-Q71 VanDerWaalsContact C-N 3.29Å; I69-Q71 PolarHBondContact O-N 3.01Å; Q71-F218 VanDerWaalsContact CD-CE2 3.41Å; Q71-F218 HydrophobicContact CG-CD2 4.08Å; Q71-F218 HydrophobicContact CG-CE2 3.9Å; Q71-F218 PolarHBondContact NE2-O 3.47Å; Q71-F218 VanDerWaalsContact OE1-CD2 3.23Å; Q71-F218 PolarHBondContact OE1-O 3.05Å; Q71-N221 HydrophobicContact CB-CB 4.49Å; Q71-N221 VanDerWaalsContact OE1-CB 3.31Å; Q71-N221 PolarHBondContact OE1-ND2 2.98Å; Q71-N221 VanDerWaalsContact OE1-ND2 3.12Å; Q71-Y348 HydrophobicContact CG-CD2 3.97Å; Q71-Y348 HydrophobicContact CG-CE2 3.96Å
72N88.9Confident91.8Very high54 Ų5418.7 Ų18.729%0.28910%0.098SC..Hα-helixtrans-160.211.8-170.56317.2000115L68 I69 R74 N221L68-N72 PolarHBondContact O-N 3.09Å; I69-N72 PolarHBondContact O-N 3.18Å; N72-R74 VanDerWaalsContact OD1-CB 3.26Å; N72-R74 WeakPolarHBondContact OD1-CB 3.29Å; N72-R74 PolarHBondContact OD1-N 3.3Å; N72-N221 PolarHBondContact ND2-ND2 2.99Å; N72-N221 PolarHBondContact ND2-OD1 2.93Å
73G91.7Very high91.3Very high3 Ų321 Ų213%0.03111%0.112CC..SBendtrans71.523.3-177.100000113.7I69 S79 F80I69-G73 WeakPolarHBondContact O-CA 3.39Å; I69-G73 PolarHBondContact O-N 3.04Å; G73-S79 CarbonylContact O-C 3.59Å; G73-S79 WeakPolarHBondContact O-CA 3.15Å; G73-S79 WeakPolarHBondContact O-CB 3.34Å; G73-F80 PolarHBondContact O-N 3.21Å
74R90.4Very high90.3Very high108 Ų10826.1 Ų26.141%0.40812%0.124SC..BIsolated β-bridgetrans-131.1142.5-177.2-54.2177176.5178.2-0.1112.1L68 N72 Y93L68-R74 CarbonylContact C-O 3.52Å; L68-R74 WeakPolarHBondContact CB-O 3.41Å; N72-R74 VanDerWaalsContact OD1-CB 3.26Å; N72-R74 WeakPolarHBondContact OD1-CB 3.29Å; N72-R74 PolarHBondContact OD1-N 3.3Å; R74-Y93 HydrophobicContact CB-CD1 4.17Å; R74-Y93 HydrophobicContact CB-CG 4.21Å; R74-Y93 HydrophobicContact CG-CD2 4.4Å; R74-Y93 HydrophobicContact CG-CG 4.4Å; R74-Y93 VanDerWaalsContact NH1-CE2 3.28Å
75T91.2Very high88.7Confident4 Ų429.5 Ų29.53%0.02515%0.148CC..  trans-135.2179.3176.9730000109.7I65 L68 I69 I77 F78I65-T75 HydrophobicContact CB-CG2 3.93Å; I65-T75 HydrophobicContact CD1-CG2 4.32Å; I65-T75 HydrophobicContact CG1-CG2 4.49Å; L68-T75 HydrophobicContact CB-CG2 4.3Å; I69-T75 HydrophobicContact CD1-CG2 4.09Å; I69-T75 HydrophobicContact CG1-CG2 3.39Å; T75-I77 PolarHBondContact O-N 3.49Å; T75-I77 PolarHBondContact OG1-N 3.45Å; T75-I77 VanDerWaalsContact OG1-N 3.09Å; T75-F78 WeakPolarHBondContact CB-O 3.32Å; T75-F78 PolarHBondContact N-O 3.27Å; T75-F78 PolarHBondContact OG1-N 2.89Å; T75-F78 PolarHBondContact OG1-O 3.26Å
76S86.5Confident86.7Confident10 Ų1039.7 Ų39.77%0.0719%0.186CC..SBendtrans-70.8-14.1169.551.30000113.9H197S76-H197 PolarHBondContact OG-NE2 3.43Å; S76-H197 VanDerWaalsContact OG-NE2 3.11Å
77I90.7Very high84.3Confident2 Ų240 Ų401%0.0119%0.188CC..SBendtrans-98.8-50.6-175.1-50.6171.6000109.8L61 I65 T75 I159 L190 V193 C194 H197L61-I77 HydrophobicContact CD2-CD1 3.74Å; L61-I77 HydrophobicContact CG-CD1 4.14Å; I65-I77 HydrophobicContact CD1-CD1 4.27Å; I65-I77 HydrophobicContact CG2-CD1 4.25Å; T75-I77 PolarHBondContact O-N 3.49Å; T75-I77 PolarHBondContact OG1-N 3.45Å; T75-I77 VanDerWaalsContact OG1-N 3.09Å; I77-I159 HydrophobicContact CD1-CD1 3.75Å; I77-I159 HydrophobicContact CD1-CG1 4.39Å; I77-L190 HydrophobicContact CG2-CD1 4.19Å; I77-V193 HydrophobicContact CB-CG1 4.44Å; I77-V193 HydrophobicContact CG2-CG1 4.12Å; I77-C194 VanDerWaalsContact CG2-SG 3.59Å; I77-H197 WeakPolarHBondContact CG1-NE2 3.43Å
78F91.7Very high82.4Confident0 Ų039.8 Ų39.80%019%0.186CC..  trans-155.9167.6-178.859.5-93.7000111.9I65 I69 T75 F80 I90 N91 I159 W161 L164 L190I65-F78 HydrophobicContact CD1-CE1 4.08Å; I65-F78 HydrophobicContact CD1-CZ 3.98Å; I69-F78 HydrophobicContact CD1-CE2 4.16Å; I69-F78 HydrophobicContact CD1-CZ 4.24Å; T75-F78 WeakPolarHBondContact CB-O 3.32Å; T75-F78 PolarHBondContact N-O 3.27Å; T75-F78 PolarHBondContact OG1-N 2.89Å; T75-F78 PolarHBondContact OG1-O 3.26Å; F78-F80 HydrophobicContact CD2-CB 4.25Å; F78-F80 HydrophobicContact CE2-CB 4.08Å; F78-I90 HydrophobicContact CB-CG2 3.66Å; F78-I90 HydrophobicContact CD2-CG2 3.96Å; F78-I90 HydrophobicContact CG-CG2 3.91Å; F78-N91 CarbonylContact C-O 3.57Å; F78-I159 HydrophobicContact CE1-CG1 4.22Å; F78-W161 HydrophobicContact CD1-CH2 4.23Å; F78-W161 AromaticContact CE1-CH2 3.88Å; F78-W161 HydrophobicContact CE1-CH2 3.88Å; F78-W161 HydrophobicContact CE1-CZ3 4.19Å; F78-W161 HydrophobicContact CE2-CZ3 4.4Å; F78-W161 HydrophobicContact CZ-CH2 4.1Å; F78-W161 AromaticContact CZ-CZ3 3.95Å; F78-W161 HydrophobicContact CZ-CZ3 3.95Å; F78-L164 HydrophobicContact CZ-CD1 3.79Å; F78-L190 HydrophobicContact CB-CD1 4.05Å; F78-L190 HydrophobicContact CD1-CD1 4.25Å
79S90Very high80.3Confident17 Ų1740.1 Ų40.112%0.11919%0.189CC..EExtended strand (participates in β ladder)trans-106.6142.5162.963.50000110.2G73 I90 N91G73-S79 CarbonylContact O-C 3.59Å; G73-S79 WeakPolarHBondContact O-CA 3.15Å; G73-S79 WeakPolarHBondContact O-CB 3.34Å; S79-I90 CarbonylContact O-C 3.51Å; S79-I90 WeakPolarHBondContact O-CA 3.46Å; S79-N91 WeakPolarHBondContact CA-O 3.38Å; S79-N91 WeakPolarHBondContact CB-O 3.41Å; S79-N91 PolarHBondContact N-O 3.23Å; S79-N91 PolarHBondContact O-N 3.47Å; S79-N91 WeakPolarHBondContact OG-CB 3.46Å; S79-N91 PolarHBondContact OG-O 2.91Å
80F92.3Very high78.4Confident2 Ų240.1 Ų40.11%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-122.1124.9-176.3-179.6-84.3000108.8G73 F78 V82 K88 I90 L164 F165 I168 F169 F359G73-F80 PolarHBondContact O-N 3.21Å; F78-F80 HydrophobicContact CD2-CB 4.25Å; F78-F80 HydrophobicContact CE2-CB 4.08Å; F80-V82 HydrophobicContact CE1-CG2 4.38Å; F80-K88 HydrophobicContact CZ-CD 4.35Å; F80-I90 HydrophobicContact CD2-CG1 4.29Å; F80-L164 HydrophobicContact CD2-CD2 4.48Å; F80-F165 HydrophobicContact CE2-CE1 4.16Å; F80-F165 AromaticContact CE2-CE2 3.9Å; F80-F165 HydrophobicContact CE2-CE2 3.9Å; F80-F165 AromaticContact CE2-CZ 3.7Å; F80-F165 HydrophobicContact CE2-CZ 3.7Å; F80-F165 HydrophobicContact CZ-CZ 4.5Å; F80-I168 HydrophobicContact CD1-CD1 4.27Å; F80-I168 HydrophobicContact CE1-CD1 4.14Å; F80-I168 HydrophobicContact CE1-CG2 4.36Å; F80-I168 HydrophobicContact CZ-CD1 4.35Å; F80-F169 AromaticContact CZ-CE2 3.91Å; F80-F169 HydrophobicContact CZ-CE2 3.91Å; F80-F169 HydrophobicContact CZ-CZ 4.06Å; F80-F359 AromaticContact CD1-CE2 3.82Å; F80-F359 HydrophobicContact CD1-CE2 3.82Å; F80-F359 AromaticContact CD1-CZ 3.79Å; F80-F359 HydrophobicContact CD1-CZ 3.79Å; F80-F359 AromaticContact CE1-CE2 3.76Å; F80-F359 HydrophobicContact CE1-CE2 3.76Å; F80-F359 HydrophobicContact CE1-CZ 4.09Å
81N90.4Very high76.3Confident67 Ų6742.2 Ų42.236%0.35820%0.201SC..EExtended strand (participates in β ladder)trans-142.7156.8178.4-161.16.5000111.9K88 S89 F359N81-K88 WeakPolarHBondContact O-CA 3.33Å; N81-S89 PolarHBondContact N-O 3.46Å; N81-S89 PolarHBondContact O-N 3Å; N81-F359 WeakPolarHBondContact OD1-CE1 3.13Å
82V87.6Confident74.1Confident8 Ų842.9 Ų42.95%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-107.5128171.7-175.30000108.4F80 F359 T362 L363F80-V82 HydrophobicContact CE1-CG2 4.38Å; V82-F359 HydrophobicContact CB-CD1 4.02Å; V82-F359 HydrophobicContact CB-CG 4.28Å; V82-F359 HydrophobicContact CG2-CB 4.16Å; V82-F359 HydrophobicContact CG2-CD1 3.86Å; V82-F359 HydrophobicContact CG2-CD2 4.04Å; V82-F359 HydrophobicContact CG2-CE1 4.24Å; V82-F359 HydrophobicContact CG2-CE2 4.39Å; V82-F359 HydrophobicContact CG2-CG 3.75Å; V82-F359 HydrophobicContact CG2-CZ 4.48Å; V82-T362 HydrophobicContact CB-CG2 4.48Å; V82-T362 HydrophobicContact CG1-CG2 3.88Å; V82-L363 HydrophobicContact CG1-CD2 3.79Å; V82-L363 HydrophobicContact CG1-CG 4.01Å
83V82.7Confident72.1Confident51 Ų5142.8 Ų42.831%0.30920%0.2SC..EExtended strand (participates in β ladder)trans-125.5151.7-174.8-62.10000112.8S85 N87V83-S85 PolarHBondContact O-N 3.2Å; V83-N87 HydrophobicContact CG2-CB 3.81Å; V83-N87 WeakPolarHBondContact CG2-O 3.42Å; V83-N87 PolarHBondContact N-O 3.47Å; V83-N87 VanDerWaalsContact O-O 3.1Å
84R69.9Low69.7Low158 Ų15846.7 Ų46.760%0.59622%0.219SC*.THydrogen-bonded Turntrans-70.485-178.9-73.4-171.5173.7167.5-4.2111.3T362 D367R84-T362 HydrophobicContact CG-CG2 3.88Å; R84-D367 IonicContact CZ-OD1 3.1Å; R84-D367 IonicContact NH1-OD1 3.64Å; R84-D367 PolarHBondContact NH1-OD1 3.27Å; R84-D367 IonicContact NH2-OD1 3.63Å; R84-D367 PolarHBondContact NH2-OD1 2.92Å
85S58.1Low67.7Low76 Ų7642.6 Ų42.653%0.53120%0.204SC..THydrogen-bonded Turntrans-17941.8164.8171.50000111.6V83 N87V83-S85 PolarHBondContact O-N 3.2Å; S85-N87 WeakPolarHBondContact CB-ND2 3.46Å; S85-N87 WeakPolarHBondContact O-CB 3.43Å; S85-N87 PolarHBondContact O-N 3.32Å; S85-N87 PolarHBondContact O-ND2 3.22Å; S85-N87 PolarHBondContact O-OD1 3.29Å; S85-N87 PolarHBondContact OG-ND2 3.39Å
86R51.3Low65.5Low214 Ų21444.7 Ų44.781%0.80822%0.218SC*.THydrogen-bonded Turntrans45.927.9-167-68.6-169.7179.9178.11.4113.5K181R86-K181 PolarHBondContact O-N 3.47Å
87N45Very low63.5Low29 Ų2944.9 Ų44.916%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-120.8130.5-169.5-71.3-15.9000108.3V83 S85 K181 I183V83-N87 HydrophobicContact CG2-CB 3.81Å; V83-N87 WeakPolarHBondContact CG2-O 3.42Å; V83-N87 PolarHBondContact N-O 3.47Å; V83-N87 VanDerWaalsContact O-O 3.1Å; S85-N87 WeakPolarHBondContact CB-ND2 3.46Å; S85-N87 WeakPolarHBondContact O-CB 3.43Å; S85-N87 PolarHBondContact O-N 3.32Å; S85-N87 PolarHBondContact O-ND2 3.22Å; S85-N87 PolarHBondContact O-OD1 3.29Å; S85-N87 PolarHBondContact OG-ND2 3.39Å; N87-K181 WeakPolarHBondContact CA-O 3.41Å; N87-I183 HydrophobicContact CB-CD1 3.62Å; N87-I183 HydrophobicContact CB-CG1 4.15Å; N87-I183 WeakPolarHBondContact ND2-CD1 3.37Å
88K54.6Low61.4Low2 Ų252.7 Ų52.71%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-94.2142.9162.2-62.3174.9-175.4175.60107.4F80 N81 F165 F169 Y177 L180 K181 I182 I183F80-K88 HydrophobicContact CZ-CD 4.35Å; N81-K88 WeakPolarHBondContact O-CA 3.33Å; K88-F165 HydrophobicContact CD-CE1 3.68Å; K88-F165 HydrophobicContact CD-CZ 4.4Å; K88-F165 VanDerWaalsContact NZ-CE1 3.34Å; K88-F169 HydrophobicContact CD-CE2 4.41Å; K88-F169 HydrophobicContact CD-CZ 4.07Å; K88-Y177 PolarHBondContact NZ-O 2.93Å; K88-L180 HydrophobicContact CD-CB 4.28Å; K88-L180 HydrophobicContact CD-CD1 4.45Å; K88-L180 VanDerWaalsContact CE-CB 3.5Å; K88-L180 HydrophobicContact CG-CB 4.47Å; K88-K181 PolarHBondContact N-O 2.72Å; K88-I182 HydrophobicContact CD-CG1 4.48Å; K88-I183 WeakPolarHBondContact O-CA 3.22Å; K88-I183 VanDerWaalsContact O-CB 3.24Å; K88-I183 WeakPolarHBondContact O-CB 3.44Å; K88-I183 PolarHBondContact O-N 2.88Å
89S52.2Low59.2Low8 Ų857.8 Ų57.86%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-117127.1174.858.90000109.9N81 I183N81-S89 PolarHBondContact N-O 3.46Å; N81-S89 PolarHBondContact O-N 3Å; S89-I183 CarbonylContact C-O 3.59Å; S89-I183 WeakPolarHBondContact CA-O 3.44Å
90I53.9Low57.4Low2 Ų258.8 Ų58.81%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-107.3113.2168.1-59.9176.5000106.9F78 S79 F80 L152 W161 I182 I183 Y185 L190F78-I90 HydrophobicContact CB-CG2 3.66Å; F78-I90 HydrophobicContact CD2-CG2 3.96Å; F78-I90 HydrophobicContact CG-CG2 3.91Å; S79-I90 CarbonylContact O-C 3.51Å; S79-I90 WeakPolarHBondContact O-CA 3.46Å; F80-I90 HydrophobicContact CD2-CG1 4.29Å; I90-L152 HydrophobicContact CD1-CD2 4.32Å; I90-W161 HydrophobicContact CD1-CH2 4Å; I90-W161 HydrophobicContact CD1-CZ3 3.89Å; I90-I182 HydrophobicContact CD1-CG2 3.89Å; I90-I182 HydrophobicContact CG1-CG2 4.37Å; I90-I183 PolarHBondContact N-O 3.39Å; I90-Y185 PolarHBondContact O-N 3.01Å; I90-L190 HydrophobicContact CG2-CD2 4.31Å
91N50.4Low55.6Low59 Ų5968.5 Ų68.532%0.31635%0.346SS..EExtended strand (participates in β ladder)trans-116.1147178.8-52.7-1.3000109.4F78 S79 Y185F78-N91 CarbonylContact C-O 3.57Å; S79-N91 WeakPolarHBondContact CA-O 3.38Å; S79-N91 WeakPolarHBondContact CB-O 3.41Å; S79-N91 PolarHBondContact N-O 3.23Å; S79-N91 PolarHBondContact O-N 3.47Å; S79-N91 WeakPolarHBondContact OG-CB 3.46Å; S79-N91 PolarHBondContact OG-O 2.91Å; N91-Y185 WeakPolarHBondContact OD1-CD2 3.16Å; N91-Y185 VanDerWaalsContact OD1-CE2 3.28Å; N91-Y185 WeakPolarHBondContact OD1-CE2 3.31Å
92Q45.7Very low54.6Low27 Ų2766.6 Ų66.613%0.12634%0.343CS..  trans-64.5143.1166.8-80.1135.33900111.1I138 N186 S189Q92-I138 HydrophobicContact CB-CD1 4.11Å; Q92-I138 HydrophobicContact CB-CG1 4.24Å; Q92-I138 HydrophobicContact CB-CG2 4.23Å; Q92-I138 HydrophobicContact CG-CD1 4.4Å; Q92-I138 HydrophobicContact CG-CG1 4.2Å; Q92-N186 PolarHBondContact NE2-O 3.42Å; Q92-S189 VanDerWaalsContact CD-CB 3.41Å; Q92-S189 VanDerWaalsContact NE2-C 3.26Å
93Y48.5Very low53.8Low51 Ų5166.7 Ų66.720%0.234%0.343CS..  trans-113119.6172.4-175.2-113.7000109R74R74-Y93 HydrophobicContact CB-CD1 4.17Å; R74-Y93 HydrophobicContact CB-CG 4.21Å; R74-Y93 HydrophobicContact CG-CD2 4.4Å; R74-Y93 HydrophobicContact CG-CG 4.4Å; R74-Y93 VanDerWaalsContact NH1-CE2 3.28Å
94I40.6Very low53.4Low86 Ų8667.5 Ų67.544%0.44134%0.343SS..  trans-88117.5169.3-62.1171.7000106.6I138I94-I138 HydrophobicContact CD1-CB 4.31Å; I94-I138 HydrophobicContact CD1-CG2 3.78Å; I94-I138 HydrophobicContact CG1-CB 4.28Å; I94-I138 HydrophobicContact CG1-CD1 3.69Å; I94-I138 HydrophobicContact CG1-CG2 3.94Å
95Y49.5Very low53.8Low21 Ų2165 Ų658%0.08234%0.338CS..  trans-62.1136.2163.6-161.3-83.4000107.9V97 N217 Y220 F236Y95-V97 HydrophobicContact CD1-CG2 3.48Å; Y95-V97 VanDerWaalsContact CD1-CG2 3.48Å; Y95-V97 HydrophobicContact CE1-CG2 4.21Å; Y95-V97 HydrophobicContact CG-CG2 4.24Å; Y95-V97 PolarHBondContact O-N 2.92Å; Y95-N217 WeakPolarHBondContact CD2-OD1 3.49Å; Y95-N217 VanDerWaalsContact CE2-OD1 3.29Å; Y95-N217 WeakPolarHBondContact CE2-OD1 3.33Å; Y95-Y220 HydrophobicContact CD2-CD1 4.44Å; Y95-Y220 AromaticContact CE2-CD1 3.46Å; Y95-Y220 HydrophobicContact CE2-CD1 3.46Å; Y95-Y220 VanDerWaalsContact CE2-CD1 3.46Å; Y95-Y220 HydrophobicContact CE2-CD2 4.41Å; Y95-Y220 AromaticContact CE2-CE1 3.91Å; Y95-Y220 HydrophobicContact CE2-CE1 3.91Å; Y95-Y220 AromaticContact CE2-CG 3.73Å; Y95-Y220 HydrophobicContact CE2-CG 3.73Å; Y95-Y220 AromaticContact CZ-CD1 3.66Å; Y95-Y220 AromaticContact CZ-CD2 3.78Å; Y95-Y220 AromaticContact CZ-CE1 3.96Å; Y95-Y220 AromaticContact CZ-CG 3.54Å; Y95-Y220 WeakPolarHBondContact OH-CB 3.04Å; Y95-Y220 WeakPolarHBondContact OH-CD2 3.15Å; Y95-F236 AromaticContact CE1-CD2 3.53Å; Y95-F236 HydrophobicContact CE1-CD2 3.53Å; Y95-F236 AromaticContact CE1-CE2 3.84Å; Y95-F236 HydrophobicContact CE1-CE2 3.84Å; Y95-F236 HydrophobicContact CE1-CG 4.44Å; Y95-F236 AromaticContact CZ-CD2 3.94Å; Y95-F236 WeakPolarHBondContact OH-CD2 3.32Å; Y95-F236 WeakPolarHBondContact OH-CE2 3.43Å
96P44.6Very low54.6Low49 Ų4964.8 Ų64.832%0.31833%0.329SS..  trans-73.658.6177.132.5-34.9000110.3K98 Y220P96-K98 PolarHBondContact O-N 3.23Å; P96-Y220 WeakPolarHBondContact CG-OH 3.23Å
97V44.6Very low55.8Low13 Ų1354.7 Ų54.78%0.07929%0.291CS..  trans-72.887.8160-173.50000104.6Y95 S99 I103 Y131 K135Y95-V97 HydrophobicContact CD1-CG2 3.48Å; Y95-V97 VanDerWaalsContact CD1-CG2 3.48Å; Y95-V97 HydrophobicContact CE1-CG2 4.21Å; Y95-V97 HydrophobicContact CG-CG2 4.24Å; Y95-V97 PolarHBondContact O-N 2.92Å; V97-S99 PolarHBondContact O-N 2.96Å; V97-S99 VanDerWaalsContact O-N 3.15Å; V97-I103 HydrophobicContact CB-CD1 4.34Å; V97-I103 HydrophobicContact CG1-CD1 3.36Å; V97-I103 HydrophobicContact CG1-CG2 3.94Å; V97-Y131 HydrophobicContact CG2-CD2 4.21Å; V97-Y131 HydrophobicContact CG2-CG 4.08Å; V97-K135 PolarHBondContact O-NZ 2.7Å; V97-K135 VanDerWaalsContact O-NZ 3.08Å
98K46.5Very low57.6Low166 Ų16656.4 Ų56.472%0.72230%0.297SS*.  trans-50.7125.5163.4-78.6-173.5176.8-1790105.9P96 G100 I103P96-K98 PolarHBondContact O-N 3.23Å; K98-G100 PolarHBondContact O-N 3.5Å; K98-I103 WeakPolarHBondContact O-CD1 3.47Å
99S45.4Very low58.7Low108 Ų10861.2 Ų61.276%0.75532%0.318SS*.SBendtrans-62.598.2167.141.10000106.2V97V97-S99 PolarHBondContact O-N 2.96Å; V97-S99 VanDerWaalsContact O-N 3.15Å
100G52Low60Low38 Ų3861.8 Ų61.839%0.39232%0.32SS..  trans-152141.9-173.700000109.3K98K98-G100 PolarHBondContact O-N 3.5Å
101E55Low61.2Low205 Ų20561.7 Ų61.796%0.95832%0.319SS*.THydrogen-bonded Turntrans-54.2138.9172.6-71.8176.6155.900110.3
102G68.8Low62.5Low28 Ų2863.4 Ų63.429%0.28933%0.325SS..THydrogen-bonded Turntrans941.8173.700000116.8E105 Q106G102-E105 PolarHBondContact O-N 3.02Å; G102-Q106 VanDerWaalsContact O-CG 3.32Å; G102-Q106 WeakPolarHBondContact O-CG 3.46Å; G102-Q106 PolarHBondContact O-N 3.42Å
103I70.5Confident63.9Low10 Ų1064.1 Ų64.15%0.05133%0.33CS..Hα-helixtrans-67.4-42.2175.3-71.1-167.2000112.2V97 K98 E105 Q106 I107 F128 F236V97-I103 HydrophobicContact CB-CD1 4.34Å; V97-I103 HydrophobicContact CG1-CD1 3.36Å; V97-I103 HydrophobicContact CG1-CG2 3.94Å; K98-I103 WeakPolarHBondContact O-CD1 3.47Å; I103-E105 VanDerWaalsContact C-N 3.27Å; I103-E105 PolarHBondContact O-N 3.14Å; I103-Q106 WeakPolarHBondContact O-CB 3.13Å; I103-Q106 PolarHBondContact O-N 2.72Å; I103-I107 HydrophobicContact CG2-CD1 3.96Å; I103-I107 WeakPolarHBondContact O-CG1 3.25Å; I103-I107 PolarHBondContact O-N 2.93Å; I103-F128 HydrophobicContact CB-CD2 4.29Å; I103-F128 HydrophobicContact CB-CE2 4.28Å; I103-F128 HydrophobicContact CG2-CD2 3.88Å; I103-F128 HydrophobicContact CG2-CE2 4.25Å; I103-F236 HydrophobicContact CB-CD1 4.48Å; I103-F236 HydrophobicContact CB-CE1 4.33Å; I103-F236 HydrophobicContact CD1-CD1 4.31Å; I103-F236 HydrophobicContact CG1-CD1 4.11Å; I103-F236 HydrophobicContact CG1-CE1 4.45Å; I103-F236 HydrophobicContact CG2-CD1 4.07Å; I103-F236 HydrophobicContact CG2-CE1 3.62Å; I103-F236 HydrophobicContact CG2-CZ 4.43Å
104E75.2Confident65.2Low67 Ų6761.8 Ų61.831%0.31332%0.321SS..Hα-helixtrans-58.3-42.9173.2-172.1-173.5145.900110.9Q106 I107 F108 A124 K125E104-Q106 VanDerWaalsContact C-N 3.35Å; E104-Q106 PolarHBondContact O-N 3.47Å; E104-I107 PolarHBondContact O-N 2.98Å; E104-F108 WeakPolarHBondContact O-CB 3.32Å; E104-F108 PolarHBondContact O-N 3.42Å; E104-A124 HydrophobicContact CG-CB 4.2Å; E104-K125 HydrophobicContact CG-CG 4.32Å; E104-K125 WeakPolarHBondContact OE1-CE 3.4Å; E104-K125 WeakPolarHBondContact OE1-CG 3.3Å
105E76.7Confident66.7Low106 Ų10662.4 Ų62.450%0.49532%0.32SS..Hα-helixtrans-64.1-38.4176.1-166.2-169.515800112.1G102 I103 F108 K109G102-E105 PolarHBondContact O-N 3.02Å; I103-E105 VanDerWaalsContact C-N 3.27Å; I103-E105 PolarHBondContact O-N 3.14Å; E105-F108 PolarHBondContact O-N 3.26Å; E105-K109 WeakPolarHBondContact O-CG 3.41Å; E105-K109 PolarHBondContact O-N 3.15Å; E105-K109 WeakPolarHBondContact OE1-CE 3.27Å; E105-K109 IonicContact OE1-NZ 3.21Å; E105-K109 PolarHBondContact OE1-NZ 3.45Å
106Q75.1Confident67.6Low72 Ų7261.7 Ų61.734%0.33632%0.319SS..Hα-helixtrans-65.5-42.2174.1-74.6172.950.600111.8G102 I103 E104 F108 K109 F110 F236G102-Q106 VanDerWaalsContact O-CG 3.32Å; G102-Q106 WeakPolarHBondContact O-CG 3.46Å; G102-Q106 PolarHBondContact O-N 3.42Å; I103-Q106 WeakPolarHBondContact O-CB 3.13Å; I103-Q106 PolarHBondContact O-N 2.72Å; E104-Q106 VanDerWaalsContact C-N 3.35Å; E104-Q106 PolarHBondContact O-N 3.47Å; Q106-F108 VanDerWaalsContact C-N 3.32Å; Q106-K109 PolarHBondContact O-N 3.29Å; Q106-F110 VanDerWaalsContact O-CB 3.25Å; Q106-F110 WeakPolarHBondContact O-CB 3.37Å; Q106-F110 PolarHBondContact O-N 3.37Å; Q106-F236 HydrophobicContact CB-CD1 4.27Å; Q106-F236 HydrophobicContact CB-CE1 3.91Å; Q106-F236 VanDerWaalsContact OE1-CD1 3.25Å
107I78.3Confident68.5Low1 Ų166.5 Ų66.51%0.00534%0.337CS..Hα-helixtrans-61.8-44.1173.9-65.7160.1000109.7I103 E104 F110 L111 A124 V127 F128 I216 F236I103-I107 HydrophobicContact CG2-CD1 3.96Å; I103-I107 WeakPolarHBondContact O-CG1 3.25Å; I103-I107 PolarHBondContact O-N 2.93Å; E104-I107 PolarHBondContact O-N 2.98Å; I107-F110 WeakPolarHBondContact O-CB 3.23Å; I107-F110 PolarHBondContact O-N 3.42Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 HydrophobicContact CG2-CG 4.33Å; I107-L111 VanDerWaalsContact O-CG 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.33Å; I107-L111 PolarHBondContact O-N 2.76Å; I107-A124 HydrophobicContact CB-CB 4.26Å; I107-A124 HydrophobicContact CG2-CB 3.88Å; I107-V127 HydrophobicContact CD1-CB 4.36Å; I107-V127 HydrophobicContact CD1-CG1 3.68Å; I107-V127 HydrophobicContact CG1-CG1 4.28Å; I107-V127 HydrophobicContact CG2-CB 4.24Å; I107-V127 HydrophobicContact CG2-CG1 4.05Å; I107-F128 HydrophobicContact CD1-CB 4.3Å; I107-I216 HydrophobicContact CG2-CD1 4.01Å; I107-F236 HydrophobicContact CD1-CZ 4.42Å; I107-F236 HydrophobicContact CG1-CE1 4.03Å; I107-F236 HydrophobicContact CG1-CZ 3.72Å
108F81Confident69.5Low66 Ų6668.2 Ų68.229%0.28934%0.344SS..Hα-helixtrans-59.6-49.7177.5-178.1-87.6000112.2E104 E105 Q106 F110 L111 E112 K120 E121 A124E104-F108 WeakPolarHBondContact O-CB 3.32Å; E104-F108 PolarHBondContact O-N 3.42Å; E105-F108 PolarHBondContact O-N 3.26Å; Q106-F108 VanDerWaalsContact C-N 3.32Å; F108-F110 VanDerWaalsContact C-N 3.27Å; F108-F110 PolarHBondContact O-N 2.96Å; F108-L111 PolarHBondContact O-N 3.43Å; F108-E112 PolarHBondContact O-N 2.98Å; F108-K120 HydrophobicContact CD2-CB 3.81Å; F108-K120 HydrophobicContact CE2-CB 3.51Å; F108-K120 HydrophobicContact CZ-CB 4.3Å; F108-E121 HydrophobicContact CE2-CB 4.35Å; F108-A124 HydrophobicContact CB-CB 4.13Å
109K78.2Confident70.9Confident102 Ų10264.7 Ų64.744%0.44333%0.333SS..Hα-helixtrans-60.4-38.1176.1-74.3175.9-176.3167.60111.9E105 Q106 E112 N113E105-K109 WeakPolarHBondContact O-CG 3.41Å; E105-K109 PolarHBondContact O-N 3.15Å; E105-K109 WeakPolarHBondContact OE1-CE 3.27Å; E105-K109 IonicContact OE1-NZ 3.21Å; E105-K109 PolarHBondContact OE1-NZ 3.45Å; Q106-K109 PolarHBondContact O-N 3.29Å; K109-E112 PolarHBondContact O-N 3Å; K109-N113 WeakPolarHBondContact O-CB 3.39Å; K109-N113 PolarHBondContact O-N 2.93Å; K109-N113 PolarHBondContact O-ND2 2.99Å
110F78.8Confident72.5Confident20 Ų2062 Ų629%0.08831%0.308CS..Hα-helixtrans-62.8-47.3175.4-179-87.9000112.1Q106 I107 F108 E112 N113 L114 I216 L219 F233 F235Q106-F110 VanDerWaalsContact O-CB 3.25Å; Q106-F110 WeakPolarHBondContact O-CB 3.37Å; Q106-F110 PolarHBondContact O-N 3.37Å; I107-F110 WeakPolarHBondContact O-CB 3.23Å; I107-F110 PolarHBondContact O-N 3.42Å; F108-F110 VanDerWaalsContact C-N 3.27Å; F108-F110 PolarHBondContact O-N 2.96Å; F110-E112 VanDerWaalsContact C-N 3.3Å; F110-E112 PolarHBondContact O-N 3.14Å; F110-N113 PolarHBondContact O-N 3.02Å; F110-L114 HydrophobicContact CD1-CD1 3.95Å; F110-L114 HydrophobicContact CE1-CD1 3.3Å; F110-L114 HydrophobicContact CE1-CG 4.41Å; F110-L114 HydrophobicContact CE2-CD1 4.48Å; F110-L114 HydrophobicContact CZ-CD1 3.65Å; F110-L114 PolarHBondContact O-N 3.06Å; F110-L114 VanDerWaalsContact O-N 3.15Å; F110-I216 HydrophobicContact CD1-CG1 3.96Å; F110-I216 HydrophobicContact CE1-CB 4.45Å; F110-I216 HydrophobicContact CE1-CG1 3.61Å; F110-I216 HydrophobicContact CZ-CG1 4.38Å; F110-L219 HydrophobicContact CE1-CD1 4.15Å; F110-L219 HydrophobicContact CE2-CB 4.48Å; F110-L219 HydrophobicContact CE2-CD1 4.28Å; F110-L219 HydrophobicContact CZ-CB 3.96Å; F110-L219 HydrophobicContact CZ-CD1 3.42Å; F110-L219 VanDerWaalsContact CZ-CD1 3.42Å; F110-L219 HydrophobicContact CZ-CG 4.31Å; F110-F233 AromaticContact CD2-CD1 3.42Å; F110-F233 HydrophobicContact CD2-CD1 3.42Å; F110-F233 VanDerWaalsContact CD2-CD1 3.42Å; F110-F233 AromaticContact CD2-CE1 3.37Å; F110-F233 HydrophobicContact CD2-CE1 3.37Å; F110-F233 AromaticContact CE2-CD1 3.4Å; F110-F233 HydrophobicContact CE2-CD1 3.4Å; F110-F233 VanDerWaalsContact CE2-CD1 3.4Å; F110-F233 AromaticContact CE2-CE1 3.29Å; F110-F233 HydrophobicContact CE2-CE1 3.29Å; F110-F233 HydrophobicContact CG-CE1 4.19Å; F110-F233 HydrophobicContact CZ-CE1 4.09Å; F110-F235 HydrophobicContact CD2-CE1 4.34Å; F110-F235 HydrophobicContact CE2-CD1 4.46Å; F110-F235 AromaticContact CE2-CE1 3.59Å; F110-F235 HydrophobicContact CE2-CE1 3.59Å; F110-F235 HydrophobicContact CE2-CZ 4.02Å; F110-F235 HydrophobicContact CZ-CE1 4.37Å
111L79.6Confident74Confident0 Ų065.2 Ų65.20%031%0.313CS..Hα-helixtrans-61.8-38.9176.6-69.3175.1000111.8W36 I107 F108 L114 K115 A116 L123 A124 T212W36-L111 HydrophobicContact CH2-CD2 4.36Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 HydrophobicContact CG2-CG 4.33Å; I107-L111 VanDerWaalsContact O-CG 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.33Å; I107-L111 PolarHBondContact O-N 2.76Å; F108-L111 PolarHBondContact O-N 3.43Å; L111-L114 PolarHBondContact O-N 2.74Å; L111-K115 PolarHBondContact O-N 3.03Å; L111-A116 HydrophobicContact CB-CB 4.12Å; L111-A116 HydrophobicContact CD2-CB 4.33Å; L111-A116 WeakPolarHBondContact O-CB 3.4Å; L111-A116 PolarHBondContact O-N 3.19Å; L111-L123 HydrophobicContact CD1-CB 3.96Å; L111-A124 HydrophobicContact CD1-CB 4.33Å; L111-T212 HydrophobicContact CD2-CG2 3.72Å
112E79.1Confident75.4Confident96 Ų9660.4 Ų60.445%0.44929%0.29SS..Hα-helixtrans-62.6-44.9174178.8158.8-117.600112.3F108 K109 F110 L114 K115 K120F108-E112 PolarHBondContact O-N 2.98Å; K109-E112 PolarHBondContact O-N 3Å; F110-E112 VanDerWaalsContact C-N 3.3Å; F110-E112 PolarHBondContact O-N 3.14Å; E112-L114 VanDerWaalsContact C-N 3.25Å; E112-L114 PolarHBondContact O-N 3.24Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-K120 HydrophobicContact CB-CD 4.29Å; E112-K120 IonicContact OE1-NZ 3.32Å; E112-K120 PolarHBondContact OE1-NZ 3.27Å
113N74.7Confident76.2Confident41 Ų4159.5 Ų59.522%0.21928%0.279CS..Hα-helixtrans-63.4-29.4178.5-80.3-23000113.7K109 F110 K115 F233K109-N113 WeakPolarHBondContact O-CB 3.39Å; K109-N113 PolarHBondContact O-N 2.93Å; K109-N113 PolarHBondContact O-ND2 2.99Å; F110-N113 PolarHBondContact O-N 3.02Å; N113-K115 VanDerWaalsContact C-N 3.29Å; N113-F233 HydrophobicContact CB-CE1 4.27Å; N113-F233 HydrophobicContact CB-CZ 4.08Å
114L74.8Confident77Confident2 Ų259.1 Ų59.11%0.0128%0.277CS..THydrogen-bonded Turntrans-90.112.2174.7-67.6176.6000113.6I25 W36 F110 L111 E112 A116 L219 F233I25-L114 HydrophobicContact CG2-CD2 4.13Å; W36-L114 HydrophobicContact CH2-CD1 4.43Å; W36-L114 HydrophobicContact CZ2-CB 3.95Å; W36-L114 HydrophobicContact CZ2-CD1 3.81Å; W36-L114 PolarHBondContact NE1-O 2.86Å; F110-L114 HydrophobicContact CD1-CD1 3.95Å; F110-L114 HydrophobicContact CE1-CD1 3.3Å; F110-L114 HydrophobicContact CE1-CG 4.41Å; F110-L114 HydrophobicContact CE2-CD1 4.48Å; F110-L114 HydrophobicContact CZ-CD1 3.65Å; F110-L114 PolarHBondContact O-N 3.06Å; F110-L114 VanDerWaalsContact O-N 3.15Å; L111-L114 PolarHBondContact O-N 2.74Å; E112-L114 VanDerWaalsContact C-N 3.25Å; E112-L114 PolarHBondContact O-N 3.24Å; L114-A116 PolarHBondContact O-N 3.25Å; L114-L219 HydrophobicContact CD1-CD1 3.55Å; L114-L219 HydrophobicContact CD2-CD1 4.32Å; L114-F233 HydrophobicContact CD2-CE1 4.35Å; L114-F233 HydrophobicContact CD2-CZ 3.66Å; L114-F233 HydrophobicContact CG-CE1 4.19Å; L114-F233 HydrophobicContact CG-CZ 3.91Å
115K72.1Confident77.6Confident100 Ų10059.8 Ų59.844%0.43528%0.279SS..THydrogen-bonded Turntrans49.143.5-178.7-54.7-164.1-163.7169.60112.7S38 L40 L111 E112 N113 Q117S38-K115 WeakPolarHBondContact CB-O 3.44Å; S38-K115 PolarHBondContact OG-O 3.49Å; L40-K115 HydrophobicContact CD1-CB 4.34Å; L40-K115 HydrophobicContact CD1-CD 3.5Å; L40-K115 VanDerWaalsContact CD1-CD 3.5Å; L40-K115 HydrophobicContact CD1-CG 4.11Å; L40-K115 HydrophobicContact CG-CD 4.07Å; L111-K115 PolarHBondContact O-N 3.03Å; E112-K115 PolarHBondContact O-N 3.48Å; N113-K115 VanDerWaalsContact C-N 3.29Å; K115-Q117 PolarHBondContact O-N 3.12Å
116A69.1Low78.3Confident6 Ų655.3 Ų55.35%0.0526%0.261CS..  trans-65.7124170.100000109.1L37 L111 L114L37-A116 CarbonylContact O-C 3.57Å; L37-A116 VanDerWaalsContact O-CA 3.27Å; L37-A116 WeakPolarHBondContact O-CA 3.43Å; L111-A116 HydrophobicContact CB-CB 4.12Å; L111-A116 HydrophobicContact CD2-CB 4.33Å; L111-A116 WeakPolarHBondContact O-CB 3.4Å; L111-A116 PolarHBondContact O-N 3.19Å; L114-A116 PolarHBondContact O-N 3.25Å
117Q63Low78.9Confident149 Ų14951.9 Ų51.970%0.69625%0.245SC*.  trans-99.2-4.8-174.7-77-152.1-24.800115.3L37 P39 K115L37-Q117 PolarHBondContact O-N 3.12Å; P39-Q117 HydrophobicContact CG-CG 4.1Å; K115-Q117 PolarHBondContact O-N 3.12Å
118E66.3Low79.4Confident49 Ų4954.6 Ų54.623%0.22926%0.257CS..SBendtrans-77.4177.5173.2-69.6-160.917600112.2L37 K120 L123 R208L37-E118 VanDerWaalsContact CD2-CD 3.44Å; L37-E118 HydrophobicContact CD2-CG 3.97Å; L37-E118 WeakPolarHBondContact CD2-OE1 3.36Å; E118-K120 WeakPolarHBondContact O-CG 3.46Å; E118-K120 PolarHBondContact O-N 3.49Å; E118-L123 HydrophobicContact CB-CD1 3.79Å; E118-R208 IonicContact OE1-CZ 2.63Å; E118-R208 VanDerWaalsContact OE1-CZ 3.22Å; E118-R208 IonicContact OE1-NE 3.98Å; E118-R208 IonicContact OE1-NH1 3.22Å; E118-R208 PolarHBondContact OE1-NH1 3.46Å; E118-R208 VanDerWaalsContact OE1-NH1 3.1Å; E118-R208 IonicContact OE1-NH2 3.1Å; E118-R208 WeakPolarHBondContact OE2-CD 3.37Å; E118-R208 IonicContact OE2-CZ 3.36Å; E118-R208 IonicContact OE2-NE 3.74Å; E118-R208 IonicContact OE2-NH1 3.92Å; E118-R208 PolarHBondContact OE2-NH1 3.21Å
119N74.8Confident79.8Confident93 Ų9355.7 Ų55.750%0.49727%0.265SS..  trans-58.782.6177.9-168.65000111.2E121 E122 L123N119-E121 PolarHBondContact O-N 3.28Å; N119-E121 VanDerWaalsContact O-N 3.12Å; N119-E122 HydrophobicContact CB-CB 4.11Å; N119-E122 WeakPolarHBondContact ND2-CB 3.48Å; N119-E122 PolarHBondContact ND2-OE2 3.06Å; N119-E122 PolarHBondContact O-N 3.23Å; N119-E122 VanDerWaalsContact O-N 3.07Å; N119-L123 PolarHBondContact O-N 3.45Å
120K79.6Confident80.4Confident52 Ų5251.3 Ų51.323%0.22625%0.247CC..Hα-helixtrans-54.7-34.9-170.4-68-176.8-72.61740112.2F108 E112 E118 A124F108-K120 HydrophobicContact CD2-CB 3.81Å; F108-K120 HydrophobicContact CE2-CB 3.51Å; F108-K120 HydrophobicContact CZ-CB 4.3Å; E112-K120 HydrophobicContact CB-CD 4.29Å; E112-K120 IonicContact OE1-NZ 3.32Å; E112-K120 PolarHBondContact OE1-NZ 3.27Å; E118-K120 WeakPolarHBondContact O-CG 3.46Å; E118-K120 PolarHBondContact O-N 3.49Å; K120-A124 VanDerWaalsContact O-CB 3.22Å; K120-A124 WeakPolarHBondContact O-CB 3.16Å; K120-A124 PolarHBondContact O-N 3.02Å
121E83.3Confident80.8Confident104 Ų10450.8 Ų50.849%0.48624%0.244SC..Hα-helixtrans-68.7-47.2179.6-167.2-175.9156.200111.6F108 N119 L123 A124 K125F108-E121 HydrophobicContact CE2-CB 4.35Å; N119-E121 PolarHBondContact O-N 3.28Å; N119-E121 VanDerWaalsContact O-N 3.12Å; E121-L123 PolarHBondContact O-N 2.77Å; E121-A124 PolarHBondContact O-N 3.18Å; E121-K125 HydrophobicContact CG-CD 4.37Å; E121-K125 WeakPolarHBondContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CG 3.37Å; E121-K125 PolarHBondContact O-N 3.39Å; E121-K125 IonicContact OE1-NZ 3.18Å; E121-K125 PolarHBondContact OE1-NZ 3.08Å
122E85.4Confident81.2Confident105 Ų10552.3 Ų52.349%0.49126%0.255SS..Hα-helixtrans-63.9-41.4176.9-174.5-177.3170.500111.6N119 K125 G126N119-E122 HydrophobicContact CB-CB 4.11Å; N119-E122 WeakPolarHBondContact ND2-CB 3.48Å; N119-E122 PolarHBondContact ND2-OE2 3.06Å; N119-E122 PolarHBondContact O-N 3.23Å; N119-E122 VanDerWaalsContact O-N 3.07Å; E122-K125 PolarHBondContact O-N 2.94Å; E122-G126 PolarHBondContact O-N 3.31Å
123L85.3Confident81.7Confident9 Ų951.6 Ų51.65%0.04725%0.254CS..Hα-helixtrans-63.5-45.4174.5-76.4171.2000111.9L37 L111 E118 N119 E121 K125 G126 V127 R208 I209L37-L123 HydrophobicContact CD1-CD1 3.7Å; L111-L123 HydrophobicContact CD1-CB 3.96Å; E118-L123 HydrophobicContact CB-CD1 3.79Å; N119-L123 PolarHBondContact O-N 3.45Å; E121-L123 PolarHBondContact O-N 2.77Å; L123-K125 PolarHBondContact O-N 2.97Å; L123-G126 PolarHBondContact O-N 2.76Å; L123-V127 WeakPolarHBondContact O-CB 3.33Å; L123-V127 WeakPolarHBondContact O-CG2 3.37Å; L123-V127 PolarHBondContact O-N 2.97Å; L123-R208 HydrophobicContact CD2-CB 4.12Å; L123-I209 HydrophobicContact CD2-CG1 4.42Å
124A85.8Confident82.4Confident1 Ų150.1 Ų50.11%0.00825%0.246CC..Hα-helixtrans-61-44.3178.300000111.7E104 I107 F108 L111 K120 E121 V127 F128E104-A124 HydrophobicContact CG-CB 4.2Å; I107-A124 HydrophobicContact CB-CB 4.26Å; I107-A124 HydrophobicContact CG2-CB 3.88Å; F108-A124 HydrophobicContact CB-CB 4.13Å; L111-A124 HydrophobicContact CD1-CB 4.33Å; K120-A124 VanDerWaalsContact O-CB 3.22Å; K120-A124 WeakPolarHBondContact O-CB 3.16Å; K120-A124 PolarHBondContact O-N 3.02Å; E121-A124 PolarHBondContact O-N 3.18Å; A124-V127 PolarHBondContact O-N 3.29Å; A124-F128 WeakPolarHBondContact O-CB 3.41Å; A124-F128 PolarHBondContact O-N 3.09Å
125K88.8Confident82.8Confident82 Ų8253.5 Ų53.536%0.35726%0.261SS..Hα-helixtrans-60.6-47.4173.8-75.1173.6175.4170.10111.9E104 E121 E122 L123 V127 F128 N129E104-K125 HydrophobicContact CG-CG 4.32Å; E104-K125 WeakPolarHBondContact OE1-CE 3.4Å; E104-K125 WeakPolarHBondContact OE1-CG 3.3Å; E121-K125 HydrophobicContact CG-CD 4.37Å; E121-K125 WeakPolarHBondContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CG 3.37Å; E121-K125 PolarHBondContact O-N 3.39Å; E121-K125 IonicContact OE1-NZ 3.18Å; E121-K125 PolarHBondContact OE1-NZ 3.08Å; E122-K125 PolarHBondContact O-N 2.94Å; L123-K125 PolarHBondContact O-N 2.97Å; K125-V127 PolarHBondContact O-N 3.09Å; K125-F128 PolarHBondContact O-N 3.2Å; K125-N129 WeakPolarHBondContact O-CB 3.39Å; K125-N129 PolarHBondContact O-N 2.95Å; K125-N129 PolarHBondContact O-ND2 2.79Å
126G90.2Very high83.5Confident11 Ų1155 Ų5511%0.11327%0.273CS..Hα-helixtrans-60.4-44.8178.400000112.8E122 L123 N129 L130 I209E122-G126 PolarHBondContact O-N 3.31Å; L123-G126 PolarHBondContact O-N 2.76Å; G126-N129 PolarHBondContact O-N 3.06Å; G126-L130 WeakPolarHBondContact O-CB 3.5Å; G126-L130 PolarHBondContact O-N 3.34Å; G126-I209 VanDerWaalsContact C-CG2 3.49Å; G126-I209 WeakPolarHBondContact O-CG2 3.11Å
127V88.9Confident84.3Confident0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-61.3-47175.4168.70000110.7I107 L123 A124 K125 L130 Y131 I209 T212 V213 I216I107-V127 HydrophobicContact CD1-CB 4.36Å; I107-V127 HydrophobicContact CD1-CG1 3.68Å; I107-V127 HydrophobicContact CG1-CG1 4.28Å; I107-V127 HydrophobicContact CG2-CB 4.24Å; I107-V127 HydrophobicContact CG2-CG1 4.05Å; L123-V127 WeakPolarHBondContact O-CB 3.33Å; L123-V127 WeakPolarHBondContact O-CG2 3.37Å; L123-V127 PolarHBondContact O-N 2.97Å; A124-V127 PolarHBondContact O-N 3.29Å; K125-V127 PolarHBondContact O-N 3.09Å; V127-L130 PolarHBondContact O-N 3.3Å; V127-Y131 HydrophobicContact CG1-CD2 3.73Å; V127-Y131 HydrophobicContact CG1-CE2 3.38Å; V127-Y131 VanDerWaalsContact O-CD2 3.27Å; V127-Y131 WeakPolarHBondContact O-CD2 3.31Å; V127-Y131 PolarHBondContact O-N 2.77Å; V127-I209 HydrophobicContact CG2-CG2 4.38Å; V127-T212 HydrophobicContact CG2-CG2 3.63Å; V127-V213 HydrophobicContact CB-CG2 4.25Å; V127-V213 HydrophobicContact CG1-CG2 3.87Å; V127-V213 HydrophobicContact CG2-CG2 4.08Å; V127-I216 HydrophobicContact CG1-CD1 3.79Å; V127-I216 HydrophobicContact CG2-CD1 4.3Å
128F87.7Confident85Confident59 Ų5949.1 Ų49.126%0.25925%0.247SC..Hα-helixtrans-61-44.8178.5176.4-97.1000112.5I103 I107 A124 K125 Y131 S132I103-F128 HydrophobicContact CB-CD2 4.29Å; I103-F128 HydrophobicContact CB-CE2 4.28Å; I103-F128 HydrophobicContact CG2-CD2 3.88Å; I103-F128 HydrophobicContact CG2-CE2 4.25Å; I107-F128 HydrophobicContact CD1-CB 4.3Å; A124-F128 WeakPolarHBondContact O-CB 3.41Å; A124-F128 PolarHBondContact O-N 3.09Å; K125-F128 PolarHBondContact O-N 3.2Å; F128-Y131 PolarHBondContact O-N 3.3Å; F128-S132 WeakPolarHBondContact O-CB 3.35Å; F128-S132 PolarHBondContact O-N 3.09Å; F128-S132 PolarHBondContact O-OG 2.95Å
129N90.5Very high85.2Confident88 Ų8849.7 Ų49.747%0.47126%0.255SS..Hα-helixtrans-63.1-47.2177.5-70-17.4000111K125 G126 Y131 S132 D133K125-N129 WeakPolarHBondContact O-CB 3.39Å; K125-N129 PolarHBondContact O-N 2.95Å; K125-N129 PolarHBondContact O-ND2 2.79Å; G126-N129 PolarHBondContact O-N 3.06Å; N129-Y131 VanDerWaalsContact C-N 3.34Å; N129-Y131 PolarHBondContact O-N 2.9Å; N129-S132 WeakPolarHBondContact O-CA 3.19Å; N129-S132 WeakPolarHBondContact O-CB 2.96Å; N129-S132 PolarHBondContact O-N 3.22Å; N129-D133 PolarHBondContact O-N 2.86Å
130L90.9Very high84.8Confident10 Ų1052.7 Ų52.75%0.05228%0.277CS..Hα-helixtrans-60.2-42.8178.7-177.760.7000112.1G126 V127 S132 D133 I134 I196 I209 L210 V213G126-L130 WeakPolarHBondContact O-CB 3.5Å; G126-L130 PolarHBondContact O-N 3.34Å; V127-L130 PolarHBondContact O-N 3.3Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 2.86Å; L130-D133 PolarHBondContact O-N 2.94Å; L130-I134 HydrophobicContact CD1-CD1 4.26Å; L130-I134 HydrophobicContact CG-CD1 4.07Å; L130-I134 WeakPolarHBondContact O-CD1 3.3Å; L130-I134 VanDerWaalsContact O-CG1 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.15Å; L130-I134 PolarHBondContact O-N 3.33Å; L130-I196 HydrophobicContact CD1-CG2 3.38Å; L130-I209 HydrophobicContact CB-CG2 4.15Å; L130-I209 HydrophobicContact CD2-CG2 3.86Å; L130-L210 HydrophobicContact CD2-CD2 3.7Å; L130-L210 HydrophobicContact CD2-CG 4.33Å; L130-V213 HydrophobicContact CD2-CB 4.41Å; L130-V213 HydrophobicContact CD2-CG2 3.83Å
131Y87.6Confident84.2Confident10 Ų1053.7 Ų53.74%0.03929%0.285CS..Hα-helixtrans-62.6-38.2173.6-76.4-46.3000112.8V97 V127 F128 N129 K135 V213 I216 N217V97-Y131 HydrophobicContact CG2-CD2 4.21Å; V97-Y131 HydrophobicContact CG2-CG 4.08Å; V127-Y131 HydrophobicContact CG1-CD2 3.73Å; V127-Y131 HydrophobicContact CG1-CE2 3.38Å; V127-Y131 VanDerWaalsContact O-CD2 3.27Å; V127-Y131 WeakPolarHBondContact O-CD2 3.31Å; V127-Y131 PolarHBondContact O-N 2.77Å; F128-Y131 PolarHBondContact O-N 3.3Å; N129-Y131 VanDerWaalsContact C-N 3.34Å; N129-Y131 PolarHBondContact O-N 2.9Å; Y131-K135 WeakPolarHBondContact O-CB 3.46Å; Y131-K135 PolarHBondContact O-N 3.39Å; Y131-V213 HydrophobicContact CE1-CG1 3.73Å; Y131-V213 HydrophobicContact CE1-CG2 4.3Å; Y131-V213 HydrophobicContact CE2-CG2 4.35Å; Y131-I216 WeakPolarHBondContact OH-CG2 3Å; Y131-N217 PolarHBondContact OH-OD1 3.05Å
132S86.7Confident83.6Confident32 Ų3255.1 Ų55.122%0.22430%0.295CS..Hα-helixtrans-65.8-43.5177.9-61.20000111.4F128 N129 L130 K135 N136F128-S132 WeakPolarHBondContact O-CB 3.35Å; F128-S132 PolarHBondContact O-N 3.09Å; F128-S132 PolarHBondContact O-OG 2.95Å; N129-S132 WeakPolarHBondContact O-CA 3.19Å; N129-S132 WeakPolarHBondContact O-CB 2.96Å; N129-S132 PolarHBondContact O-N 3.22Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 2.86Å; S132-K135 PolarHBondContact O-N 2.87Å; S132-N136 WeakPolarHBondContact O-CB 3.23Å; S132-N136 PolarHBondContact O-N 3.48Å; S132-N136 PolarHBondContact O-ND2 3.4Å
133D90.4Very high83.5Confident80 Ų8056 Ų5643%0.42830%0.3SS..Hα-helixtrans-62.2-46.2176.8-67.2-22.1000111.4N129 L130 K135 N136 A137 I196N129-D133 PolarHBondContact O-N 2.86Å; L130-D133 PolarHBondContact O-N 2.94Å; D133-K135 PolarHBondContact O-N 2.73Å; D133-N136 PolarHBondContact O-N 3.3Å; D133-A137 WeakPolarHBondContact O-CB 3.48Å; D133-A137 PolarHBondContact O-N 3.29Å; D133-I196 HydrophobicContact CB-CD1 4.01Å; D133-I196 HydrophobicContact CB-CG1 4.49Å; D133-I196 HydrophobicContact CB-CG2 4.24Å
134I88.3Confident83.5Confident10 Ų1062.4 Ų62.45%0.05132%0.324CS..Hα-helixtrans-60.6-45176.4-67.3164.9000110.7L130 N136 A137 I138 V193 I196 H197L130-I134 HydrophobicContact CD1-CD1 4.26Å; L130-I134 HydrophobicContact CG-CD1 4.07Å; L130-I134 WeakPolarHBondContact O-CD1 3.3Å; L130-I134 VanDerWaalsContact O-CG1 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.15Å; L130-I134 PolarHBondContact O-N 3.33Å; I134-N136 VanDerWaalsContact C-N 3.32Å; I134-N136 PolarHBondContact O-N 3.03Å; I134-A137 PolarHBondContact O-N 3.21Å; I134-I138 HydrophobicContact CG2-CD1 4.05Å; I134-I138 WeakPolarHBondContact O-CD1 3.29Å; I134-I138 WeakPolarHBondContact O-CG1 3.35Å; I134-V193 HydrophobicContact CG1-CG1 4.47Å; I134-V193 HydrophobicContact CG2-CG1 4.33Å; I134-V193 HydrophobicContact CG2-CG2 4.25Å; I134-I196 HydrophobicContact CG1-CG2 4.35Å; I134-H197 VanDerWaalsContact CD1-CE1 3.49Å; I134-H197 WeakPolarHBondContact CD1-CE1 3.41Å
135K84.7Confident83.7Confident73 Ų7365 Ų6532%0.31734%0.34SS..Hα-helixtrans-61-41.8178.5-179.3179.7176.8178.90111.8V97 Y131 S132 D133 A137 I138V97-K135 PolarHBondContact O-NZ 2.7Å; V97-K135 VanDerWaalsContact O-NZ 3.08Å; Y131-K135 WeakPolarHBondContact O-CB 3.46Å; Y131-K135 PolarHBondContact O-N 3.39Å; S132-K135 PolarHBondContact O-N 2.87Å; D133-K135 PolarHBondContact O-N 2.73Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 3.42Å; K135-I138 PolarHBondContact O-N 2.88Å
136N85.9Confident83.7Confident131 Ų13165.2 Ų65.270%0.70135%0.348SS*.Hα-helixtrans-71.3-25.1179.1-68.2-24.3000112.7S132 D133 I134 I138S132-N136 WeakPolarHBondContact O-CB 3.23Å; S132-N136 PolarHBondContact O-N 3.48Å; S132-N136 PolarHBondContact O-ND2 3.4Å; D133-N136 PolarHBondContact O-N 3.3Å; I134-N136 VanDerWaalsContact C-N 3.32Å; I134-N136 PolarHBondContact O-N 3.03Å; N136-I138 VanDerWaalsContact C-N 3.28Å; N136-I138 PolarHBondContact O-N 3.04Å
137A85.2Confident83.6Confident11 Ų1165.3 Ų65.39%0.09135%0.346CS..Hα-helixtrans-74.5-14.7177.500000114.1D133 I134 K135 P139 K192 V193 I196D133-A137 WeakPolarHBondContact O-CB 3.48Å; D133-A137 PolarHBondContact O-N 3.29Å; I134-A137 PolarHBondContact O-N 3.21Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 3.42Å; A137-P139 VanDerWaalsContact O-CD 3.32Å; A137-P139 WeakPolarHBondContact O-CD 3.38Å; A137-K192 HydrophobicContact CB-CB 3.93Å; A137-V193 HydrophobicContact CB-CG2 3.93Å; A137-I196 HydrophobicContact CB-CD1 3.77Å
138I78.8Confident83.6Confident21 Ų2168.5 Ų68.511%0.10837%0.367CS..  trans-103.9102.9-174-60.3164.1000110.1Q92 I94 I134 K135 N136 V193Q92-I138 HydrophobicContact CB-CD1 4.11Å; Q92-I138 HydrophobicContact CB-CG1 4.24Å; Q92-I138 HydrophobicContact CB-CG2 4.23Å; Q92-I138 HydrophobicContact CG-CD1 4.4Å; Q92-I138 HydrophobicContact CG-CG1 4.2Å; I94-I138 HydrophobicContact CD1-CB 4.31Å; I94-I138 HydrophobicContact CD1-CG2 3.78Å; I94-I138 HydrophobicContact CG1-CB 4.28Å; I94-I138 HydrophobicContact CG1-CD1 3.69Å; I94-I138 HydrophobicContact CG1-CG2 3.94Å; I134-I138 HydrophobicContact CG2-CD1 4.05Å; I134-I138 WeakPolarHBondContact O-CD1 3.29Å; I134-I138 WeakPolarHBondContact O-CG1 3.35Å; K135-I138 PolarHBondContact O-N 2.88Å; N136-I138 VanDerWaalsContact C-N 3.28Å; N136-I138 PolarHBondContact O-N 3.04Å; I138-V193 HydrophobicContact CD1-CG2 4.43Å; I138-V193 HydrophobicContact CG1-CG2 4.09Å
139P71.2Confident83.6Confident61 Ų6166.5 Ų66.540%0.39636%0.358SS..  trans-74.5161.5172.633-32.5000111.3A137 D141 S189A137-P139 VanDerWaalsContact O-CD 3.32Å; A137-P139 WeakPolarHBondContact O-CD 3.38Å; P139-D141 PolarHBondContact O-N 3.25Å; P139-S189 WeakPolarHBondContact CD-OG 3.17Å; P139-S189 VanDerWaalsContact CG-OG 3.24Å; P139-S189 WeakPolarHBondContact CG-OG 3.43Å
140V65.6Low83.4Confident156 Ų15668.2 Ų68.295%0.94536%0.363SS*.SBendtrans-79.727.2177.7-164.20000112
141D66.8Low83.4Confident74 Ų7470.6 Ų70.640%0.39638%0.376SS..  trans-88.5155176.5-156.5-10.2000110.3P139 Q143 N186P139-D141 PolarHBondContact O-N 3.25Å; D141-Q143 PolarHBondContact OD2-NE2 3.38Å; D141-N186 VanDerWaalsContact O-CG 3.28Å; D141-N186 PolarHBondContact O-ND2 3.11Å; D141-N186 PolarHBondContact O-OD1 3Å; D141-N186 VanDerWaalsContact O-OD1 3.09Å
142N70.7Confident83.6Confident133 Ų13370.1 Ų70.171%0.71138%0.375SS*.  trans-126.430.3-178.6-87.2-27.8000111.4
143Q82.8Confident83.9Confident124 Ų12473.5 Ų73.558%0.57939%0.389SS*.  trans-66.8146.1174.6-69.6-176.234.700110.3D141 Y185 N186D141-Q143 PolarHBondContact OD2-NE2 3.38Å; Q143-Y185 CarbonylContact O-C 3.56Å; Q143-Y185 WeakPolarHBondContact O-CA 3.4Å; Q143-N186 PolarHBondContact N-OD1 3.26Å; Q143-N186 VanDerWaalsContact N-OD1 3.16Å; Q143-N186 PolarHBondContact O-N 3.35Å; Q143-N186 PolarHBondContact O-OD1 3.19Å
144Y85.9Confident84Confident143 Ų14376.3 Ų76.356%0.56140%0.4SS*.EExtended strand (participates in β ladder)trans-134.8149.317573.9-90.5000110.7I183 V184 Y185Y144-I183 HydrophobicContact CD2-CG2 3.76Å; Y144-I183 HydrophobicContact CG-CG2 4.09Å; Y144-V184 WeakPolarHBondContact CA-O 3.47Å; Y144-Y185 HydrophobicContact CD1-CE1 4.44Å; Y144-Y185 HydrophobicContact CG-CE1 4.42Å
145T89.2Confident84.2Confident57 Ų5777 Ų7735%0.3540%0.403SS..EExtended strand (participates in β ladder)trans-129.5147.2174.2570000109.8I183 V184 P187T145-I183 CarbonylContact O-C 3.53Å; T145-I183 WeakPolarHBondContact O-CA 3.48Å; T145-V184 PolarHBondContact N-O 3.3Å; T145-V184 PolarHBondContact O-N 2.91Å; T145-P187 HydrophobicContact CG2-CG 4.1Å
146V89.1Confident84.6Confident85 Ų8573.5 Ų73.552%0.51539%0.388SS..EExtended strand (participates in β ladder)trans-90.5121.1169.9-178.40000107.6K181 I182 I183V146-K181 HydrophobicContact CG1-CB 4.22Å; V146-I182 CarbonylContact C-O 3.59Å; V146-I182 VanDerWaalsContact CA-O 3.32Å; V146-I182 WeakPolarHBondContact CA-O 3.43Å; V146-I183 HydrophobicContact CG2-CG1 4.36Å
147V88.8Confident84.9Confident13 Ų1370.6 Ų70.68%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-118.3127.2-173.1-173.70000108.7N151 L152 I155 I182 V184V147-N151 HydrophobicContact CG1-CB 3.7Å; V147-L152 HydrophobicContact CG1-CD2 4.25Å; V147-I155 HydrophobicContact CB-CD1 4.47Å; V147-I155 HydrophobicContact CG1-CD1 3.89Å; V147-I155 HydrophobicContact CG2-CD1 3.85Å; V147-I182 PolarHBondContact N-O 3.48Å; V147-I182 WeakPolarHBondContact O-CB 3.2Å; V147-V184 HydrophobicContact CB-CG2 4.12Å; V147-V184 HydrophobicContact CG2-CB 4.09Å; V147-V184 HydrophobicContact CG2-CG2 3.72Å
148P87.9Confident85.2Confident67 Ų6771.2 Ų71.244%0.43538%0.38SS..  trans-57.4148.2168-23.934.3000111.1E150 N151P148-E150 PolarHBondContact O-N 3.2Å; P148-N151 PolarHBondContact O-N 2.87Å
149F88.1Confident86Confident17 Ų1770.3 Ų70.38%0.07538%0.376CS..G310 helixtrans-55.3-40.1-177.2174.4-96.4000112.3N151 L152 W161 N162 F165 I182F149-N151 PolarHBondContact O-N 2.83Å; F149-L152 HydrophobicContact CD2-CD1 4.32Å; F149-L152 PolarHBondContact O-N 3.07Å; F149-W161 HydrophobicContact CE2-CB 4.35Å; F149-W161 HydrophobicContact CZ-CB 4.4Å; F149-N162 WeakPolarHBondContact CE1-OD1 3.4Å; F149-N162 VanDerWaalsContact CZ-OD1 3.27Å; F149-N162 WeakPolarHBondContact CZ-OD1 3.43Å; F149-F165 HydrophobicContact CD2-CD1 4.05Å; F149-F165 HydrophobicContact CD2-CE1 4.11Å; F149-F165 HydrophobicContact CD2-CG 4.33Å; F149-F165 HydrophobicContact CD2-CZ 4.44Å; F149-F165 HydrophobicContact CE2-CB 3.98Å; F149-F165 AromaticContact CE2-CD1 3.82Å; F149-F165 HydrophobicContact CE2-CD1 3.82Å; F149-F165 AromaticContact CE2-CD2 3.91Å; F149-F165 HydrophobicContact CE2-CD2 3.91Å; F149-F165 HydrophobicContact CE2-CE1 4.23Å; F149-F165 HydrophobicContact CE2-CE2 4.34Å; F149-F165 AromaticContact CE2-CG 3.64Å; F149-F165 HydrophobicContact CE2-CG 3.64Å; F149-F165 HydrophobicContact CE2-CZ 4.49Å; F149-I182 HydrophobicContact CB-CD1 3.89Å; F149-I182 HydrophobicContact CD2-CD1 3.82Å; F149-I182 HydrophobicContact CG-CD1 4.35Å
150E87.7Confident87Confident124 Ų12470.7 Ų70.758%0.57937%0.374SS*.G310 helixtrans-65.8-24.6-179.1-57.871.7-153.900112.6P148 I153P148-E150 PolarHBondContact O-N 3.2Å; E150-I153 WeakPolarHBondContact O-CG2 3.33Å
151N90.7Very high88.3Confident61 Ų6163.7 Ų63.733%0.32633%0.331SS..G310 helixtrans-89.1-9.1-177.2-69.31000113V147 P148 F149 I153 Q154V147-N151 HydrophobicContact CG1-CB 3.7Å; P148-N151 PolarHBondContact O-N 2.87Å; F149-N151 PolarHBondContact O-N 2.83Å; N151-I153 PolarHBondContact O-N 3.34Å; N151-Q154 WeakPolarHBondContact O-CB 2.99Å; N151-Q154 PolarHBondContact O-N 3.09Å; N151-Q154 VanDerWaalsContact O-N 3.07Å
152L91.4Very high89.5Confident0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-60.5-33.4177.6-75.4177000112.7I90 V147 F149 Q154 I155 C156 W161 F165 I182 V184I90-L152 HydrophobicContact CD1-CD2 4.32Å; V147-L152 HydrophobicContact CG1-CD2 4.25Å; F149-L152 HydrophobicContact CD2-CD1 4.32Å; F149-L152 PolarHBondContact O-N 3.07Å; L152-Q154 PolarHBondContact O-N 2.94Å; L152-I155 PolarHBondContact O-N 2.98Å; L152-C156 PolarHBondContact O-N 3.16Å; L152-W161 HydrophobicContact CB-CB 4.49Å; L152-W161 HydrophobicContact CB-CD2 3.86Å; L152-W161 HydrophobicContact CB-CG 3.76Å; L152-W161 HydrophobicContact CB-CZ2 4.43Å; L152-W161 HydrophobicContact CD1-CB 4.48Å; L152-W161 HydrophobicContact CD1-CD2 3.89Å; L152-W161 HydrophobicContact CD1-CE3 3.93Å; L152-W161 HydrophobicContact CD1-CG 4.17Å; L152-W161 HydrophobicContact CD1-CZ3 4.42Å; L152-W161 HydrophobicContact CG-CD2 4.45Å; L152-W161 PolarHBondContact O-NE1 3.48Å; L152-F165 HydrophobicContact CD1-CE2 4.05Å; L152-F165 HydrophobicContact CD1-CZ 3.99Å; L152-I182 HydrophobicContact CD1-CD1 3.54Å; L152-I182 HydrophobicContact CD1-CG2 4.37Å; L152-I182 HydrophobicContact CD2-CG2 4.25Å; L152-I182 HydrophobicContact CG-CD1 4.25Å; L152-V184 HydrophobicContact CD2-CG2 3.79Å
153I92.9Very high90.6Very high103 Ų10359.5 Ų59.553%0.52831%0.31SS..Hα-helixtrans-62.2-26.6177.7-162.4167.4000112.4E150 N151 I155 C156 S157E150-I153 WeakPolarHBondContact O-CG2 3.33Å; N151-I153 PolarHBondContact O-N 3.34Å; I153-I155 VanDerWaalsContact C-N 3.33Å; I153-C156 CarbonylContact O-C 3.6Å; I153-S157 WeakPolarHBondContact O-CA 3.33Å; I153-S157 PolarHBondContact O-N 3.01Å
154Q92.3Very high91.1Very high139 Ų13953.6 Ų53.665%0.6528%0.283SS*.Hα-helixtrans-75.4-24177.4-59.3176.3-300112.3N151 L152 Q191N151-Q154 WeakPolarHBondContact O-CB 2.99Å; N151-Q154 PolarHBondContact O-N 3.09Å; N151-Q154 VanDerWaalsContact O-N 3.07Å; L152-Q154 PolarHBondContact O-N 2.94Å; Q154-Q191 PolarHBondContact O-OE1 3.36Å
155I92.3Very high91.5Very high24 Ų2446.8 Ų46.812%0.12326%0.256CS..Hα-helixtrans-91.6-30.2178.8-55.4175.5000111.1V147 L152 I153 V184 P187 L190 Q191V147-I155 HydrophobicContact CB-CD1 4.47Å; V147-I155 HydrophobicContact CG1-CD1 3.89Å; V147-I155 HydrophobicContact CG2-CD1 3.85Å; L152-I155 PolarHBondContact O-N 2.98Å; I153-I155 VanDerWaalsContact C-N 3.33Å; I155-V184 HydrophobicContact CD1-CG2 4.43Å; I155-P187 HydrophobicContact CD1-CB 4.26Å; I155-P187 HydrophobicContact CG2-CB 4.45Å; I155-L190 HydrophobicContact CG2-CB 4.08Å; I155-L190 HydrophobicContact CG2-CD2 3.83Å; I155-L190 HydrophobicContact CG2-CG 3.97Å; I155-Q191 VanDerWaalsContact CA-OE1 3.25Å; I155-Q191 VanDerWaalsContact O-CA 3.29Å; I155-Q191 WeakPolarHBondContact O-CA 3.33Å; I155-Q191 PolarHBondContact O-OE1 2.89Å
156C93.7Very high91.7Very high0 Ų048 Ų480%026%0.258CS..  trans-155.592.2-178-173.60000109.5L152 I153 V158 W161 L190 C194L152-C156 PolarHBondContact O-N 3.16Å; I153-C156 CarbonylContact O-C 3.6Å; C156-V158 VanDerWaalsContact C-N 3.35Å; C156-W161 HydrophobicContact CB-CZ2 3.78Å; C156-W161 PolarHBondContact O-NE1 3.26Å; C156-L190 HydrophobicContact CB-CG 4.49Å; C156-C194 HydrophobicContact CB-CB 3.8Å; C156-C194 WeakPolarHBondContact CB-SG 3.49Å; C156-C194 WeakPolarHBondContact SG-CB 3.28Å; C156-C194 CovalentContact SG-SG 2.02Å; C156-C194 PolarHBondContact SG-SG 3.38Å
157S92.6Very high91.9Very high69 Ų6944.7 Ų44.748%0.48324%0.238SC..THydrogen-bonded Turntrans-80.5-16.1-177.657.60000113.6I153 I159 M198I153-S157 WeakPolarHBondContact O-CA 3.33Å; I153-S157 PolarHBondContact O-N 3.01Å; S157-I159 PolarHBondContact O-N 3.42Å; S157-M198 WeakPolarHBondContact OG-CE 3.45Å
158V91.7Very high92.1Very high25 Ų2544.2 Ų44.215%0.15224%0.235CC..THydrogen-bonded Turntrans-69.4-13.6177.276.40000112.7L61 C156 C194 M198 M201L61-V158 HydrophobicContact CD2-CB 4.47Å; L61-V158 HydrophobicContact CD2-CG1 4.03Å; L61-V158 HydrophobicContact CD2-CG2 3.64Å; C156-V158 VanDerWaalsContact C-N 3.35Å; V158-C194 HydrophobicContact CG1-CB 4.03Å; V158-M198 HydrophobicContact CG2-CB 4.45Å; V158-M201 HydrophobicContact CG2-CG 4.29Å
159I93.8Very high92.4Very high2 Ų241.1 Ų41.11%0.0122%0.215CC..SBendtrans-109.4122.3178.7-59.7-58.1000110.2L61 I65 I77 F78 S157 W161 L164L61-I159 HydrophobicContact CD2-CD1 4.2Å; L61-I159 HydrophobicContact CG-CD1 4.21Å; I65-I159 HydrophobicContact CD1-CD1 3.67Å; I77-I159 HydrophobicContact CD1-CD1 3.75Å; I77-I159 HydrophobicContact CD1-CG1 4.39Å; F78-I159 HydrophobicContact CE1-CG1 4.22Å; S157-I159 PolarHBondContact O-N 3.42Å; I159-W161 HydrophobicContact CB-CD2 4.4Å; I159-W161 HydrophobicContact CB-CZ2 4.39Å; I159-W161 HydrophobicContact CG2-CD2 3.9Å; I159-W161 HydrophobicContact CG2-CE3 3.99Å; I159-W161 HydrophobicContact CG2-CG 4.35Å; I159-W161 HydrophobicContact CG2-CZ2 4.45Å; I159-W161 HydrophobicContact CG2-CZ3 4.33Å; I159-W161 PolarHBondContact O-N 2.84Å; I159-L164 HydrophobicContact CG2-CB 4.5Å; I159-L164 HydrophobicContact CG2-CD1 3.97Å
160D93.5Very high92.6Very high68 Ų6848.6 Ų48.636%0.36424%0.243SC..  trans-70.993162.8-169.5-29.9000110.2T62 N162 V163 L164T62-D160 HydrophobicContact CG2-CB 4.5Å; T62-D160 PolarHBondContact OG1-N 2.61Å; D160-N162 VanDerWaalsContact C-N 3.28Å; D160-N162 PolarHBondContact O-N 3.06Å; D160-N162 WeakPolarHBondContact OD1-CB 3.34Å; D160-N162 PolarHBondContact OD1-N 3.18Å; D160-N162 VanDerWaalsContact OD1-N 3.07Å; D160-V163 HydrophobicContact CB-CB 4.06Å; D160-V163 HydrophobicContact CB-CG2 4.18Å; D160-V163 PolarHBondContact O-N 3.41Å; D160-V163 PolarHBondContact OD1-N 3.36Å; D160-V163 WeakPolarHBondContact OD2-CG2 3.38Å; D160-L164 WeakPolarHBondContact O-CB 3.27Å; D160-L164 PolarHBondContact O-N 2.91Å
161W93.2Very high92.8Very high9 Ų944.7 Ų44.73%0.03422%0.224CC..Hα-helixtrans-64.7-28.5-179.4-65.5105.2000113.5F78 I90 F149 L152 C156 I159 L164 F165F78-W161 HydrophobicContact CD1-CH2 4.23Å; F78-W161 AromaticContact CE1-CH2 3.88Å; F78-W161 HydrophobicContact CE1-CH2 3.88Å; F78-W161 HydrophobicContact CE1-CZ3 4.19Å; F78-W161 HydrophobicContact CE2-CZ3 4.4Å; F78-W161 HydrophobicContact CZ-CH2 4.1Å; F78-W161 AromaticContact CZ-CZ3 3.95Å; F78-W161 HydrophobicContact CZ-CZ3 3.95Å; I90-W161 HydrophobicContact CD1-CH2 4Å; I90-W161 HydrophobicContact CD1-CZ3 3.89Å; F149-W161 HydrophobicContact CE2-CB 4.35Å; F149-W161 HydrophobicContact CZ-CB 4.4Å; L152-W161 HydrophobicContact CB-CB 4.49Å; L152-W161 HydrophobicContact CB-CD2 3.86Å; L152-W161 HydrophobicContact CB-CG 3.76Å; L152-W161 HydrophobicContact CB-CZ2 4.43Å; L152-W161 HydrophobicContact CD1-CB 4.48Å; L152-W161 HydrophobicContact CD1-CD2 3.89Å; L152-W161 HydrophobicContact CD1-CE3 3.93Å; L152-W161 HydrophobicContact CD1-CG 4.17Å; L152-W161 HydrophobicContact CD1-CZ3 4.42Å; L152-W161 HydrophobicContact CG-CD2 4.45Å; L152-W161 PolarHBondContact O-NE1 3.48Å; C156-W161 HydrophobicContact CB-CZ2 3.78Å; C156-W161 PolarHBondContact O-NE1 3.26Å; I159-W161 HydrophobicContact CB-CD2 4.4Å; I159-W161 HydrophobicContact CB-CZ2 4.39Å; I159-W161 HydrophobicContact CG2-CD2 3.9Å; I159-W161 HydrophobicContact CG2-CE3 3.99Å; I159-W161 HydrophobicContact CG2-CG 4.35Å; I159-W161 HydrophobicContact CG2-CZ2 4.45Å; I159-W161 HydrophobicContact CG2-CZ3 4.33Å; I159-W161 PolarHBondContact O-N 2.84Å; W161-L164 HydrophobicContact CE3-CD2 4.29Å; W161-L164 HydrophobicContact CZ3-CD2 4.4Å; W161-F165 HydrophobicContact CE3-CD2 4.22Å; W161-F165 AromaticContact CE3-CE2 3.66Å; W161-F165 HydrophobicContact CE3-CE2 3.66Å; W161-F165 HydrophobicContact CZ3-CE2 4.12Å; W161-F165 WeakPolarHBondContact O-CB 3.28Å; W161-F165 VanDerWaalsContact O-CD2 3.25Å; W161-F165 WeakPolarHBondContact O-CD2 3.4Å; W161-F165 PolarHBondContact O-N 2.87Å
162N92.1Very high92.8Very high73 Ų7342 Ų4239%0.3921%0.21SC..Hα-helixtrans-66.3-53.9174.5-76.4-57.4000109.9F149 D160 L164 F165 E166F149-N162 WeakPolarHBondContact CE1-OD1 3.4Å; F149-N162 VanDerWaalsContact CZ-OD1 3.27Å; F149-N162 WeakPolarHBondContact CZ-OD1 3.43Å; D160-N162 VanDerWaalsContact C-N 3.28Å; D160-N162 PolarHBondContact O-N 3.06Å; D160-N162 WeakPolarHBondContact OD1-CB 3.34Å; D160-N162 PolarHBondContact OD1-N 3.18Å; D160-N162 VanDerWaalsContact OD1-N 3.07Å; N162-L164 VanDerWaalsContact C-N 3.28Å; N162-L164 PolarHBondContact O-N 3.07Å; N162-F165 PolarHBondContact O-N 3.22Å; N162-E166 WeakPolarHBondContact O-CB 3.28Å; N162-E166 VanDerWaalsContact O-CG 3.24Å; N162-E166 WeakPolarHBondContact O-CG 3.47Å; N162-E166 PolarHBondContact O-N 3.26Å
163V92.6Very high92.7Very high47 Ų4750.1 Ų50.129%0.28525%0.245SC..Hα-helixtrans-59.2-41.71791720000111.1T62 D160 S167T62-V163 HydrophobicContact CG2-CB 4.23Å; T62-V163 HydrophobicContact CG2-CG1 3.99Å; D160-V163 HydrophobicContact CB-CB 4.06Å; D160-V163 HydrophobicContact CB-CG2 4.18Å; D160-V163 PolarHBondContact O-N 3.41Å; D160-V163 PolarHBondContact OD1-N 3.36Å; D160-V163 WeakPolarHBondContact OD2-CG2 3.38Å; V163-S167 WeakPolarHBondContact O-CB 3.4Å; V163-S167 PolarHBondContact O-N 3.1Å; V163-S167 PolarHBondContact O-OG 3.4Å
164L94.3Very high92.4Very high0 Ų047.8 Ų47.80%023%0.23CC..Hα-helixtrans-63.5-52.7179.6-172.1132.9000112.2T62 I65 I69 F78 F80 I159 D160 W161 N162 S167 I168T62-L164 HydrophobicContact CG2-CB 3.89Å; T62-L164 HydrophobicContact CG2-CD1 4.3Å; I65-L164 HydrophobicContact CD1-CD1 3.96Å; I65-L164 HydrophobicContact CG1-CD1 4.48Å; I69-L164 HydrophobicContact CD1-CD1 3.52Å; I69-L164 HydrophobicContact CD1-CD2 4.44Å; I69-L164 HydrophobicContact CD1-CG 4.13Å; F78-L164 HydrophobicContact CZ-CD1 3.79Å; F80-L164 HydrophobicContact CD2-CD2 4.48Å; I159-L164 HydrophobicContact CG2-CB 4.5Å; I159-L164 HydrophobicContact CG2-CD1 3.97Å; D160-L164 WeakPolarHBondContact O-CB 3.27Å; D160-L164 PolarHBondContact O-N 2.91Å; W161-L164 HydrophobicContact CE3-CD2 4.29Å; W161-L164 HydrophobicContact CZ3-CD2 4.4Å; N162-L164 VanDerWaalsContact C-N 3.28Å; N162-L164 PolarHBondContact O-N 3.07Å; L164-S167 PolarHBondContact O-N 3.24Å; L164-I168 HydrophobicContact CD2-CD1 3.84Å; L164-I168 HydrophobicContact CG-CD1 4.21Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 3.46Å
165F93.6Very high92.1Very high0 Ų049.7 Ų49.70%024%0.239CC..Hα-helixtrans-67.5-44.5-179.1-83-122.9000110.7F80 K88 F149 L152 W161 N162 S167 I168 F169 Y177 I182F80-F165 HydrophobicContact CE2-CE1 4.16Å; F80-F165 AromaticContact CE2-CE2 3.9Å; F80-F165 HydrophobicContact CE2-CE2 3.9Å; F80-F165 AromaticContact CE2-CZ 3.7Å; F80-F165 HydrophobicContact CE2-CZ 3.7Å; F80-F165 HydrophobicContact CZ-CZ 4.5Å; K88-F165 HydrophobicContact CD-CE1 3.68Å; K88-F165 HydrophobicContact CD-CZ 4.4Å; K88-F165 VanDerWaalsContact NZ-CE1 3.34Å; F149-F165 HydrophobicContact CD2-CD1 4.05Å; F149-F165 HydrophobicContact CD2-CE1 4.11Å; F149-F165 HydrophobicContact CD2-CG 4.33Å; F149-F165 HydrophobicContact CD2-CZ 4.44Å; F149-F165 HydrophobicContact CE2-CB 3.98Å; F149-F165 AromaticContact CE2-CD1 3.82Å; F149-F165 HydrophobicContact CE2-CD1 3.82Å; F149-F165 AromaticContact CE2-CD2 3.91Å; F149-F165 HydrophobicContact CE2-CD2 3.91Å; F149-F165 HydrophobicContact CE2-CE1 4.23Å; F149-F165 HydrophobicContact CE2-CE2 4.34Å; F149-F165 AromaticContact CE2-CG 3.64Å; F149-F165 HydrophobicContact CE2-CG 3.64Å; F149-F165 HydrophobicContact CE2-CZ 4.49Å; L152-F165 HydrophobicContact CD1-CE2 4.05Å; L152-F165 HydrophobicContact CD1-CZ 3.99Å; W161-F165 HydrophobicContact CE3-CD2 4.22Å; W161-F165 AromaticContact CE3-CE2 3.66Å; W161-F165 HydrophobicContact CE3-CE2 3.66Å; W161-F165 HydrophobicContact CZ3-CE2 4.12Å; W161-F165 WeakPolarHBondContact O-CB 3.28Å; W161-F165 VanDerWaalsContact O-CD2 3.25Å; W161-F165 WeakPolarHBondContact O-CD2 3.4Å; W161-F165 PolarHBondContact O-N 2.87Å; N162-F165 PolarHBondContact O-N 3.22Å; F165-S167 VanDerWaalsContact C-N 3.3Å; F165-S167 PolarHBondContact O-N 3.27Å; F165-I168 PolarHBondContact O-N 2.99Å; F165-F169 HydrophobicContact CB-CD2 4.16Å; F165-F169 HydrophobicContact CB-CE2 4.48Å; F165-F169 HydrophobicContact CD1-CD2 4.12Å; F165-F169 AromaticContact CD1-CE2 3.7Å; F165-F169 HydrophobicContact CD1-CE2 3.7Å; F165-F169 HydrophobicContact CE1-CE2 4.3Å; F165-F169 HydrophobicContact CG-CD2 4.45Å; F165-F169 HydrophobicContact CG-CE2 4.29Å; F165-F169 WeakPolarHBondContact O-CB 3.43Å; F165-F169 WeakPolarHBondContact O-CD2 3.37Å; F165-F169 PolarHBondContact O-N 2.89Å; F165-Y177 HydrophobicContact CB-CD2 3.86Å; F165-Y177 HydrophobicContact CB-CE2 3.76Å; F165-Y177 HydrophobicContact CD1-CD2 4.04Å; F165-Y177 HydrophobicContact CG-CD2 4.46Å; F165-I182 HydrophobicContact CE1-CD1 3.8Å; F165-I182 HydrophobicContact CE1-CG1 4.43Å; F165-I182 HydrophobicContact CZ-CD1 3.8Å
166E93.5Very high91.7Very high82 Ų8251.6 Ų51.638%0.38326%0.255SS..Hα-helixtrans-57.5-43.5176.7-76177.2-170.400111.7N162 I168 R170 Y177N162-E166 WeakPolarHBondContact O-CB 3.28Å; N162-E166 VanDerWaalsContact O-CG 3.24Å; N162-E166 WeakPolarHBondContact O-CG 3.47Å; N162-E166 PolarHBondContact O-N 3.26Å; E166-I168 PolarHBondContact O-N 3.23Å; E166-R170 WeakPolarHBondContact O-CB 3.26Å; E166-R170 PolarHBondContact O-N 2.93Å; E166-Y177 HydrophobicContact CG-CE1 4.41Å; E166-Y177 WeakPolarHBondContact CG-OH 3.35Å; E166-Y177 PolarHBondContact OE1-OH 3.34Å
167S93.4Very high91.2Very high16 Ų1652.7 Ų52.711%0.11226%0.259CS..Hα-helixtrans-62-42.6179.3-62.90000112.4V163 L164 F165 E171V163-S167 WeakPolarHBondContact O-CB 3.4Å; V163-S167 PolarHBondContact O-N 3.1Å; V163-S167 PolarHBondContact O-OG 3.4Å; L164-S167 PolarHBondContact O-N 3.24Å; F165-S167 VanDerWaalsContact C-N 3.3Å; F165-S167 PolarHBondContact O-N 3.27Å; S167-E171 WeakPolarHBondContact O-CG 3.24Å
168I93.8Very high90.8Very high2 Ų254.1 Ų54.11%0.0126%0.257CS..Hα-helixtrans-73.7-48.8-179.6-62.8164.5000111.1L66 I69 F70 F80 L164 F165 E166 E171 L172 F359L66-I168 HydrophobicContact CD2-CG1 4.35Å; I69-I168 HydrophobicContact CG2-CD1 3.77Å; I69-I168 HydrophobicContact CG2-CG1 4.38Å; F70-I168 HydrophobicContact CE1-CG1 4.39Å; F70-I168 HydrophobicContact CZ-CG1 4.33Å; F80-I168 HydrophobicContact CD1-CD1 4.27Å; F80-I168 HydrophobicContact CE1-CD1 4.14Å; F80-I168 HydrophobicContact CE1-CG2 4.36Å; F80-I168 HydrophobicContact CZ-CD1 4.35Å; L164-I168 HydrophobicContact CD2-CD1 3.84Å; L164-I168 HydrophobicContact CG-CD1 4.21Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 3.46Å; F165-I168 PolarHBondContact O-N 2.99Å; E166-I168 PolarHBondContact O-N 3.23Å; I168-E171 WeakPolarHBondContact O-CB 3.46Å; I168-E171 PolarHBondContact O-N 3.49Å; I168-L172 HydrophobicContact CG2-CD1 4.36Å; I168-L172 PolarHBondContact O-N 3.28Å; I168-F359 HydrophobicContact CG2-CD2 4.29Å; I168-F359 HydrophobicContact CG2-CE2 4.23Å
169F92.9Very high90.4Very high2 Ų259.6 Ų59.61%0.00929%0.285CS..Hα-helixtrans-77.7-21.3-173.4-73.3-75.9000113.3F80 K88 F165 L172 K173 Y174 Y177 L180 L363F80-F169 AromaticContact CZ-CE2 3.91Å; F80-F169 HydrophobicContact CZ-CE2 3.91Å; F80-F169 HydrophobicContact CZ-CZ 4.06Å; K88-F169 HydrophobicContact CD-CE2 4.41Å; K88-F169 HydrophobicContact CD-CZ 4.07Å; F165-F169 HydrophobicContact CB-CD2 4.16Å; F165-F169 HydrophobicContact CB-CE2 4.48Å; F165-F169 HydrophobicContact CD1-CD2 4.12Å; F165-F169 AromaticContact CD1-CE2 3.7Å; F165-F169 HydrophobicContact CD1-CE2 3.7Å; F165-F169 HydrophobicContact CE1-CE2 4.3Å; F165-F169 HydrophobicContact CG-CD2 4.45Å; F165-F169 HydrophobicContact CG-CE2 4.29Å; F165-F169 WeakPolarHBondContact O-CB 3.43Å; F165-F169 WeakPolarHBondContact O-CD2 3.37Å; F165-F169 PolarHBondContact O-N 2.89Å; F169-L172 HydrophobicContact CD1-CD1 3.86Å; F169-L172 HydrophobicContact CE1-CD1 4.01Å; F169-L172 CarbonylContact O-C 3.57Å; F169-L172 PolarHBondContact O-N 3.38Å; F169-K173 PolarHBondContact O-N 2.97Å; F169-K173 VanDerWaalsContact O-N 3.08Å; F169-Y174 AromaticContact CD1-CD1 3.87Å; F169-Y174 HydrophobicContact CD1-CD1 3.87Å; F169-Y174 HydrophobicContact CD1-CG 4.33Å; F169-Y174 HydrophobicContact CE1-CD1 4.34Å; F169-Y174 PolarHBondContact O-N 3.03Å; F169-Y177 HydrophobicContact CB-CD1 3.77Å; F169-Y177 HydrophobicContact CB-CG 3.86Å; F169-Y177 VanDerWaalsContact CD2-CB 3.5Å; F169-Y177 HydrophobicContact CD2-CD2 4.04Å; F169-Y177 AromaticContact CD2-CG 3.77Å; F169-Y177 HydrophobicContact CD2-CG 3.77Å; F169-Y177 HydrophobicContact CG-CD1 4.23Å; F169-Y177 AromaticContact CG-CG 3.79Å; F169-Y177 HydrophobicContact CG-CG 3.79Å; F169-L180 HydrophobicContact CE1-CD1 4.32Å; F169-L363 HydrophobicContact CE1-CD1 4.28Å
170R93.2Very high89.9Confident174 Ų17460.6 Ų60.666%0.65729%0.29SS*.Hα-helixtrans-64.6-42.4168.5-178178.566.2-150.1-2.4111.8E166 L172 K173E166-R170 WeakPolarHBondContact O-CB 3.26Å; E166-R170 PolarHBondContact O-N 2.93Å; R170-L172 VanDerWaalsContact C-N 3.26Å; R170-L172 PolarHBondContact O-N 3.15Å; R170-K173 PolarHBondContact O-N 3.47Å
171E92.2Very high89.5Confident42 Ų4263.4 Ų63.420%0.19630%0.299CS..Hα-helixtrans-61.8-37.4175-69.7-77.1177.500111.5F70 S167 I168 K173 F332 N335 K352 L356F70-E171 HydrophobicContact CE1-CG 4.21Å; F70-E171 HydrophobicContact CZ-CG 4.06Å; S167-E171 WeakPolarHBondContact O-CG 3.24Å; I168-E171 WeakPolarHBondContact O-CB 3.46Å; I168-E171 PolarHBondContact O-N 3.49Å; E171-K173 PolarHBondContact O-N 3.35Å; E171-F332 WeakPolarHBondContact O-CE1 3.45Å; E171-N335 PolarHBondContact OE2-ND2 2.87Å; E171-K352 IonicContact OE1-NZ 2.88Å; E171-K352 PolarHBondContact OE1-NZ 2.95Å; E171-K352 IonicContact OE2-NZ 2.77Å; E171-K352 PolarHBondContact OE2-NZ 3.04Å; E171-L356 HydrophobicContact CB-CD1 4.01Å; E171-L356 HydrophobicContact CB-CD2 3.89Å
172L90Very high89.4Confident6 Ų663 Ų633%0.03130%0.298CS..THydrogen-bonded Turntrans-76.4-6174.7-65.3171.2000114I168 F169 R170 Y174 F332 L356 F359 D360 L363I168-L172 HydrophobicContact CG2-CD1 4.36Å; I168-L172 PolarHBondContact O-N 3.28Å; F169-L172 HydrophobicContact CD1-CD1 3.86Å; F169-L172 HydrophobicContact CE1-CD1 4.01Å; F169-L172 CarbonylContact O-C 3.57Å; F169-L172 PolarHBondContact O-N 3.38Å; R170-L172 VanDerWaalsContact C-N 3.26Å; R170-L172 PolarHBondContact O-N 3.15Å; L172-Y174 PolarHBondContact O-N 3.23Å; L172-F332 HydrophobicContact CD2-CE1 4.36Å; L172-F332 HydrophobicContact CD2-CZ 3.99Å; L172-L356 HydrophobicContact CD2-CB 4.12Å; L172-L356 HydrophobicContact CD2-CD2 3.7Å; L172-L356 WeakPolarHBondContact CD2-O 2.98Å; L172-L356 HydrophobicContact CG-CD2 3.89Å; L172-F359 HydrophobicContact CD1-CB 3.98Å; L172-F359 HydrophobicContact CD1-CD2 4.22Å; L172-F359 HydrophobicContact CD2-CB 4.06Å; L172-D360 HydrophobicContact CD2-CB 4.26Å; L172-L363 HydrophobicContact CD1-CD1 4.04Å
173K89.1Confident89.3Confident169 Ų16960.1 Ų60.174%0.73528%0.282SS*.THydrogen-bonded Turntrans5136.9-171.8-57175.7-177.1170.10112.6F169 R170 E171F169-K173 PolarHBondContact O-N 2.97Å; F169-K173 VanDerWaalsContact O-N 3.08Å; R170-K173 PolarHBondContact O-N 3.47Å; E171-K173 PolarHBondContact O-N 3.35Å
174Y87.4Confident89.2Confident55 Ų5557.9 Ų57.922%0.21627%0.269CS..  trans-112.495.6-175.1-171.8-88.1000111.1F169 L172 L180 L363F169-Y174 AromaticContact CD1-CD1 3.87Å; F169-Y174 HydrophobicContact CD1-CD1 3.87Å; F169-Y174 HydrophobicContact CD1-CG 4.33Å; F169-Y174 HydrophobicContact CE1-CD1 4.34Å; F169-Y174 PolarHBondContact O-N 3.03Å; L172-Y174 PolarHBondContact O-N 3.23Å; Y174-L180 HydrophobicContact CD1-CD1 4.41Å; Y174-L180 HydrophobicContact CE1-CD1 3.66Å; Y174-L180 HydrophobicContact CE1-CG 4.24Å; Y174-L363 HydrophobicContact CD2-CD1 4.13Å; Y174-L363 HydrophobicContact CE2-CD2 4.42Å; Y174-L363 HydrophobicContact CG-CD1 4.17Å
175E84.9Confident88.9Confident178 Ų17861.2 Ų61.283%0.83228%0.281SS*.G310 helixtrans-76.3-28.1-171.5-62.1-178.9172.200113.8Y177E175-Y177 WeakPolarHBondContact O-CD1 3.45Å; E175-Y177 PolarHBondContact O-N 3.3Å
176S84.2Confident88.6Confident64 Ų6462 Ų6245%0.44829%0.286SS..G310 helixtrans-80.423.1-175.1-67.60000114.2K178 N179S176-K178 VanDerWaalsContact C-N 3.25Å; S176-K178 PolarHBondContact O-N 3.04Å; S176-N179 PolarHBondContact O-N 2.96Å; S176-N179 VanDerWaalsContact O-N 3.15Å
177Y84.3Confident88.4Confident24 Ų2459.2 Ų59.29%0.09428%0.275CS..G310 helixtrans-67.1-23.2-171.569.1-91.2000114.3K88 F165 E166 F169 E175 N179 L180K88-Y177 PolarHBondContact NZ-O 2.93Å; F165-Y177 HydrophobicContact CB-CD2 3.86Å; F165-Y177 HydrophobicContact CB-CE2 3.76Å; F165-Y177 HydrophobicContact CD1-CD2 4.04Å; F165-Y177 HydrophobicContact CG-CD2 4.46Å; E166-Y177 HydrophobicContact CG-CE1 4.41Å; E166-Y177 WeakPolarHBondContact CG-OH 3.35Å; E166-Y177 PolarHBondContact OE1-OH 3.34Å; F169-Y177 HydrophobicContact CB-CD1 3.77Å; F169-Y177 HydrophobicContact CB-CG 3.86Å; F169-Y177 VanDerWaalsContact CD2-CB 3.5Å; F169-Y177 HydrophobicContact CD2-CD2 4.04Å; F169-Y177 AromaticContact CD2-CG 3.77Å; F169-Y177 HydrophobicContact CD2-CG 3.77Å; F169-Y177 HydrophobicContact CG-CD1 4.23Å; F169-Y177 AromaticContact CG-CG 3.79Å; F169-Y177 HydrophobicContact CG-CG 3.79Å; E175-Y177 WeakPolarHBondContact O-CD1 3.45Å; E175-Y177 PolarHBondContact O-N 3.3Å; Y177-N179 VanDerWaalsContact C-N 3.29Å; Y177-L180 PolarHBondContact O-N 3.24Å
178K83Confident88.2Confident99 Ų9964 Ų6443%0.4330%0.299SS..G310 helixtrans-70.5-23176.1-64.2-171.9-179.8-177.50112.8S176 L180S176-K178 VanDerWaalsContact C-N 3.25Å; S176-K178 PolarHBondContact O-N 3.04Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.46Å
179N83Confident87.9Confident139 Ų13964.2 Ų64.274%0.74330%0.301SS*.G310 helixtrans-83.7-4.1179.2-63.4-21.2000113.4S176 Y177S176-N179 PolarHBondContact O-N 2.96Å; S176-N179 VanDerWaalsContact O-N 3.15Å; Y177-N179 VanDerWaalsContact C-N 3.29Å
180L83.5Confident87.9Confident23 Ų2364.2 Ų64.212%0.1230%0.301CS..SBendtrans-82.6140.1-177.3-65.6176.1000110.5K88 F169 Y174 Y177 K178 L363K88-L180 HydrophobicContact CD-CB 4.28Å; K88-L180 HydrophobicContact CD-CD1 4.45Å; K88-L180 VanDerWaalsContact CE-CB 3.5Å; K88-L180 HydrophobicContact CG-CB 4.47Å; F169-L180 HydrophobicContact CE1-CD1 4.32Å; Y174-L180 HydrophobicContact CD1-CD1 4.41Å; Y174-L180 HydrophobicContact CE1-CD1 3.66Å; Y174-L180 HydrophobicContact CE1-CG 4.24Å; Y177-L180 PolarHBondContact O-N 3.24Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.46Å; L180-L363 HydrophobicContact CD1-CD2 4.12Å
181K86.4Confident87.8Confident127 Ų12758.6 Ų58.655%0.55228%0.282SS*.EExtended strand (participates in β ladder)trans-72.2134.7174.5-65.1-177.1177.4-175.60109.6R86 N87 K88 V146R86-K181 PolarHBondContact O-N 3.47Å; N87-K181 WeakPolarHBondContact CA-O 3.41Å; K88-K181 PolarHBondContact N-O 2.72Å; V146-K181 HydrophobicContact CG1-CB 4.22Å
182I90.4Very high87.9Confident2 Ų261.9 Ų61.91%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-107.2122.6178.6-47.6178.2000108K88 I90 V146 V147 F149 L152 F165 V184K88-I182 HydrophobicContact CD-CG1 4.48Å; I90-I182 HydrophobicContact CD1-CG2 3.89Å; I90-I182 HydrophobicContact CG1-CG2 4.37Å; V146-I182 CarbonylContact C-O 3.59Å; V146-I182 VanDerWaalsContact CA-O 3.32Å; V146-I182 WeakPolarHBondContact CA-O 3.43Å; V147-I182 PolarHBondContact N-O 3.48Å; V147-I182 WeakPolarHBondContact O-CB 3.2Å; F149-I182 HydrophobicContact CB-CD1 3.89Å; F149-I182 HydrophobicContact CD2-CD1 3.82Å; F149-I182 HydrophobicContact CG-CD1 4.35Å; L152-I182 HydrophobicContact CD1-CD1 3.54Å; L152-I182 HydrophobicContact CD1-CG2 4.37Å; L152-I182 HydrophobicContact CD2-CG2 4.25Å; L152-I182 HydrophobicContact CG-CD1 4.25Å; F165-I182 HydrophobicContact CE1-CD1 3.8Å; F165-I182 HydrophobicContact CE1-CG1 4.43Å; F165-I182 HydrophobicContact CZ-CD1 3.8Å; I182-V184 HydrophobicContact CG2-CG2 4.38Å
183I89.9Confident88Confident12 Ų1261.6 Ų61.66%0.06229%0.294CS..EExtended strand (participates in β ladder)trans-99.8122.2173.3-57.5-176.3000107.2N87 K88 S89 I90 Y144 T145 V146 Y185N87-I183 HydrophobicContact CB-CD1 3.62Å; N87-I183 HydrophobicContact CB-CG1 4.15Å; N87-I183 WeakPolarHBondContact ND2-CD1 3.37Å; K88-I183 WeakPolarHBondContact O-CA 3.22Å; K88-I183 VanDerWaalsContact O-CB 3.24Å; K88-I183 WeakPolarHBondContact O-CB 3.44Å; K88-I183 PolarHBondContact O-N 2.88Å; S89-I183 CarbonylContact C-O 3.59Å; S89-I183 WeakPolarHBondContact CA-O 3.44Å; I90-I183 PolarHBondContact N-O 3.39Å; Y144-I183 HydrophobicContact CD2-CG2 3.76Å; Y144-I183 HydrophobicContact CG-CG2 4.09Å; T145-I183 CarbonylContact O-C 3.53Å; T145-I183 WeakPolarHBondContact O-CA 3.48Å; V146-I183 HydrophobicContact CG2-CG1 4.36Å; I183-Y185 HydrophobicContact CB-CE2 4.38Å; I183-Y185 HydrophobicContact CG2-CD2 3.82Å; I183-Y185 HydrophobicContact CG2-CE2 3.5Å; I183-Y185 VanDerWaalsContact CG2-CE2 3.5Å
184V90.7Very high88.2Confident0 Ų053.5 Ų53.50%026%0.259CS..EExtended strand (participates in β ladder)trans-106.8118.1172.1-177.60000107.5Y144 T145 V147 L152 I155 I182 P187 L190Y144-V184 WeakPolarHBondContact CA-O 3.47Å; T145-V184 PolarHBondContact N-O 3.3Å; T145-V184 PolarHBondContact O-N 2.91Å; V147-V184 HydrophobicContact CB-CG2 4.12Å; V147-V184 HydrophobicContact CG2-CB 4.09Å; V147-V184 HydrophobicContact CG2-CG2 3.72Å; L152-V184 HydrophobicContact CD2-CG2 3.79Å; I155-V184 HydrophobicContact CD1-CG2 4.43Å; I182-V184 HydrophobicContact CG2-CG2 4.38Å; V184-P187 HydrophobicContact CG1-CB 4.07Å; V184-L190 HydrophobicContact CG1-CD2 3.78Å
185Y88Confident88.5Confident69 Ų6954 Ų5427%0.27127%0.265SS..EExtended strand (participates in β ladder)trans-84.4133170.6-71.5-103.1000109I90 N91 Q143 Y144 I183I90-Y185 PolarHBondContact O-N 3.01Å; N91-Y185 WeakPolarHBondContact OD1-CD2 3.16Å; N91-Y185 VanDerWaalsContact OD1-CE2 3.28Å; N91-Y185 WeakPolarHBondContact OD1-CE2 3.31Å; Q143-Y185 CarbonylContact O-C 3.56Å; Q143-Y185 WeakPolarHBondContact O-CA 3.4Å; Y144-Y185 HydrophobicContact CD1-CE1 4.44Å; Y144-Y185 HydrophobicContact CG-CE1 4.42Å; I183-Y185 HydrophobicContact CB-CE2 4.38Å; I183-Y185 HydrophobicContact CG2-CD2 3.82Å; I183-Y185 HydrophobicContact CG2-CE2 3.5Å; I183-Y185 VanDerWaalsContact CG2-CE2 3.5Å
186N87Confident89Confident17 Ų1747.1 Ų47.19%0.09123%0.234CC..SBendtrans50.161.6-179.1-55.8-34000113.2Q92 D141 Q143 D188 S189 L190Q92-N186 PolarHBondContact NE2-O 3.42Å; D141-N186 VanDerWaalsContact O-CG 3.28Å; D141-N186 PolarHBondContact O-ND2 3.11Å; D141-N186 PolarHBondContact O-OD1 3Å; D141-N186 VanDerWaalsContact O-OD1 3.09Å; Q143-N186 PolarHBondContact N-OD1 3.26Å; Q143-N186 VanDerWaalsContact N-OD1 3.16Å; Q143-N186 PolarHBondContact O-N 3.35Å; Q143-N186 PolarHBondContact O-OD1 3.19Å; N186-D188 VanDerWaalsContact C-N 3.27Å; N186-D188 PolarHBondContact O-N 3.04Å; N186-S189 WeakPolarHBondContact O-CB 3.49Å; N186-S189 PolarHBondContact O-N 3.03Å; N186-L190 PolarHBondContact O-N 2.63Å; N186-L190 VanDerWaalsContact O-N 3.07Å
187P89Confident89.4Confident23 Ų2344 Ų4415%0.14921%0.213CC..Hα-helixtrans-53-40.7-176.122.7-35.1000113.5T145 I155 V184 S189 L190 Q191T145-P187 HydrophobicContact CG2-CG 4.1Å; I155-P187 HydrophobicContact CD1-CB 4.26Å; I155-P187 HydrophobicContact CG2-CB 4.45Å; V184-P187 HydrophobicContact CG1-CB 4.07Å; P187-S189 PolarHBondContact O-N 3.22Å; P187-L190 WeakPolarHBondContact O-CB 3.41Å; P187-L190 PolarHBondContact O-N 3.5Å; P187-L190 VanDerWaalsContact O-N 3.13Å; P187-Q191 PolarHBondContact O-N 3.43Å
188D88.9Confident89.8Confident118 Ų11845.9 Ų45.963%0.63122%0.223SC*.Hα-helixtrans-60.8-33.1177.6-62.8-16.2000112.9N186 K192N186-D188 VanDerWaalsContact C-N 3.27Å; N186-D188 PolarHBondContact O-N 3.04Å; D188-K192 WeakPolarHBondContact O-CG 3.4Å; D188-K192 PolarHBondContact O-N 3.46Å; D188-K192 VanDerWaalsContact O-N 3.13Å
189S88.6Confident90.3Very high6 Ų646.9 Ų46.94%0.04223%0.232CC..Hα-helixtrans-82-30.1-179.2-51.80000110.7Q92 P139 N186 P187 Q191 K192 V193Q92-S189 VanDerWaalsContact CD-CB 3.41Å; Q92-S189 VanDerWaalsContact NE2-C 3.26Å; P139-S189 WeakPolarHBondContact CD-OG 3.17Å; P139-S189 VanDerWaalsContact CG-OG 3.24Å; P139-S189 WeakPolarHBondContact CG-OG 3.43Å; N186-S189 WeakPolarHBondContact O-CB 3.49Å; N186-S189 PolarHBondContact O-N 3.03Å; P187-S189 PolarHBondContact O-N 3.22Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-K192 PolarHBondContact O-N 3.18Å; S189-V193 VanDerWaalsContact O-CG2 3.31Å; S189-V193 WeakPolarHBondContact O-CG2 3.22Å; S189-V193 PolarHBondContact O-N 2.8Å
190L91.2Very high90.8Very high2 Ų241.1 Ų41.11%0.0120%0.204CC..Hα-helixtrans-64.4-43.7170.217859.1000109.6I77 F78 I90 I155 C156 V184 N186 P187 V193 C194I77-L190 HydrophobicContact CG2-CD1 4.19Å; F78-L190 HydrophobicContact CB-CD1 4.05Å; F78-L190 HydrophobicContact CD1-CD1 4.25Å; I90-L190 HydrophobicContact CG2-CD2 4.31Å; I155-L190 HydrophobicContact CG2-CB 4.08Å; I155-L190 HydrophobicContact CG2-CD2 3.83Å; I155-L190 HydrophobicContact CG2-CG 3.97Å; C156-L190 HydrophobicContact CB-CG 4.49Å; V184-L190 HydrophobicContact CG1-CD2 3.78Å; N186-L190 PolarHBondContact O-N 2.63Å; N186-L190 VanDerWaalsContact O-N 3.07Å; P187-L190 WeakPolarHBondContact O-CB 3.41Å; P187-L190 PolarHBondContact O-N 3.5Å; P187-L190 VanDerWaalsContact O-N 3.13Å; L190-V193 PolarHBondContact O-N 3.17Å; L190-C194 WeakPolarHBondContact O-CB 3.46Å; L190-C194 PolarHBondContact O-N 3.25Å; L190-C194 PolarHBondContact O-SG 3.45Å
191Q92.9Very high91.1Very high56 Ų5641.7 Ų41.726%0.26221%0.206SC..Hα-helixtrans-56.5-52.7174.2-177.367.561.700111.6Q154 I155 P187 S189 V193 C194 D195Q154-Q191 PolarHBondContact O-OE1 3.36Å; I155-Q191 VanDerWaalsContact CA-OE1 3.25Å; I155-Q191 VanDerWaalsContact O-CA 3.29Å; I155-Q191 WeakPolarHBondContact O-CA 3.33Å; I155-Q191 PolarHBondContact O-OE1 2.89Å; P187-Q191 PolarHBondContact O-N 3.43Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; Q191-V193 VanDerWaalsContact C-N 3.33Å; Q191-V193 PolarHBondContact O-N 3.3Å; Q191-C194 CarbonylContact O-C 3.57Å; Q191-C194 WeakPolarHBondContact O-CA 3.32Å; Q191-C194 PolarHBondContact O-N 2.86Å; Q191-D195 PolarHBondContact NE2-OD1 2.97Å; Q191-D195 PolarHBondContact O-N 3.46Å
192K92.6Very high91.3Very high110 Ų11041.5 Ų41.548%0.47821%0.211SC..Hα-helixtrans-57.1-43.9178.6-71.2173.1-173.9177.10112.8A137 D188 S189 C194 D195 I196A137-K192 HydrophobicContact CB-CB 3.93Å; D188-K192 WeakPolarHBondContact O-CG 3.4Å; D188-K192 PolarHBondContact O-N 3.46Å; D188-K192 VanDerWaalsContact O-N 3.13Å; S189-K192 PolarHBondContact O-N 3.18Å; K192-C194 VanDerWaalsContact C-N 3.33Å; K192-D195 PolarHBondContact O-N 2.97Å; K192-I196 WeakPolarHBondContact O-CG1 3.32Å; K192-I196 PolarHBondContact O-N 3.09Å
193V92.6Very high91.3Very high0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-65-39.6177.51740000110.7I77 I134 A137 I138 S189 L190 Q191 I196 H197I77-V193 HydrophobicContact CB-CG1 4.44Å; I77-V193 HydrophobicContact CG2-CG1 4.12Å; I134-V193 HydrophobicContact CG1-CG1 4.47Å; I134-V193 HydrophobicContact CG2-CG1 4.33Å; I134-V193 HydrophobicContact CG2-CG2 4.25Å; A137-V193 HydrophobicContact CB-CG2 3.93Å; I138-V193 HydrophobicContact CD1-CG2 4.43Å; I138-V193 HydrophobicContact CG1-CG2 4.09Å; S189-V193 VanDerWaalsContact O-CG2 3.31Å; S189-V193 WeakPolarHBondContact O-CG2 3.22Å; S189-V193 PolarHBondContact O-N 2.8Å; L190-V193 PolarHBondContact O-N 3.17Å; Q191-V193 VanDerWaalsContact C-N 3.33Å; Q191-V193 PolarHBondContact O-N 3.3Å; V193-I196 PolarHBondContact O-N 2.9Å; V193-H197 PolarHBondContact O-N 3.08Å; V193-H197 VanDerWaalsContact O-N 3.12Å; V193-H197 PolarHBondContact O-ND1 3.45Å
194C93.5Very high91.1Very high0 Ų047.7 Ų47.70%025%0.25CC..Hα-helixtrans-66.5-37175.4-670000112.6I77 C156 V158 L190 Q191 K192 H197 M198I77-C194 VanDerWaalsContact CG2-SG 3.59Å; C156-C194 HydrophobicContact CB-CB 3.8Å; C156-C194 WeakPolarHBondContact CB-SG 3.49Å; C156-C194 WeakPolarHBondContact SG-CB 3.28Å; C156-C194 CovalentContact SG-SG 2.02Å; C156-C194 PolarHBondContact SG-SG 3.38Å; V158-C194 HydrophobicContact CG1-CB 4.03Å; L190-C194 WeakPolarHBondContact O-CB 3.46Å; L190-C194 PolarHBondContact O-N 3.25Å; L190-C194 PolarHBondContact O-SG 3.45Å; Q191-C194 CarbonylContact O-C 3.57Å; Q191-C194 WeakPolarHBondContact O-CA 3.32Å; Q191-C194 PolarHBondContact O-N 2.86Å; K192-C194 VanDerWaalsContact C-N 3.33Å; C194-H197 PolarHBondContact O-N 3.17Å; C194-M198 WeakPolarHBondContact O-CB 3.37Å; C194-M198 PolarHBondContact O-N 2.88Å
195D94.1Very high90.9Very high65 Ų6550.1 Ų50.135%0.34827%0.267SS..Hα-helixtrans-62.9-42.6174.6-62.8-22.6000111.2Q191 K192 H197 M198 L199Q191-D195 PolarHBondContact NE2-OD1 2.97Å; Q191-D195 PolarHBondContact O-N 3.46Å; K192-D195 PolarHBondContact O-N 2.97Å; D195-H197 PolarHBondContact O-N 2.8Å; D195-M198 WeakPolarHBondContact O-CB 3.5Å; D195-M198 PolarHBondContact O-N 2.98Å; D195-L199 WeakPolarHBondContact O-CG 3.36Å; D195-L199 PolarHBondContact O-N 3.38Å
196I94.1Very high91Very high33 Ų3347.1 Ų47.117%0.16926%0.257CS..Hα-helixtrans-58.7-46.4174.3-69.1162.4000111L130 D133 I134 A137 K192 V193 L199 A200L130-I196 HydrophobicContact CD1-CG2 3.38Å; D133-I196 HydrophobicContact CB-CD1 4.01Å; D133-I196 HydrophobicContact CB-CG1 4.49Å; D133-I196 HydrophobicContact CB-CG2 4.24Å; I134-I196 HydrophobicContact CG1-CG2 4.35Å; A137-I196 HydrophobicContact CB-CD1 3.77Å; K192-I196 WeakPolarHBondContact O-CG1 3.32Å; K192-I196 PolarHBondContact O-N 3.09Å; V193-I196 PolarHBondContact O-N 2.9Å; I196-L199 PolarHBondContact O-N 3.34Å; I196-A200 PolarHBondContact O-N 2.89Å; I196-A200 VanDerWaalsContact O-N 3.13Å
197H93.6Very high91.1Very high0 Ų047.2 Ų47.20%026%0.257CS..Hα-helixtrans-66.9-37.5178-72.573.2000111.6L61 S76 I77 I134 V193 C194 D195 A200 M201 L210L61-H197 HydrophobicContact CD2-CB 4.06Å; S76-H197 PolarHBondContact OG-NE2 3.43Å; S76-H197 VanDerWaalsContact OG-NE2 3.11Å; I77-H197 WeakPolarHBondContact CG1-NE2 3.43Å; I134-H197 VanDerWaalsContact CD1-CE1 3.49Å; I134-H197 WeakPolarHBondContact CD1-CE1 3.41Å; V193-H197 PolarHBondContact O-N 3.08Å; V193-H197 VanDerWaalsContact O-N 3.12Å; V193-H197 PolarHBondContact O-ND1 3.45Å; C194-H197 PolarHBondContact O-N 3.17Å; D195-H197 PolarHBondContact O-N 2.8Å; H197-A200 PolarHBondContact O-N 2.84Å; H197-M201 VanDerWaalsContact O-CG 3.28Å; H197-M201 WeakPolarHBondContact O-CG 3.5Å; H197-M201 PolarHBondContact O-N 3.27Å; H197-L210 HydrophobicContact CB-CD2 4.43Å; H197-L210 VanDerWaalsContact CD2-CD2 3.43Å; H197-L210 WeakPolarHBondContact CD2-CD2 3.5Å
198M93Very high91Very high62 Ų6249.6 Ų49.631%0.30526%0.263SS..Hα-helixtrans-63.8-42.2176.3-168.9-172.7-53.800111.8S157 V158 C194 D195 A200 M201 N202S157-M198 WeakPolarHBondContact OG-CE 3.45Å; V158-M198 HydrophobicContact CG2-CB 4.45Å; C194-M198 WeakPolarHBondContact O-CB 3.37Å; C194-M198 PolarHBondContact O-N 2.88Å; D195-M198 WeakPolarHBondContact O-CB 3.5Å; D195-M198 PolarHBondContact O-N 2.98Å; M198-A200 PolarHBondContact O-N 3.39Å; M198-M201 WeakPolarHBondContact O-CB 3.27Å; M198-M201 PolarHBondContact O-N 2.93Å; M198-N202 PolarHBondContact O-N 3.04Å
199L93.7Very high91Very high121 Ų12145.2 Ų45.263%0.63424%0.239SC*.Hα-helixtrans-61.3-43.7175-72.2171.6000111.7D195 I196 M201 N202D195-L199 WeakPolarHBondContact O-CG 3.36Å; D195-L199 PolarHBondContact O-N 3.38Å; I196-L199 PolarHBondContact O-N 3.34Å; L199-M201 VanDerWaalsContact C-N 3.31Å; L199-M201 PolarHBondContact O-N 3.13Å; L199-N202 WeakPolarHBondContact O-CB 3.48Å; L199-N202 PolarHBondContact O-N 2.97Å
200A92.4Very high91.1Very high18 Ų1845 Ų4515%0.14924%0.237CC..Hα-helixtrans-65.9-34176.400000112.2I196 H197 M198 N202 T203 G206 K207 L210I196-A200 PolarHBondContact O-N 2.89Å; I196-A200 VanDerWaalsContact O-N 3.13Å; H197-A200 PolarHBondContact O-N 2.84Å; M198-A200 PolarHBondContact O-N 3.39Å; A200-N202 PolarHBondContact O-N 3.39Å; A200-T203 PolarHBondContact O-N 3Å; A200-G206 CarbonylContact O-C 3.07Å; A200-G206 WeakPolarHBondContact O-CA 3.47Å; A200-K207 PolarHBondContact O-N 2.86Å; A200-K207 VanDerWaalsContact O-N 3.16Å; A200-L210 HydrophobicContact CB-CD1 3.58Å; A200-L210 HydrophobicContact CB-CD2 4.15Å; A200-L210 HydrophobicContact CB-CG 3.69Å
201M90.4Very high91.1Very high35 Ų3545 Ų4517%0.17224%0.237CC..Hα-helixtrans-64.1-22175.4-77.7-66.8-69.100113.9F59 V158 H197 M198 L199 T203 K207 L210F59-M201 HydrophobicContact CD1-CE 3.88Å; F59-M201 HydrophobicContact CD1-SD 3.82Å; F59-M201 HydrophobicContact CE1-CE 4.25Å; F59-M201 HydrophobicContact CE1-SD 3.55Å; F59-M201 VanDerWaalsContact CE1-SD 3.55Å; V158-M201 HydrophobicContact CG2-CG 4.29Å; H197-M201 VanDerWaalsContact O-CG 3.28Å; H197-M201 WeakPolarHBondContact O-CG 3.5Å; H197-M201 PolarHBondContact O-N 3.27Å; M198-M201 WeakPolarHBondContact O-CB 3.27Å; M198-M201 PolarHBondContact O-N 2.93Å; L199-M201 VanDerWaalsContact C-N 3.31Å; L199-M201 PolarHBondContact O-N 3.13Å; M201-T203 VanDerWaalsContact C-N 3.27Å; M201-T203 PolarHBondContact O-N 2.97Å; M201-K207 WeakPolarHBondContact O-CE 3.45Å; M201-K207 HydrophobicContact SD-CG 4.15Å; M201-L210 HydrophobicContact CB-CD1 4.47Å; M201-L210 HydrophobicContact CG-CD1 3.63Å; M201-L210 HydrophobicContact SD-CD1 3.71Å
202N90.2Very high90.9Very high122 Ų12242.3 Ų42.365%0.65223%0.225SC*.THydrogen-bonded Turntrans-74.7-11-176.6-70.6-23.5000114.6M198 L199 A200M198-N202 PolarHBondContact O-N 3.04Å; L199-N202 WeakPolarHBondContact O-CB 3.48Å; L199-N202 PolarHBondContact O-N 2.97Å; A200-N202 PolarHBondContact O-N 3.39Å
203T90.3Very high90.7Very high75 Ų7537.1 Ų37.146%0.4620%0.202SC..SBendtrans-130149.1-17868.50000111.3A200 M201 S205 G206 K207A200-T203 PolarHBondContact O-N 3Å; M201-T203 VanDerWaalsContact C-N 3.27Å; M201-T203 PolarHBondContact O-N 2.97Å; T203-S205 VanDerWaalsContact C-N 3.26Å; T203-S205 PolarHBondContact O-N 2.98Å; T203-G206 PolarHBondContact O-N 2.46Å; T203-G206 PolarHBondContact OG1-N 2.7Å; T203-K207 WeakPolarHBondContact O-CG 3.5Å; T203-K207 PolarHBondContact O-N 2.83Å
204T85.8Confident90.6Very high69 Ų6937.1 Ų37.142%0.42320%0.202SC..Hα-helixtrans-58.7-38.9175.1-53.20000111.9I53 R208I53-T204 HydrophobicContact CG2-CG2 4.03Å; T204-R208 WeakPolarHBondContact O-CG 3.32Å; T204-R208 PolarHBondContact O-N 3.49Å; T204-R208 VanDerWaalsContact O-N 3.11Å
205S86.9Confident90.4Very high51 Ų5137.1 Ų37.136%0.35720%0.202SC..Hα-helixtrans-66.1-46176.7-177.50000111.6T203 K207 R208 I209T203-S205 VanDerWaalsContact C-N 3.26Å; T203-S205 PolarHBondContact O-N 2.98Å; S205-K207 PolarHBondContact O-N 3.48Å; S205-R208 WeakPolarHBondContact O-CB 3.4Å; S205-R208 PolarHBondContact O-N 3.45Å; S205-R208 VanDerWaalsContact O-N 3.13Å; S205-I209 WeakPolarHBondContact O-CG1 3.4Å; S205-I209 PolarHBondContact O-N 2.87Å
206G90.1Very high90Very high7 Ų734.2 Ų34.27%0.07219%0.187CC..Hα-helixtrans-63.1-38.5176.600000113.2A200 T203 R208 I209 L210A200-G206 CarbonylContact O-C 3.07Å; A200-G206 WeakPolarHBondContact O-CA 3.47Å; T203-G206 PolarHBondContact O-N 2.46Å; T203-G206 PolarHBondContact OG1-N 2.7Å; G206-R208 PolarHBondContact O-N 3.18Å; G206-I209 PolarHBondContact O-N 3.17Å; G206-L210 WeakPolarHBondContact O-CB 3.23Å; G206-L210 WeakPolarHBondContact O-CG 3.35Å; G206-L210 PolarHBondContact O-N 3.47Å
207K89.4Confident89.7Confident18 Ų1833 Ų338%0.07818%0.181CC..Hα-helixtrans-60.5-41.6171.6-71.4-179.8177.2-177.40112.2I53 D56 F59 A200 M201 T203 S205 L210 H211I53-K207 HydrophobicContact CG2-CB 3.69Å; I53-K207 HydrophobicContact CG2-CD 4.05Å; I53-K207 VanDerWaalsContact O-CD 3.31Å; I53-K207 WeakPolarHBondContact O-CD 3.21Å; I53-K207 PolarHBondContact O-NZ 3.37Å; D56-K207 IonicContact OD1-NZ 3.96Å; D56-K207 PolarHBondContact OD1-NZ 3.19Å; F59-K207 HydrophobicContact CD1-CB 4.21Å; F59-K207 HydrophobicContact CD1-CD 3.96Å; F59-K207 HydrophobicContact CD1-CG 3.97Å; F59-K207 HydrophobicContact CE1-CB 3.77Å; F59-K207 HydrophobicContact CE1-CD 4.34Å; F59-K207 HydrophobicContact CE1-CG 3.84Å; F59-K207 HydrophobicContact CG-CD 4.43Å; F59-K207 HydrophobicContact CZ-CB 3.97Å; F59-K207 WeakPolarHBondContact CZ-O 3.43Å; A200-K207 PolarHBondContact O-N 2.86Å; A200-K207 VanDerWaalsContact O-N 3.16Å; M201-K207 WeakPolarHBondContact O-CE 3.45Å; M201-K207 HydrophobicContact SD-CG 4.15Å; T203-K207 WeakPolarHBondContact O-CG 3.5Å; T203-K207 PolarHBondContact O-N 2.83Å; S205-K207 PolarHBondContact O-N 3.48Å; K207-L210 PolarHBondContact O-N 3.02Å; K207-H211 WeakPolarHBondContact O-CB 3.44Å; K207-H211 PolarHBondContact O-N 3.3Å
208R87.2Confident89.6Confident74 Ų7433 Ų3328%0.27918%0.181SC..Hα-helixtrans-62.5-43.1174.7-71.5169.2179.2-162.26.3112.1I53 E118 L123 T204 S205 G206 H211 T212I53-R208 HydrophobicContact CD1-CB 4.33Å; I53-R208 HydrophobicContact CD1-CG 3.46Å; I53-R208 VanDerWaalsContact CD1-CG 3.46Å; I53-R208 HydrophobicContact CG2-CG 4.46Å; E118-R208 IonicContact OE1-CZ 2.63Å; E118-R208 VanDerWaalsContact OE1-CZ 3.22Å; E118-R208 IonicContact OE1-NE 3.98Å; E118-R208 IonicContact OE1-NH1 3.22Å; E118-R208 PolarHBondContact OE1-NH1 3.46Å; E118-R208 VanDerWaalsContact OE1-NH1 3.1Å; E118-R208 IonicContact OE1-NH2 3.1Å; E118-R208 WeakPolarHBondContact OE2-CD 3.37Å; E118-R208 IonicContact OE2-CZ 3.36Å; E118-R208 IonicContact OE2-NE 3.74Å; E118-R208 IonicContact OE2-NH1 3.92Å; E118-R208 PolarHBondContact OE2-NH1 3.21Å; L123-R208 HydrophobicContact CD2-CB 4.12Å; T204-R208 WeakPolarHBondContact O-CG 3.32Å; T204-R208 PolarHBondContact O-N 3.49Å; T204-R208 VanDerWaalsContact O-N 3.11Å; S205-R208 WeakPolarHBondContact O-CB 3.4Å; S205-R208 PolarHBondContact O-N 3.45Å; S205-R208 VanDerWaalsContact O-N 3.13Å; G206-R208 PolarHBondContact O-N 3.18Å; R208-H211 PolarHBondContact O-N 3.43Å; R208-T212 WeakPolarHBondContact O-CB 3.17Å; R208-T212 PolarHBondContact O-N 2.82Å; R208-T212 PolarHBondContact O-OG1 3.1Å
209I89.3Confident89.3Confident26 Ų2630.1 Ų30.113%0.13317%0.166CC..Hα-helixtrans-62.5-46.3176.5-68.2163.3000110.5L123 G126 V127 L130 S205 G206 T212 V213L123-I209 HydrophobicContact CD2-CG1 4.42Å; G126-I209 VanDerWaalsContact C-CG2 3.49Å; G126-I209 WeakPolarHBondContact O-CG2 3.11Å; V127-I209 HydrophobicContact CG2-CG2 4.38Å; L130-I209 HydrophobicContact CB-CG2 4.15Å; L130-I209 HydrophobicContact CD2-CG2 3.86Å; S205-I209 WeakPolarHBondContact O-CG1 3.4Å; S205-I209 PolarHBondContact O-N 2.87Å; G206-I209 PolarHBondContact O-N 3.17Å; I209-T212 WeakPolarHBondContact O-CB 3.28Å; I209-T212 PolarHBondContact O-N 2.93Å; I209-V213 PolarHBondContact O-N 3.31Å
210L90.8Very high88.8Confident0 Ų024.7 Ų24.70%014%0.137CC..Hα-helixtrans-59.7-47.9177.5-78170.8000112.2L130 H197 A200 M201 G206 K207 T212 V213 I214L130-L210 HydrophobicContact CD2-CD2 3.7Å; L130-L210 HydrophobicContact CD2-CG 4.33Å; H197-L210 HydrophobicContact CB-CD2 4.43Å; H197-L210 VanDerWaalsContact CD2-CD2 3.43Å; H197-L210 WeakPolarHBondContact CD2-CD2 3.5Å; A200-L210 HydrophobicContact CB-CD1 3.58Å; A200-L210 HydrophobicContact CB-CD2 4.15Å; A200-L210 HydrophobicContact CB-CG 3.69Å; M201-L210 HydrophobicContact CB-CD1 4.47Å; M201-L210 HydrophobicContact CG-CD1 3.63Å; M201-L210 HydrophobicContact SD-CD1 3.71Å; G206-L210 WeakPolarHBondContact O-CB 3.23Å; G206-L210 WeakPolarHBondContact O-CG 3.35Å; G206-L210 PolarHBondContact O-N 3.47Å; K207-L210 PolarHBondContact O-N 3.02Å; L210-T212 VanDerWaalsContact C-N 3.27Å; L210-T212 PolarHBondContact O-N 3.38Å; L210-V213 PolarHBondContact O-N 2.91Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.46Å; L210-I214 PolarHBondContact O-N 3.44Å
211H90.4Very high88.3Confident3 Ų324.8 Ų24.81%0.01414%0.136CC..Hα-helixtrans-56.1-46.3175.6-173.6-84.9000111.1F33 G35 W36 I49 F59 K207 R208 V213 I214 V215F33-H211 PolarHBondContact O-NE2 3.34Å; G35-H211 PolarHBondContact O-CE1 3.2Å; G35-H211 PolarHBondContact O-NE2 2.93Å; W36-H211 AromaticContact CE3-CE1 3.92Å; I49-H211 WeakPolarHBondContact CD1-CE1 3.43Å; I49-H211 WeakPolarHBondContact CD1-ND1 3.3Å; F59-H211 HydrophobicContact CE2-CB 3.91Å; F59-H211 AromaticContact CE2-CD2 3.92Å; F59-H211 HydrophobicContact CZ-CB 3.99Å; K207-H211 WeakPolarHBondContact O-CB 3.44Å; K207-H211 PolarHBondContact O-N 3.3Å; R208-H211 PolarHBondContact O-N 3.43Å; H211-V213 PolarHBondContact O-N 3.1Å; H211-I214 PolarHBondContact O-N 3.46Å; H211-V215 WeakPolarHBondContact O-CG2 3.44Å; H211-V215 PolarHBondContact O-N 3.04Å
212T88Confident88.1Confident0 Ų023.2 Ų23.20%013%0.128CC..Hα-helixtrans-61.9-44.6179.2-560000111.8L111 V127 R208 I209 L210 I214 V215 I216L111-T212 HydrophobicContact CD2-CG2 3.72Å; V127-T212 HydrophobicContact CG2-CG2 3.63Å; R208-T212 WeakPolarHBondContact O-CB 3.17Å; R208-T212 PolarHBondContact O-N 2.82Å; R208-T212 PolarHBondContact O-OG1 3.1Å; I209-T212 WeakPolarHBondContact O-CB 3.28Å; I209-T212 PolarHBondContact O-N 2.93Å; L210-T212 VanDerWaalsContact C-N 3.27Å; L210-T212 PolarHBondContact O-N 3.38Å; T212-I214 VanDerWaalsContact C-N 3.35Å; T212-I214 PolarHBondContact O-N 3.07Å; T212-V215 PolarHBondContact O-N 2.83Å; T212-I216 HydrophobicContact CG2-CD1 3.83Å; T212-I216 HydrophobicContact CG2-CG1 4.42Å; T212-I216 WeakPolarHBondContact O-CB 3.46Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 3.37Å; T212-I216 PolarHBondContact O-N 2.86Å
213V89Confident87.5Confident0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-59-45.3174.8162.10000111.7V127 L130 Y131 I209 L210 H211 V215 I216 N217V127-V213 HydrophobicContact CB-CG2 4.25Å; V127-V213 HydrophobicContact CG1-CG2 3.87Å; V127-V213 HydrophobicContact CG2-CG2 4.08Å; L130-V213 HydrophobicContact CD2-CB 4.41Å; L130-V213 HydrophobicContact CD2-CG2 3.83Å; Y131-V213 HydrophobicContact CE1-CG1 3.73Å; Y131-V213 HydrophobicContact CE1-CG2 4.3Å; Y131-V213 HydrophobicContact CE2-CG2 4.35Å; I209-V213 PolarHBondContact O-N 3.31Å; L210-V213 PolarHBondContact O-N 2.91Å; H211-V213 PolarHBondContact O-N 3.1Å; V213-V215 VanDerWaalsContact C-N 3.34Å; V213-V215 PolarHBondContact O-N 2.66Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-N217 WeakPolarHBondContact CG1-ND2 3.41Å; V213-N217 WeakPolarHBondContact O-CB 3.34Å; V213-N217 PolarHBondContact O-N 3.12Å; V213-N217 PolarHBondContact O-ND2 2.79Å
214I90.8Very high86.8Confident1 Ų121.4 Ų21.41%0.00512%0.117CC..Hα-helixtrans-60.7-45.2179.5-72.2171.8000110.3F33 L61 L64 I65 L68 L210 H211 T212 N217 F218F33-I214 HydrophobicContact CD1-CG2 3.59Å; F33-I214 HydrophobicContact CE1-CG2 3.39Å; F33-I214 HydrophobicContact CZ-CG2 4.25Å; L61-I214 HydrophobicContact CD1-CD1 3.68Å; L64-I214 HydrophobicContact CB-CD1 3.75Å; L64-I214 HydrophobicContact CB-CG2 4.44Å; L64-I214 HydrophobicContact CD1-CD1 4.38Å; L64-I214 WeakPolarHBondContact O-CG2 3.49Å; I65-I214 HydrophobicContact CG2-CD1 4.08Å; I65-I214 HydrophobicContact CG2-CG1 4.48Å; L68-I214 HydrophobicContact CD1-CG2 3.52Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.46Å; L210-I214 PolarHBondContact O-N 3.44Å; H211-I214 PolarHBondContact O-N 3.46Å; T212-I214 VanDerWaalsContact C-N 3.35Å; T212-I214 PolarHBondContact O-N 3.07Å; I214-N217 PolarHBondContact O-N 2.87Å; I214-F218 WeakPolarHBondContact O-CB 3.49Å; I214-F218 PolarHBondContact O-N 2.98Å
215V89.1Confident86.6Confident0 Ų018.9 Ų18.90%010%0.101CC..Hα-helixtrans-66.8-43.5177.9173.70000112.2I29 F33 W36 H211 T212 V213 N217 F218 L219I29-V215 HydrophobicContact CD1-CG1 3.73Å; I29-V215 HydrophobicContact CG1-CG1 3.94Å; I29-V215 HydrophobicContact CG2-CG1 3.91Å; I29-V215 HydrophobicContact CG2-CG2 3.73Å; F33-V215 HydrophobicContact CB-CG2 4.34Å; F33-V215 HydrophobicContact CD2-CG2 3.86Å; F33-V215 HydrophobicContact CE2-CG2 4.37Å; F33-V215 HydrophobicContact CG-CG2 4.08Å; W36-V215 HydrophobicContact CE3-CB 4.3Å; W36-V215 HydrophobicContact CE3-CG1 4.01Å; W36-V215 HydrophobicContact CE3-CG2 3.96Å; W36-V215 HydrophobicContact CH2-CB 4.16Å; W36-V215 HydrophobicContact CH2-CG1 3.73Å; W36-V215 HydrophobicContact CZ2-CG1 4.5Å; W36-V215 HydrophobicContact CZ3-CB 3.59Å; W36-V215 HydrophobicContact CZ3-CG1 3.45Å; W36-V215 VanDerWaalsContact CZ3-CG1 3.45Å; W36-V215 HydrophobicContact CZ3-CG2 3.66Å; H211-V215 WeakPolarHBondContact O-CG2 3.44Å; H211-V215 PolarHBondContact O-N 3.04Å; T212-V215 PolarHBondContact O-N 2.83Å; V213-V215 VanDerWaalsContact C-N 3.34Å; V213-V215 PolarHBondContact O-N 2.66Å; V215-N217 VanDerWaalsContact C-N 3.33Å; V215-N217 PolarHBondContact O-N 3.27Å; V215-F218 PolarHBondContact O-N 3.39Å; V215-L219 HydrophobicContact CG1-CD1 4.24Å; V215-L219 HydrophobicContact CG1-CG 4.49Å; V215-L219 WeakPolarHBondContact O-CG 3.48Å; V215-L219 PolarHBondContact O-N 2.83Å
216I86.1Confident86.3Confident3 Ų316.6 Ų16.62%0.0159%0.085CC..Hα-helixtrans-58.3-48175.8-72.1168.2000110.2I107 F110 V127 Y131 T212 V213 F218 L219 Y220 F236I107-I216 HydrophobicContact CG2-CD1 4.01Å; F110-I216 HydrophobicContact CD1-CG1 3.96Å; F110-I216 HydrophobicContact CE1-CB 4.45Å; F110-I216 HydrophobicContact CE1-CG1 3.61Å; F110-I216 HydrophobicContact CZ-CG1 4.38Å; V127-I216 HydrophobicContact CG1-CD1 3.79Å; V127-I216 HydrophobicContact CG2-CD1 4.3Å; Y131-I216 WeakPolarHBondContact OH-CG2 3Å; T212-I216 HydrophobicContact CG2-CD1 3.83Å; T212-I216 HydrophobicContact CG2-CG1 4.42Å; T212-I216 WeakPolarHBondContact O-CB 3.46Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 3.37Å; T212-I216 PolarHBondContact O-N 2.86Å; V213-I216 PolarHBondContact O-N 3.43Å; I216-F218 VanDerWaalsContact C-N 3.34Å; I216-F218 PolarHBondContact O-N 3.07Å; I216-L219 PolarHBondContact O-N 2.73Å; I216-Y220 WeakPolarHBondContact O-CB 3.45Å; I216-Y220 PolarHBondContact O-N 2.91Å; I216-F236 HydrophobicContact CG2-CE2 4.48Å
217N87.5Confident85.4Confident8 Ų818.1 Ų18.14%0.0439%0.092CC..Hα-helixtrans-61.8-42.1178.7-72.4-17.7000111.9L68 Y95 Y131 V213 I214 V215 Y220 N221L68-N217 HydrophobicContact CD2-CB 3.45Å; L68-N217 VanDerWaalsContact CD2-CB 3.45Å; Y95-N217 WeakPolarHBondContact CD2-OD1 3.49Å; Y95-N217 VanDerWaalsContact CE2-OD1 3.29Å; Y95-N217 WeakPolarHBondContact CE2-OD1 3.33Å; Y131-N217 PolarHBondContact OH-OD1 3.05Å; V213-N217 WeakPolarHBondContact CG1-ND2 3.41Å; V213-N217 WeakPolarHBondContact O-CB 3.34Å; V213-N217 PolarHBondContact O-N 3.12Å; V213-N217 PolarHBondContact O-ND2 2.79Å; I214-N217 PolarHBondContact O-N 2.87Å; V215-N217 VanDerWaalsContact C-N 3.33Å; V215-N217 PolarHBondContact O-N 3.27Å; N217-Y220 PolarHBondContact O-N 3.28Å; N217-N221 VanDerWaalsContact O-CG 3.28Å; N217-N221 PolarHBondContact O-N 3.43Å; N217-N221 PolarHBondContact O-ND2 2.97Å
218F91.3Very high84.3Confident0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-60.1-47.8176.5175.8-95.5000112L28 L32 F33 P67 L68 Q71 I214 V215 I216 N221 M222 Y348L28-F218 HydrophobicContact CD2-CE1 3.94Å; L28-F218 HydrophobicContact CD2-CZ 4.11Å; L28-F218 HydrophobicContact CG-CE1 4.3Å; L28-F218 HydrophobicContact CG-CZ 4.44Å; L32-F218 HydrophobicContact CD1-CE1 4.04Å; L32-F218 HydrophobicContact CD1-CE2 3.58Å; L32-F218 HydrophobicContact CD1-CZ 3.29Å; F33-F218 HydrophobicContact CE2-CB 3.94Å; F33-F218 AromaticContact CE2-CD1 3.8Å; F33-F218 HydrophobicContact CE2-CD1 3.8Å; F33-F218 HydrophobicContact CE2-CD2 4.02Å; F33-F218 HydrophobicContact CE2-CE1 4.33Å; F33-F218 AromaticContact CE2-CG 3.64Å; F33-F218 HydrophobicContact CE2-CG 3.64Å; F33-F218 HydrophobicContact CZ-CB 3.59Å; F33-F218 HydrophobicContact CZ-CD1 4.16Å; F33-F218 AromaticContact CZ-CD2 3.58Å; F33-F218 HydrophobicContact CZ-CD2 3.58Å; F33-F218 HydrophobicContact CZ-CE2 4.3Å; F33-F218 AromaticContact CZ-CG 3.5Å; F33-F218 HydrophobicContact CZ-CG 3.5Å; P67-F218 HydrophobicContact CB-CD2 4.32Å; P67-F218 HydrophobicContact CB-CE2 4.28Å; L68-F218 HydrophobicContact CD1-CB 4.17Å; L68-F218 HydrophobicContact CG-CB 4.19Å; Q71-F218 VanDerWaalsContact CD-CE2 3.41Å; Q71-F218 HydrophobicContact CG-CD2 4.08Å; Q71-F218 HydrophobicContact CG-CE2 3.9Å; Q71-F218 PolarHBondContact NE2-O 3.47Å; Q71-F218 VanDerWaalsContact OE1-CD2 3.23Å; Q71-F218 PolarHBondContact OE1-O 3.05Å; I214-F218 WeakPolarHBondContact O-CB 3.49Å; I214-F218 PolarHBondContact O-N 2.98Å; V215-F218 PolarHBondContact O-N 3.39Å; I216-F218 VanDerWaalsContact C-N 3.34Å; I216-F218 PolarHBondContact O-N 3.07Å; F218-N221 WeakPolarHBondContact O-CB 3.34Å; F218-N221 PolarHBondContact O-N 3.13Å; F218-M222 HydrophobicContact CD1-SD 4.31Å; F218-M222 HydrophobicContact CE1-CG 4.38Å; F218-M222 HydrophobicContact CE1-SD 3.47Å; F218-M222 WeakPolarHBondContact CE1-SD 3.44Å; F218-M222 HydrophobicContact CZ-CG 4.5Å; F218-M222 HydrophobicContact CZ-SD 3.6Å; F218-M222 PolarHBondContact O-N 3.48Å; F218-Y348 AromaticContact CE2-CD2 3.56Å; F218-Y348 HydrophobicContact CE2-CD2 3.56Å; F218-Y348 AromaticContact CE2-CE2 3.78Å; F218-Y348 HydrophobicContact CE2-CE2 3.78Å; F218-Y348 HydrophobicContact CE2-CG 4.41Å; F218-Y348 AromaticContact CZ-CD2 3.83Å; F218-Y348 HydrophobicContact CZ-CD2 3.83Å; F218-Y348 HydrophobicContact CZ-CE2 4.43Å; F218-Y348 HydrophobicContact CZ-CG 4.28Å
219L87Confident83.2Confident1 Ų117.4 Ų17.41%0.0059%0.091CC..Hα-helixtrans-69.3-36.3179.3-68.6-178.3000112.3I25 I29 F110 L114 V215 I216 N221 M222 R223 L226 F235I25-L219 HydrophobicContact CG2-CD1 4.32Å; I25-L219 HydrophobicContact CG2-CD2 3.83Å; I29-L219 HydrophobicContact CD1-CD1 3.98Å; F110-L219 HydrophobicContact CE1-CD1 4.15Å; F110-L219 HydrophobicContact CE2-CB 4.48Å; F110-L219 HydrophobicContact CE2-CD1 4.28Å; F110-L219 HydrophobicContact CZ-CB 3.96Å; F110-L219 HydrophobicContact CZ-CD1 3.42Å; F110-L219 VanDerWaalsContact CZ-CD1 3.42Å; F110-L219 HydrophobicContact CZ-CG 4.31Å; L114-L219 HydrophobicContact CD1-CD1 3.55Å; L114-L219 HydrophobicContact CD2-CD1 4.32Å; V215-L219 HydrophobicContact CG1-CD1 4.24Å; V215-L219 HydrophobicContact CG1-CG 4.49Å; V215-L219 WeakPolarHBondContact O-CG 3.48Å; V215-L219 PolarHBondContact O-N 2.83Å; I216-L219 PolarHBondContact O-N 2.73Å; L219-N221 VanDerWaalsContact C-N 3.29Å; L219-N221 PolarHBondContact O-N 3.32Å; L219-M222 CarbonylContact O-C 2.98Å; L219-M222 WeakPolarHBondContact O-CA 3.34Å; L219-M222 PolarHBondContact O-N 2.81Å; L219-R223 PolarHBondContact O-N 3.21Å; L219-R223 VanDerWaalsContact O-N 3.11Å; L219-L226 HydrophobicContact CB-CD1 3.98Å; L219-L226 HydrophobicContact CD2-CD1 3.99Å; L219-L226 VanDerWaalsContact O-CD1 3.32Å; L219-L226 WeakPolarHBondContact O-CD1 3.32Å; L219-F235 HydrophobicContact CB-CE1 4.35Å; L219-F235 HydrophobicContact CB-CZ 4.28Å; L219-F235 WeakPolarHBondContact O-CZ 3.49Å
220Y82.5Confident82.1Confident7 Ų716.4 Ų16.43%0.0279%0.086CC..Hα-helixtrans-60.3-39.1173.1176.4-101.6000112.7Y95 P96 I216 N217 M222 R223 F235 D237Y95-Y220 HydrophobicContact CD2-CD1 4.44Å; Y95-Y220 AromaticContact CE2-CD1 3.46Å; Y95-Y220 HydrophobicContact CE2-CD1 3.46Å; Y95-Y220 VanDerWaalsContact CE2-CD1 3.46Å; Y95-Y220 HydrophobicContact CE2-CD2 4.41Å; Y95-Y220 AromaticContact CE2-CE1 3.91Å; Y95-Y220 HydrophobicContact CE2-CE1 3.91Å; Y95-Y220 AromaticContact CE2-CG 3.73Å; Y95-Y220 HydrophobicContact CE2-CG 3.73Å; Y95-Y220 AromaticContact CZ-CD1 3.66Å; Y95-Y220 AromaticContact CZ-CD2 3.78Å; Y95-Y220 AromaticContact CZ-CE1 3.96Å; Y95-Y220 AromaticContact CZ-CG 3.54Å; Y95-Y220 WeakPolarHBondContact OH-CB 3.04Å; Y95-Y220 WeakPolarHBondContact OH-CD2 3.15Å; P96-Y220 WeakPolarHBondContact CG-OH 3.23Å; I216-Y220 WeakPolarHBondContact O-CB 3.45Å; I216-Y220 PolarHBondContact O-N 2.91Å; N217-Y220 PolarHBondContact O-N 3.28Å; Y220-M222 PolarHBondContact O-N 3.21Å; Y220-R223 VanDerWaalsContact O-CB 3.23Å; Y220-R223 WeakPolarHBondContact O-CB 3.35Å; Y220-R223 VanDerWaalsContact O-CD 3.31Å; Y220-R223 WeakPolarHBondContact O-CD 3.46Å; Y220-R223 WeakPolarHBondContact O-CG 3.26Å; Y220-R223 PolarHBondContact O-N 2.86Å; Y220-R223 VanDerWaalsContact O-N 3.09Å; Y220-R223 PolarHBondContact O-NH1 2.89Å; Y220-F235 HydrophobicContact CD2-CB 3.75Å; Y220-F235 AromaticContact CD2-CD1 3.68Å; Y220-F235 HydrophobicContact CD2-CD1 3.68Å; Y220-F235 AromaticContact CD2-CG 3.89Å; Y220-F235 HydrophobicContact CD2-CG 3.89Å; Y220-F235 HydrophobicContact CE2-CB 4Å; Y220-F235 HydrophobicContact CG-CD1 4.35Å; Y220-D237 PolarHBondContact OH-OD2 3.4Å; Y220-D237 VanDerWaalsContact OH-OD2 3.04Å
221N83.2Confident80.6Confident21 Ų2119.1 Ų19.111%0.11211%0.114CC..Hα-helixtrans-65.2-27.8173.3-70.6-25.6000112Q71 N72 N217 F218 L219Q71-N221 HydrophobicContact CB-CB 4.49Å; Q71-N221 VanDerWaalsContact OE1-CB 3.31Å; Q71-N221 PolarHBondContact OE1-ND2 2.98Å; Q71-N221 VanDerWaalsContact OE1-ND2 3.12Å; N72-N221 PolarHBondContact ND2-ND2 2.99Å; N72-N221 PolarHBondContact ND2-OD1 2.93Å; N217-N221 VanDerWaalsContact O-CG 3.28Å; N217-N221 PolarHBondContact O-N 3.43Å; N217-N221 PolarHBondContact O-ND2 2.97Å; F218-N221 WeakPolarHBondContact O-CB 3.34Å; F218-N221 PolarHBondContact O-N 3.13Å; L219-N221 VanDerWaalsContact C-N 3.29Å; L219-N221 PolarHBondContact O-N 3.32Å
222M85Confident79.1Confident1 Ų124.3 Ų24.31%0.00514%0.138CC..THydrogen-bonded Turntrans-86.75.7172.3-58.8-166.578.600114.3L28 F218 L219 Y220 S224 T225 L226 A347L28-M222 HydrophobicContact CD2-SD 4.14Å; F218-M222 HydrophobicContact CD1-SD 4.31Å; F218-M222 HydrophobicContact CE1-CG 4.38Å; F218-M222 HydrophobicContact CE1-SD 3.47Å; F218-M222 WeakPolarHBondContact CE1-SD 3.44Å; F218-M222 HydrophobicContact CZ-CG 4.5Å; F218-M222 HydrophobicContact CZ-SD 3.6Å; F218-M222 PolarHBondContact O-N 3.48Å; L219-M222 CarbonylContact O-C 2.98Å; L219-M222 WeakPolarHBondContact O-CA 3.34Å; L219-M222 PolarHBondContact O-N 2.81Å; Y220-M222 PolarHBondContact O-N 3.21Å; M222-S224 VanDerWaalsContact C-N 3.27Å; M222-S224 PolarHBondContact O-N 2.68Å; M222-S224 VanDerWaalsContact O-N 3.09Å; M222-T225 HydrophobicContact CE-CG2 4.5Å; M222-T225 WeakPolarHBondContact O-CA 3.48Å; M222-T225 WeakPolarHBondContact O-CB 3.41Å; M222-T225 PolarHBondContact O-N 3.42Å; M222-L226 HydrophobicContact CB-CD1 4.02Å; M222-L226 HydrophobicContact CB-CG 4.04Å; M222-L226 WeakPolarHBondContact O-CG 3.49Å; M222-L226 PolarHBondContact O-N 3.1Å; M222-A347 HydrophobicContact CE-CB 4.07Å
223R78.6Confident77.6Confident73 Ų7324.5 Ų24.528%0.27514%0.139SC..Hα-helixtrans-54.7-35.6-171.570.5-167.3176.2-67-3.5114.8L219 Y220 T225 L226 N227 F235 D237L219-R223 PolarHBondContact O-N 3.21Å; L219-R223 VanDerWaalsContact O-N 3.11Å; Y220-R223 VanDerWaalsContact O-CB 3.23Å; Y220-R223 WeakPolarHBondContact O-CB 3.35Å; Y220-R223 VanDerWaalsContact O-CD 3.31Å; Y220-R223 WeakPolarHBondContact O-CD 3.46Å; Y220-R223 WeakPolarHBondContact O-CG 3.26Å; Y220-R223 PolarHBondContact O-N 2.86Å; Y220-R223 VanDerWaalsContact O-N 3.09Å; Y220-R223 PolarHBondContact O-NH1 2.89Å; R223-T225 VanDerWaalsContact C-N 3.32Å; R223-T225 PolarHBondContact O-N 2.94Å; R223-L226 PolarHBondContact O-N 3.07Å; R223-N227 WeakPolarHBondContact O-CB 3.07Å; R223-N227 PolarHBondContact O-N 3.26Å; R223-N227 PolarHBondContact O-ND2 2.92Å; R223-N227 PolarHBondContact O-OD1 2.87Å; R223-F235 HydrophobicContact CB-CD2 3.33Å; R223-F235 HydrophobicContact CB-CE2 3.49Å; R223-F235 VanDerWaalsContact CB-CE2 3.49Å; R223-F235 HydrophobicContact CB-CG 3.98Å; R223-F235 HydrophobicContact CB-CZ 4.26Å; R223-D237 IonicContact NE-OD2 2.68Å
224S75.3Confident76.2Confident86 Ų8631 Ų3160%0.60117%0.169SC*.Hα-helixtrans-62.8-41176.555.10000112M222M222-S224 VanDerWaalsContact C-N 3.27Å; M222-S224 PolarHBondContact O-N 2.68Å; M222-S224 VanDerWaalsContact O-N 3.09Å
225T80.8Confident74.6Confident17 Ų1731.6 Ų31.610%0.10417%0.172CC..Hα-helixtrans-71.7-40.7176.7-57.70000111M222 R223 Y229 Y343 F344 A347M222-T225 HydrophobicContact CE-CG2 4.5Å; M222-T225 WeakPolarHBondContact O-CA 3.48Å; M222-T225 WeakPolarHBondContact O-CB 3.41Å; M222-T225 PolarHBondContact O-N 3.42Å; R223-T225 VanDerWaalsContact C-N 3.32Å; R223-T225 PolarHBondContact O-N 2.94Å; T225-Y229 VanDerWaalsContact O-CD2 3.23Å; T225-Y229 WeakPolarHBondContact O-CD2 3.06Å; T225-Y343 HydrophobicContact CG2-CD1 4.43Å; T225-Y343 HydrophobicContact CG2-CE1 3.42Å; T225-Y343 VanDerWaalsContact CG2-CE1 3.42Å; T225-F344 HydrophobicContact CG2-CD1 4.34Å; T225-A347 HydrophobicContact CG2-CB 3.93Å
226L80.3Confident73.1Confident2 Ų233.3 Ų33.31%0.0118%0.179CC..Hα-helixtrans-71.3-42.6-179.7-65.2173.8000112.1I25 L219 M222 R223 Q228 Y229 F230 F235 F344I25-L226 HydrophobicContact CD1-CD2 3.46Å; I25-L226 VanDerWaalsContact CD1-CD2 3.46Å; I25-L226 HydrophobicContact CG1-CD2 4.11Å; L219-L226 HydrophobicContact CB-CD1 3.98Å; L219-L226 HydrophobicContact CD2-CD1 3.99Å; L219-L226 VanDerWaalsContact O-CD1 3.32Å; L219-L226 WeakPolarHBondContact O-CD1 3.32Å; M222-L226 HydrophobicContact CB-CD1 4.02Å; M222-L226 HydrophobicContact CB-CG 4.04Å; M222-L226 WeakPolarHBondContact O-CG 3.49Å; M222-L226 PolarHBondContact O-N 3.1Å; R223-L226 PolarHBondContact O-N 3.07Å; L226-Q228 PolarHBondContact O-N 3.32Å; L226-Y229 CarbonylContact O-C 3.37Å; L226-Y229 WeakPolarHBondContact O-CA 3.41Å; L226-Y229 PolarHBondContact O-N 3.29Å; L226-F230 HydrophobicContact CD2-CD2 4.41Å; L226-F230 HydrophobicContact CD2-CE2 4.42Å; L226-F230 WeakPolarHBondContact O-CD2 3.07Å; L226-F230 PolarHBondContact O-N 3.43Å; L226-F235 HydrophobicContact CB-CE2 4.42Å; L226-F235 HydrophobicContact CD1-CE2 4.12Å; L226-F235 HydrophobicContact CD1-CZ 3.75Å; L226-F344 HydrophobicContact CD2-CD1 4.13Å; L226-F344 HydrophobicContact CD2-CE1 3.83Å
227N70.9Confident71.5Confident40 Ų4035.3 Ų35.321%0.21419%0.19CC..Hα-helixtrans-64.5-25-177.4-70.1-4.4000112.9R223 Y229 F233 L242R223-N227 WeakPolarHBondContact O-CB 3.07Å; R223-N227 PolarHBondContact O-N 3.26Å; R223-N227 PolarHBondContact O-ND2 2.92Å; R223-N227 PolarHBondContact O-OD1 2.87Å; N227-Y229 PolarHBondContact O-N 3.32Å; N227-F233 PolarHBondContact OD1-O 2.69Å; N227-L242 WeakPolarHBondContact ND2-CD1 3.21Å; N227-L242 VanDerWaalsContact ND2-CD2 3.25Å; N227-L242 WeakPolarHBondContact ND2-CD2 3.5Å
228Q66.6Low69.8Low60 Ų6039.1 Ų39.128%0.2821%0.21SC..THydrogen-bonded Turntrans-59.7-27.8170.7-175.5176.513.900112.1L226 P246L226-Q228 PolarHBondContact O-N 3.32Å; Q228-P246 HydrophobicContact CG-CB 4.4Å
229Y64.5Low67.9Low17 Ų1743.2 Ų43.27%0.06724%0.237CC..THydrogen-bonded Turntrans-115.6-26-171.3-66.2-55.9000113.1N13 S14 R21 T225 L226 N227 Y343 F344N13-Y229 WeakPolarHBondContact ND2-CD2 3.38Å; N13-Y229 WeakPolarHBondContact ND2-CE2 3.18Å; S14-Y229 VanDerWaalsContact CA-CE1 3.42Å; R21-Y229 VanDerWaalsContact NH1-C 3.31Å; R21-Y229 PolarHBondContact NH1-O 3.47Å; R21-Y229 PolarHBondContact NH2-O 2.97Å; T225-Y229 VanDerWaalsContact O-CD2 3.23Å; T225-Y229 WeakPolarHBondContact O-CD2 3.06Å; L226-Y229 CarbonylContact O-C 3.37Å; L226-Y229 WeakPolarHBondContact O-CA 3.41Å; L226-Y229 PolarHBondContact O-N 3.29Å; N227-Y229 PolarHBondContact O-N 3.32Å; Y229-Y343 HydrophobicContact CD2-CE1 4.17Å; Y229-Y343 AromaticContact CE2-CD1 3.93Å; Y229-Y343 HydrophobicContact CE2-CD1 3.93Å; Y229-Y343 AromaticContact CE2-CE1 3.38Å; Y229-Y343 HydrophobicContact CE2-CE1 3.38Å; Y229-F344 HydrophobicContact CD2-CE1 4.21Å; Y229-F344 HydrophobicContact CD2-CZ 4.33Å
230F66.4Low66.1Low4 Ų450.7 Ų50.72%0.01827%0.269CS..  trans-131.795-176.2-56.6-81000110.6T18 R21 K22 I25 L226 E232 F233 F344T18-F230 HydrophobicContact CG2-CD1 3.75Å; T18-F230 HydrophobicContact CG2-CE1 3.64Å; R21-F230 HydrophobicContact CB-CE1 4Å; R21-F230 HydrophobicContact CB-CE2 4.08Å; R21-F230 HydrophobicContact CB-CZ 3.3Å; K22-F230 HydrophobicContact CG-CD1 4.47Å; K22-F230 HydrophobicContact CG-CE1 3.65Å; K22-F230 HydrophobicContact CG-CZ 4.14Å; I25-F230 HydrophobicContact CD1-CD2 4.15Å; I25-F230 HydrophobicContact CD1-CE2 3.3Å; I25-F230 HydrophobicContact CD1-CZ 3.64Å; L226-F230 HydrophobicContact CD2-CD2 4.41Å; L226-F230 HydrophobicContact CD2-CE2 4.42Å; L226-F230 WeakPolarHBondContact O-CD2 3.07Å; L226-F230 PolarHBondContact O-N 3.43Å; F230-E232 PolarHBondContact O-N 2.89Å; F230-F233 HydrophobicContact CB-CB 4.38Å; F230-F233 HydrophobicContact CB-CD2 3.52Å; F230-F233 HydrophobicContact CB-CE2 4.33Å; F230-F233 HydrophobicContact CB-CG 4.41Å; F230-F233 HydrophobicContact CD1-CD2 4.36Å; F230-F233 HydrophobicContact CD1-CE2 4.36Å; F230-F233 HydrophobicContact CD2-CD2 4.23Å; F230-F233 AromaticContact CG-CD2 3.79Å; F230-F233 HydrophobicContact CG-CD2 3.79Å; F230-F233 HydrophobicContact CG-CE2 4.15Å; F230-F233 PolarHBondContact O-N 2.94Å; F230-F344 HydrophobicContact CE2-CE1 4.43Å; F230-F344 AromaticContact CE2-CZ 3.85Å; F230-F344 HydrophobicContact CE2-CZ 3.85Å
231G60.2Low64.6Low57 Ų5756.9 Ų56.959%0.58830%0.302SS*.THydrogen-bonded Turntrans-61.3-22.1169.800000113.1H234G231-H234 PolarHBondContact O-CE1 3Å; G231-H234 VanDerWaalsContact O-CE1 3.31Å; G231-H234 PolarHBondContact O-NE2 3.32Å
232E57.1Low63.1Low113 Ų11359.2 Ų59.253%0.52831%0.314SS..THydrogen-bonded Turntrans-75.9-19-178.2-62.5174.3177.600114K22 F230 H234K22-E232 IonicContact NZ-OE2 2.65Å; K22-E232 PolarHBondContact NZ-OE2 3.3Å; K22-E232 VanDerWaalsContact NZ-OE2 3.12Å; F230-E232 PolarHBondContact O-N 2.89Å; E232-H234 PolarHBondContact O-N 3.15Å
233F58.3Low61.3Low4 Ų467.1 Ų67.12%0.01835%0.351CS..  trans-81.471.7175.1-84-72.5000109.6F110 N113 L114 N227 F230 F235F110-F233 AromaticContact CD2-CD1 3.42Å; F110-F233 HydrophobicContact CD2-CD1 3.42Å; F110-F233 VanDerWaalsContact CD2-CD1 3.42Å; F110-F233 AromaticContact CD2-CE1 3.37Å; F110-F233 HydrophobicContact CD2-CE1 3.37Å; F110-F233 AromaticContact CE2-CD1 3.4Å; F110-F233 HydrophobicContact CE2-CD1 3.4Å; F110-F233 VanDerWaalsContact CE2-CD1 3.4Å; F110-F233 AromaticContact CE2-CE1 3.29Å; F110-F233 HydrophobicContact CE2-CE1 3.29Å; F110-F233 HydrophobicContact CG-CE1 4.19Å; F110-F233 HydrophobicContact CZ-CE1 4.09Å; N113-F233 HydrophobicContact CB-CE1 4.27Å; N113-F233 HydrophobicContact CB-CZ 4.08Å; L114-F233 HydrophobicContact CD2-CE1 4.35Å; L114-F233 HydrophobicContact CD2-CZ 3.66Å; L114-F233 HydrophobicContact CG-CE1 4.19Å; L114-F233 HydrophobicContact CG-CZ 3.91Å; N227-F233 PolarHBondContact OD1-O 2.69Å; F230-F233 HydrophobicContact CB-CB 4.38Å; F230-F233 HydrophobicContact CB-CD2 3.52Å; F230-F233 HydrophobicContact CB-CE2 4.33Å; F230-F233 HydrophobicContact CB-CG 4.41Å; F230-F233 HydrophobicContact CD1-CD2 4.36Å; F230-F233 HydrophobicContact CD1-CE2 4.36Å; F230-F233 HydrophobicContact CD2-CD2 4.23Å; F230-F233 AromaticContact CG-CD2 3.79Å; F230-F233 HydrophobicContact CG-CD2 3.79Å; F230-F233 HydrophobicContact CG-CE2 4.15Å; F230-F233 PolarHBondContact O-N 2.94Å; F233-F235 VanDerWaalsContact C-N 3.3Å; F233-F235 HydrophobicContact CB-CD2 4.29Å; F233-F235 HydrophobicContact CB-CE2 3.77Å; F233-F235 HydrophobicContact CB-CZ 4.27Å; F233-F235 HydrophobicContact CD1-CZ 4.3Å; F233-F235 HydrophobicContact CG-CE2 4.45Å; F233-F235 HydrophobicContact CG-CZ 4.5Å; F233-F235 VanDerWaalsContact O-CD2 3.32Å; F233-F235 WeakPolarHBondContact O-CD2 3.45Å; F233-F235 PolarHBondContact O-N 3.47Å
234H57.7Low60.1Low135 Ų13572.8 Ų72.863%0.62538%0.378SS*.  trans-72.290.9166.1-67.9-50000109G231 E232G231-H234 PolarHBondContact O-CE1 3Å; G231-H234 VanDerWaalsContact O-CE1 3.31Å; G231-H234 PolarHBondContact O-NE2 3.32Å; E232-H234 PolarHBondContact O-N 3.15Å
235F59.1Low58.9Low15 Ų1574.5 Ų74.57%0.06639%0.385CS..  trans-64.2158.3163.6-66.1-77.7000110F110 L219 Y220 R223 L226 F233 D237F110-F235 HydrophobicContact CD2-CE1 4.34Å; F110-F235 HydrophobicContact CE2-CD1 4.46Å; F110-F235 AromaticContact CE2-CE1 3.59Å; F110-F235 HydrophobicContact CE2-CE1 3.59Å; F110-F235 HydrophobicContact CE2-CZ 4.02Å; F110-F235 HydrophobicContact CZ-CE1 4.37Å; L219-F235 HydrophobicContact CB-CE1 4.35Å; L219-F235 HydrophobicContact CB-CZ 4.28Å; L219-F235 WeakPolarHBondContact O-CZ 3.49Å; Y220-F235 HydrophobicContact CD2-CB 3.75Å; Y220-F235 AromaticContact CD2-CD1 3.68Å; Y220-F235 HydrophobicContact CD2-CD1 3.68Å; Y220-F235 AromaticContact CD2-CG 3.89Å; Y220-F235 HydrophobicContact CD2-CG 3.89Å; Y220-F235 HydrophobicContact CE2-CB 4Å; Y220-F235 HydrophobicContact CG-CD1 4.35Å; R223-F235 HydrophobicContact CB-CD2 3.33Å; R223-F235 HydrophobicContact CB-CE2 3.49Å; R223-F235 VanDerWaalsContact CB-CE2 3.49Å; R223-F235 HydrophobicContact CB-CG 3.98Å; R223-F235 HydrophobicContact CB-CZ 4.26Å; L226-F235 HydrophobicContact CB-CE2 4.42Å; L226-F235 HydrophobicContact CD1-CE2 4.12Å; L226-F235 HydrophobicContact CD1-CZ 3.75Å; F233-F235 VanDerWaalsContact C-N 3.3Å; F233-F235 HydrophobicContact CB-CD2 4.29Å; F233-F235 HydrophobicContact CB-CE2 3.77Å; F233-F235 HydrophobicContact CB-CZ 4.27Å; F233-F235 HydrophobicContact CD1-CZ 4.3Å; F233-F235 HydrophobicContact CG-CE2 4.45Å; F233-F235 HydrophobicContact CG-CZ 4.5Å; F233-F235 VanDerWaalsContact O-CD2 3.32Å; F233-F235 WeakPolarHBondContact O-CD2 3.45Å; F233-F235 PolarHBondContact O-N 3.47Å; F235-D237 PolarHBondContact O-N 2.95Å
236F55.8Low57.6Low35 Ų3578.5 Ų78.515%0.15441%0.411CS..SBendtrans-54.36.7-169.5-50.2-80.9000117.9Y95 I103 Q106 I107 I216Y95-F236 AromaticContact CE1-CD2 3.53Å; Y95-F236 HydrophobicContact CE1-CD2 3.53Å; Y95-F236 AromaticContact CE1-CE2 3.84Å; Y95-F236 HydrophobicContact CE1-CE2 3.84Å; Y95-F236 HydrophobicContact CE1-CG 4.44Å; Y95-F236 AromaticContact CZ-CD2 3.94Å; Y95-F236 WeakPolarHBondContact OH-CD2 3.32Å; Y95-F236 WeakPolarHBondContact OH-CE2 3.43Å; I103-F236 HydrophobicContact CB-CD1 4.48Å; I103-F236 HydrophobicContact CB-CE1 4.33Å; I103-F236 HydrophobicContact CD1-CD1 4.31Å; I103-F236 HydrophobicContact CG1-CD1 4.11Å; I103-F236 HydrophobicContact CG1-CE1 4.45Å; I103-F236 HydrophobicContact CG2-CD1 4.07Å; I103-F236 HydrophobicContact CG2-CE1 3.62Å; I103-F236 HydrophobicContact CG2-CZ 4.43Å; Q106-F236 HydrophobicContact CB-CD1 4.27Å; Q106-F236 HydrophobicContact CB-CE1 3.91Å; Q106-F236 VanDerWaalsContact OE1-CD1 3.25Å; I107-F236 HydrophobicContact CD1-CZ 4.42Å; I107-F236 HydrophobicContact CG1-CE1 4.03Å; I107-F236 HydrophobicContact CG1-CZ 3.72Å; I216-F236 HydrophobicContact CG2-CE2 4.48Å
237D54Low57Low45 Ų4581.8 Ų81.824%0.24143%0.431CS..SBendtrans-98.2153.5-176.8-71.9-30.7000113.1Y220 R223 F235Y220-D237 PolarHBondContact OH-OD2 3.4Å; Y220-D237 VanDerWaalsContact OH-OD2 3.04Å; R223-D237 IonicContact NE-OD2 2.68Å; F235-D237 PolarHBondContact O-N 2.95Å
238N52.1Low57.6Low89 Ų8982 Ų8248%0.47644%0.436SS..  trans-60.3124.7172.7-170.9-18.6000109.6K240 L241N238-K240 PolarHBondContact O-N 2.72Å; N238-K240 PolarHBondContact OD1-N 3.28Å; N238-L241 HydrophobicContact CB-CD1 4.32Å; N238-L241 PolarHBondContact O-N 2.99Å
239P51.1Low58.7Low86 Ų8679.9 Ų79.956%0.55843%0.428SS*.G310 helixtrans-50.8-27.5178.2-2732.8000113.7L241 L242P239-L241 VanDerWaalsContact C-N 3.25Å; P239-L241 PolarHBondContact O-N 3.29Å; P239-L242 WeakPolarHBondContact O-CB 3.2Å; P239-L242 PolarHBondContact O-N 2.92Å
240K49.5Very low59.9Low158 Ų15883 Ų8369%0.68744%0.444SS*.G310 helixtrans-66.7-18177.1-65-174.4176.9-175.70114.9N238 L242N238-K240 PolarHBondContact O-N 2.72Å; N238-K240 PolarHBondContact OD1-N 3.28Å; K240-L242 VanDerWaalsContact C-N 3.29Å
241L50.7Low60.8Low136 Ų13686 Ų8671%0.71246%0.461SS*.G310 helixtrans-82.7-8.2175.4-71.9166.6000112.7N238 P239N238-L241 HydrophobicContact CB-CD1 4.32Å; N238-L241 PolarHBondContact O-N 2.99Å; P239-L241 VanDerWaalsContact C-N 3.25Å; P239-L241 PolarHBondContact O-N 3.29Å
242L51.1Low62.2Low71 Ų7184.1 Ų84.137%0.37244%0.436SS..G310 helixtrans-9210.3-177.1-69.9164.8000113.7N227 P239 K240 K244N227-L242 WeakPolarHBondContact ND2-CD1 3.21Å; N227-L242 VanDerWaalsContact ND2-CD2 3.25Å; N227-L242 WeakPolarHBondContact ND2-CD2 3.5Å; P239-L242 WeakPolarHBondContact O-CB 3.2Å; P239-L242 PolarHBondContact O-N 2.92Å; K240-L242 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 2.58Å
243E47.7Very low63.9Low166 Ų16679.3 Ų79.378%0.77642%0.415SS*.  trans-62.912.4-176.5-76.6-175177.600116.2T245E243-T245 PolarHBondContact O-N 2.93Å; E243-T245 VanDerWaalsContact O-N 3.09Å
244K52.9Low65.3Low193 Ų19384 Ų8484%0.83944%0.435SS*.SBendtrans-71.5109.3165.6-79.2-170.8174.8-174.30108.2L242L242-K244 PolarHBondContact O-N 2.58Å
245T50.6Low66.6Low122 Ų12282.7 Ų82.775%0.74843%0.43SS*.  trans-38.9132164.339.40000109.3E243 T247E243-T245 PolarHBondContact O-N 2.93Å; E243-T245 VanDerWaalsContact O-N 3.09Å; T245-T247 PolarHBondContact O-N 3.4Å
246P52.9Low68.1Low100 Ų10082.2 Ų82.265%0.64943%0.427SS*.PPolyproline II helixtrans-49.4120.8179.3-24.431.4000109.7Q228 S248Q228-P246 HydrophobicContact CG-CB 4.4Å; P246-S248 PolarHBondContact O-N 3.43Å
247T67.6Low69.9Low71 Ų7180.5 Ų80.544%0.43642%0.42SS..PPolyproline II helixtrans-58.1128174.1-40.80000107.2T245 D251 E252T245-T247 PolarHBondContact O-N 3.4Å; T247-D251 HydrophobicContact CG2-CB 3.47Å; T247-D251 VanDerWaalsContact CG2-CB 3.47Å; T247-E252 HydrophobicContact CG2-CG 4.11Å
248S82.8Confident71.6Confident45 Ų4579.9 Ų79.932%0.31542%0.416SS..PPolyproline II helixtrans-68.4153.1178.872.20000109.7P246 I250 D251 E252P246-S248 PolarHBondContact O-N 3.43Å; S248-I250 PolarHBondContact O-N 3.47Å; S248-I250 WeakPolarHBondContact OG-CG2 3.46Å; S248-D251 WeakPolarHBondContact CB-OD2 3.43Å; S248-D251 PolarHBondContact N-OD2 3.29Å; S248-D251 WeakPolarHBondContact O-CA 3.41Å; S248-D251 WeakPolarHBondContact O-CB 3.5Å; S248-D251 PolarHBondContact O-N 2.04Å; S248-D251 PolarHBondContact OG-N 3.27Å; S248-D251 PolarHBondContact OG-OD2 2.87Å; S248-E252 PolarHBondContact O-N 2.83Å
249C90.2Very high73.5Confident16 Ų1675.9 Ų75.911%0.10839%0.394CS..Hα-helixtrans-56.2-27.8176.9-65.20000112.5Y7 C10 T11 V253Y7-C249 HydrophobicContact CD2-CB 3.99Å; Y7-C249 HydrophobicContact CE2-CB 3.94Å; C10-C249 HydrophobicContact CB-CB 3.71Å; C10-C249 WeakPolarHBondContact CB-SG 3.29Å; C10-C249 WeakPolarHBondContact SG-CA 3.38Å; C10-C249 WeakPolarHBondContact SG-CB 3.49Å; C10-C249 CovalentContact SG-SG 2.04Å; C10-C249 PolarHBondContact SG-SG 3.25Å; T11-C249 HydrophobicContact CG2-CB 3.96Å; C249-V253 WeakPolarHBondContact O-CG2 3.37Å; C249-V253 PolarHBondContact O-N 3.49Å; C249-V253 VanDerWaalsContact O-N 3.15Å
250I90.1Very high75.5Confident82 Ų8273 Ų7342%0.42137%0.374SS..Hα-helixtrans-73-34.8175.8-167.571000111.8Y7 S248 V253 K254Y7-I250 HydrophobicContact CE2-CB 4.44Å; Y7-I250 HydrophobicContact CE2-CD1 4.5Å; S248-I250 PolarHBondContact O-N 3.47Å; S248-I250 WeakPolarHBondContact OG-CG2 3.46Å; I250-V253 PolarHBondContact O-N 3.33Å; I250-K254 VanDerWaalsContact O-CG 3.32Å; I250-K254 WeakPolarHBondContact O-CG 3.34Å; I250-K254 PolarHBondContact O-N 2.9Å
251D85.9Confident77.6Confident68 Ų6867 Ų6736%0.36435%0.35SS..Hα-helixtrans-69.6-38.5175.9-62.3-37.3000111.1T247 S248 V253 K254 E255T247-D251 HydrophobicContact CG2-CB 3.47Å; T247-D251 VanDerWaalsContact CG2-CB 3.47Å; S248-D251 WeakPolarHBondContact CB-OD2 3.43Å; S248-D251 PolarHBondContact N-OD2 3.29Å; S248-D251 WeakPolarHBondContact O-CA 3.41Å; S248-D251 WeakPolarHBondContact O-CB 3.5Å; S248-D251 PolarHBondContact O-N 2.04Å; S248-D251 PolarHBondContact OG-N 3.27Å; S248-D251 PolarHBondContact OG-OD2 2.87Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 2.91Å; D251-K254 PolarHBondContact O-N 3.28Å; D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 3.12Å
252E89.1Confident79.6Confident16 Ų1660.5 Ų60.58%0.07532%0.316CS..Hα-helixtrans-61.7-40.8172.1-66.7-177.9-134.200111.7Y6 T247 S248 E255 N256 Y343Y6-E252 HydrophobicContact CE1-CB 3.79Å; Y6-E252 PolarHBondContact OH-OE2 3.48Å; T247-E252 HydrophobicContact CG2-CG 4.11Å; S248-E252 PolarHBondContact O-N 2.83Å; E252-E255 PolarHBondContact O-N 3.41Å; E252-N256 WeakPolarHBondContact O-CB 3.31Å; E252-N256 VanDerWaalsContact O-CG 3.31Å; E252-N256 PolarHBondContact O-N 3.47Å; E252-N256 PolarHBondContact O-ND2 3.48Å; E252-Y343 VanDerWaalsContact CD-OH 3.29Å; E252-Y343 PolarHBondContact OE1-OH 3.42Å; E252-Y343 VanDerWaalsContact OE1-OH 3.08Å; E252-Y343 WeakPolarHBondContact OE2-CE2 3.47Å; E252-Y343 PolarHBondContact OE2-OH 3.44Å
253V92.4Very high81.6Confident12 Ų1262.3 Ų62.37%0.07332%0.318CS..Hα-helixtrans-67.3-40.2176.9173.90000111.2A3 Y6 Y7 C249 I250 D251 E255 N256 F257 I261A3-V253 HydrophobicContact CB-CG1 4.29Å; Y6-V253 HydrophobicContact CD1-CG2 3.93Å; Y7-V253 HydrophobicContact CD2-CG2 4.07Å; Y7-V253 HydrophobicContact CG-CG2 4.42Å; C249-V253 WeakPolarHBondContact O-CG2 3.37Å; C249-V253 PolarHBondContact O-N 3.49Å; C249-V253 VanDerWaalsContact O-N 3.15Å; I250-V253 PolarHBondContact O-N 3.33Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 2.91Å; V253-E255 VanDerWaalsContact C-N 3.33Å; V253-E255 PolarHBondContact O-N 3.28Å; V253-N256 PolarHBondContact O-N 2.71Å; V253-F257 HydrophobicContact CG1-CD2 4.11Å; V253-F257 WeakPolarHBondContact O-CB 3.28Å; V253-F257 PolarHBondContact O-N 3.05Å; V253-I261 HydrophobicContact CG1-CD1 4.25Å
254K88.2Confident83.7Confident103 Ų10359.9 Ų59.945%0.44831%0.31SS..Hα-helixtrans-59.4-42.9174.4-75.7172-179174.40112.4I250 D251 I261I250-K254 VanDerWaalsContact O-CG 3.32Å; I250-K254 WeakPolarHBondContact O-CG 3.34Å; I250-K254 PolarHBondContact O-N 2.9Å; D251-K254 PolarHBondContact O-N 3.28Å; K254-I261 VanDerWaalsContact CA-CD1 3.49Å; K254-I261 HydrophobicContact CB-CD1 4.29Å; K254-I261 HydrophobicContact CG-CD1 3.98Å
255E85.2Confident85.7Confident108 Ų10854 Ų5451%0.50529%0.285SS..Hα-helixtrans-70-40.4179.8-165.4-174.7-179.400112.1D251 E252 V253 K354D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 3.12Å; E252-E255 PolarHBondContact O-N 3.41Å; V253-E255 VanDerWaalsContact C-N 3.33Å; V253-E255 PolarHBondContact O-N 3.28Å; E255-K354 VanDerWaalsContact CD-CE 3.48Å; E255-K354 VanDerWaalsContact OE1-CE 3.23Å; E255-K354 WeakPolarHBondContact OE1-CE 3.2Å; E255-K354 IonicContact OE1-NZ 3.87Å; E255-K354 PolarHBondContact OE1-NZ 3.48Å; E255-K354 IonicContact OE2-NZ 2.72Å; E255-K354 PolarHBondContact OE2-NZ 3.15Å
256N90.1Very high87.7Confident4 Ų454.6 Ų54.62%0.02128%0.28CS..Hα-helixtrans-86.9-31.4-173.3-69.7-49.7000114.3Y6 E252 V253 S350Y6-N256 PolarHBondContact OH-ND2 3.48Å; E252-N256 WeakPolarHBondContact O-CB 3.31Å; E252-N256 VanDerWaalsContact O-CG 3.31Å; E252-N256 PolarHBondContact O-N 3.47Å; E252-N256 PolarHBondContact O-ND2 3.48Å; V253-N256 PolarHBondContact O-N 2.71Å; N256-S350 PolarHBondContact ND2-OG 3.48Å; N256-S350 VanDerWaalsContact OD1-CB 3.25Å; N256-S350 WeakPolarHBondContact OD1-CB 2.89Å; N256-S350 PolarHBondContact OD1-OG 3.37Å
257F93.6Very high89.6Confident0 Ų053.8 Ų53.80%026%0.264CS..  trans-118.437.2-173.7-60-84.5000111.7A2 A3 Y6 V253 W259 T260 I261 I333 F334 M338A2-F257 HydrophobicContact CB-CE1 3.81Å; A2-F257 HydrophobicContact CB-CZ 4.43Å; A3-F257 HydrophobicContact CB-CB 3.92Å; A3-F257 HydrophobicContact CB-CD1 3.78Å; A3-F257 HydrophobicContact CB-CD2 3.9Å; A3-F257 HydrophobicContact CB-CE1 4.29Å; A3-F257 HydrophobicContact CB-CE2 4.4Å; A3-F257 HydrophobicContact CB-CG 3.57Å; Y6-F257 HydrophobicContact CD1-CE2 4.34Å; Y6-F257 AromaticContact CD2-CE2 3.76Å; Y6-F257 HydrophobicContact CD2-CE2 3.76Å; Y6-F257 HydrophobicContact CD2-CZ 4.09Å; Y6-F257 AromaticContact CG-CE2 3.62Å; Y6-F257 HydrophobicContact CG-CE2 3.62Å; Y6-F257 HydrophobicContact CG-CZ 4.22Å; V253-F257 HydrophobicContact CG1-CD2 4.11Å; V253-F257 WeakPolarHBondContact O-CB 3.28Å; V253-F257 PolarHBondContact O-N 3.05Å; F257-W259 VanDerWaalsContact C-N 3.33Å; F257-W259 PolarHBondContact O-N 3.21Å; F257-T260 WeakPolarHBondContact O-CB 3.26Å; F257-T260 PolarHBondContact O-N 3.35Å; F257-T260 VanDerWaalsContact O-N 3.12Å; F257-I261 PolarHBondContact O-N 2.79Å; F257-I333 HydrophobicContact CD1-CG1 4.29Å; F257-I333 HydrophobicContact CD1-CG2 4.25Å; F257-I333 HydrophobicContact CE1-CG1 3.68Å; F257-I333 HydrophobicContact CE1-CG2 4.19Å; F257-I333 HydrophobicContact CZ-CG1 3.85Å; F257-F334 HydrophobicContact CD1-CZ 4.43Å; F257-M338 HydrophobicContact CE1-CG 4.48Å; F257-M338 HydrophobicContact CZ-CG 3.98Å; F257-M338 HydrophobicContact CZ-SD 4.4Å
258Q89.7Confident90.9Very high31 Ų3150.4 Ų50.415%0.14524%0.244CC..Hα-helixtrans-48.9-51.6-178.8-178.1-174.3-16.700111.8T260 I261 E262Q258-T260 PolarHBondContact O-N 2.72Å; Q258-I261 PolarHBondContact O-N 3Å; Q258-E262 WeakPolarHBondContact O-CB 3.49Å; Q258-E262 PolarHBondContact O-N 3.23Å
259W91.8Very high91.4Very high5 Ų551.5 Ų51.52%0.01925%0.251CS..Hα-helixtrans-70.1-31.7-177.4-61.6120.2000113.5F257 E262 R263 L322 A324 R327 E328 P369F257-W259 VanDerWaalsContact C-N 3.33Å; F257-W259 PolarHBondContact O-N 3.21Å; W259-E262 HydrophobicContact CE3-CB 4.34Å; W259-E262 HydrophobicContact CE3-CG 4.23Å; W259-E262 HydrophobicContact CZ3-CG 4.33Å; W259-R263 VanDerWaalsContact O-CB 3.28Å; W259-R263 WeakPolarHBondContact O-CB 3.39Å; W259-R263 PolarHBondContact O-N 3.01Å; W259-L322 HydrophobicContact CZ3-CB 4.31Å; W259-L322 HydrophobicContact CZ3-CD1 4.44Å; W259-A324 HydrophobicContact CE3-CB 4.22Å; W259-R327 HydrophobicContact CD2-CB 3.56Å; W259-R327 HydrophobicContact CD2-CG 4.44Å; W259-R327 HydrophobicContact CE3-CB 3.96Å; W259-R327 HydrophobicContact CG-CB 3.8Å; W259-R327 VanDerWaalsContact CH2-CD 3.44Å; W259-R327 HydrophobicContact CZ2-CB 4.38Å; W259-R327 VanDerWaalsContact CZ2-CD 3.47Å; W259-R327 VanDerWaalsContact CZ2-NH1 3.29Å; W259-E328 HydrophobicContact CB-CB 3.79Å; W259-E328 HydrophobicContact CB-CG 4.45Å; W259-P369 HydrophobicContact CH2-CG 4.34Å
260T93.8Very high91.5Very high25 Ų2552 Ų5215%0.15325%0.253CS..Hα-helixtrans-66.4-44.3172.2-58.20000111.1A3 F257 Q258 R263 N264 E328 F334A3-T260 HydrophobicContact CB-CG2 4.42Å; F257-T260 WeakPolarHBondContact O-CB 3.26Å; F257-T260 PolarHBondContact O-N 3.35Å; F257-T260 VanDerWaalsContact O-N 3.12Å; Q258-T260 PolarHBondContact O-N 2.72Å; T260-R263 PolarHBondContact O-N 3.32Å; T260-N264 WeakPolarHBondContact O-CB 3.01Å; T260-N264 PolarHBondContact O-N 3.39Å; T260-N264 PolarHBondContact O-ND2 2.85Å; T260-E328 WeakPolarHBondContact CA-OE1 3.48Å; T260-E328 VanDerWaalsContact CB-OE1 3.32Å; T260-E328 WeakPolarHBondContact CB-OE1 2.96Å; T260-E328 WeakPolarHBondContact CG2-OE1 3.36Å; T260-E328 PolarHBondContact OG1-OE1 2.81Å; T260-F334 WeakPolarHBondContact OG1-CZ 3.42Å
261I93Very high91.6Very high33 Ų3350.5 Ų50.517%0.16925%0.249CC..Hα-helixtrans-65.4-49.5176.8-68161.6000109.3V253 K254 F257 Q258 R263 N264 H265 F374V253-I261 HydrophobicContact CG1-CD1 4.25Å; K254-I261 VanDerWaalsContact CA-CD1 3.49Å; K254-I261 HydrophobicContact CB-CD1 4.29Å; K254-I261 HydrophobicContact CG-CD1 3.98Å; F257-I261 PolarHBondContact O-N 2.79Å; Q258-I261 PolarHBondContact O-N 3Å; I261-R263 PolarHBondContact O-N 3.42Å; I261-R263 VanDerWaalsContact O-N 3.17Å; I261-N264 PolarHBondContact O-N 3.01Å; I261-H265 HydrophobicContact CG2-CB 4.19Å; I261-H265 WeakPolarHBondContact O-CB 3.06Å; I261-H265 PolarHBondContact O-N 3.09Å; I261-F374 HydrophobicContact CG2-CD1 4.39Å; I261-F374 HydrophobicContact CG2-CE1 3.56Å; I261-F374 HydrophobicContact CG2-CZ 3.82Å
262E93Very high92Very high0 Ų052.1 Ų52.10%026%0.255CS..Hα-helixtrans-52.9-39.6178.3-178.559-155.600112.2Q258 W259 S268 S319 L322 A324 S372 S373 F374Q258-E262 WeakPolarHBondContact O-CB 3.49Å; Q258-E262 PolarHBondContact O-N 3.23Å; W259-E262 HydrophobicContact CE3-CB 4.34Å; W259-E262 HydrophobicContact CE3-CG 4.23Å; W259-E262 HydrophobicContact CZ3-CG 4.33Å; E262-S268 WeakPolarHBondContact O-CB 3.46Å; E262-S268 PolarHBondContact O-OG 3.33Å; E262-S268 VanDerWaalsContact O-OG 3.09Å; E262-S268 PolarHBondContact OE2-OG 3.35Å; E262-S319 WeakPolarHBondContact O-CB 3.15Å; E262-S319 PolarHBondContact O-OG 2.88Å; E262-S319 WeakPolarHBondContact OE1-CA 3.35Å; E262-S319 PolarHBondContact OE1-N 3.08Å; E262-L322 HydrophobicContact CG-CD1 4.42Å; E262-A324 HydrophobicContact CB-CB 4.27Å; E262-A324 HydrophobicContact CG-CB 3.7Å; E262-S372 WeakPolarHBondContact OE2-CA 3.22Å; E262-S372 WeakPolarHBondContact OE2-CB 3.4Å; E262-S373 WeakPolarHBondContact OE1-CB 3.17Å; E262-S373 PolarHBondContact OE1-N 3Å; E262-S373 PolarHBondContact OE1-OG 2.96Å; E262-S373 PolarHBondContact OE2-N 3.04Å; E262-S373 PolarHBondContact OE2-OG 3.47Å; E262-F374 WeakPolarHBondContact OE2-CD1 3.47Å
263R92.7Very high92.2Very high109 Ų10954.9 Ų54.941%0.41128%0.276SS..Hα-helixtrans-71.1-34.2177.2179.4-177.2168.6-174.2-6.2113.9W259 T260 I261 A324 E328W259-R263 VanDerWaalsContact O-CB 3.28Å; W259-R263 WeakPolarHBondContact O-CB 3.39Å; W259-R263 PolarHBondContact O-N 3.01Å; T260-R263 PolarHBondContact O-N 3.32Å; I261-R263 PolarHBondContact O-N 3.42Å; I261-R263 VanDerWaalsContact O-N 3.17Å; R263-A324 HydrophobicContact CB-CB 4.39Å; R263-E328 WeakPolarHBondContact CD-OE2 3.49Å; R263-E328 IonicContact CZ-OE2 3.91Å; R263-E328 IonicContact NE-OE2 3.2Å; R263-E328 IonicContact NH1-OE2 3.75Å; R263-E328 PolarHBondContact NH1-OE2 3.3Å
264N93Very high92.3Very high115 Ų11557.7 Ų57.762%0.61529%0.285SS*.Hα-helixtrans-106.4-13.4-169.2-68.4-79000113.9T260 I261 E266T260-N264 WeakPolarHBondContact O-CB 3.01Å; T260-N264 PolarHBondContact O-N 3.39Å; T260-N264 PolarHBondContact O-ND2 2.85Å; I261-N264 PolarHBondContact O-N 3.01Å; N264-E266 PolarHBondContact O-N 3.4Å
265H93.3Very high92.6Very high68 Ų6856 Ų5632%0.31528%0.278SS..  trans-73.7128.4-177.9-166.3-76.1000110I261 Y267 S268 F374I261-H265 HydrophobicContact CG2-CB 4.19Å; I261-H265 WeakPolarHBondContact O-CB 3.06Å; I261-H265 PolarHBondContact O-N 3.09Å; H265-Y267 AromaticContact CE1-CD2 3.75Å; H265-Y267 AromaticContact CE1-CG 3.83Å; H265-Y267 PolarHBondContact ND1-N 3.36Å; H265-Y267 VanDerWaalsContact ND1-N 3.12Å; H265-Y267 PolarHBondContact O-N 3.19Å; H265-S268 WeakPolarHBondContact O-CB 3.07Å; H265-S268 PolarHBondContact O-N 3.01Å; H265-F374 HydrophobicContact CB-CD1 4.16Å; H265-F374 HydrophobicContact CB-CG 4.45Å; H265-F374 AromaticContact CG-CG 3.97Å; H265-F374 WeakPolarHBondContact ND1-CB 3.06Å; H265-F374 AromaticContact ND1-CG 3.9Å
266E93Very high93.1Very high136 Ų13657.8 Ų57.864%0.63628%0.28SS*.G310 helixtrans-52.5-45.1-177.7-175.4-176.7167.300111.4N264 S268 S269N264-E266 PolarHBondContact O-N 3.4Å; E266-S268 PolarHBondContact O-N 3.19Å; E266-S269 PolarHBondContact O-N 3.15Å; E266-S269 PolarHBondContact O-OG 2.77Å; E266-S269 VanDerWaalsContact O-OG 3.09Å
267Y93.8Very high93.3Very high82 Ų8259.9 Ų59.932%0.32229%0.29SS..G310 helixtrans-75.5-3.5-177.8-55.4-17.8000115.4H265 S269 T391 H395H265-Y267 AromaticContact CE1-CD2 3.75Å; H265-Y267 AromaticContact CE1-CG 3.83Å; H265-Y267 PolarHBondContact ND1-N 3.36Å; H265-Y267 VanDerWaalsContact ND1-N 3.12Å; H265-Y267 PolarHBondContact O-N 3.19Å; Y267-S269 VanDerWaalsContact C-N 3.28Å; Y267-T391 WeakPolarHBondContact O-CB 3.46Å; Y267-T391 PolarHBondContact O-OG1 3.08Å; Y267-H395 VanDerWaalsContact CA-CD2 3.46Å; Y267-H395 WeakPolarHBondContact CA-CD2 3.21Å; Y267-H395 WeakPolarHBondContact CA-NE2 3.02Å; Y267-H395 HydrophobicContact CD1-CB 3.71Å; Y267-H395 AromaticContact CD1-CD2 3.73Å; Y267-H395 AromaticContact CD1-CE1 3.92Å; Y267-H395 AromaticContact CD1-CG 3.39Å; Y267-H395 AromaticContact CD1-ND1 3.55Å; Y267-H395 HydrophobicContact CD2-CB 4.32Å; Y267-H395 HydrophobicContact CE1-CB 4Å; Y267-H395 HydrophobicContact CG-CB 3.92Å; Y267-H395 AromaticContact CG-CD2 3.82Å; Y267-H395 AromaticContact CG-CG 3.79Å
268S93.7Very high93.4Very high1 Ų159.9 Ų59.91%0.00729%0.29CS..G310 helixtrans-79.4-15.5172.5-66.40000112.9E262 H265 E266 S318 S319 S373 F374 T391E262-S268 WeakPolarHBondContact O-CB 3.46Å; E262-S268 PolarHBondContact O-OG 3.33Å; E262-S268 VanDerWaalsContact O-OG 3.09Å; E262-S268 PolarHBondContact OE2-OG 3.35Å; H265-S268 WeakPolarHBondContact O-CB 3.07Å; H265-S268 PolarHBondContact O-N 3.01Å; E266-S268 PolarHBondContact O-N 3.19Å; S268-S318 WeakPolarHBondContact O-CA 2.82Å; S268-S318 WeakPolarHBondContact O-CB 3.31Å; S268-S319 PolarHBondContact O-N 3.05Å; S268-S373 VanDerWaalsContact CA-OG 3.23Å; S268-S373 WeakPolarHBondContact CA-OG 3.47Å; S268-S373 WeakPolarHBondContact CB-OG 3.49Å; S268-S373 PolarHBondContact O-OG 3.32Å; S268-F374 VanDerWaalsContact OG-CD1 3.31Å; S268-F374 WeakPolarHBondContact OG-CD1 3.35Å; S268-T391 PolarHBondContact O-OG1 3.36Å
269S93.1Very high93.8Very high68 Ų6861.1 Ų61.148%0.47630%0.297SS..  trans-109.8160.817972.20000111.5E266 Y267 H395E266-S269 PolarHBondContact O-N 3.15Å; E266-S269 PolarHBondContact O-OG 2.77Å; E266-S269 VanDerWaalsContact O-OG 3.09Å; Y267-S269 VanDerWaalsContact C-N 3.28Å; S269-H395 PolarHBondContact O-CE1 2.89Å; S269-H395 PolarHBondContact O-NE2 3.39Å
270I93Very high94Very high26 Ų2666.5 Ų66.513%0.13332%0.322CS..  trans-141.3138.8173.3-173.7170000109.4R274 K275 I316 T391 L394I270-R274 HydrophobicContact CD1-CB 3.85Å; I270-R274 HydrophobicContact CG1-CB 3.71Å; I270-K275 HydrophobicContact CD1-CB 4.38Å; I270-K275 HydrophobicContact CG2-CB 4.34Å; I270-I316 HydrophobicContact CG2-CG2 4.36Å; I270-T391 HydrophobicContact CB-CG2 3.94Å; I270-T391 HydrophobicContact CG2-CG2 3.85Å; I270-L394 HydrophobicContact CD1-CB 3.63Å; I270-L394 HydrophobicContact CD1-CD1 3.42Å; I270-L394 VanDerWaalsContact CD1-CD1 3.42Å; I270-L394 HydrophobicContact CD1-CG 4.15Å
271S93.1Very high94.2Very high50 Ų5065.6 Ų65.635%0.3532%0.316SS..  trans-67.9143.9173.5610000111S273 R274 K275S271-S273 PolarHBondContact O-N 3.49Å; S271-S273 VanDerWaalsContact O-N 3.09Å; S271-R274 PolarHBondContact O-N 2.87Å; S271-R274 WeakPolarHBondContact OG-CB 3.45Å; S271-R274 WeakPolarHBondContact OG-CG 3.5Å; S271-R274 PolarHBondContact OG-N 3.17Å; S271-R274 PolarHBondContact OG-NE 2.92Å; S271-K275 PolarHBondContact O-N 2.88Å
272E93.2Very high94.4Very high103 Ų10364.1 Ų64.148%0.48131%0.309SS..Hα-helixtrans-55.2-30.9177.3-73.3-59.6125.700113.8K275 R276E272-K275 WeakPolarHBondContact OE1-CD 3.46Å; E272-K275 IonicContact OE1-NZ 2.73Å; E272-K275 PolarHBondContact OE1-NZ 2.85Å; E272-K275 IonicContact OE2-NZ 3.07Å; E272-R276 WeakPolarHBondContact O-CG 3.38Å; E272-R276 PolarHBondContact O-N 2.76Å
273S93.6Very high94.6Very high74 Ų7468 Ų6852%0.51733%0.329SS..Hα-helixtrans-63.8-49.2173.6-166.90000112.6S271 R276 E277S271-S273 PolarHBondContact O-N 3.49Å; S271-S273 VanDerWaalsContact O-N 3.09Å; S273-R276 PolarHBondContact O-N 2.95Å; S273-E277 PolarHBondContact O-N 3.02Å; S273-E277 VanDerWaalsContact O-N 3.1Å
274R93.6Very high94.9Very high70 Ų7064.7 Ų64.726%0.26432%0.319SS..Hα-helixtrans-66.1-39.2177.8-74.1-173.9-98.9171.1-12.9111.6I270 S271 R276 E277 V278 H395 F399I270-R274 HydrophobicContact CD1-CB 3.85Å; I270-R274 HydrophobicContact CG1-CB 3.71Å; S271-R274 PolarHBondContact O-N 2.87Å; S271-R274 WeakPolarHBondContact OG-CB 3.45Å; S271-R274 WeakPolarHBondContact OG-CG 3.5Å; S271-R274 PolarHBondContact OG-N 3.17Å; S271-R274 PolarHBondContact OG-NE 2.92Å; R274-R276 PolarHBondContact O-N 2.96Å; R274-E277 PolarHBondContact O-N 3.11Å; R274-V278 WeakPolarHBondContact O-CB 3.35Å; R274-V278 WeakPolarHBondContact O-CG2 3.35Å; R274-V278 PolarHBondContact O-N 3.27Å; R274-H395 PolarHBondContact NH1-CE1 3.44Å; R274-H395 PolarHBondContact NH1-ND1 3.43Å; R274-F399 HydrophobicContact CB-CE1 4.3Å; R274-F399 HydrophobicContact CG-CE1 4.2Å
275K94.6Very high95.1Very high68 Ų6859.2 Ų59.230%0.29629%0.289SS..Hα-helixtrans-56.6-48.3175-176.8-179.5173.8-175.70111.5I270 S271 E272 V278 L279 I316I270-K275 HydrophobicContact CD1-CB 4.38Å; I270-K275 HydrophobicContact CG2-CB 4.34Å; S271-K275 PolarHBondContact O-N 2.88Å; E272-K275 WeakPolarHBondContact OE1-CD 3.46Å; E272-K275 IonicContact OE1-NZ 2.73Å; E272-K275 PolarHBondContact OE1-NZ 2.85Å; E272-K275 IonicContact OE2-NZ 3.07Å; K275-V278 PolarHBondContact O-N 3.33Å; K275-L279 HydrophobicContact CG-CD1 4.25Å; K275-L279 VanDerWaalsContact O-CG 3.29Å; K275-L279 WeakPolarHBondContact O-CG 3.36Å; K275-L279 PolarHBondContact O-N 3.42Å; K275-L279 VanDerWaalsContact O-N 3.1Å; K275-I316 HydrophobicContact CB-CD1 4.47Å; K275-I316 HydrophobicContact CG-CD1 3.75Å
276R95.6Very high95.3Very high146 Ų14656.9 Ų56.955%0.55128%0.278SS*.Hα-helixtrans-60.1-47.5175.3-74.8-175.5-66.51590.5112.2E272 S273 R274 V278 L279 E280E272-R276 WeakPolarHBondContact O-CG 3.38Å; E272-R276 PolarHBondContact O-N 2.76Å; S273-R276 PolarHBondContact O-N 2.95Å; R274-R276 PolarHBondContact O-N 2.96Å; R276-V278 VanDerWaalsContact C-N 3.32Å; R276-V278 PolarHBondContact O-N 3.15Å; R276-L279 PolarHBondContact O-N 3.41Å; R276-E280 WeakPolarHBondContact O-CB 3.3Å; R276-E280 VanDerWaalsContact O-CG 3.3Å; R276-E280 WeakPolarHBondContact O-CG 3.44Å; R276-E280 PolarHBondContact O-N 2.89Å
277E95.7Very high95.4Very high48 Ų4854.1 Ų54.122%0.22427%0.267CS..Hα-helixtrans-59.1-41.5179.6-174.7174.7-158.500112.7S273 R274 E280 I281 F399 K408S273-E277 PolarHBondContact O-N 3.02Å; S273-E277 VanDerWaalsContact O-N 3.1Å; R274-E277 PolarHBondContact O-N 3.11Å; E277-E280 PolarHBondContact O-N 3.04Å; E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 2.04Å; E277-F399 HydrophobicContact CB-CZ 4.42Å; E277-F399 HydrophobicContact CG-CZ 3.97Å; E277-F399 WeakPolarHBondContact OE2-CZ 3.27Å; E277-K408 VanDerWaalsContact OE1-CE 3.23Å; E277-K408 WeakPolarHBondContact OE1-CE 3.31Å; E277-K408 IonicContact OE1-NZ 2.64Å; E277-K408 PolarHBondContact OE1-NZ 3.31Å; E277-K408 IonicContact OE2-NZ 3.75Å
278V95.8Very high95.6Very high0 Ų050.3 Ų50.30%025%0.253CS..Hα-helixtrans-65.7-42.2177.7170.50000111.3R274 K275 R276 I281 F282 L314 I316 L394 F399 M416R274-V278 WeakPolarHBondContact O-CB 3.35Å; R274-V278 WeakPolarHBondContact O-CG2 3.35Å; R274-V278 PolarHBondContact O-N 3.27Å; K275-V278 PolarHBondContact O-N 3.33Å; R276-V278 VanDerWaalsContact C-N 3.32Å; R276-V278 PolarHBondContact O-N 3.15Å; V278-I281 PolarHBondContact O-N 2.98Å; V278-F282 PolarHBondContact O-N 2.61Å; V278-L314 HydrophobicContact CG1-CD2 4.06Å; V278-I316 HydrophobicContact CG1-CD1 4.2Å; V278-L394 HydrophobicContact CB-CD2 4.42Å; V278-L394 HydrophobicContact CG1-CD1 4.09Å; V278-L394 HydrophobicContact CG1-CD2 3.7Å; V278-L394 HydrophobicContact CG2-CD1 4.34Å; V278-L394 HydrophobicContact CG2-CD2 3.77Å; V278-L394 HydrophobicContact CG2-CG 4.5Å; V278-F399 HydrophobicContact CG2-CD1 4.4Å; V278-F399 HydrophobicContact CG2-CE1 3.98Å; V278-F399 HydrophobicContact CG2-CE2 4.16Å; V278-F399 HydrophobicContact CG2-CZ 3.84Å; V278-M416 HydrophobicContact CG1-CE 3.44Å; V278-M416 VanDerWaalsContact CG1-CE 3.44Å
279L97Very high95.6Very high56 Ų5650.5 Ų50.529%0.29325%0.253SS..Hα-helixtrans-65.8-40.1175.7-67.8170.3000111.5K275 R276 F282 D283 L314 I316K275-L279 HydrophobicContact CG-CD1 4.25Å; K275-L279 VanDerWaalsContact O-CG 3.29Å; K275-L279 WeakPolarHBondContact O-CG 3.36Å; K275-L279 PolarHBondContact O-N 3.42Å; K275-L279 VanDerWaalsContact O-N 3.1Å; R276-L279 PolarHBondContact O-N 3.41Å; L279-F282 WeakPolarHBondContact O-CB 3.13Å; L279-F282 PolarHBondContact O-N 3.38Å; L279-D283 PolarHBondContact O-N 3.27Å; L279-L314 HydrophobicContact CD2-CB 4.14Å; L279-L314 HydrophobicContact CD2-CD2 4.2Å; L279-L314 HydrophobicContact CD2-CG 4.44Å; L279-L314 WeakPolarHBondContact CD2-O 3.47Å; L279-I316 HydrophobicContact CG-CD1 4.43Å
280E96.7Very high95.6Very high118 Ų11849 Ų4955%0.55124%0.239SC*.Hα-helixtrans-62-43175.3-74.1169.6-167.500112R276 E277 F282 D283 E284R276-E280 WeakPolarHBondContact O-CB 3.3Å; R276-E280 VanDerWaalsContact O-CG 3.3Å; R276-E280 WeakPolarHBondContact O-CG 3.44Å; R276-E280 PolarHBondContact O-N 2.89Å; E277-E280 PolarHBondContact O-N 3.04Å; E280-F282 VanDerWaalsContact C-N 3.29Å; E280-F282 PolarHBondContact O-N 3.07Å; E280-D283 PolarHBondContact O-N 2.7Å; E280-E284 WeakPolarHBondContact O-CB 3.44Å; E280-E284 WeakPolarHBondContact O-CG 3.46Å; E280-E284 PolarHBondContact O-N 3.11Å
281I97.3Very high95.6Very high6 Ų652.5 Ų52.53%0.03126%0.255CS..Hα-helixtrans-58.1-44.8174.2-70.2167.5000110.4E277 V278 E284 L285 F399 K408 Y409 M416E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 2.04Å; V278-I281 PolarHBondContact O-N 2.98Å; I281-E284 PolarHBondContact O-N 3.43Å; I281-L285 HydrophobicContact CG2-CD1 4.24Å; I281-L285 WeakPolarHBondContact O-CG 3.43Å; I281-L285 PolarHBondContact O-N 3.2Å; I281-F399 HydrophobicContact CD1-CE2 3.97Å; I281-K408 HydrophobicContact CD1-CB 4.2Å; I281-Y409 HydrophobicContact CG1-CE2 4.14Å; I281-Y409 HydrophobicContact CG2-CE1 4.1Å; I281-M416 HydrophobicContact CG2-SD 4.25Å
282F97.6Very high95.5Very high3 Ų353 Ų531%0.01325%0.254CS..Hα-helixtrans-63.6-44.2179.6-173.9-101.5000112.7V278 L279 E280 L285 K286 I312 L314 I387 M416 L420V278-F282 PolarHBondContact O-N 2.61Å; L279-F282 WeakPolarHBondContact O-CB 3.13Å; L279-F282 PolarHBondContact O-N 3.38Å; E280-F282 VanDerWaalsContact C-N 3.29Å; E280-F282 PolarHBondContact O-N 3.07Å; F282-L285 WeakPolarHBondContact O-CB 3.4Å; F282-L285 PolarHBondContact O-N 3.08Å; F282-K286 HydrophobicContact CD1-CD 3.89Å; F282-K286 HydrophobicContact CD1-CG 4.4Å; F282-K286 HydrophobicContact CE1-CD 3.46Å; F282-K286 VanDerWaalsContact CE1-CD 3.46Å; F282-K286 HydrophobicContact CE1-CG 4.08Å; F282-K286 HydrophobicContact CZ-CD 4.17Å; F282-K286 HydrophobicContact CZ-CG 4.42Å; F282-K286 PolarHBondContact O-N 3.27Å; F282-I312 HydrophobicContact CE1-CG2 4.35Å; F282-I312 HydrophobicContact CZ-CG2 3.82Å; F282-L314 HydrophobicContact CB-CB 4.3Å; F282-L314 HydrophobicContact CB-CD2 3.83Å; F282-L314 HydrophobicContact CD1-CB 3.55Å; F282-L314 HydrophobicContact CD2-CB 4.05Å; F282-L314 HydrophobicContact CD2-CD1 4.18Å; F282-L314 HydrophobicContact CD2-CD2 4.15Å; F282-L314 HydrophobicContact CD2-CG 4.37Å; F282-L314 HydrophobicContact CE1-CB 3.75Å; F282-L314 HydrophobicContact CE2-CB 4.26Å; F282-L314 HydrophobicContact CE2-CD1 4.26Å; F282-L314 HydrophobicContact CG-CB 3.7Å; F282-L314 HydrophobicContact CG-CD2 3.96Å; F282-L314 HydrophobicContact CG-CG 4.3Å; F282-L314 HydrophobicContact CZ-CB 4.11Å; F282-I387 HydrophobicContact CE2-CD1 4.16Å; F282-I387 HydrophobicContact CZ-CD1 4.11Å; F282-M416 HydrophobicContact CB-SD 3.92Å; F282-M416 HydrophobicContact CD2-CB 4.06Å; F282-M416 HydrophobicContact CD2-CG 4.12Å; F282-M416 HydrophobicContact CD2-SD 3.94Å; F282-M416 HydrophobicContact CG-SD 4.44Å; F282-L420 HydrophobicContact CE2-CD1 4.22Å; F282-L420 HydrophobicContact CE2-CD2 3.94Å; F282-L420 HydrophobicContact CE2-CG 3.99Å; F282-L420 HydrophobicContact CZ-CD2 3.78Å; F282-L420 HydrophobicContact CZ-CG 4.35Å
283D97.7Very high95.1Very high81 Ų8148.4 Ų48.443%0.43323%0.233SC..Hα-helixtrans-64.5-41.4177.4-76.9-25.2000111.7L279 E280 L285 K286 I287L279-D283 PolarHBondContact O-N 3.27Å; E280-D283 PolarHBondContact O-N 2.7Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 3.28Å; D283-K286 WeakPolarHBondContact O-CB 3.48Å; D283-K286 PolarHBondContact O-N 3.44Å; D283-I287 VanDerWaalsContact O-CG1 3.27Å; D283-I287 WeakPolarHBondContact O-CG1 3.38Å; D283-I287 PolarHBondContact O-N 3.1Å
284E98Very high94.8Very high39 Ų3948.7 Ų48.718%0.18223%0.234CC..Hα-helixtrans-62.6-39.5175.6-73-69.4164.800111.7E280 I281 I287 T288 T485 R488 L489 R492E280-E284 WeakPolarHBondContact O-CB 3.44Å; E280-E284 WeakPolarHBondContact O-CG 3.46Å; E280-E284 PolarHBondContact O-N 3.11Å; I281-E284 PolarHBondContact O-N 3.43Å; E284-I287 PolarHBondContact O-N 3.42Å; E284-T288 PolarHBondContact O-N 3.47Å; E284-T288 PolarHBondContact O-OG1 2.97Å; E284-T485 HydrophobicContact CB-CG2 3.86Å; E284-R488 PolarHBondContact O-NH2 3.07Å; E284-R488 IonicContact OE2-CZ 3.58Å; E284-R488 IonicContact OE2-NE 2.91Å; E284-R488 IonicContact OE2-NH2 2.66Å; E284-R488 PolarHBondContact OE2-NH2 3.28Å; E284-L489 HydrophobicContact CB-CD1 4.21Å; E284-L489 HydrophobicContact CG-CD1 4.17Å; E284-L489 HydrophobicContact CG-CD2 4.2Å; E284-L489 WeakPolarHBondContact OE2-CD2 3.42Å; E284-R492 IonicContact OE1-NH1 3.63Å
285L98.2Very high94.3Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-61.8-45.5172.9-70.4166.6000111.7I281 F282 D283 I287 T288 L289 Y409 M416 L420 L481 T485I281-L285 HydrophobicContact CG2-CD1 4.24Å; I281-L285 WeakPolarHBondContact O-CG 3.43Å; I281-L285 PolarHBondContact O-N 3.2Å; F282-L285 WeakPolarHBondContact O-CB 3.4Å; F282-L285 PolarHBondContact O-N 3.08Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 3.28Å; L285-I287 VanDerWaalsContact C-N 3.34Å; L285-I287 PolarHBondContact O-N 2.81Å; L285-T288 PolarHBondContact O-N 2.98Å; L285-L289 WeakPolarHBondContact O-CB 2.94Å; L285-L289 PolarHBondContact O-N 3.47Å; L285-Y409 HydrophobicContact CD2-CE1 4.43Å; L285-M416 HydrophobicContact CD1-CB 3.59Å; L285-M416 HydrophobicContact CD1-SD 4.36Å; L285-L420 HydrophobicContact CB-CD1 3.72Å; L285-L481 HydrophobicContact CD2-CG 4.12Å; L285-T485 HydrophobicContact CD2-CG2 4.35Å
286K96.6Very high93.4Very high20 Ų2049 Ų499%0.08725%0.252CS..Hα-helixtrans-58.4-45.6176.1-79.8177.653.9179.80111.6F282 D283 T288 L289 I290 I309 K310 I312 L420F282-K286 HydrophobicContact CD1-CD 3.89Å; F282-K286 HydrophobicContact CD1-CG 4.4Å; F282-K286 HydrophobicContact CE1-CD 3.46Å; F282-K286 VanDerWaalsContact CE1-CD 3.46Å; F282-K286 HydrophobicContact CE1-CG 4.08Å; F282-K286 HydrophobicContact CZ-CD 4.17Å; F282-K286 HydrophobicContact CZ-CG 4.42Å; F282-K286 PolarHBondContact O-N 3.27Å; D283-K286 WeakPolarHBondContact O-CB 3.48Å; D283-K286 PolarHBondContact O-N 3.44Å; K286-T288 VanDerWaalsContact C-N 3.33Å; K286-T288 PolarHBondContact O-N 3.35Å; K286-L289 PolarHBondContact O-N 3.43Å; K286-I290 VanDerWaalsContact O-CG1 3.31Å; K286-I290 WeakPolarHBondContact O-CG1 3.39Å; K286-I290 PolarHBondContact O-N 3.47Å; K286-I309 WeakPolarHBondContact CE-O 2.93Å; K286-I309 HydrophobicContact CG-CG2 4.42Å; K286-K310 PolarHBondContact NZ-O 3.11Å; K286-I312 WeakPolarHBondContact CE-O 3.24Å; K286-I312 PolarHBondContact NZ-O 3.46Å; K286-L420 HydrophobicContact CG-CD1 4.2Å; K286-L420 HydrophobicContact CG-CD2 3.91Å
287I96.2Very high91.9Very high77 Ų7747.1 Ų47.140%0.39526%0.261SS..Hα-helixtrans-60.5-45.4178.4-65.6164.6000110D283 E284 L285 L289 I290 Q291D283-I287 VanDerWaalsContact O-CG1 3.27Å; D283-I287 WeakPolarHBondContact O-CG1 3.38Å; D283-I287 PolarHBondContact O-N 3.1Å; E284-I287 PolarHBondContact O-N 3.42Å; L285-I287 VanDerWaalsContact C-N 3.34Å; L285-I287 PolarHBondContact O-N 2.81Å; I287-L289 PolarHBondContact O-N 3.2Å; I287-I290 PolarHBondContact O-N 3.39Å; I287-Q291 VanDerWaalsContact O-CG 3.3Å; I287-Q291 WeakPolarHBondContact O-CG 3.29Å; I287-Q291 PolarHBondContact O-N 3.06Å
288T96.7Very high90.6Very high3 Ų348.5 Ų48.52%0.01826%0.264CS..Hα-helixtrans-61.3-44.8177.1-52.20000111.3E284 L285 K286 I290 Q291 L292 L481 T484 T485 R488E284-T288 PolarHBondContact O-N 3.47Å; E284-T288 PolarHBondContact O-OG1 2.97Å; L285-T288 PolarHBondContact O-N 2.98Å; K286-T288 VanDerWaalsContact C-N 3.33Å; K286-T288 PolarHBondContact O-N 3.35Å; T288-I290 PolarHBondContact O-N 2.83Å; T288-Q291 WeakPolarHBondContact O-CB 2.94Å; T288-Q291 PolarHBondContact O-N 3Å; T288-L292 HydrophobicContact CG2-CD1 3.97Å; T288-L292 HydrophobicContact CG2-CG 4.28Å; T288-L292 WeakPolarHBondContact O-CG 3.28Å; T288-L292 PolarHBondContact O-N 3.42Å; T288-L481 HydrophobicContact CG2-CD1 3.8Å; T288-T484 HydrophobicContact CG2-CG2 3.77Å; T288-T485 WeakPolarHBondContact CB-OG1 3.31Å; T288-T485 WeakPolarHBondContact CG2-OG1 3.36Å; T288-T485 WeakPolarHBondContact OG1-CB 3.19Å; T288-T485 WeakPolarHBondContact OG1-CG2 3.5Å; T288-T485 PolarHBondContact OG1-OG1 3.43Å; T288-R488 PolarHBondContact OG1-NH1 3.26Å; T288-R488 PolarHBondContact OG1-NH2 3.05Å
289L94.7Very high89.3Confident5 Ų549.2 Ų49.23%0.02627%0.267CS..Hα-helixtrans-61.6-46.4179.8-179.158.3000111.2L285 K286 I287 Q291 L292 L293 I309 L420 M421 V424 L481L285-L289 WeakPolarHBondContact O-CB 2.94Å; L285-L289 PolarHBondContact O-N 3.47Å; K286-L289 PolarHBondContact O-N 3.43Å; I287-L289 PolarHBondContact O-N 3.2Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 2.87Å; L289-L292 PolarHBondContact O-N 2.96Å; L289-L293 HydrophobicContact CD1-CD1 4.01Å; L289-L293 HydrophobicContact CD1-CD2 4.42Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CG-CD1 3.99Å; L289-L293 HydrophobicContact CG-CG 4.38Å; L289-L293 WeakPolarHBondContact O-CB 2.86Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.46Å; L289-L293 PolarHBondContact O-N 3.34Å; L289-I309 HydrophobicContact CD2-CD1 3.79Å; L289-I309 HydrophobicContact CD2-CG1 4.21Å; L289-I309 HydrophobicContact CD2-CG2 4.17Å; L289-I309 HydrophobicContact CG-CD1 4.01Å; L289-L420 HydrophobicContact CD2-CB 3.99Å; L289-M421 HydrophobicContact CD1-SD 3.81Å; L289-V424 HydrophobicContact CD2-CG2 4.1Å; L289-L481 HydrophobicContact CB-CD1 3.87Å; L289-L481 HydrophobicContact CB-CD2 4.09Å; L289-L481 HydrophobicContact CD1-CD2 4.4Å; L289-L481 HydrophobicContact CD2-CD2 4.38Å
290I93Very high87.3Confident35 Ų3551.8 Ų51.818%0.17929%0.285CS..Hα-helixtrans-60.2-41.9177.2-68.1165.3000110.9K286 I287 T288 S294 I306 I309 K310K286-I290 VanDerWaalsContact O-CG1 3.31Å; K286-I290 WeakPolarHBondContact O-CG1 3.39Å; K286-I290 PolarHBondContact O-N 3.47Å; I287-I290 PolarHBondContact O-N 3.39Å; T288-I290 PolarHBondContact O-N 2.83Å; I290-S294 VanDerWaalsContact O-CB 3.3Å; I290-S294 WeakPolarHBondContact O-CB 3.36Å; I290-S294 PolarHBondContact O-N 3.4Å; I290-S294 PolarHBondContact O-OG 3.37Å; I290-I306 HydrophobicContact CG2-CG2 4.24Å; I290-I309 HydrophobicContact CD1-CG2 4.13Å; I290-I309 HydrophobicContact CG1-CB 4.42Å; I290-I309 HydrophobicContact CG1-CG2 3.84Å; I290-K310 HydrophobicContact CD1-CG 3.76Å
291Q92.4Very high85.4Confident101 Ų10154.9 Ų54.947%0.47230%0.3SS..Hα-helixtrans-61.9-48.4176.7-74.4172.9-13.800111.7I287 T288 L289 L293 S294 S295I287-Q291 VanDerWaalsContact O-CG 3.3Å; I287-Q291 WeakPolarHBondContact O-CG 3.29Å; I287-Q291 PolarHBondContact O-N 3.06Å; T288-Q291 WeakPolarHBondContact O-CB 2.94Å; T288-Q291 PolarHBondContact O-N 3Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 2.87Å; Q291-L293 PolarHBondContact O-N 3.23Å; Q291-S294 PolarHBondContact O-N 2.89Å; Q291-S295 PolarHBondContact O-N 3.36Å; Q291-S295 PolarHBondContact O-OG 2.9Å
292L90.7Very high83.8Confident60 Ų6057.7 Ų57.731%0.31432%0.315SS..Hα-helixtrans-61.9-44.2179.2-70.7173.7000112.2T288 L289 S294 S295 N296 L481 T484T288-L292 HydrophobicContact CG2-CD1 3.97Å; T288-L292 HydrophobicContact CG2-CG 4.28Å; T288-L292 WeakPolarHBondContact O-CG 3.28Å; T288-L292 PolarHBondContact O-N 3.42Å; L289-L292 PolarHBondContact O-N 2.96Å; L292-S294 VanDerWaalsContact C-N 3.31Å; L292-S294 PolarHBondContact O-N 2.96Å; L292-S295 PolarHBondContact O-N 3.05Å; L292-S295 PolarHBondContact O-OG 2.92Å; L292-N296 WeakPolarHBondContact O-CB 3.35Å; L292-N296 VanDerWaalsContact O-CG 3.27Å; L292-N296 PolarHBondContact O-N 3Å; L292-N296 PolarHBondContact O-ND2 3.36Å; L292-L481 HydrophobicContact CD1-CD1 4.11Å; L292-T484 HydrophobicContact CD1-CG2 4.41Å; L292-T484 HydrophobicContact CD2-CG2 4.49Å
293L86.6Confident82.3Confident7 Ų765.7 Ų65.74%0.03735%0.35CS..Hα-helixtrans-66-35.5177.1-65.7176.9000111.8L289 Q291 W298 F299 I305 I309L289-L293 HydrophobicContact CD1-CD1 4.01Å; L289-L293 HydrophobicContact CD1-CD2 4.42Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CG-CD1 3.99Å; L289-L293 HydrophobicContact CG-CG 4.38Å; L289-L293 WeakPolarHBondContact O-CB 2.86Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.46Å; L289-L293 PolarHBondContact O-N 3.34Å; Q291-L293 PolarHBondContact O-N 3.23Å; L293-W298 HydrophobicContact CD2-CH2 4.29Å; L293-W298 HydrophobicContact CD2-CZ2 4.45Å; L293-F299 HydrophobicContact CB-CD1 4Å; L293-F299 HydrophobicContact CB-CD2 4.27Å; L293-F299 HydrophobicContact CB-CE1 3.94Å; L293-F299 HydrophobicContact CB-CE2 4.17Å; L293-F299 HydrophobicContact CB-CG 4.16Å; L293-F299 HydrophobicContact CB-CZ 3.97Å; L293-F299 HydrophobicContact CD1-CE2 4Å; L293-F299 HydrophobicContact CD1-CZ 3.9Å; L293-F299 HydrophobicContact CD2-CD2 3.7Å; L293-F299 HydrophobicContact CD2-CE2 3.67Å; L293-F299 HydrophobicContact CD2-CG 4.32Å; L293-F299 HydrophobicContact CD2-CZ 4.29Å; L293-F299 HydrophobicContact CG-CD2 4.43Å; L293-F299 HydrophobicContact CG-CE2 4.15Å; L293-F299 HydrophobicContact CG-CZ 4.27Å; L293-F299 WeakPolarHBondContact O-CB 3.42Å; L293-F299 VanDerWaalsContact O-CD1 3.24Å; L293-F299 WeakPolarHBondContact O-CD1 3.29Å; L293-F299 WeakPolarHBondContact O-CG 3.38Å; L293-I305 HydrophobicContact CD1-CG2 4.25Å; L293-I309 HydrophobicContact CD1-CD1 3.21Å
294S85.6Confident81.4Confident79 Ų7964 Ų6455%0.55235%0.352SS*.Hα-helixtrans-73-28.6178.8-56.90000113.1I290 Q291 L292I290-S294 VanDerWaalsContact O-CB 3.3Å; I290-S294 WeakPolarHBondContact O-CB 3.36Å; I290-S294 PolarHBondContact O-N 3.4Å; I290-S294 PolarHBondContact O-OG 3.37Å; Q291-S294 PolarHBondContact O-N 2.89Å; L292-S294 VanDerWaalsContact C-N 3.31Å; L292-S294 PolarHBondContact O-N 2.96Å
295S83.6Confident80.6Confident89 Ų8962.2 Ų62.262%0.62234%0.343SS*.Hα-helixtrans-84.6-18.7178.556.90000114.1Q291 L292Q291-S295 PolarHBondContact O-N 3.36Å; Q291-S295 PolarHBondContact O-OG 2.9Å; L292-S295 PolarHBondContact O-N 3.05Å; L292-S295 PolarHBondContact O-OG 2.92Å
296N75Confident80Confident56 Ų5663.5 Ų63.530%0.29935%0.35SS..  trans-85121-172.9-84.4-17.3000112.3L292 W298 F299L292-N296 WeakPolarHBondContact O-CB 3.35Å; L292-N296 VanDerWaalsContact O-CG 3.27Å; L292-N296 PolarHBondContact O-N 3Å; L292-N296 PolarHBondContact O-ND2 3.36Å; N296-W298 HydrophobicContact CB-CG 4.42Å; N296-W298 PolarHBondContact ND2-NE1 3.05Å; N296-W298 PolarHBondContact O-N 2.04Å; N296-F299 HydrophobicContact CB-CB 4.41Å; N296-F299 WeakPolarHBondContact O-CB 3.4Å; N296-F299 PolarHBondContact O-N 3.11Å
297S65.4Low79.5Confident107 Ų10766.4 Ų66.475%0.74837%0.366SS*.G310 helixtrans-63.6-21.6-178.656.40000114.4F299 T300S297-F299 VanDerWaalsContact C-N 3.29Å; S297-T300 WeakPolarHBondContact O-CG2 3.29Å; S297-T300 PolarHBondContact O-OG1 3.34Å
298W67.7Low79.1Confident77 Ų7763.7 Ų63.729%0.29235%0.352SS..G310 helixtrans-77.8-14.7176.566.4-102.1000113.2L293 N296 T300 S447 L564L293-W298 HydrophobicContact CD2-CH2 4.29Å; L293-W298 HydrophobicContact CD2-CZ2 4.45Å; N296-W298 HydrophobicContact CB-CG 4.42Å; N296-W298 PolarHBondContact ND2-NE1 3.05Å; N296-W298 PolarHBondContact O-N 2.04Å; W298-T300 VanDerWaalsContact C-N 3.29Å; W298-T300 PolarHBondContact O-N 3.07Å; W298-S447 VanDerWaalsContact CE3-CB 3.45Å; W298-S447 WeakPolarHBondContact CZ3-OG 3.34Å; W298-L564 HydrophobicContact CH2-CD1 3.8Å; W298-L564 HydrophobicContact CH2-CD2 4.03Å; W298-L564 HydrophobicContact CH2-CG 3.63Å; W298-L564 HydrophobicContact CZ2-CD1 4.09Å; W298-L564 HydrophobicContact CZ2-CD2 4.47Å; W298-L564 HydrophobicContact CZ2-CG 3.71Å; W298-L564 WeakPolarHBondContact CZ2-OXT 3.24Å; W298-L564 HydrophobicContact CZ3-CD1 4.32Å; W298-L564 PolarHBondContact NE1-OXT 3.43Å; W298-L564 VanDerWaalsContact NE1-OXT 3.09Å
299F67.9Low78.8Confident14 Ų1463.6 Ų63.66%0.06135%0.351CS..G310 helixtrans-89.98.6-175.4-167.1-97.1000113.1L293 N296 S297 E301 N302 I305 I306L293-F299 HydrophobicContact CB-CD1 4Å; L293-F299 HydrophobicContact CB-CD2 4.27Å; L293-F299 HydrophobicContact CB-CE1 3.94Å; L293-F299 HydrophobicContact CB-CE2 4.17Å; L293-F299 HydrophobicContact CB-CG 4.16Å; L293-F299 HydrophobicContact CB-CZ 3.97Å; L293-F299 HydrophobicContact CD1-CE2 4Å; L293-F299 HydrophobicContact CD1-CZ 3.9Å; L293-F299 HydrophobicContact CD2-CD2 3.7Å; L293-F299 HydrophobicContact CD2-CE2 3.67Å; L293-F299 HydrophobicContact CD2-CG 4.32Å; L293-F299 HydrophobicContact CD2-CZ 4.29Å; L293-F299 HydrophobicContact CG-CD2 4.43Å; L293-F299 HydrophobicContact CG-CE2 4.15Å; L293-F299 HydrophobicContact CG-CZ 4.27Å; L293-F299 WeakPolarHBondContact O-CB 3.42Å; L293-F299 VanDerWaalsContact O-CD1 3.24Å; L293-F299 WeakPolarHBondContact O-CD1 3.29Å; L293-F299 WeakPolarHBondContact O-CG 3.38Å; N296-F299 HydrophobicContact CB-CB 4.41Å; N296-F299 WeakPolarHBondContact O-CB 3.4Å; N296-F299 PolarHBondContact O-N 3.11Å; S297-F299 VanDerWaalsContact C-N 3.29Å; F299-E301 PolarHBondContact O-N 3.16Å; F299-N302 PolarHBondContact O-N 3.45Å; F299-I305 HydrophobicContact CE2-CB 4.1Å; F299-I305 HydrophobicContact CE2-CD1 4.09Å; F299-I305 HydrophobicContact CE2-CG2 3.94Å; F299-I305 HydrophobicContact CZ-CB 3.68Å; F299-I305 HydrophobicContact CZ-CD1 4.47Å; F299-I305 HydrophobicContact CZ-CG2 3.74Å; F299-I306 HydrophobicContact CD1-CD1 4.31Å; F299-I306 HydrophobicContact CE1-CD1 3.61Å; F299-I306 HydrophobicContact CE1-CG1 3.63Å; F299-I306 HydrophobicContact CZ-CD1 4.49Å; F299-I306 HydrophobicContact CZ-CG1 4.04Å
300T56.5Low78.7Confident110 Ų11068.3 Ų68.368%0.67537%0.371SS*.THydrogen-bonded Turntrans-59.9-15.1-170.5400000115.7S297 W298S297-T300 WeakPolarHBondContact O-CG2 3.29Å; S297-T300 PolarHBondContact O-OG1 3.34Å; W298-T300 VanDerWaalsContact C-N 3.29Å; W298-T300 PolarHBondContact O-N 3.07Å
301E56.1Low78.7Confident183 Ų18371.2 Ų71.286%0.85539%0.387SS*.THydrogen-bonded Turntrans-108.6-2.7-170.8-67-175.4163.800115.4F299F299-E301 PolarHBondContact O-N 3.16Å
302N63.1Low78.8Confident65 Ų6566.4 Ų66.435%0.34837%0.365SS..  trans-130.956.1-168.4-133.7-18000115.3F299 G304 I305F299-N302 PolarHBondContact O-N 3.45Å; N302-G304 PolarHBondContact O-N 3.03Å; N302-I305 HydrophobicContact CB-CD1 3.91Å; N302-I305 HydrophobicContact CB-CG1 4.22Å; N302-I305 WeakPolarHBondContact ND2-CD1 3.38Å; N302-I305 PolarHBondContact O-N 3.32Å
303K67.2Low79Confident172 Ų17267.6 Ų67.675%0.74837%0.371SS*.Hα-helixtrans-50.1-31.9175.2-72.2-174.5178.8178.90113.4I305 I306 D307K303-I305 PolarHBondContact O-N 3.06Å; K303-I306 PolarHBondContact O-N 3.04Å; K303-I306 VanDerWaalsContact O-N 3.15Å; K303-D307 PolarHBondContact O-N 2.63Å
304G78.1Confident79.4Confident46 Ų4667.9 Ų67.947%0.47437%0.373SS..Hα-helixtrans-60.1-28177.700000114.3N302 K308N302-G304 PolarHBondContact O-N 3.03Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.22Å
305I81.5Confident79.8Confident1 Ų166 Ų661%0.00536%0.36CS..Hα-helixtrans-70.6-38.6177.1-67.6176.6000111L293 F299 N302 K303 K308 I309 V424 D427 F428L293-I305 HydrophobicContact CD1-CG2 4.25Å; F299-I305 HydrophobicContact CE2-CB 4.1Å; F299-I305 HydrophobicContact CE2-CD1 4.09Å; F299-I305 HydrophobicContact CE2-CG2 3.94Å; F299-I305 HydrophobicContact CZ-CB 3.68Å; F299-I305 HydrophobicContact CZ-CD1 4.47Å; F299-I305 HydrophobicContact CZ-CG2 3.74Å; N302-I305 HydrophobicContact CB-CD1 3.91Å; N302-I305 HydrophobicContact CB-CG1 4.22Å; N302-I305 WeakPolarHBondContact ND2-CD1 3.38Å; N302-I305 PolarHBondContact O-N 3.32Å; K303-I305 PolarHBondContact O-N 3.06Å; I305-K308 WeakPolarHBondContact O-CB 3.4Å; I305-K308 PolarHBondContact O-N 3.18Å; I305-I309 HydrophobicContact CG2-CD1 3.78Å; I305-I309 HydrophobicContact CG2-CG1 4.38Å; I305-I309 WeakPolarHBondContact O-CD1 3.38Å; I305-I309 VanDerWaalsContact O-CG1 3.26Å; I305-I309 WeakPolarHBondContact O-CG1 3.48Å; I305-I309 PolarHBondContact O-N 3.26Å; I305-V424 HydrophobicContact CG2-CG1 4.45Å; I305-V424 HydrophobicContact CG2-CG2 4.26Å; I305-D427 HydrophobicContact CG1-CB 4.45Å; I305-F428 HydrophobicContact CD1-CE1 4.49Å; I305-F428 HydrophobicContact CD1-CE2 4.13Å; I305-F428 HydrophobicContact CD1-CZ 3.85Å
306I86.1Confident80.3Confident26 Ų2662.9 Ų62.913%0.13334%0.336CS..Hα-helixtrans-63.1-45.2176.6-74.6168.6000110.2I290 F299 K303 K308 I309 K310I290-I306 HydrophobicContact CG2-CG2 4.24Å; F299-I306 HydrophobicContact CD1-CD1 4.31Å; F299-I306 HydrophobicContact CE1-CD1 3.61Å; F299-I306 HydrophobicContact CE1-CG1 3.63Å; F299-I306 HydrophobicContact CZ-CD1 4.49Å; F299-I306 HydrophobicContact CZ-CG1 4.04Å; K303-I306 PolarHBondContact O-N 3.04Å; K303-I306 VanDerWaalsContact O-N 3.15Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.05Å; I306-I309 PolarHBondContact O-N 3.39Å; I306-K310 HydrophobicContact CG2-CD 4.38Å; I306-K310 WeakPolarHBondContact O-CG 3.4Å; I306-K310 PolarHBondContact O-N 3.33Å
307D85.8Confident81.1Confident82 Ų8261.7 Ų61.744%0.43933%0.329SS..Hα-helixtrans-67.3-36.2179.3-66.7-27.7000111.6K303 K310 N311K303-D307 PolarHBondContact O-N 2.63Å; D307-K310 PolarHBondContact O-N 2.91Å; D307-K310 IonicContact OD1-NZ 3.6Å; D307-K310 PolarHBondContact OD1-NZ 3.31Å; D307-K310 VanDerWaalsContact OD1-NZ 3.14Å; D307-N311 PolarHBondContact O-N 2.86Å; D307-N311 PolarHBondContact O-ND2 3.1Å
308K86.8Confident82.4Confident20 Ų2057.3 Ų57.39%0.08730%0.298CS..Hα-helixtrans-56.9-52.3168.5170.5172.3-169.1-164.10111.7G304 I305 I306 K310 N311 I312 L381 Y385 A423 S426 D427G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.22Å; I305-K308 WeakPolarHBondContact O-CB 3.4Å; I305-K308 PolarHBondContact O-N 3.18Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.05Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 2.95Å; K308-N311 PolarHBondContact O-N 3.07Å; K308-N311 VanDerWaalsContact O-N 3.1Å; K308-I312 WeakPolarHBondContact O-CG1 3.33Å; K308-I312 PolarHBondContact O-N 3.2Å; K308-L381 VanDerWaalsContact CE-CD2 3.4Å; K308-Y385 HydrophobicContact CB-CE1 4.37Å; K308-Y385 HydrophobicContact CD-CE1 4.3Å; K308-Y385 HydrophobicContact CG-CD1 4.06Å; K308-Y385 HydrophobicContact CG-CE1 3.77Å; K308-A423 PolarHBondContact NZ-O 3.17Å; K308-S426 PolarHBondContact NZ-OG 2.94Å; K308-S426 VanDerWaalsContact NZ-OG 3.08Å; K308-D427 WeakPolarHBondContact CD-OD2 3.47Å; K308-D427 IonicContact NZ-OD1 2.7Å; K308-D427 PolarHBondContact NZ-OD1 3.37Å; K308-D427 IonicContact NZ-OD2 2.63Å; K308-D427 PolarHBondContact NZ-OD2 2.98Å
309I91.3Very high83.6Confident1 Ų154.6 Ų54.61%0.00529%0.291CS..Hα-helixtrans-60.3-42.3-178-67.8159.3000111.1K286 L289 I290 L293 I305 I306 N311 I312 V424K286-I309 WeakPolarHBondContact CE-O 2.93Å; K286-I309 HydrophobicContact CG-CG2 4.42Å; L289-I309 HydrophobicContact CD2-CD1 3.79Å; L289-I309 HydrophobicContact CD2-CG1 4.21Å; L289-I309 HydrophobicContact CD2-CG2 4.17Å; L289-I309 HydrophobicContact CG-CD1 4.01Å; I290-I309 HydrophobicContact CD1-CG2 4.13Å; I290-I309 HydrophobicContact CG1-CB 4.42Å; I290-I309 HydrophobicContact CG1-CG2 3.84Å; L293-I309 HydrophobicContact CD1-CD1 3.21Å; I305-I309 HydrophobicContact CG2-CD1 3.78Å; I305-I309 HydrophobicContact CG2-CG1 4.38Å; I305-I309 WeakPolarHBondContact O-CD1 3.38Å; I305-I309 VanDerWaalsContact O-CG1 3.26Å; I305-I309 WeakPolarHBondContact O-CG1 3.48Å; I305-I309 PolarHBondContact O-N 3.26Å; I306-I309 PolarHBondContact O-N 3.39Å; I309-N311 PolarHBondContact O-N 2.73Å; I309-I312 PolarHBondContact O-N 3.17Å; I309-I312 VanDerWaalsContact O-N 3.07Å; I309-V424 HydrophobicContact CD1-CG2 3.87Å; I309-V424 HydrophobicContact CG1-CG2 4.32Å
310K92.4Very high84.8Confident104 Ų10461.1 Ų61.145%0.45232%0.322SS..Hα-helixtrans-55.2-40176.6-73.9172.7-172.7161.20111.9K286 I290 I306 D307 K308 I312K286-K310 PolarHBondContact NZ-O 3.11Å; I290-K310 HydrophobicContact CD1-CG 3.76Å; I306-K310 HydrophobicContact CG2-CD 4.38Å; I306-K310 WeakPolarHBondContact O-CG 3.4Å; I306-K310 PolarHBondContact O-N 3.33Å; D307-K310 PolarHBondContact O-N 2.91Å; D307-K310 IonicContact OD1-NZ 3.6Å; D307-K310 PolarHBondContact OD1-NZ 3.31Å; D307-K310 VanDerWaalsContact OD1-NZ 3.14Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 2.95Å; K310-I312 VanDerWaalsContact C-N 3.33Å
311N92.4Very high86.4Confident96 Ų9659.2 Ų59.251%0.51331%0.313SS..Hα-helixtrans-79.9-9.3-178.9-65.4-20.7000114.1D307 K308 I309 N313 Y385D307-N311 PolarHBondContact O-N 2.86Å; D307-N311 PolarHBondContact O-ND2 3.1Å; K308-N311 PolarHBondContact O-N 3.07Å; K308-N311 VanDerWaalsContact O-N 3.1Å; I309-N311 PolarHBondContact O-N 2.73Å; N311-N313 PolarHBondContact O-N 2.63Å; N311-N313 PolarHBondContact O-ND2 3.31Å; N311-Y385 HydrophobicContact CB-CG 4.47Å; N311-Y385 WeakPolarHBondContact O-CB 3.31Å
312I94.5Very high87.9Confident0 Ų051.3 Ų51.30%028%0.277CS..  trans-69.4125.4177.8-58.5178.9000109.7F282 K286 K308 I309 K310 L381 Y385 I387 L420 A423F282-I312 HydrophobicContact CE1-CG2 4.35Å; F282-I312 HydrophobicContact CZ-CG2 3.82Å; K286-I312 WeakPolarHBondContact CE-O 3.24Å; K286-I312 PolarHBondContact NZ-O 3.46Å; K308-I312 WeakPolarHBondContact O-CG1 3.33Å; K308-I312 PolarHBondContact O-N 3.2Å; I309-I312 PolarHBondContact O-N 3.17Å; I309-I312 VanDerWaalsContact O-N 3.07Å; K310-I312 VanDerWaalsContact C-N 3.33Å; I312-L381 HydrophobicContact CB-CD1 4.36Å; I312-L381 HydrophobicContact CD1-CD1 4.12Å; I312-L381 HydrophobicContact CD1-CD2 4.43Å; I312-L381 HydrophobicContact CG1-CD1 3.86Å; I312-L381 HydrophobicContact CG2-CD1 3.79Å; I312-Y385 CarbonylContact C-O 3.54Å; I312-Y385 VanDerWaalsContact CA-O 3.22Å; I312-Y385 WeakPolarHBondContact CA-O 3.37Å; I312-I387 HydrophobicContact CG2-CD1 3.73Å; I312-I387 HydrophobicContact CG2-CG1 4.02Å; I312-L420 HydrophobicContact CD1-CD2 4.22Å; I312-L420 HydrophobicContact CG2-CD2 4.36Å; I312-A423 HydrophobicContact CD1-CB 3.61Å
313N95.1Very high89.3Confident84 Ų8452.6 Ų52.645%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-111.6153.9173.7-59.5-53.9000111.1N311 Y385 N386 I387N311-N313 PolarHBondContact O-N 2.63Å; N311-N313 PolarHBondContact O-ND2 3.31Å; N313-Y385 PolarHBondContact N-O 2.69Å; N313-N386 WeakPolarHBondContact CB-OD1 3.45Å; N313-N386 WeakPolarHBondContact O-CA 3.21Å; N313-I387 PolarHBondContact O-N 3.3Å
314L95.3Very high90.4Very high14 Ų1444.4 Ų44.47%0.07325%0.248CC..EExtended strand (participates in β ladder)trans-102.2119.3169.7-175.674.9000109.1V278 L279 F282 I387 I389 M416V278-L314 HydrophobicContact CG1-CD2 4.06Å; L279-L314 HydrophobicContact CD2-CB 4.14Å; L279-L314 HydrophobicContact CD2-CD2 4.2Å; L279-L314 HydrophobicContact CD2-CG 4.44Å; L279-L314 WeakPolarHBondContact CD2-O 3.47Å; F282-L314 HydrophobicContact CB-CB 4.3Å; F282-L314 HydrophobicContact CB-CD2 3.83Å; F282-L314 HydrophobicContact CD1-CB 3.55Å; F282-L314 HydrophobicContact CD2-CB 4.05Å; F282-L314 HydrophobicContact CD2-CD1 4.18Å; F282-L314 HydrophobicContact CD2-CD2 4.15Å; F282-L314 HydrophobicContact CD2-CG 4.37Å; F282-L314 HydrophobicContact CE1-CB 3.75Å; F282-L314 HydrophobicContact CE2-CB 4.26Å; F282-L314 HydrophobicContact CE2-CD1 4.26Å; F282-L314 HydrophobicContact CG-CB 3.7Å; F282-L314 HydrophobicContact CG-CD2 3.96Å; F282-L314 HydrophobicContact CG-CG 4.3Å; F282-L314 HydrophobicContact CZ-CB 4.11Å; L314-I387 CarbonylContact C-O 3.55Å; L314-I387 WeakPolarHBondContact CA-O 3.48Å; L314-I387 HydrophobicContact CD1-CB 4.26Å; L314-I387 HydrophobicContact CD1-CG2 3.97Å; L314-I389 HydrophobicContact CD1-CB 4.12Å; L314-I389 HydrophobicContact CD1-CG2 3.76Å; L314-I389 HydrophobicContact CD2-CG2 4.05Å; L314-I389 HydrophobicContact CG-CG2 3.99Å; L314-M416 HydrophobicContact CD2-CE 3.49Å; L314-M416 VanDerWaalsContact CD2-CE 3.49Å; L314-M416 HydrophobicContact CD2-SD 4.27Å
315S93.5Very high91.1Very high40 Ų4048.1 Ų48.128%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-104.2138.2172.5-720000109.7I387 H388 I389S315-I387 PolarHBondContact N-O 3.14Å; S315-H388 WeakPolarHBondContact CB-ND1 3.36Å; S315-H388 CarbonylContact O-C 3.54Å; S315-H388 VanDerWaalsContact O-CA 3.28Å; S315-H388 WeakPolarHBondContact O-CA 3.44Å; S315-I389 PolarHBondContact O-N 2.67Å
316I93.9Very high91.5Very high22 Ų2252.5 Ų52.511%0.11327%0.272CS..EExtended strand (participates in β ladder)trans-102.2117.6178.7-66.3163.2000109I270 K275 V278 L279 S321 I389 T391 L394I270-I316 HydrophobicContact CG2-CG2 4.36Å; K275-I316 HydrophobicContact CB-CD1 4.47Å; K275-I316 HydrophobicContact CG-CD1 3.75Å; V278-I316 HydrophobicContact CG1-CD1 4.2Å; L279-I316 HydrophobicContact CG-CD1 4.43Å; I316-S321 PolarHBondContact O-OG 3.39Å; I316-I389 CarbonylContact C-O 3.46Å; I316-I389 VanDerWaalsContact CA-O 3.27Å; I316-I389 WeakPolarHBondContact CA-O 3.47Å; I316-I389 HydrophobicContact CG1-CG2 3.77Å; I316-T391 HydrophobicContact CG2-CG2 3.83Å; I316-L394 HydrophobicContact CD1-CD1 3.94Å; I316-L394 HydrophobicContact CG1-CD1 4.01Å; I316-L394 HydrophobicContact CG2-CD1 3.77Å
317I91.8Very high91.7Very high31 Ų3155.1 Ų55.116%0.15928%0.28CS..EExtended strand (participates in β ladder)trans-78.7121172.3-54.9172.1000107.5L322 S373 Y377 H388 I389 T391I317-L322 HydrophobicContact CG2-CD1 3.74Å; I317-L322 HydrophobicContact CG2-CD2 3.94Å; I317-L322 HydrophobicContact CG2-CG 3.81Å; I317-S373 WeakPolarHBondContact O-CB 3.48Å; I317-Y377 HydrophobicContact CD1-CD1 4.14Å; I317-Y377 HydrophobicContact CD1-CE1 4.18Å; I317-H388 HydrophobicContact CD1-CB 3.74Å; I317-H388 HydrophobicContact CG1-CB 3.96Å; I317-I389 PolarHBondContact N-O 3.22Å; I317-T391 WeakPolarHBondContact O-CG2 3.39Å; I317-T391 PolarHBondContact O-N 3.46Å; I317-T391 PolarHBondContact O-OG1 3.24Å
318S93.7Very high92Very high15 Ų1552.1 Ų52.111%0.10526%0.263CS..  trans-140.3170.2179.661.80000110.3S268 E320 S321 L322S268-S318 WeakPolarHBondContact O-CA 2.82Å; S268-S318 WeakPolarHBondContact O-CB 3.31Å; S318-E320 PolarHBondContact O-N 2.92Å; S318-S321 PolarHBondContact N-OG 2.94Å; S318-S321 PolarHBondContact O-N 3.2Å; S318-S321 PolarHBondContact O-OG 3.13Å; S318-S321 VanDerWaalsContact O-OG 3.04Å; S318-S321 PolarHBondContact OG-N 2.97Å; S318-S321 PolarHBondContact OG-OG 2.86Å; S318-L322 WeakPolarHBondContact O-CB 3.45Å; S318-L322 VanDerWaalsContact O-CG 3.28Å; S318-L322 WeakPolarHBondContact O-CG 3.45Å; S318-L322 PolarHBondContact O-N 3.29Å
319S93.6Very high92.2Very high21 Ų2156.6 Ų56.615%0.14729%0.288CS..THydrogen-bonded Turntrans-53.9-37172.21710000112.7E262 S268 N323 A324 S373E262-S319 WeakPolarHBondContact O-CB 3.15Å; E262-S319 PolarHBondContact O-OG 2.88Å; E262-S319 WeakPolarHBondContact OE1-CA 3.35Å; E262-S319 PolarHBondContact OE1-N 3.08Å; S268-S319 PolarHBondContact O-N 3.05Å; S319-N323 PolarHBondContact O-N 3.13Å; S319-A324 WeakPolarHBondContact O-CB 3.23Å; S319-A324 PolarHBondContact O-N 3.36Å; S319-A324 WeakPolarHBondContact OG-CB 3.49Å; S319-S373 PolarHBondContact N-OG 2.9Å
320E91.7Very high92Very high151 Ų15163 Ų6371%0.70632%0.316SS*.THydrogen-bonded Turntrans-70.8-50.8179.7-174.9179.1-175.600111S318 L322 N323S318-E320 PolarHBondContact O-N 2.92Å; E320-L322 PolarHBondContact O-N 3.16Å; E320-L322 VanDerWaalsContact O-N 3.16Å; E320-N323 PolarHBondContact O-N 2.87Å; E320-N323 PolarHBondContact O-OD1 3.18Å
321S90Very high91.9Very high70 Ų7058.4 Ų58.449%0.4930%0.296SS..THydrogen-bonded Turntrans-63.9-23.6179.768.50000113I316 S318I316-S321 PolarHBondContact O-OG 3.39Å; S318-S321 PolarHBondContact N-OG 2.94Å; S318-S321 PolarHBondContact O-N 3.2Å; S318-S321 PolarHBondContact O-OG 3.13Å; S318-S321 VanDerWaalsContact O-OG 3.04Å; S318-S321 PolarHBondContact OG-N 2.97Å; S318-S321 PolarHBondContact OG-OG 2.86Å
322L89.1Confident91.9Very high16 Ų1654.7 Ų54.78%0.08428%0.276CS..THydrogen-bonded Turntrans-86.3-3.9175.4-68.5177.1000113.5W259 E262 I317 S318 E320 A324 R327 P369W259-L322 HydrophobicContact CZ3-CB 4.31Å; W259-L322 HydrophobicContact CZ3-CD1 4.44Å; E262-L322 HydrophobicContact CG-CD1 4.42Å; I317-L322 HydrophobicContact CG2-CD1 3.74Å; I317-L322 HydrophobicContact CG2-CD2 3.94Å; I317-L322 HydrophobicContact CG2-CG 3.81Å; S318-L322 WeakPolarHBondContact O-CB 3.45Å; S318-L322 VanDerWaalsContact O-CG 3.28Å; S318-L322 WeakPolarHBondContact O-CG 3.45Å; S318-L322 PolarHBondContact O-N 3.29Å; E320-L322 PolarHBondContact O-N 3.16Å; E320-L322 VanDerWaalsContact O-N 3.16Å; L322-A324 PolarHBondContact O-N 3.14Å; L322-R327 VanDerWaalsContact O-CD 3.28Å; L322-R327 WeakPolarHBondContact O-CD 3.25Å; L322-R327 PolarHBondContact O-NE 3.06Å; L322-P369 HydrophobicContact CD2-CB 4.36Å; L322-P369 HydrophobicContact CD2-CG 3.89Å
323N90.8Very high91.9Very high92 Ų9254.7 Ų54.749%0.49228%0.276SS..THydrogen-bonded Turntrans5142.5-171.8-63-24.7000112.2S319 E320 K325 E326 R327S319-N323 PolarHBondContact O-N 3.13Å; E320-N323 PolarHBondContact O-N 2.87Å; E320-N323 PolarHBondContact O-OD1 3.18Å; N323-K325 PolarHBondContact O-N 3.31Å; N323-K325 VanDerWaalsContact O-N 3.1Å; N323-E326 HydrophobicContact CB-CB 4.25Å; N323-E326 PolarHBondContact O-N 2.77Å; N323-R327 PolarHBondContact O-N 3.15Å
324A91.5Very high91.8Very high1 Ų154.8 Ų54.81%0.00827%0.272CS..Hα-helixtrans-54.6-37.5-169.800000113.2W259 E262 R263 S319 L322 R327 E328W259-A324 HydrophobicContact CE3-CB 4.22Å; E262-A324 HydrophobicContact CB-CB 4.27Å; E262-A324 HydrophobicContact CG-CB 3.7Å; R263-A324 HydrophobicContact CB-CB 4.39Å; S319-A324 WeakPolarHBondContact O-CB 3.23Å; S319-A324 PolarHBondContact O-N 3.36Å; S319-A324 WeakPolarHBondContact OG-CB 3.49Å; L322-A324 PolarHBondContact O-N 3.14Å; A324-R327 PolarHBondContact O-N 3.18Å; A324-E328 VanDerWaalsContact O-CB 3.32Å; A324-E328 WeakPolarHBondContact O-CB 3.49Å; A324-E328 PolarHBondContact O-N 3.18Å
325K92.1Very high91.7Very high124 Ų12457.3 Ų57.354%0.53929%0.286SS..Hα-helixtrans-62.9-42.1176.4-176.8-179.7178.7-175.70112.7N323 N329N323-K325 PolarHBondContact O-N 3.31Å; N323-K325 VanDerWaalsContact O-N 3.1Å; K325-N329 PolarHBondContact O-N 3.2Å; K325-N329 VanDerWaalsContact O-N 3.1Å; K325-N329 PolarHBondContact O-ND2 3.36Å; K325-N329 PolarHBondContact O-OD1 2.89Å
326E91.1Very high91.7Very high92 Ų9256.7 Ų56.743%0.4328%0.279SS..Hα-helixtrans-68.6-40.3178.4-169.6-171.3162.300110.9N323 N329 K330N323-E326 HydrophobicContact CB-CB 4.25Å; N323-E326 PolarHBondContact O-N 2.77Å; E326-N329 PolarHBondContact O-N 2.97Å; E326-K330 HydrophobicContact CG-CD 4.4Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.36Å; E326-K330 WeakPolarHBondContact OE1-CE 3.45Å; E326-K330 IonicContact OE1-NZ 2.77Å; E326-K330 PolarHBondContact OE1-NZ 2.79Å
327R89.4Confident91.7Very high81 Ų8163.6 Ų63.631%0.30631%0.308SS..Hα-helixtrans-67.1-41.3177.5-64.4-174.9179.5-155.51.1112.3W259 L322 N323 A324 N329 K330 D331W259-R327 HydrophobicContact CD2-CB 3.56Å; W259-R327 HydrophobicContact CD2-CG 4.44Å; W259-R327 HydrophobicContact CE3-CB 3.96Å; W259-R327 HydrophobicContact CG-CB 3.8Å; W259-R327 VanDerWaalsContact CH2-CD 3.44Å; W259-R327 HydrophobicContact CZ2-CB 4.38Å; W259-R327 VanDerWaalsContact CZ2-CD 3.47Å; W259-R327 VanDerWaalsContact CZ2-NH1 3.29Å; L322-R327 VanDerWaalsContact O-CD 3.28Å; L322-R327 WeakPolarHBondContact O-CD 3.25Å; L322-R327 PolarHBondContact O-NE 3.06Å; N323-R327 PolarHBondContact O-N 3.15Å; A324-R327 PolarHBondContact O-N 3.18Å; R327-N329 VanDerWaalsContact C-N 3.33Å; R327-N329 PolarHBondContact O-N 3.4Å; R327-K330 CarbonylContact O-C 3.34Å; R327-K330 PolarHBondContact O-N 3.3Å; R327-K330 VanDerWaalsContact O-N 3.15Å; R327-D331 PolarHBondContact O-N 2.54Å
328E91.5Very high91.8Very high19 Ų1962.2 Ų62.29%0.08930%0.302CS..Hα-helixtrans-57.2-47171.9-174.2-175.4-153.500111W259 T260 R263 A324 K330 D331 F334W259-E328 HydrophobicContact CB-CB 3.79Å; W259-E328 HydrophobicContact CB-CG 4.45Å; T260-E328 WeakPolarHBondContact CA-OE1 3.48Å; T260-E328 VanDerWaalsContact CB-OE1 3.32Å; T260-E328 WeakPolarHBondContact CB-OE1 2.96Å; T260-E328 WeakPolarHBondContact CG2-OE1 3.36Å; T260-E328 PolarHBondContact OG1-OE1 2.81Å; R263-E328 WeakPolarHBondContact CD-OE2 3.49Å; R263-E328 IonicContact CZ-OE2 3.91Å; R263-E328 IonicContact NE-OE2 3.2Å; R263-E328 IonicContact NH1-OE2 3.75Å; R263-E328 PolarHBondContact NH1-OE2 3.3Å; A324-E328 VanDerWaalsContact O-CB 3.32Å; A324-E328 WeakPolarHBondContact O-CB 3.49Å; A324-E328 PolarHBondContact O-N 3.18Å; E328-K330 PolarHBondContact O-N 3.07Å; E328-D331 WeakPolarHBondContact O-CB 3.34Å; E328-D331 PolarHBondContact O-N 2.77Å; E328-D331 VanDerWaalsContact O-N 3.09Å; E328-F334 HydrophobicContact CG-CE2 3.55Å; E328-F334 HydrophobicContact CG-CZ 3.92Å; E328-F334 VanDerWaalsContact O-CD2 3.31Å; E328-F334 WeakPolarHBondContact O-CD2 3.5Å; E328-F334 WeakPolarHBondContact O-CE2 3.41Å
329N91Very high91.8Very high114 Ų11464.6 Ų64.661%0.6131%0.313SS*.Hα-helixtrans-63.7-22.5179.4-70.1-17.1000113.7K325 E326 R327K325-N329 PolarHBondContact O-N 3.2Å; K325-N329 VanDerWaalsContact O-N 3.1Å; K325-N329 PolarHBondContact O-ND2 3.36Å; K325-N329 PolarHBondContact O-OD1 2.89Å; E326-N329 PolarHBondContact O-N 2.97Å; R327-N329 VanDerWaalsContact C-N 3.33Å; R327-N329 PolarHBondContact O-N 3.4Å
330K88.4Confident91.7Very high137 Ų13768.1 Ų68.160%0.59633%0.327SS*.Hα-helixtrans-98.3-5.2178.3-70.4174.7174.7174.60112.8E326 R327 E328 F332E326-K330 HydrophobicContact CG-CD 4.4Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.36Å; E326-K330 WeakPolarHBondContact OE1-CE 3.45Å; E326-K330 IonicContact OE1-NZ 2.77Å; E326-K330 PolarHBondContact OE1-NZ 2.79Å; R327-K330 CarbonylContact O-C 3.34Å; R327-K330 PolarHBondContact O-N 3.3Å; R327-K330 VanDerWaalsContact O-N 3.15Å; E328-K330 PolarHBondContact O-N 3.07Å; K330-F332 PolarHBondContact O-N 3.09Å
331D90.3Very high91.5Very high7 Ų766.1 Ų66.14%0.03732%0.321CS..  trans-70.7124.8-175.1-164.7-33.3000110.9R327 E328 I333 F334 K357R327-D331 PolarHBondContact O-N 2.54Å; E328-D331 WeakPolarHBondContact O-CB 3.34Å; E328-D331 PolarHBondContact O-N 2.77Å; E328-D331 VanDerWaalsContact O-N 3.09Å; D331-I333 HydrophobicContact CB-CG2 4.13Å; D331-I333 PolarHBondContact O-N 3.23Å; D331-I333 WeakPolarHBondContact OD1-CG2 3.33Å; D331-I333 PolarHBondContact OD1-N 3.38Å; D331-F334 HydrophobicContact CB-CD2 4.02Å; D331-F334 HydrophobicContact CB-CE2 4.2Å; D331-F334 PolarHBondContact O-N 3.36Å; D331-F334 VanDerWaalsContact O-N 3.16Å; D331-K357 WeakPolarHBondContact OD1-CE 3.41Å; D331-K357 IonicContact OD1-NZ 3.14Å; D331-K357 PolarHBondContact OD1-NZ 2.66Å; D331-K357 WeakPolarHBondContact OD2-CE 3.37Å; D331-K357 IonicContact OD2-NZ 3.36Å; D331-K357 PolarHBondContact OD2-NZ 3.11Å
332F92.3Very high91.5Very high18 Ų1864.2 Ų64.28%0.07931%0.305CS..G310 helixtrans-59.3-19.1-180-59.8-72.8000113.4E171 L172 K330 F334 N335 T353 L356 K357 D360E171-F332 WeakPolarHBondContact O-CE1 3.45Å; L172-F332 HydrophobicContact CD2-CE1 4.36Å; L172-F332 HydrophobicContact CD2-CZ 3.99Å; K330-F332 PolarHBondContact O-N 3.09Å; F332-F334 PolarHBondContact O-N 2.78Å; F332-F334 VanDerWaalsContact O-N 3.11Å; F332-N335 VanDerWaalsContact O-CB 3.29Å; F332-N335 WeakPolarHBondContact O-CB 3.36Å; F332-N335 PolarHBondContact O-N 3.47Å; F332-T353 HydrophobicContact CB-CG2 4.14Å; F332-L356 HydrophobicContact CB-CB 4.16Å; F332-L356 HydrophobicContact CB-CD1 4.12Å; F332-L356 HydrophobicContact CD1-CB 4.16Å; F332-L356 HydrophobicContact CD1-CD1 4.14Å; F332-L356 HydrophobicContact CD2-CB 3.78Å; F332-L356 HydrophobicContact CE2-CB 4.19Å; F332-L356 HydrophobicContact CG-CB 3.77Å; F332-L356 HydrophobicContact CG-CD1 4.19Å; F332-K357 HydrophobicContact CD2-CG 3.86Å; F332-K357 HydrophobicContact CE2-CG 4.48Å; F332-D360 HydrophobicContact CE2-CB 3.64Å; F332-D360 HydrophobicContact CZ-CB 3.82Å
333I93.5Very high91.7Very high0 Ų063.5 Ų63.50%030%0.301CS..G310 helixtrans-59.6-24.1176.9-161.559.7000112.8F257 D331 M338 T353F257-I333 HydrophobicContact CD1-CG1 4.29Å; F257-I333 HydrophobicContact CD1-CG2 4.25Å; F257-I333 HydrophobicContact CE1-CG1 3.68Å; F257-I333 HydrophobicContact CE1-CG2 4.19Å; F257-I333 HydrophobicContact CZ-CG1 3.85Å; D331-I333 HydrophobicContact CB-CG2 4.13Å; D331-I333 PolarHBondContact O-N 3.23Å; D331-I333 WeakPolarHBondContact OD1-CG2 3.33Å; D331-I333 PolarHBondContact OD1-N 3.38Å; I333-M338 HydrophobicContact CD1-CE 3.6Å; I333-M338 HydrophobicContact CG1-CE 4.01Å; I333-M338 WeakPolarHBondContact O-CE 3.48Å; I333-T353 VanDerWaalsContact CA-OG1 3.28Å; I333-T353 WeakPolarHBondContact CA-OG1 3.33Å; I333-T353 HydrophobicContact CB-CG2 3.83Å; I333-T353 HydrophobicContact CD1-CG2 4.19Å; I333-T353 WeakPolarHBondContact CD1-OG1 3.47Å; I333-T353 PolarHBondContact N-OG1 2.91Å
334F93.8Very high91.7Very high85 Ų8559.1 Ų59.137%0.37328%0.278SS..G310 helixtrans-90.3-2.3178.3-61.9-71.4000114.1A2 F257 T260 E328 D331 F332 D336A2-F334 HydrophobicContact CB-CD1 4.19Å; A2-F334 HydrophobicContact CB-CE1 3.84Å; F257-F334 HydrophobicContact CD1-CZ 4.43Å; T260-F334 WeakPolarHBondContact OG1-CZ 3.42Å; E328-F334 HydrophobicContact CG-CE2 3.55Å; E328-F334 HydrophobicContact CG-CZ 3.92Å; E328-F334 VanDerWaalsContact O-CD2 3.31Å; E328-F334 WeakPolarHBondContact O-CD2 3.5Å; E328-F334 WeakPolarHBondContact O-CE2 3.41Å; D331-F334 HydrophobicContact CB-CD2 4.02Å; D331-F334 HydrophobicContact CB-CE2 4.2Å; D331-F334 PolarHBondContact O-N 3.36Å; D331-F334 VanDerWaalsContact O-N 3.16Å; F332-F334 PolarHBondContact O-N 2.78Å; F332-F334 VanDerWaalsContact O-N 3.11Å; F334-D336 PolarHBondContact O-N 3.01Å
335N92.4Very high91.8Very high67 Ų6759.5 Ų59.536%0.35828%0.28SS..SBendtrans-65.3-30.2171.3-73.15.5000111.1E171 F332E171-N335 PolarHBondContact OE2-ND2 2.87Å; F332-N335 VanDerWaalsContact O-CB 3.29Å; F332-N335 WeakPolarHBondContact O-CB 3.36Å; F332-N335 PolarHBondContact O-N 3.47Å
336D92.9Very high92Very high27 Ų2753.6 Ų53.614%0.14425%0.254CS..SBendtrans-115.1138-176.8-63.5-72.1000110.8F334 M338 Y349 K352F334-D336 PolarHBondContact O-N 3.01Å; D336-M338 PolarHBondContact O-N 3.31Å; D336-Y349 HydrophobicContact CB-CD1 3.68Å; D336-Y349 HydrophobicContact CB-CD2 3.51Å; D336-Y349 HydrophobicContact CB-CE1 3.93Å; D336-Y349 HydrophobicContact CB-CE2 3.75Å; D336-Y349 HydrophobicContact CB-CG 3.46Å; D336-Y349 VanDerWaalsContact CB-CG 3.46Å; D336-Y349 VanDerWaalsContact CG-CD1 3.48Å; D336-Y349 WeakPolarHBondContact OD1-CE1 3.2Å; D336-K352 IonicContact OD1-NZ 3.67Å; D336-K352 PolarHBondContact OD1-NZ 3.22Å; D336-K352 WeakPolarHBondContact OD2-CD 3.35Å; D336-K352 IonicContact OD2-NZ 3.22Å; D336-K352 PolarHBondContact OD2-NZ 3.48Å
337K94Very high92Very high167 Ų16749.3 Ų49.373%0.72624%0.235SC*.  trans-78.4116.8-177.5-176.8-178.3177.9-177.60110.8L339K337-L339 HydrophobicContact CD-CD2 4.09Å; K337-L339 HydrophobicContact CG-CD2 4.16Å
338M94.8Very high92.3Very high3 Ų346 Ų462%0.01522%0.223CC..  trans-72.4127.6173-58.1-63.4142.200111.6A2 N5 Y6 F257 I333 D336 N346 Y349A2-M338 HydrophobicContact CB-CB 4.19Å; A2-M338 HydrophobicContact CB-CG 3.96Å; N5-M338 HydrophobicContact CB-CB 4.13Å; N5-M338 PolarHBondContact ND2-O 3.16Å; Y6-M338 HydrophobicContact CD2-SD 3.92Å; F257-M338 HydrophobicContact CE1-CG 4.48Å; F257-M338 HydrophobicContact CZ-CG 3.98Å; F257-M338 HydrophobicContact CZ-SD 4.4Å; I333-M338 HydrophobicContact CD1-CE 3.6Å; I333-M338 HydrophobicContact CG1-CE 4.01Å; I333-M338 WeakPolarHBondContact O-CE 3.48Å; D336-M338 PolarHBondContact O-N 3.31Å; M338-N346 WeakPolarHBondContact CA-OD1 3.35Å; M338-N346 HydrophobicContact SD-CB 3.83Å; M338-Y349 HydrophobicContact CE-CD2 4.21Å; M338-Y349 HydrophobicContact CE-CG 4.44Å
339L93.3Very high92.5Very high64 Ų6446.6 Ų46.634%0.33522%0.224SC..  trans-108.7136.2-179.3-59178.4000111.1S9 K337 N341 N342 N346S9-L339 WeakPolarHBondContact CB-O 2.99Å; K337-L339 HydrophobicContact CD-CD2 4.09Å; K337-L339 HydrophobicContact CG-CD2 4.16Å; L339-N341 VanDerWaalsContact C-N 3.26Å; L339-N341 PolarHBondContact O-N 3.14Å; L339-N342 HydrophobicContact CB-CB 4.07Å; L339-N342 HydrophobicContact CD1-CB 4.42Å; L339-N342 PolarHBondContact O-N 2.95Å; L339-N346 PolarHBondContact N-OD1 3.22Å; L339-N346 PolarHBondContact O-ND2 3.35Å
340E91.9Very high92.6Very high95 Ų9541.4 Ų41.444%0.44420%0.197SC..THydrogen-bonded Turntrans-64.3-26.4-175.8-177174.6-175.900113.7Q8 S9Q8-E340 HydrophobicContact CB-CG 3.69Å; Q8-E340 HydrophobicContact CG-CG 4.43Å; Q8-E340 PolarHBondContact NE2-OE1 2.7Å; Q8-E340 VanDerWaalsContact OE1-CD 3.23Å; Q8-E340 PolarHBondContact OE1-OE1 2.78Å; S9-E340 WeakPolarHBondContact CA-O 3.41Å; S9-E340 WeakPolarHBondContact CB-O 3.44Å; S9-E340 PolarHBondContact N-O 3.39Å
341N88.4Confident92.8Very high109 Ų10936.2 Ų36.258%0.58318%0.175SC*.THydrogen-bonded Turntrans-108.54.9-175.463.1-14.5000114K24 L339K24-N341 WeakPolarHBondContact CE-O 3.48Å; K24-N341 PolarHBondContact NZ-O 3.44Å; L339-N341 VanDerWaalsContact C-N 3.26Å; L339-N341 PolarHBondContact O-N 3.14Å
342N89.9Confident93.1Very high30 Ų3036.4 Ų36.416%0.1618%0.175CC..  trans-127.976.9-173.8-164.4-13.8000112.5L339 T345 N346L339-N342 HydrophobicContact CB-CB 4.07Å; L339-N342 HydrophobicContact CD1-CB 4.42Å; L339-N342 PolarHBondContact O-N 2.95Å; N342-T345 VanDerWaalsContact CG-CB 3.42Å; N342-T345 VanDerWaalsContact CG-OG1 3.23Å; N342-T345 WeakPolarHBondContact ND2-CB 3.48Å; N342-T345 PolarHBondContact ND2-OG1 3.22Å; N342-T345 VanDerWaalsContact OD1-CB 3.31Å; N342-T345 WeakPolarHBondContact OD1-CB 3.35Å; N342-T345 PolarHBondContact OD1-N 3.42Å; N342-T345 PolarHBondContact OD1-OG1 3Å; N342-T345 VanDerWaalsContact OD1-OG1 3.06Å; N342-N346 PolarHBondContact O-N 2.89Å; N342-N346 VanDerWaalsContact O-N 3.14Å; N342-N346 PolarHBondContact O-ND2 2.84Å; N342-N346 PolarHBondContact O-OD1 3.43Å
343Y92.1Very high93.1Very high1 Ų135.6 Ų35.60%0.00417%0.172CC..Hα-helixtrans-62.8-46.6-178.8175.1-107.2000113.1Y6 S9 C10 N13 T225 Y229 E252 T345 N346 A347Y6-Y343 HydrophobicContact CE1-CE2 4.42Å; S9-Y343 WeakPolarHBondContact OG-CA 3.29Å; C10-Y343 VanDerWaalsContact CA-CD2 3.43Å; C10-Y343 HydrophobicContact CB-CD2 3.66Å; C10-Y343 HydrophobicContact CB-CE2 3.62Å; N13-Y343 HydrophobicContact CB-CD1 4.38Å; N13-Y343 HydrophobicContact CB-CG 4.16Å; T225-Y343 HydrophobicContact CG2-CD1 4.43Å; T225-Y343 HydrophobicContact CG2-CE1 3.42Å; T225-Y343 VanDerWaalsContact CG2-CE1 3.42Å; Y229-Y343 HydrophobicContact CD2-CE1 4.17Å; Y229-Y343 AromaticContact CE2-CD1 3.93Å; Y229-Y343 HydrophobicContact CE2-CD1 3.93Å; Y229-Y343 AromaticContact CE2-CE1 3.38Å; Y229-Y343 HydrophobicContact CE2-CE1 3.38Å; E252-Y343 VanDerWaalsContact CD-OH 3.29Å; E252-Y343 PolarHBondContact OE1-OH 3.42Å; E252-Y343 VanDerWaalsContact OE1-OH 3.08Å; E252-Y343 WeakPolarHBondContact OE2-CE2 3.47Å; E252-Y343 PolarHBondContact OE2-OH 3.44Å; Y343-T345 VanDerWaalsContact C-N 3.35Å; Y343-T345 PolarHBondContact O-N 2.84Å; Y343-N346 PolarHBondContact O-N 3.09Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; Y343-A347 HydrophobicContact CE1-CB 4.47Å; Y343-A347 WeakPolarHBondContact O-CB 3.45Å; Y343-A347 PolarHBondContact O-N 3.12Å
344F91.8Very high93Very high1 Ų139.3 Ų39.30%0.00419%0.188CC..Hα-helixtrans-65.1-37.8-175.5-60.8-68.1000112.4N13 R21 K24 I25 L28 T225 L226 Y229 F230 A347 Y348N13-F344 WeakPolarHBondContact OD1-CE2 3.23Å; R21-F344 HydrophobicContact CB-CE2 4.14Å; R21-F344 HydrophobicContact CB-CZ 4.35Å; K24-F344 HydrophobicContact CB-CD2 3.93Å; K24-F344 HydrophobicContact CB-CE2 4.3Å; I25-F344 HydrophobicContact CD1-CE1 4.34Å; I25-F344 HydrophobicContact CD1-CE2 4.29Å; I25-F344 HydrophobicContact CD1-CZ 4.11Å; I25-F344 HydrophobicContact CG1-CD1 4.32Å; I25-F344 HydrophobicContact CG1-CD2 3.89Å; I25-F344 HydrophobicContact CG1-CE1 4.35Å; I25-F344 HydrophobicContact CG1-CE2 3.92Å; I25-F344 HydrophobicContact CG1-CG 4.1Å; I25-F344 HydrophobicContact CG1-CZ 4.16Å; L28-F344 HydrophobicContact CD2-CB 3.82Å; T225-F344 HydrophobicContact CG2-CD1 4.34Å; L226-F344 HydrophobicContact CD2-CD1 4.13Å; L226-F344 HydrophobicContact CD2-CE1 3.83Å; Y229-F344 HydrophobicContact CD2-CE1 4.21Å; Y229-F344 HydrophobicContact CD2-CZ 4.33Å; F230-F344 HydrophobicContact CE2-CE1 4.43Å; F230-F344 AromaticContact CE2-CZ 3.85Å; F230-F344 HydrophobicContact CE2-CZ 3.85Å; F344-A347 PolarHBondContact O-N 2.92Å; F344-Y348 PolarHBondContact O-N 3.35Å
345T93.8Very high92.9Very high8 Ų836.2 Ų36.25%0.04918%0.175CC..Hα-helixtrans-65.2-44.7171.6-63.60000111.7L28 N342 Y343 A347 Y348 Y349L28-T345 WeakPolarHBondContact CD1-OG1 3.48Å; N342-T345 VanDerWaalsContact CG-CB 3.42Å; N342-T345 VanDerWaalsContact CG-OG1 3.23Å; N342-T345 WeakPolarHBondContact ND2-CB 3.48Å; N342-T345 PolarHBondContact ND2-OG1 3.22Å; N342-T345 VanDerWaalsContact OD1-CB 3.31Å; N342-T345 WeakPolarHBondContact OD1-CB 3.35Å; N342-T345 PolarHBondContact OD1-N 3.42Å; N342-T345 PolarHBondContact OD1-OG1 3Å; N342-T345 VanDerWaalsContact OD1-OG1 3.06Å; Y343-T345 VanDerWaalsContact C-N 3.35Å; Y343-T345 PolarHBondContact O-N 2.84Å; T345-A347 VanDerWaalsContact C-N 3.31Å; T345-A347 PolarHBondContact O-N 3.35Å; T345-Y348 WeakPolarHBondContact O-CB 3.23Å; T345-Y348 PolarHBondContact O-N 3.42Å; T345-Y349 HydrophobicContact CG2-CD2 3.88Å; T345-Y349 HydrophobicContact CG2-CE1 4.44Å; T345-Y349 HydrophobicContact CG2-CE2 3.29Å; T345-Y349 WeakPolarHBondContact O-CD2 3.48Å; T345-Y349 PolarHBondContact O-N 3.37Å
346N94.5Very high93Very high0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-61.5-39.8176.3-65.9-7.2000111.8Y6 S9 M338 L339 N342 Y343 Y349 S350Y6-N346 HydrophobicContact CD2-CB 3.71Å; Y6-N346 HydrophobicContact CE2-CB 3.81Å; S9-N346 PolarHBondContact OG-ND2 3.4Å; M338-N346 WeakPolarHBondContact CA-OD1 3.35Å; M338-N346 HydrophobicContact SD-CB 3.83Å; L339-N346 PolarHBondContact N-OD1 3.22Å; L339-N346 PolarHBondContact O-ND2 3.35Å; N342-N346 PolarHBondContact O-N 2.89Å; N342-N346 VanDerWaalsContact O-N 3.14Å; N342-N346 PolarHBondContact O-ND2 2.84Å; N342-N346 PolarHBondContact O-OD1 3.43Å; Y343-N346 PolarHBondContact O-N 3.09Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; N346-Y349 PolarHBondContact O-N 3.11Å; N346-S350 WeakPolarHBondContact O-CB 3.47Å; N346-S350 PolarHBondContact O-N 2.96Å
347A92.6Very high92.9Very high3 Ų333.1 Ų33.13%0.02516%0.157CC..Hα-helixtrans-64.4-39.3176.100000111.8M222 T225 Y343 F344 T345 S350 Q351M222-A347 HydrophobicContact CE-CB 4.07Å; T225-A347 HydrophobicContact CG2-CB 3.93Å; Y343-A347 HydrophobicContact CE1-CB 4.47Å; Y343-A347 WeakPolarHBondContact O-CB 3.45Å; Y343-A347 PolarHBondContact O-N 3.12Å; F344-A347 PolarHBondContact O-N 2.92Å; T345-A347 VanDerWaalsContact C-N 3.31Å; T345-A347 PolarHBondContact O-N 3.35Å; A347-S350 WeakPolarHBondContact O-CB 3.32Å; A347-S350 PolarHBondContact O-N 3.18Å; A347-Q351 WeakPolarHBondContact O-CG 3.46Å; A347-Q351 PolarHBondContact O-N 2.9Å
348Y94.9Very high92.6Very high11 Ų1128.2 Ų28.24%0.04314%0.144CC..Hα-helixtrans-61.7-46.5171.4167-107.8000112L32 P67 F70 Q71 F218 F344 T345 S350 Q351 K352L32-Y348 HydrophobicContact CD1-CD1 4.2Å; L32-Y348 HydrophobicContact CD1-CD2 4.35Å; L32-Y348 HydrophobicContact CD1-CE1 4.24Å; L32-Y348 HydrophobicContact CD1-CE2 4.4Å; L32-Y348 HydrophobicContact CD1-CG 4.25Å; L32-Y348 HydrophobicContact CD2-CD1 4.28Å; L32-Y348 HydrophobicContact CD2-CE1 3.77Å; P67-Y348 WeakPolarHBondContact CA-OH 3.43Å; P67-Y348 HydrophobicContact CB-CE2 4.32Å; P67-Y348 WeakPolarHBondContact O-CE2 3.48Å; F70-Y348 HydrophobicContact CB-CE2 4.47Å; Q71-Y348 HydrophobicContact CG-CD2 3.97Å; Q71-Y348 HydrophobicContact CG-CE2 3.96Å; F218-Y348 AromaticContact CE2-CD2 3.56Å; F218-Y348 HydrophobicContact CE2-CD2 3.56Å; F218-Y348 AromaticContact CE2-CE2 3.78Å; F218-Y348 HydrophobicContact CE2-CE2 3.78Å; F218-Y348 HydrophobicContact CE2-CG 4.41Å; F218-Y348 AromaticContact CZ-CD2 3.83Å; F218-Y348 HydrophobicContact CZ-CD2 3.83Å; F218-Y348 HydrophobicContact CZ-CE2 4.43Å; F218-Y348 HydrophobicContact CZ-CG 4.28Å; F344-Y348 PolarHBondContact O-N 3.35Å; T345-Y348 WeakPolarHBondContact O-CB 3.23Å; T345-Y348 PolarHBondContact O-N 3.42Å; Y348-S350 VanDerWaalsContact C-N 3.27Å; Y348-S350 PolarHBondContact O-N 2.88Å; Y348-Q351 WeakPolarHBondContact O-CB 3.4Å; Y348-Q351 PolarHBondContact O-N 3.2Å; Y348-Q351 VanDerWaalsContact O-N 3.09Å; Y348-K352 PolarHBondContact O-N 3.38Å
349Y95.3Very high92.4Very high31 Ų3128.1 Ų28.112%0.12214%0.144CC..Hα-helixtrans-64.1-32.2176.7-64.2-34.5000113.1D336 M338 T345 N346 K352 T353D336-Y349 HydrophobicContact CB-CD1 3.68Å; D336-Y349 HydrophobicContact CB-CD2 3.51Å; D336-Y349 HydrophobicContact CB-CE1 3.93Å; D336-Y349 HydrophobicContact CB-CE2 3.75Å; D336-Y349 HydrophobicContact CB-CG 3.46Å; D336-Y349 VanDerWaalsContact CB-CG 3.46Å; D336-Y349 VanDerWaalsContact CG-CD1 3.48Å; D336-Y349 WeakPolarHBondContact OD1-CE1 3.2Å; M338-Y349 HydrophobicContact CE-CD2 4.21Å; M338-Y349 HydrophobicContact CE-CG 4.44Å; T345-Y349 HydrophobicContact CG2-CD2 3.88Å; T345-Y349 HydrophobicContact CG2-CE1 4.44Å; T345-Y349 HydrophobicContact CG2-CE2 3.29Å; T345-Y349 WeakPolarHBondContact O-CD2 3.48Å; T345-Y349 PolarHBondContact O-N 3.37Å; N346-Y349 PolarHBondContact O-N 3.11Å; Y349-K352 PolarHBondContact O-N 3.41Å; Y349-T353 WeakPolarHBondContact O-CB 3.21Å; Y349-T353 PolarHBondContact O-N 3.23Å; Y349-T353 PolarHBondContact O-OG1 3.02Å
350S93.7Very high92.1Very high5 Ų527 Ų274%0.03514%0.138CC..Hα-helixtrans-60.4-47.2169159.20000111.7N256 N346 A347 Y348 T353 K354N256-S350 PolarHBondContact ND2-OG 3.48Å; N256-S350 VanDerWaalsContact OD1-CB 3.25Å; N256-S350 WeakPolarHBondContact OD1-CB 2.89Å; N256-S350 PolarHBondContact OD1-OG 3.37Å; N346-S350 WeakPolarHBondContact O-CB 3.47Å; N346-S350 PolarHBondContact O-N 2.96Å; A347-S350 WeakPolarHBondContact O-CB 3.32Å; A347-S350 PolarHBondContact O-N 3.18Å; Y348-S350 VanDerWaalsContact C-N 3.27Å; Y348-S350 PolarHBondContact O-N 2.88Å; S350-T353 WeakPolarHBondContact O-CB 3.36Å; S350-T353 PolarHBondContact O-N 3.08Å; S350-K354 WeakPolarHBondContact O-CG 3.39Å; S350-K354 PolarHBondContact O-N 3.31Å
351Q93Very high91.7Very high29 Ų2923.4 Ų23.414%0.13612%0.124CC..Hα-helixtrans-62-45.9176-67.1174.7-0.500111.7A347 Y348 T353 K354 L355A347-Q351 WeakPolarHBondContact O-CG 3.46Å; A347-Q351 PolarHBondContact O-N 2.9Å; Y348-Q351 WeakPolarHBondContact O-CB 3.4Å; Y348-Q351 PolarHBondContact O-N 3.2Å; Y348-Q351 VanDerWaalsContact O-N 3.09Å; Q351-T353 VanDerWaalsContact C-N 3.32Å; Q351-T353 PolarHBondContact O-N 2.91Å; Q351-K354 PolarHBondContact O-N 3.03Å; Q351-L355 PolarHBondContact O-N 3.21Å; Q351-L355 VanDerWaalsContact O-N 3.12Å
352K95.2Very high91.5Very high10 Ų1019.6 Ų19.64%0.04311%0.105CC..Hα-helixtrans-52.6-49.4172.9179-179.1172.9-1580111.7F70 E171 D336 Y348 Y349 K354 L355 L356F70-K352 HydrophobicContact CB-CB 4.13Å; F70-K352 HydrophobicContact CB-CD 4.47Å; F70-K352 HydrophobicContact CB-CG 3.94Å; F70-K352 HydrophobicContact CD1-CD 4.38Å; F70-K352 HydrophobicContact CD1-CG 3.86Å; F70-K352 HydrophobicContact CG-CD 4.29Å; F70-K352 HydrophobicContact CG-CG 4Å; F70-K352 WeakPolarHBondContact O-CA 3.21Å; F70-K352 PolarHBondContact O-N 2.77Å; E171-K352 IonicContact OE1-NZ 2.88Å; E171-K352 PolarHBondContact OE1-NZ 2.95Å; E171-K352 IonicContact OE2-NZ 2.77Å; E171-K352 PolarHBondContact OE2-NZ 3.04Å; D336-K352 IonicContact OD1-NZ 3.67Å; D336-K352 PolarHBondContact OD1-NZ 3.22Å; D336-K352 WeakPolarHBondContact OD2-CD 3.35Å; D336-K352 IonicContact OD2-NZ 3.22Å; D336-K352 PolarHBondContact OD2-NZ 3.48Å; Y348-K352 PolarHBondContact O-N 3.38Å; Y349-K352 PolarHBondContact O-N 3.41Å; K352-K354 PolarHBondContact O-N 3.37Å; K352-L355 PolarHBondContact O-N 3.34Å; K352-L356 HydrophobicContact CG-CD1 3.98Å; K352-L356 HydrophobicContact CG-CG 4.49Å; K352-L356 WeakPolarHBondContact O-CG 3.39Å; K352-L356 PolarHBondContact O-N 2.88Å
353T93.7Very high91.2Very high2 Ų219.8 Ų19.81%0.01211%0.106CC..Hα-helixtrans-59.3-47.7178.9-63.60000111.8F332 I333 Y349 S350 Q351 L355 L356 K357F332-T353 HydrophobicContact CB-CG2 4.14Å; I333-T353 VanDerWaalsContact CA-OG1 3.28Å; I333-T353 WeakPolarHBondContact CA-OG1 3.33Å; I333-T353 HydrophobicContact CB-CG2 3.83Å; I333-T353 HydrophobicContact CD1-CG2 4.19Å; I333-T353 WeakPolarHBondContact CD1-OG1 3.47Å; I333-T353 PolarHBondContact N-OG1 2.91Å; Y349-T353 WeakPolarHBondContact O-CB 3.21Å; Y349-T353 PolarHBondContact O-N 3.23Å; Y349-T353 PolarHBondContact O-OG1 3.02Å; S350-T353 WeakPolarHBondContact O-CB 3.36Å; S350-T353 PolarHBondContact O-N 3.08Å; Q351-T353 VanDerWaalsContact C-N 3.32Å; Q351-T353 PolarHBondContact O-N 2.91Å; T353-L355 VanDerWaalsContact C-N 3.29Å; T353-L355 PolarHBondContact O-N 3.39Å; T353-L356 PolarHBondContact O-N 3.25Å; T353-K357 HydrophobicContact CG2-CD 4.15Å; T353-K357 HydrophobicContact CG2-CG 4.36Å; T353-K357 WeakPolarHBondContact O-CG 3.45Å; T353-K357 PolarHBondContact O-N 3.27Å
354K91.6Very high90.4Very high78 Ų7823.6 Ų23.634%0.33912%0.124SC..Hα-helixtrans-59.5-41.8-179.4-71.4175.3-171.4-175.20111.6E255 S350 Q351 K352 S358E255-K354 VanDerWaalsContact CD-CE 3.48Å; E255-K354 VanDerWaalsContact OE1-CE 3.23Å; E255-K354 WeakPolarHBondContact OE1-CE 3.2Å; E255-K354 IonicContact OE1-NZ 3.87Å; E255-K354 PolarHBondContact OE1-NZ 3.48Å; E255-K354 IonicContact OE2-NZ 2.72Å; E255-K354 PolarHBondContact OE2-NZ 3.15Å; S350-K354 WeakPolarHBondContact O-CG 3.39Å; S350-K354 PolarHBondContact O-N 3.31Å; Q351-K354 PolarHBondContact O-N 3.03Å; K352-K354 PolarHBondContact O-N 3.37Å; K354-S358 PolarHBondContact O-N 3.13Å; K354-S358 VanDerWaalsContact O-N 3.09Å
355L92.2Very high89.3Confident19 Ų1931.9 Ų31.910%0.09916%0.16CC..Hα-helixtrans-64.6-48.3175.7-175.175.2000111.9I69 Q351 K352 T353 K357 S358 F359I69-L355 WeakPolarHBondContact O-CD2 3.43Å; Q351-L355 PolarHBondContact O-N 3.21Å; Q351-L355 VanDerWaalsContact O-N 3.12Å; K352-L355 PolarHBondContact O-N 3.34Å; T353-L355 VanDerWaalsContact C-N 3.29Å; T353-L355 PolarHBondContact O-N 3.39Å; L355-K357 VanDerWaalsContact C-N 3.33Å; L355-K357 PolarHBondContact O-N 3.12Å; L355-S358 WeakPolarHBondContact O-CB 3.2Å; L355-S358 PolarHBondContact O-N 3.3Å; L355-S358 VanDerWaalsContact O-N 3.12Å; L355-F359 HydrophobicContact CD1-CD1 4.4Å; L355-F359 HydrophobicContact CD1-CE1 3.7Å; L355-F359 HydrophobicContact CD1-CE2 4.33Å; L355-F359 HydrophobicContact CD1-CZ 3.67Å; L355-F359 HydrophobicContact CD2-CE2 4.07Å; L355-F359 HydrophobicContact CD2-CZ 4.12Å; L355-F359 HydrophobicContact CG-CD2 4.42Å; L355-F359 HydrophobicContact CG-CE1 4.16Å; L355-F359 HydrophobicContact CG-CE2 4.01Å; L355-F359 HydrophobicContact CG-CZ 3.87Å; L355-F359 PolarHBondContact O-N 3.23Å
356L93.3Very high87.8Confident1 Ų139.2 Ų39.21%0.00519%0.188CC..Hα-helixtrans-59.9-43.2179.9-69.4174.4000111.5F70 E171 L172 F332 K352 T353 S358 F359 D360F70-L356 HydrophobicContact CE1-CD2 4.19Å; E171-L356 HydrophobicContact CB-CD1 4.01Å; E171-L356 HydrophobicContact CB-CD2 3.89Å; L172-L356 HydrophobicContact CD2-CB 4.12Å; L172-L356 HydrophobicContact CD2-CD2 3.7Å; L172-L356 WeakPolarHBondContact CD2-O 2.98Å; L172-L356 HydrophobicContact CG-CD2 3.89Å; F332-L356 HydrophobicContact CB-CB 4.16Å; F332-L356 HydrophobicContact CB-CD1 4.12Å; F332-L356 HydrophobicContact CD1-CB 4.16Å; F332-L356 HydrophobicContact CD1-CD1 4.14Å; F332-L356 HydrophobicContact CD2-CB 3.78Å; F332-L356 HydrophobicContact CE2-CB 4.19Å; F332-L356 HydrophobicContact CG-CB 3.77Å; F332-L356 HydrophobicContact CG-CD1 4.19Å; K352-L356 HydrophobicContact CG-CD1 3.98Å; K352-L356 HydrophobicContact CG-CG 4.49Å; K352-L356 WeakPolarHBondContact O-CG 3.39Å; K352-L356 PolarHBondContact O-N 2.88Å; T353-L356 PolarHBondContact O-N 3.25Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 3.49Å; L356-F359 PolarHBondContact O-N 2.73Å; L356-D360 WeakPolarHBondContact O-CB 3.47Å; L356-D360 PolarHBondContact O-N 3.35Å
357K90.1Very high86Confident29 Ų2945.1 Ų45.113%0.12622%0.219CC..Hα-helixtrans-57.4-45.4172.7-73.9-176.9175.5178.50112.1D331 F332 T353 L355 F359 D360 A361D331-K357 WeakPolarHBondContact OD1-CE 3.41Å; D331-K357 IonicContact OD1-NZ 3.14Å; D331-K357 PolarHBondContact OD1-NZ 2.66Å; D331-K357 WeakPolarHBondContact OD2-CE 3.37Å; D331-K357 IonicContact OD2-NZ 3.36Å; D331-K357 PolarHBondContact OD2-NZ 3.11Å; F332-K357 HydrophobicContact CD2-CG 3.86Å; F332-K357 HydrophobicContact CE2-CG 4.48Å; T353-K357 HydrophobicContact CG2-CD 4.15Å; T353-K357 HydrophobicContact CG2-CG 4.36Å; T353-K357 WeakPolarHBondContact O-CG 3.45Å; T353-K357 PolarHBondContact O-N 3.27Å; L355-K357 VanDerWaalsContact C-N 3.33Å; L355-K357 PolarHBondContact O-N 3.12Å; K357-F359 VanDerWaalsContact C-N 3.33Å; K357-F359 PolarHBondContact O-N 3.09Å; K357-D360 PolarHBondContact O-N 3.35Å; K357-A361 WeakPolarHBondContact O-CB 3.26Å; K357-A361 PolarHBondContact O-N 2.86Å
358S88.2Confident84.1Confident64 Ų6448.5 Ų48.545%0.44823%0.234SC..Hα-helixtrans-61.7-39.9177.6-175.30000112.5K354 L355 L356 T362K354-S358 PolarHBondContact O-N 3.13Å; K354-S358 VanDerWaalsContact O-N 3.09Å; L355-S358 WeakPolarHBondContact O-CB 3.2Å; L355-S358 PolarHBondContact O-N 3.3Å; L355-S358 VanDerWaalsContact O-N 3.12Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 3.49Å; S358-T362 PolarHBondContact O-N 3.22Å; S358-T362 PolarHBondContact O-OG1 3.09Å
359F90.2Very high82.2Confident1 Ų149.9 Ų49.90%0.00425%0.245CC..Hα-helixtrans-69.4-45.9176.5-72-1.2000111.2F80 N81 V82 I168 L172 L355 L356 K357 T362 L363F80-F359 AromaticContact CD1-CE2 3.82Å; F80-F359 HydrophobicContact CD1-CE2 3.82Å; F80-F359 AromaticContact CD1-CZ 3.79Å; F80-F359 HydrophobicContact CD1-CZ 3.79Å; F80-F359 AromaticContact CE1-CE2 3.76Å; F80-F359 HydrophobicContact CE1-CE2 3.76Å; F80-F359 HydrophobicContact CE1-CZ 4.09Å; N81-F359 WeakPolarHBondContact OD1-CE1 3.13Å; V82-F359 HydrophobicContact CB-CD1 4.02Å; V82-F359 HydrophobicContact CB-CG 4.28Å; V82-F359 HydrophobicContact CG2-CB 4.16Å; V82-F359 HydrophobicContact CG2-CD1 3.86Å; V82-F359 HydrophobicContact CG2-CD2 4.04Å; V82-F359 HydrophobicContact CG2-CE1 4.24Å; V82-F359 HydrophobicContact CG2-CE2 4.39Å; V82-F359 HydrophobicContact CG2-CG 3.75Å; V82-F359 HydrophobicContact CG2-CZ 4.48Å; I168-F359 HydrophobicContact CG2-CD2 4.29Å; I168-F359 HydrophobicContact CG2-CE2 4.23Å; L172-F359 HydrophobicContact CD1-CB 3.98Å; L172-F359 HydrophobicContact CD1-CD2 4.22Å; L172-F359 HydrophobicContact CD2-CB 4.06Å; L355-F359 HydrophobicContact CD1-CD1 4.4Å; L355-F359 HydrophobicContact CD1-CE1 3.7Å; L355-F359 HydrophobicContact CD1-CE2 4.33Å; L355-F359 HydrophobicContact CD1-CZ 3.67Å; L355-F359 HydrophobicContact CD2-CE2 4.07Å; L355-F359 HydrophobicContact CD2-CZ 4.12Å; L355-F359 HydrophobicContact CG-CD2 4.42Å; L355-F359 HydrophobicContact CG-CE1 4.16Å; L355-F359 HydrophobicContact CG-CE2 4.01Å; L355-F359 HydrophobicContact CG-CZ 3.87Å; L355-F359 PolarHBondContact O-N 3.23Å; L356-F359 PolarHBondContact O-N 2.73Å; K357-F359 VanDerWaalsContact C-N 3.33Å; K357-F359 PolarHBondContact O-N 3.09Å; F359-T362 WeakPolarHBondContact O-CB 3.36Å; F359-T362 PolarHBondContact O-N 3.26Å; F359-L363 WeakPolarHBondContact O-CG 3.25Å; F359-L363 PolarHBondContact O-N 3.24Å
360D87.9Confident80.6Confident39 Ų3954.9 Ų54.921%0.20927%0.269CS..Hα-helixtrans-60.9-47.8-179.9-171.563.8000112.6L172 F332 L356 K357 T362 L363 H364L172-D360 HydrophobicContact CD2-CB 4.26Å; F332-D360 HydrophobicContact CE2-CB 3.64Å; F332-D360 HydrophobicContact CZ-CB 3.82Å; L356-D360 WeakPolarHBondContact O-CB 3.47Å; L356-D360 PolarHBondContact O-N 3.35Å; K357-D360 PolarHBondContact O-N 3.35Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-L363 PolarHBondContact O-N 3.21Å; D360-L363 VanDerWaalsContact O-N 3.11Å; D360-H364 PolarHBondContact O-N 3.45Å; D360-H364 PolarHBondContact O-ND1 2.97Å; D360-H364 IonicContact OD1-CE1 3.12Å; D360-H364 PolarHBondContact OD1-CE1 2.92Å; D360-H364 IonicContact OD1-ND1 3.51Å; D360-H364 PolarHBondContact OD1-ND1 3.45Å; D360-H364 IonicContact OD2-ND1 2.94Å
361A83.5Confident79.3Confident20 Ų2056.7 Ų56.717%0.16528%0.28CS..Hα-helixtrans-58.3-35.3176.100000112.2K357 K365K357-A361 WeakPolarHBondContact O-CB 3.26Å; K357-A361 PolarHBondContact O-N 2.86Å; A361-K365 PolarHBondContact O-N 2.91Å
362T83.3Confident78.8Confident29 Ų2955.9 Ų55.918%0.17828%0.278CS..Hα-helixtrans-72.7-40.3177-58.40000112.2V82 R84 S358 F359 D360V82-T362 HydrophobicContact CB-CG2 4.48Å; V82-T362 HydrophobicContact CG1-CG2 3.88Å; R84-T362 HydrophobicContact CG-CG2 3.88Å; S358-T362 PolarHBondContact O-N 3.22Å; S358-T362 PolarHBondContact O-OG1 3.09Å; F359-T362 WeakPolarHBondContact O-CB 3.36Å; F359-T362 PolarHBondContact O-N 3.26Å; D360-T362 PolarHBondContact O-N 2.94Å
363L83.8Confident78.5Confident35 Ų3555.4 Ų55.418%0.18328%0.276CS..Hα-helixtrans-70-45.5-179.7-71.5170.2000112.2V82 F169 L172 Y174 L180 F359 D360V82-L363 HydrophobicContact CG1-CD2 3.79Å; V82-L363 HydrophobicContact CG1-CG 4.01Å; F169-L363 HydrophobicContact CE1-CD1 4.28Å; L172-L363 HydrophobicContact CD1-CD1 4.04Å; Y174-L363 HydrophobicContact CD2-CD1 4.13Å; Y174-L363 HydrophobicContact CE2-CD2 4.42Å; Y174-L363 HydrophobicContact CG-CD1 4.17Å; L180-L363 HydrophobicContact CD1-CD2 4.12Å; F359-L363 WeakPolarHBondContact O-CG 3.25Å; F359-L363 PolarHBondContact O-N 3.24Å; D360-L363 PolarHBondContact O-N 3.21Å; D360-L363 VanDerWaalsContact O-N 3.11Å
364H76.7Confident78.3Confident81 Ų8156.9 Ų56.938%0.37528%0.282SS..Hα-helixtrans-92.5-1-173.1-65.9105.2000114.3D360 Y366D360-H364 PolarHBondContact O-N 3.45Å; D360-H364 PolarHBondContact O-ND1 2.97Å; D360-H364 IonicContact OD1-CE1 3.12Å; D360-H364 PolarHBondContact OD1-CE1 2.92Å; D360-H364 IonicContact OD1-ND1 3.51Å; D360-H364 PolarHBondContact OD1-ND1 3.45Å; D360-H364 IonicContact OD2-ND1 2.94Å; H364-Y366 HydrophobicContact CB-CD2 3.47Å; H364-Y366 VanDerWaalsContact CB-CD2 3.47Å; H364-Y366 HydrophobicContact CB-CE2 3.58Å; H364-Y366 PolarHBondContact O-N 3.33Å
365K68.5Low78Confident174 Ų17456.8 Ų56.876%0.75729%0.285SS*.  trans57.822.7179.5-53.8180177.8-1800114.3A361A361-K365 PolarHBondContact O-N 2.91Å
366Y62.5Low77.8Confident163 Ų16357 Ų5764%0.63929%0.287SS*.  trans-82.8130.7171.1-61.9-63.8000108.8H364H364-Y366 HydrophobicContact CB-CD2 3.47Å; H364-Y366 VanDerWaalsContact CB-CD2 3.47Å; H364-Y366 HydrophobicContact CB-CE2 3.58Å; H364-Y366 PolarHBondContact O-N 3.33Å
367D55.4Low77.3Confident123 Ų12359.4 Ų59.466%0.65830%0.296SS*.  trans-84.7109.9160.3-70.1-28.3000106.1R84 P369R84-D367 IonicContact CZ-OD1 3.1Å; R84-D367 IonicContact NH1-OD1 3.64Å; R84-D367 PolarHBondContact NH1-OD1 3.27Å; R84-D367 IonicContact NH2-OD1 3.63Å; R84-D367 PolarHBondContact NH2-OD1 2.92Å; D367-P369 WeakPolarHBondContact O-CD 3.3Å
368E54.1Low77.2Confident74 Ų7458.3 Ų58.335%0.34629%0.292SS..  trans-63.3127.3171.7-74.4-168.9152.900108.6E370 K522E368-E370 PolarHBondContact O-N 3.12Å; E368-K522 PolarHBondContact O-NZ 3.34Å
369P54.8Low76.9Confident41 Ų4155.7 Ų55.727%0.26627%0.273SS..  trans-60.1114.116523.9-29.3000107.2W259 L322 D367 V371W259-P369 HydrophobicContact CH2-CG 4.34Å; L322-P369 HydrophobicContact CD2-CB 4.36Å; L322-P369 HydrophobicContact CD2-CG 3.89Å; D367-P369 WeakPolarHBondContact O-CD 3.3Å; P369-V371 PolarHBondContact O-N 3.48Å
370E60.2Low76.4Confident135 Ų13557.2 Ų57.263%0.63129%0.29SS*.  trans-81.62.8-179.4-65153.6-142.300111.2E368 K522E368-E370 PolarHBondContact O-N 3.12Å; E370-K522 VanDerWaalsContact CB-NZ 3.3Å; E370-K522 VanDerWaalsContact OE1-CE 3.29Å; E370-K522 WeakPolarHBondContact OE1-CE 3.41Å; E370-K522 IonicContact OE1-NZ 2.85Å; E370-K522 PolarHBondContact OE1-NZ 3.37Å; E370-K522 WeakPolarHBondContact OE2-CD 3.08Å; E370-K522 WeakPolarHBondContact OE2-CE 3.28Å; E370-K522 IonicContact OE2-NZ 3.44Å; E370-K522 PolarHBondContact OE2-NZ 3.33Å
371V67.3Low76.2Confident43 Ų4357.8 Ų57.826%0.26129%0.292SS..  trans-105.8121.1-176.5-169.60000109P369 Y377P369-V371 PolarHBondContact O-N 3.48Å; V371-Y377 HydrophobicContact CG1-CD1 4.49Å; V371-Y377 HydrophobicContact CG1-CG 4.19Å
372S83.1Confident76.2Confident12 Ų1259.3 Ų59.38%0.08430%0.298CS..  trans-73.5140.2170.2-55.40000109.7E262 F374 I375E262-S372 WeakPolarHBondContact OE2-CA 3.22Å; E262-S372 WeakPolarHBondContact OE2-CB 3.4Å; S372-F374 PolarHBondContact O-N 2.68Å; S372-I375 WeakPolarHBondContact O-CB 3.34Å; S372-I375 PolarHBondContact O-N 3.22Å; S372-I375 VanDerWaalsContact O-N 3.08Å
373S89.3Confident76Confident1 Ų169.2 Ų69.21%0.00733%0.332CS..THydrogen-bonded Turntrans-68.9-24.1-170.771.90000113.6E262 S268 I317 S319 I375 S390 T391 G392E262-S373 WeakPolarHBondContact OE1-CB 3.17Å; E262-S373 PolarHBondContact OE1-N 3Å; E262-S373 PolarHBondContact OE1-OG 2.96Å; E262-S373 PolarHBondContact OE2-N 3.04Å; E262-S373 PolarHBondContact OE2-OG 3.47Å; S268-S373 VanDerWaalsContact CA-OG 3.23Å; S268-S373 WeakPolarHBondContact CA-OG 3.47Å; S268-S373 WeakPolarHBondContact CB-OG 3.49Å; S268-S373 PolarHBondContact O-OG 3.32Å; I317-S373 WeakPolarHBondContact O-CB 3.48Å; S319-S373 PolarHBondContact N-OG 2.9Å; S373-I375 PolarHBondContact O-N 3.25Å; S373-S390 VanDerWaalsContact O-CB 3.27Å; S373-S390 WeakPolarHBondContact O-CB 3.48Å; S373-T391 VanDerWaalsContact CB-OG1 3.3Å; S373-T391 WeakPolarHBondContact CB-OG1 3.21Å; S373-T391 PolarHBondContact O-N 3.25Å; S373-T391 PolarHBondContact O-OG1 3.25Å; S373-T391 VanDerWaalsContact O-OG1 3.06Å; S373-T391 PolarHBondContact OG-OG1 3.35Å; S373-T391 VanDerWaalsContact OG-OG1 3.09Å; S373-G392 PolarHBondContact O-N 2.79Å
374F88.4Confident75.9Confident32 Ų3273.3 Ų73.314%0.1435%0.354CS..THydrogen-bonded Turntrans-71.6-13175.263.2-96.2000113.7I261 E262 H265 S268 S372 G392I261-F374 HydrophobicContact CG2-CD1 4.39Å; I261-F374 HydrophobicContact CG2-CE1 3.56Å; I261-F374 HydrophobicContact CG2-CZ 3.82Å; E262-F374 WeakPolarHBondContact OE2-CD1 3.47Å; H265-F374 HydrophobicContact CB-CD1 4.16Å; H265-F374 HydrophobicContact CB-CG 4.45Å; H265-F374 AromaticContact CG-CG 3.97Å; H265-F374 WeakPolarHBondContact ND1-CB 3.06Å; H265-F374 AromaticContact ND1-CG 3.9Å; S268-F374 VanDerWaalsContact OG-CD1 3.31Å; S268-F374 WeakPolarHBondContact OG-CD1 3.35Å; S372-F374 PolarHBondContact O-N 2.68Å; F374-G392 WeakPolarHBondContact O-CA 3.32Å
375I85.9Confident76.5Confident77 Ų7774.2 Ų74.240%0.39536%0.355SS..SBendtrans-85.8121.5175.7-60177.8000108S372 S373 Y377 S390S372-I375 WeakPolarHBondContact O-CB 3.34Å; S372-I375 PolarHBondContact O-N 3.22Å; S372-I375 VanDerWaalsContact O-N 3.08Å; S373-I375 PolarHBondContact O-N 3.25Å; I375-Y377 PolarHBondContact O-N 3.43Å; I375-Y377 VanDerWaalsContact O-N 3.09Å; I375-S390 WeakPolarHBondContact O-CB 3.44Å; I375-S390 PolarHBondContact O-OG 2.95Å
376P87Confident77.6Confident22 Ų2267.3 Ų67.314%0.14333%0.326CS..  trans-58.4116.8-179.4-19.228.6000111.5S390 F393 Y398 T518P376-S390 WeakPolarHBondContact CA-OG 3.36Å; P376-F393 HydrophobicContact CB-CD1 3.77Å; P376-F393 HydrophobicContact CB-CD2 3.96Å; P376-F393 HydrophobicContact CB-CE1 3.72Å; P376-F393 HydrophobicContact CB-CE2 3.94Å; P376-F393 HydrophobicContact CB-CG 3.87Å; P376-F393 HydrophobicContact CB-CZ 3.8Å; P376-Y398 HydrophobicContact CB-CE2 4.12Å; P376-Y398 HydrophobicContact CG-CD2 4.35Å; P376-Y398 HydrophobicContact CG-CE2 3.55Å; P376-T518 HydrophobicContact CB-CG2 4Å; P376-T518 WeakPolarHBondContact O-CB 3.47Å; P376-T518 WeakPolarHBondContact O-CG2 3.49Å
377Y84Confident78.9Confident52 Ų5259.6 Ų59.620%0.20430%0.296CS..  trans-148.4139.1-177.1168.4-102.9000109.8I317 V371 I375 S379 S390 F393I317-Y377 HydrophobicContact CD1-CD1 4.14Å; I317-Y377 HydrophobicContact CD1-CE1 4.18Å; V371-Y377 HydrophobicContact CG1-CD1 4.49Å; V371-Y377 HydrophobicContact CG1-CG 4.19Å; I375-Y377 PolarHBondContact O-N 3.43Å; I375-Y377 VanDerWaalsContact O-N 3.09Å; Y377-S379 WeakPolarHBondContact OH-CA 3.48Å; Y377-S379 VanDerWaalsContact OH-CB 3.28Å; Y377-S379 WeakPolarHBondContact OH-CB 3.17Å; Y377-S390 PolarHBondContact N-OG 3.04Å; Y377-S390 WeakPolarHBondContact O-CB 3.26Å; Y377-S390 PolarHBondContact O-N 3.36Å; Y377-S390 PolarHBondContact O-OG 3.13Å; Y377-F393 VanDerWaalsContact C-CE2 3.42Å; Y377-F393 WeakPolarHBondContact O-CD2 3.5Å
378I86.7Confident80.5Confident6 Ų656.1 Ų56.13%0.03128%0.276CS..BIsolated β-bridgetrans-135.6127.6170.1-167.4169.6000109.1I387 H388 I389 F393 I415 Q419I378-I387 HydrophobicContact CD1-CG2 3.97Å; I378-I387 HydrophobicContact CG1-CG2 3.81Å; I378-H388 CarbonylContact C-O 3.54Å; I378-H388 VanDerWaalsContact CA-O 3.23Å; I378-H388 WeakPolarHBondContact CA-O 3.42Å; I378-I389 HydrophobicContact CB-CG1 4.49Å; I378-I389 HydrophobicContact CD1-CB 4.35Å; I378-I389 HydrophobicContact CD1-CD1 4.21Å; I378-I389 HydrophobicContact CD1-CG1 4.36Å; I378-I389 HydrophobicContact CG1-CB 4.23Å; I378-I389 HydrophobicContact CG1-CG1 4.41Å; I378-F393 HydrophobicContact CB-CD2 4.4Å; I378-F393 HydrophobicContact CB-CE2 4.09Å; I378-F393 HydrophobicContact CG2-CE2 4.13Å; I378-I415 HydrophobicContact CD1-CG2 3.79Å; I378-I415 HydrophobicContact CG2-CG2 4.04Å; I378-Q419 HydrophobicContact CD1-CB 4.46Å; I378-Q419 HydrophobicContact CD1-CG 3.56Å; I378-Q419 HydrophobicContact CG1-CG 3.89Å; I378-Q419 HydrophobicContact CG2-CG 4.2Å
379S82.3Confident82.3Confident9 Ų952.6 Ų52.66%0.06326%0.259CS..  trans-78.2160.6-179.778.70000111.5Y377 H388 Q419Y377-S379 WeakPolarHBondContact OH-CA 3.48Å; Y377-S379 VanDerWaalsContact OH-CB 3.28Å; Y377-S379 WeakPolarHBondContact OH-CB 3.17Å; S379-H388 PolarHBondContact N-O 3.34Å; S379-H388 PolarHBondContact OG-CD2 3.2Å; S379-H388 PolarHBondContact OG-N 3.02Å; S379-Q419 PolarHBondContact O-OE1 2.82Å
380G80.6Confident84.1Confident34 Ų3450.7 Ų50.735%0.35125%0.247SC..  trans-69.2176.7155.800000111.3D382G380-D382 PolarHBondContact O-N 2.86Å
381L83.4Confident85.7Confident50 Ų5044.3 Ų44.326%0.26222%0.217SC..  trans-65.3123174.8-16972.1000110.6K308 I312 Y385 I387 A423K308-L381 VanDerWaalsContact CE-CD2 3.4Å; I312-L381 HydrophobicContact CB-CD1 4.36Å; I312-L381 HydrophobicContact CD1-CD1 4.12Å; I312-L381 HydrophobicContact CD1-CD2 4.43Å; I312-L381 HydrophobicContact CG1-CD1 3.86Å; I312-L381 HydrophobicContact CG2-CD1 3.79Å; L381-Y385 VanDerWaalsContact CD1-C 3.5Å; L381-Y385 HydrophobicContact CD2-CD1 4.15Å; L381-I387 HydrophobicContact CD1-CG1 4.1Å; L381-A423 HydrophobicContact CB-CB 4.45Å; L381-A423 HydrophobicContact CD2-CB 4.01Å
382D82.3Confident86.8Confident53 Ų5342.4 Ų42.428%0.28321%0.206SC..  trans-82.2-174.9173.873.218000112.6G380 D384 Y385 N386 H388G380-D382 PolarHBondContact O-N 2.86Å; D382-D384 VanDerWaalsContact C-N 3.26Å; D382-D384 PolarHBondContact O-N 3.29Å; D382-D384 VanDerWaalsContact OD1-C 3.31Å; D382-D384 WeakPolarHBondContact OD1-CA 3.23Å; D382-D384 PolarHBondContact OD1-N 3.24Å; D382-Y385 PolarHBondContact O-N 3.47Å; D382-Y385 PolarHBondContact OD1-N 2.87Å; D382-Y385 VanDerWaalsContact OD1-N 3.12Å; D382-N386 PolarHBondContact N-O 2.9Å; D382-N386 PolarHBondContact OD1-N 3.46Å; D382-N386 WeakPolarHBondContact OD2-CB 3.19Å; D382-H388 IonicContact OD2-CD2 2.73Å; D382-H388 IonicContact OD2-CE1 3.62Å; D382-H388 IonicContact OD2-NE2 3.14Å; D382-H388 PolarHBondContact OD2-NE2 2.78Å
383R79Confident87.2Confident236 Ų23642 Ų4289%0.89120%0.203SC*.THydrogen-bonded Turntrans-71.4-21.7-178.8-63.7-176.3-174.3179.42.3113.4Y385R383-Y385 VanDerWaalsContact C-N 3.29Å
384D83.2Confident87.4Confident121 Ų12142 Ų4265%0.64720%0.203SC*.THydrogen-bonded Turntrans-97.115.8-178.5-59.4-37.9000111.4D382 N386D382-D384 VanDerWaalsContact C-N 3.26Å; D382-D384 PolarHBondContact O-N 3.29Å; D382-D384 VanDerWaalsContact OD1-C 3.31Å; D382-D384 WeakPolarHBondContact OD1-CA 3.23Å; D382-D384 PolarHBondContact OD1-N 3.24Å; D384-N386 VanDerWaalsContact C-N 3.28Å; D384-N386 WeakPolarHBondContact CB-ND2 3.43Å; D384-N386 PolarHBondContact O-N 3.15Å; D384-N386 PolarHBondContact O-ND2 3.06Å
385Y89.4Confident87.6Confident101 Ų10140.7 Ų40.740%0.39620%0.197SC..SBendtrans6131.3-178.7-60.3-95.9000113.7K308 N311 I312 N313 L381 D382 R383K308-Y385 HydrophobicContact CB-CE1 4.37Å; K308-Y385 HydrophobicContact CD-CE1 4.3Å; K308-Y385 HydrophobicContact CG-CD1 4.06Å; K308-Y385 HydrophobicContact CG-CE1 3.77Å; N311-Y385 HydrophobicContact CB-CG 4.47Å; N311-Y385 WeakPolarHBondContact O-CB 3.31Å; I312-Y385 CarbonylContact C-O 3.54Å; I312-Y385 VanDerWaalsContact CA-O 3.22Å; I312-Y385 WeakPolarHBondContact CA-O 3.37Å; N313-Y385 PolarHBondContact N-O 2.69Å; L381-Y385 VanDerWaalsContact CD1-C 3.5Å; L381-Y385 HydrophobicContact CD2-CD1 4.15Å; D382-Y385 PolarHBondContact O-N 3.47Å; D382-Y385 PolarHBondContact OD1-N 2.87Å; D382-Y385 VanDerWaalsContact OD1-N 3.12Å; R383-Y385 VanDerWaalsContact C-N 3.29Å
386N90.1Very high87.8Confident29 Ų2939.3 Ų39.316%0.15519%0.194CC..EExtended strand (participates in β ladder)trans-100.7139.5174-59.1-72.6000111.9N313 D382 D384N313-N386 WeakPolarHBondContact CB-OD1 3.45Å; N313-N386 WeakPolarHBondContact O-CA 3.21Å; D382-N386 PolarHBondContact N-O 2.9Å; D382-N386 PolarHBondContact OD1-N 3.46Å; D382-N386 WeakPolarHBondContact OD2-CB 3.19Å; D384-N386 VanDerWaalsContact C-N 3.28Å; D384-N386 WeakPolarHBondContact CB-ND2 3.43Å; D384-N386 PolarHBondContact O-N 3.15Å; D384-N386 PolarHBondContact O-ND2 3.06Å
387I90.7Very high87.9Confident1 Ų140.9 Ų40.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-102.3128.8159.2-65.3169.5000106F282 I312 N313 L314 S315 I378 L381 Q419 L420F282-I387 HydrophobicContact CE2-CD1 4.16Å; F282-I387 HydrophobicContact CZ-CD1 4.11Å; I312-I387 HydrophobicContact CG2-CD1 3.73Å; I312-I387 HydrophobicContact CG2-CG1 4.02Å; N313-I387 PolarHBondContact O-N 3.3Å; L314-I387 CarbonylContact C-O 3.55Å; L314-I387 WeakPolarHBondContact CA-O 3.48Å; L314-I387 HydrophobicContact CD1-CB 4.26Å; L314-I387 HydrophobicContact CD1-CG2 3.97Å; S315-I387 PolarHBondContact N-O 3.14Å; I378-I387 HydrophobicContact CD1-CG2 3.97Å; I378-I387 HydrophobicContact CG1-CG2 3.81Å; L381-I387 HydrophobicContact CD1-CG1 4.1Å; I387-Q419 HydrophobicContact CD1-CB 3.8Å; I387-Q419 HydrophobicContact CG2-CB 4.23Å; I387-Q419 HydrophobicContact CG2-CG 4.39Å; I387-L420 HydrophobicContact CD1-CD2 4.45Å
388H89.6Confident88.2Confident50 Ų5039.2 Ų39.223%0.23120%0.197CC..EExtended strand (participates in β ladder)trans-104.6124.8179.8-60.8-87.3000109.7S315 I317 I378 S379 D382S315-H388 WeakPolarHBondContact CB-ND1 3.36Å; S315-H388 CarbonylContact O-C 3.54Å; S315-H388 VanDerWaalsContact O-CA 3.28Å; S315-H388 WeakPolarHBondContact O-CA 3.44Å; I317-H388 HydrophobicContact CD1-CB 3.74Å; I317-H388 HydrophobicContact CG1-CB 3.96Å; I378-H388 CarbonylContact C-O 3.54Å; I378-H388 VanDerWaalsContact CA-O 3.23Å; I378-H388 WeakPolarHBondContact CA-O 3.42Å; S379-H388 PolarHBondContact N-O 3.34Å; S379-H388 PolarHBondContact OG-CD2 3.2Å; S379-H388 PolarHBondContact OG-N 3.02Å; D382-H388 IonicContact OD2-CD2 2.73Å; D382-H388 IonicContact OD2-CE1 3.62Å; D382-H388 IonicContact OD2-NE2 3.14Å; D382-H388 PolarHBondContact OD2-NE2 2.78Å
389I91.3Very high88.5Confident0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-114.8130173.4-169.4169000109.6L314 S315 I316 I317 I378 F393 L394 I412 M416L314-I389 HydrophobicContact CD1-CB 4.12Å; L314-I389 HydrophobicContact CD1-CG2 3.76Å; L314-I389 HydrophobicContact CD2-CG2 4.05Å; L314-I389 HydrophobicContact CG-CG2 3.99Å; S315-I389 PolarHBondContact O-N 2.67Å; I316-I389 CarbonylContact C-O 3.46Å; I316-I389 VanDerWaalsContact CA-O 3.27Å; I316-I389 WeakPolarHBondContact CA-O 3.47Å; I316-I389 HydrophobicContact CG1-CG2 3.77Å; I317-I389 PolarHBondContact N-O 3.22Å; I378-I389 HydrophobicContact CB-CG1 4.49Å; I378-I389 HydrophobicContact CD1-CB 4.35Å; I378-I389 HydrophobicContact CD1-CD1 4.21Å; I378-I389 HydrophobicContact CD1-CG1 4.36Å; I378-I389 HydrophobicContact CG1-CB 4.23Å; I378-I389 HydrophobicContact CG1-CG1 4.41Å; I389-F393 HydrophobicContact CD1-CB 3.85Å; I389-F393 HydrophobicContact CD1-CD2 4.34Å; I389-F393 HydrophobicContact CD1-CG 4.37Å; I389-F393 HydrophobicContact CG1-CB 3.91Å; I389-F393 HydrophobicContact CG1-CD2 3.98Å; I389-F393 HydrophobicContact CG1-CG 4.36Å; I389-L394 HydrophobicContact CD1-CD2 3.92Å; I389-L394 HydrophobicContact CG1-CD2 4.46Å; I389-L394 HydrophobicContact CG2-CD1 4.48Å; I389-I412 HydrophobicContact CD1-CD1 4.47Å; I389-M416 HydrophobicContact CD1-CE 3.96Å
390S92.1Very high89Confident1 Ų141.3 Ų41.31%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-73.6148.3176.770.60000111.2S373 I375 P376 Y377 G392 F393S373-S390 VanDerWaalsContact O-CB 3.27Å; S373-S390 WeakPolarHBondContact O-CB 3.48Å; I375-S390 WeakPolarHBondContact O-CB 3.44Å; I375-S390 PolarHBondContact O-OG 2.95Å; P376-S390 WeakPolarHBondContact CA-OG 3.36Å; Y377-S390 PolarHBondContact N-OG 3.04Å; Y377-S390 WeakPolarHBondContact O-CB 3.26Å; Y377-S390 PolarHBondContact O-N 3.36Å; Y377-S390 PolarHBondContact O-OG 3.13Å; S390-G392 PolarHBondContact O-N 3.45Å; S390-G392 VanDerWaalsContact O-N 3.08Å; S390-F393 PolarHBondContact O-N 3.45Å; S390-F393 VanDerWaalsContact O-N 3.09Å
391T94Very high89.3Confident0 Ų041.6 Ų41.60%021%0.21CC..G310 helixtrans-55.2-24.5170.541.40000113.5Y267 S268 I270 I316 I317 S373 F393 L394 H395Y267-T391 WeakPolarHBondContact O-CB 3.46Å; Y267-T391 PolarHBondContact O-OG1 3.08Å; S268-T391 PolarHBondContact O-OG1 3.36Å; I270-T391 HydrophobicContact CB-CG2 3.94Å; I270-T391 HydrophobicContact CG2-CG2 3.85Å; I316-T391 HydrophobicContact CG2-CG2 3.83Å; I317-T391 WeakPolarHBondContact O-CG2 3.39Å; I317-T391 PolarHBondContact O-N 3.46Å; I317-T391 PolarHBondContact O-OG1 3.24Å; S373-T391 VanDerWaalsContact CB-OG1 3.3Å; S373-T391 WeakPolarHBondContact CB-OG1 3.21Å; S373-T391 PolarHBondContact O-N 3.25Å; S373-T391 PolarHBondContact O-OG1 3.25Å; S373-T391 VanDerWaalsContact O-OG1 3.06Å; S373-T391 PolarHBondContact OG-OG1 3.35Å; S373-T391 VanDerWaalsContact OG-OG1 3.09Å; T391-F393 PolarHBondContact O-N 3.01Å; T391-L394 CarbonylContact O-C 3.55Å; T391-L394 WeakPolarHBondContact O-CA 3.21Å; T391-L394 WeakPolarHBondContact O-CB 3.24Å; T391-L394 PolarHBondContact O-N 2.88Å; T391-H395 PolarHBondContact O-CD2 3.44Å
392G91Very high89.8Confident4 Ų443.8 Ų43.84%0.04123%0.23CC..G310 helixtrans-55.2-32.4173.200000114.8S373 F374 S390 L394S373-G392 PolarHBondContact O-N 2.79Å; F374-G392 WeakPolarHBondContact O-CA 3.32Å; S390-G392 PolarHBondContact O-N 3.45Å; S390-G392 VanDerWaalsContact O-N 3.08Å; G392-L394 VanDerWaalsContact C-N 3.27Å; G392-L394 PolarHBondContact O-N 2.79Å
393F90.3Very high90.4Very high4 Ų443.6 Ų43.62%0.01823%0.225CC..G310 helixtrans-77.3-13172.1-87.4-56.9000113.2P376 Y377 I378 I389 S390 T391 Y398 I412 I415P376-F393 HydrophobicContact CB-CD1 3.77Å; P376-F393 HydrophobicContact CB-CD2 3.96Å; P376-F393 HydrophobicContact CB-CE1 3.72Å; P376-F393 HydrophobicContact CB-CE2 3.94Å; P376-F393 HydrophobicContact CB-CG 3.87Å; P376-F393 HydrophobicContact CB-CZ 3.8Å; Y377-F393 VanDerWaalsContact C-CE2 3.42Å; Y377-F393 WeakPolarHBondContact O-CD2 3.5Å; I378-F393 HydrophobicContact CB-CD2 4.4Å; I378-F393 HydrophobicContact CB-CE2 4.09Å; I378-F393 HydrophobicContact CG2-CE2 4.13Å; I389-F393 HydrophobicContact CD1-CB 3.85Å; I389-F393 HydrophobicContact CD1-CD2 4.34Å; I389-F393 HydrophobicContact CD1-CG 4.37Å; I389-F393 HydrophobicContact CG1-CB 3.91Å; I389-F393 HydrophobicContact CG1-CD2 3.98Å; I389-F393 HydrophobicContact CG1-CG 4.36Å; S390-F393 PolarHBondContact O-N 3.45Å; S390-F393 VanDerWaalsContact O-N 3.09Å; T391-F393 PolarHBondContact O-N 3.01Å; F393-Y398 AromaticContact CD1-CD1 3.61Å; F393-Y398 HydrophobicContact CD1-CD1 3.61Å; F393-Y398 HydrophobicContact CD1-CD2 4.3Å; F393-Y398 AromaticContact CD1-CE1 3.96Å; F393-Y398 HydrophobicContact CD1-CE1 3.96Å; F393-Y398 AromaticContact CD1-CG 3.81Å; F393-Y398 HydrophobicContact CD1-CG 3.81Å; F393-Y398 AromaticContact CE1-CD1 3.79Å; F393-Y398 HydrophobicContact CE1-CD1 3.79Å; F393-Y398 AromaticContact CE1-CE1 3.73Å; F393-Y398 HydrophobicContact CE1-CE1 3.73Å; F393-Y398 HydrophobicContact CE1-CG 4.41Å; F393-Y398 WeakPolarHBondContact O-CB 3.09Å; F393-I412 HydrophobicContact CB-CD1 4.08Å; F393-I412 VanDerWaalsContact O-CD1 3.27Å; F393-I412 WeakPolarHBondContact O-CD1 3.41Å; F393-I415 HydrophobicContact CD1-CD1 3.84Å; F393-I415 HydrophobicContact CE1-CD1 3.7Å; F393-I415 HydrophobicContact CZ-CD1 4.42Å
394L94.1Very high91.2Very high0 Ų034.2 Ų34.20%020%0.196CC..G310 helixtrans-102.821.3-171.5-48-176000112.2I270 V278 I316 I389 T391 G392 I412I270-L394 HydrophobicContact CD1-CB 3.63Å; I270-L394 HydrophobicContact CD1-CD1 3.42Å; I270-L394 VanDerWaalsContact CD1-CD1 3.42Å; I270-L394 HydrophobicContact CD1-CG 4.15Å; V278-L394 HydrophobicContact CB-CD2 4.42Å; V278-L394 HydrophobicContact CG1-CD1 4.09Å; V278-L394 HydrophobicContact CG1-CD2 3.7Å; V278-L394 HydrophobicContact CG2-CD1 4.34Å; V278-L394 HydrophobicContact CG2-CD2 3.77Å; V278-L394 HydrophobicContact CG2-CG 4.5Å; I316-L394 HydrophobicContact CD1-CD1 3.94Å; I316-L394 HydrophobicContact CG1-CD1 4.01Å; I316-L394 HydrophobicContact CG2-CD1 3.77Å; I389-L394 HydrophobicContact CD1-CD2 3.92Å; I389-L394 HydrophobicContact CG1-CD2 4.46Å; I389-L394 HydrophobicContact CG2-CD1 4.48Å; T391-L394 CarbonylContact O-C 3.55Å; T391-L394 WeakPolarHBondContact O-CA 3.21Å; T391-L394 WeakPolarHBondContact O-CB 3.24Å; T391-L394 PolarHBondContact O-N 2.88Å; G392-L394 VanDerWaalsContact C-N 3.27Å; G392-L394 PolarHBondContact O-N 2.79Å; L394-I412 HydrophobicContact CD2-CD1 4.38Å
395H92.4Very high91.8Very high4 Ų431.2 Ų31.22%0.01918%0.179CC..SBendtrans-133.7165.2174.6-69.5-77.2000110.9Y267 S269 R274 T391 Y398 F399Y267-H395 VanDerWaalsContact CA-CD2 3.46Å; Y267-H395 WeakPolarHBondContact CA-CD2 3.21Å; Y267-H395 WeakPolarHBondContact CA-NE2 3.02Å; Y267-H395 HydrophobicContact CD1-CB 3.71Å; Y267-H395 AromaticContact CD1-CD2 3.73Å; Y267-H395 AromaticContact CD1-CE1 3.92Å; Y267-H395 AromaticContact CD1-CG 3.39Å; Y267-H395 AromaticContact CD1-ND1 3.55Å; Y267-H395 HydrophobicContact CD2-CB 4.32Å; Y267-H395 HydrophobicContact CE1-CB 4Å; Y267-H395 HydrophobicContact CG-CB 3.92Å; Y267-H395 AromaticContact CG-CD2 3.82Å; Y267-H395 AromaticContact CG-CG 3.79Å; S269-H395 PolarHBondContact O-CE1 2.89Å; S269-H395 PolarHBondContact O-NE2 3.39Å; R274-H395 PolarHBondContact NH1-CE1 3.44Å; R274-H395 PolarHBondContact NH1-ND1 3.43Å; T391-H395 PolarHBondContact O-CD2 3.44Å; H395-Y398 PolarHBondContact O-N 2.77Å; H395-F399 CarbonylContact C-O 3.53Å; H395-F399 VanDerWaalsContact CA-O 3.3Å; H395-F399 WeakPolarHBondContact CA-O 3.25Å; H395-F399 PolarHBondContact O-N 2.89Å
396P90.6Very high92.1Very high49 Ų4926.7 Ų26.732%0.31816%0.162SC..THydrogen-bonded Turntrans-57.2145.3175.7-26.236000112.1F399 N400P396-F399 VanDerWaalsContact CD-O 3.31Å; P396-F399 WeakPolarHBondContact CD-O 3.36Å; P396-F399 VanDerWaalsContact N-O 3.07Å; P396-N400 HydrophobicContact CG-CB 4.21Å
397P89.9Confident92.5Very high54 Ų5427.6 Ų27.635%0.35117%0.166SC..THydrogen-bonded Turncis-82-6.44.633.4-36.2000114.4Y403 M509P397-Y403 VanDerWaalsContact O-CE2 3.32Å; P397-Y403 WeakPolarHBondContact O-CE2 3.47Å; P397-Y403 PolarHBondContact O-OH 2.98Å; P397-M509 HydrophobicContact CG-CE 4.41Å
398Y90.1Very high92.7Very high18 Ų1828.1 Ų28.17%0.07117%0.168CC..THydrogen-bonded Turntrans-75.1-39-170.6-55-83.3000113.7P376 F393 H395 I411 M509P376-Y398 HydrophobicContact CB-CE2 4.12Å; P376-Y398 HydrophobicContact CG-CD2 4.35Å; P376-Y398 HydrophobicContact CG-CE2 3.55Å; F393-Y398 AromaticContact CD1-CD1 3.61Å; F393-Y398 HydrophobicContact CD1-CD1 3.61Å; F393-Y398 HydrophobicContact CD1-CD2 4.3Å; F393-Y398 AromaticContact CD1-CE1 3.96Å; F393-Y398 HydrophobicContact CD1-CE1 3.96Å; F393-Y398 AromaticContact CD1-CG 3.81Å; F393-Y398 HydrophobicContact CD1-CG 3.81Å; F393-Y398 AromaticContact CE1-CD1 3.79Å; F393-Y398 HydrophobicContact CE1-CD1 3.79Å; F393-Y398 AromaticContact CE1-CE1 3.73Å; F393-Y398 HydrophobicContact CE1-CE1 3.73Å; F393-Y398 HydrophobicContact CE1-CG 4.41Å; F393-Y398 WeakPolarHBondContact O-CB 3.09Å; H395-Y398 PolarHBondContact O-N 2.77Å; Y398-I411 HydrophobicContact CD1-CG2 4.42Å; Y398-I411 WeakPolarHBondContact O-CG2 3.49Å; Y398-M509 HydrophobicContact CD1-CE 3.24Å; Y398-M509 HydrophobicContact CE1-CE 3.27Å; Y398-M509 HydrophobicContact CG-CE 4.15Å
399F92.8Very high93.1Very high0 Ų026 Ų260%016%0.158CC..  trans-147.1131.5-177.4-168.1-97.1000111.5R274 E277 V278 I281 H395 P396 K408 I412R274-F399 HydrophobicContact CB-CE1 4.3Å; R274-F399 HydrophobicContact CG-CE1 4.2Å; E277-F399 HydrophobicContact CB-CZ 4.42Å; E277-F399 HydrophobicContact CG-CZ 3.97Å; E277-F399 WeakPolarHBondContact OE2-CZ 3.27Å; V278-F399 HydrophobicContact CG2-CD1 4.4Å; V278-F399 HydrophobicContact CG2-CE1 3.98Å; V278-F399 HydrophobicContact CG2-CE2 4.16Å; V278-F399 HydrophobicContact CG2-CZ 3.84Å; I281-F399 HydrophobicContact CD1-CE2 3.97Å; H395-F399 CarbonylContact C-O 3.53Å; H395-F399 VanDerWaalsContact CA-O 3.3Å; H395-F399 WeakPolarHBondContact CA-O 3.25Å; H395-F399 PolarHBondContact O-N 2.89Å; P396-F399 VanDerWaalsContact CD-O 3.31Å; P396-F399 WeakPolarHBondContact CD-O 3.36Å; P396-F399 VanDerWaalsContact N-O 3.07Å; F399-K408 HydrophobicContact CD2-CG 4.23Å; F399-K408 HydrophobicContact CE2-CB 4.47Å; F399-K408 HydrophobicContact CE2-CD 3.98Å; F399-K408 HydrophobicContact CE2-CG 3.84Å; F399-K408 HydrophobicContact CZ-CD 4.38Å; F399-I412 HydrophobicContact CB-CG1 4.1Å; F399-I412 HydrophobicContact CD2-CB 4.39Å; F399-I412 HydrophobicContact CD2-CG1 3.86Å; F399-I412 HydrophobicContact CG-CG1 4.41Å
400N91.6Very high93.3Very high58 Ų5826 Ų2631%0.3116%0.158SC..  trans-139.7143.7171-165-36.6000108.7P396 S402 Y403 K408P396-N400 HydrophobicContact CG-CB 4.21Å; N400-S402 PolarHBondContact O-N 3.09Å; N400-S402 PolarHBondContact OD1-N 2.96Å; N400-S402 VanDerWaalsContact OD1-N 3.12Å; N400-S402 PolarHBondContact OD1-OG 3.4Å; N400-Y403 HydrophobicContact CB-CD1 3.64Å; N400-Y403 HydrophobicContact CB-CD2 4.03Å; N400-Y403 HydrophobicContact CB-CE1 3.61Å; N400-Y403 HydrophobicContact CB-CE2 4.02Å; N400-Y403 HydrophobicContact CB-CG 3.84Å; N400-Y403 WeakPolarHBondContact O-CB 3.49Å; N400-Y403 PolarHBondContact O-N 3.09Å; N400-K408 WeakPolarHBondContact O-CE 3.12Å
401G87.9Confident93.5Very high40 Ų4026.1 Ų26.141%0.41216%0.158SC..THydrogen-bonded Turntrans-57.2-32.3174.500000112.4Y403 K408G401-Y403 VanDerWaalsContact C-N 3.3Å; G401-Y403 PolarHBondContact O-N 2.69Å; G401-K408 PolarHBondContact O-NZ 3.11Å
402S93.2Very high93.5Very high96 Ų9626.1 Ų26.167%0.67116%0.158SC*.THydrogen-bonded Turntrans-75.1-12.5178.6680000114.8N400N400-S402 PolarHBondContact O-N 3.09Å; N400-S402 PolarHBondContact OD1-N 2.96Å; N400-S402 VanDerWaalsContact OD1-N 3.12Å; N400-S402 PolarHBondContact OD1-OG 3.4Å
403Y95.3Very high93.7Very high49 Ų4925.9 Ų25.919%0.19216%0.156CC..SBendtrans-66.8142179-70.8-7.3000111.3P397 N400 G401 E407 K408 I411P397-Y403 VanDerWaalsContact O-CE2 3.32Å; P397-Y403 WeakPolarHBondContact O-CE2 3.47Å; P397-Y403 PolarHBondContact O-OH 2.98Å; N400-Y403 HydrophobicContact CB-CD1 3.64Å; N400-Y403 HydrophobicContact CB-CD2 4.03Å; N400-Y403 HydrophobicContact CB-CE1 3.61Å; N400-Y403 HydrophobicContact CB-CE2 4.02Å; N400-Y403 HydrophobicContact CB-CG 3.84Å; N400-Y403 WeakPolarHBondContact O-CB 3.49Å; N400-Y403 PolarHBondContact O-N 3.09Å; G401-Y403 VanDerWaalsContact C-N 3.3Å; G401-Y403 PolarHBondContact O-N 2.69Å; Y403-E407 HydrophobicContact CD2-CB 4.36Å; Y403-E407 HydrophobicContact CG-CB 4.22Å; Y403-K408 WeakPolarHBondContact O-CE 3.36Å; Y403-K408 PolarHBondContact O-NZ 2.96Å; Y403-I411 HydrophobicContact CE2-CD1 4.24Å
404S95.7Very high93.9Very high40 Ų4026 Ų2628%0.2816%0.156SC..  trans-62.6163.5170.866.20000111.2S406 E407 K408 L501S404-S406 PolarHBondContact O-N 3.34Å; S404-E407 VanDerWaalsContact CB-OE2 3.32Å; S404-E407 WeakPolarHBondContact CB-OE2 3.49Å; S404-E407 PolarHBondContact N-OE2 3.12Å; S404-E407 PolarHBondContact O-N 3.28Å; S404-E407 WeakPolarHBondContact OG-CG 3.44Å; S404-E407 PolarHBondContact OG-N 2.95Å; S404-E407 PolarHBondContact OG-OE2 3.15Å; S404-K408 WeakPolarHBondContact O-CG 3.43Å; S404-K408 PolarHBondContact O-N 3.34Å; S404-L501 WeakPolarHBondContact OG-CD2 3.4Å
405M95.5Very high93.9Very high58 Ų5826.2 Ų26.229%0.28616%0.158SC..Hα-helixtrans-58.7-38.3172-71.5-72.2-74.700111.3E407 K408 Y409 Y486 L489M405-E407 VanDerWaalsContact C-N 3.33Å; M405-E407 PolarHBondContact O-N 3.23Å; M405-K408 PolarHBondContact O-N 3.35Å; M405-Y409 HydrophobicContact CE-CD2 4.04Å; M405-Y409 HydrophobicContact CE-CE2 3.36Å; M405-Y409 WeakPolarHBondContact O-CB 3.34Å; M405-Y409 WeakPolarHBondContact O-CD2 3.37Å; M405-Y409 PolarHBondContact O-N 3.49Å; M405-Y409 HydrophobicContact SD-CE2 4.1Å; M405-Y486 HydrophobicContact CB-CD2 3.95Å; M405-Y486 HydrophobicContact CB-CE2 3.56Å; M405-L489 HydrophobicContact CE-CB 4.31Å; M405-L489 HydrophobicContact CE-CD1 3.78Å
406S96.8Very high94Very high6 Ų626 Ų264%0.04216%0.157CC..Hα-helixtrans-58-45.8177.8-390000111.6S404 G410 Y486S404-S406 PolarHBondContact O-N 3.34Å; S406-G410 PolarHBondContact O-N 2.86Å; S406-Y486 VanDerWaalsContact OG-CZ 3.25Å; S406-Y486 PolarHBondContact OG-OH 3.26Å
407E96.9Very high94.2Very high48 Ų4823.7 Ų23.722%0.22414%0.142CC..Hα-helixtrans-67.9-48177.5-71.3163.1114.300111.7Y403 S404 M405 Y409 G410 I411 L501 T505Y403-E407 HydrophobicContact CD2-CB 4.36Å; Y403-E407 HydrophobicContact CG-CB 4.22Å; S404-E407 VanDerWaalsContact CB-OE2 3.32Å; S404-E407 WeakPolarHBondContact CB-OE2 3.49Å; S404-E407 PolarHBondContact N-OE2 3.12Å; S404-E407 PolarHBondContact O-N 3.28Å; S404-E407 WeakPolarHBondContact OG-CG 3.44Å; S404-E407 PolarHBondContact OG-N 2.95Å; S404-E407 PolarHBondContact OG-OE2 3.15Å; M405-E407 VanDerWaalsContact C-N 3.33Å; M405-E407 PolarHBondContact O-N 3.23Å; E407-Y409 VanDerWaalsContact C-N 3.34Å; E407-Y409 PolarHBondContact O-N 3.46Å; E407-G410 PolarHBondContact O-N 3Å; E407-G410 VanDerWaalsContact O-N 3.15Å; E407-I411 WeakPolarHBondContact O-CG1 3.32Å; E407-I411 PolarHBondContact O-N 3.32Å; E407-L501 HydrophobicContact CG-CD1 4.16Å; E407-L501 HydrophobicContact CG-CD2 4.1Å; E407-L501 HydrophobicContact CG-CG 4.02Å; E407-T505 HydrophobicContact CB-CG2 4.18Å; E407-T505 HydrophobicContact CG-CG2 4.14Å
408K96.8Very high94.3Very high12 Ų1222.1 Ų22.15%0.05213%0.129CC..Hα-helixtrans-58.8-44.3-179.4-74171.3177157.40112E277 I281 F399 N400 G401 Y403 S404 M405 I412 G413E277-K408 VanDerWaalsContact OE1-CE 3.23Å; E277-K408 WeakPolarHBondContact OE1-CE 3.31Å; E277-K408 IonicContact OE1-NZ 2.64Å; E277-K408 PolarHBondContact OE1-NZ 3.31Å; E277-K408 IonicContact OE2-NZ 3.75Å; I281-K408 HydrophobicContact CD1-CB 4.2Å; F399-K408 HydrophobicContact CD2-CG 4.23Å; F399-K408 HydrophobicContact CE2-CB 4.47Å; F399-K408 HydrophobicContact CE2-CD 3.98Å; F399-K408 HydrophobicContact CE2-CG 3.84Å; F399-K408 HydrophobicContact CZ-CD 4.38Å; N400-K408 WeakPolarHBondContact O-CE 3.12Å; G401-K408 PolarHBondContact O-NZ 3.11Å; Y403-K408 WeakPolarHBondContact O-CE 3.36Å; Y403-K408 PolarHBondContact O-NZ 2.96Å; S404-K408 WeakPolarHBondContact O-CG 3.43Å; S404-K408 PolarHBondContact O-N 3.34Å; M405-K408 PolarHBondContact O-N 3.35Å; K408-I412 PolarHBondContact O-N 3.11Å; K408-G413 PolarHBondContact O-N 3.03Å
409Y97.5Very high94.4Very high4 Ų422 Ų222%0.01613%0.129CC..Iπ-helixtrans-75-33176.2-80.6-93.5000112.3I281 L285 M405 E407 I411 G413 W414 S482 T485 Y486 L489 F502I281-Y409 HydrophobicContact CG1-CE2 4.14Å; I281-Y409 HydrophobicContact CG2-CE1 4.1Å; L285-Y409 HydrophobicContact CD2-CE1 4.43Å; M405-Y409 HydrophobicContact CE-CD2 4.04Å; M405-Y409 HydrophobicContact CE-CE2 3.36Å; M405-Y409 WeakPolarHBondContact O-CB 3.34Å; M405-Y409 WeakPolarHBondContact O-CD2 3.37Å; M405-Y409 PolarHBondContact O-N 3.49Å; M405-Y409 HydrophobicContact SD-CE2 4.1Å; E407-Y409 VanDerWaalsContact C-N 3.34Å; E407-Y409 PolarHBondContact O-N 3.46Å; Y409-I411 PolarHBondContact O-N 3.31Å; Y409-G413 WeakPolarHBondContact O-CA 2.98Å; Y409-W414 PolarHBondContact O-N 3.41Å; Y409-W414 VanDerWaalsContact O-N 3.11Å; Y409-S482 PolarHBondContact O-OG 3.45Å; Y409-T485 HydrophobicContact CD1-CG2 4.38Å; Y409-T485 HydrophobicContact CE1-CG2 3.51Å; Y409-Y486 HydrophobicContact CD2-CD2 4.39Å; Y409-Y486 HydrophobicContact CG-CG 4.46Å; Y409-L489 HydrophobicContact CE1-CD1 4.31Å; Y409-L489 HydrophobicContact CE2-CD1 4.01Å; Y409-L489 WeakPolarHBondContact OH-CD1 3.47Å; Y409-F502 VanDerWaalsContact C-CE2 3.4Å; Y409-F502 WeakPolarHBondContact O-CE2 3.16Å
410G96Very high94.3Very high0 Ų022 Ų220%013%0.129CC..Iπ-helixtrans-65.3-25.3174.700000113.6S406 E407 F506S406-G410 PolarHBondContact O-N 2.86Å; E407-G410 PolarHBondContact O-N 3Å; E407-G410 VanDerWaalsContact O-N 3.15Å; G410-F506 WeakPolarHBondContact O-CA 3.35Å; G410-F506 WeakPolarHBondContact O-CB 3.34Å
411I94.4Very high94.3Very high4 Ų419.8 Ų19.82%0.02112%0.117CC..Iπ-helixtrans-106.2-78.1178.1-50.9177.5000111.7Y398 Y403 E407 Y409 W414 I415 T505 M509Y398-I411 HydrophobicContact CD1-CG2 4.42Å; Y398-I411 WeakPolarHBondContact O-CG2 3.49Å; Y403-I411 HydrophobicContact CE2-CD1 4.24Å; E407-I411 WeakPolarHBondContact O-CG1 3.32Å; E407-I411 PolarHBondContact O-N 3.32Å; Y409-I411 PolarHBondContact O-N 3.31Å; I411-W414 PolarHBondContact O-N 3.29Å; I411-I415 HydrophobicContact CG2-CD1 4.05Å; I411-I415 WeakPolarHBondContact O-CG1 3.47Å; I411-I415 PolarHBondContact O-N 3.44Å; I411-T505 HydrophobicContact CD1-CG2 3.52Å; I411-T505 HydrophobicContact CG1-CG2 3.44Å; I411-T505 VanDerWaalsContact CG1-CG2 3.44Å; I411-M509 HydrophobicContact CB-CG 4.38Å; I411-M509 HydrophobicContact CD1-CG 3.74Å; I411-M509 HydrophobicContact CD1-SD 4.05Å; I411-M509 HydrophobicContact CG1-CG 3.64Å; I411-M509 HydrophobicContact CG2-CE 4.46Å; I411-M509 HydrophobicContact CG2-CG 4Å
412I94.3Very high94.2Very high0 Ų019.2 Ų19.20%011%0.107CC..Iπ-helixtrans-71.5-37.2-170.9-71.1-66.9000111I389 F393 L394 F399 K408 W414 I415 M416I389-I412 HydrophobicContact CD1-CD1 4.47Å; F393-I412 HydrophobicContact CB-CD1 4.08Å; F393-I412 VanDerWaalsContact O-CD1 3.27Å; F393-I412 WeakPolarHBondContact O-CD1 3.41Å; L394-I412 HydrophobicContact CD2-CD1 4.38Å; F399-I412 HydrophobicContact CB-CG1 4.1Å; F399-I412 HydrophobicContact CD2-CB 4.39Å; F399-I412 HydrophobicContact CD2-CG1 3.86Å; F399-I412 HydrophobicContact CG-CG1 4.41Å; K408-I412 PolarHBondContact O-N 3.11Å; I412-W414 VanDerWaalsContact C-N 3.29Å; I412-W414 PolarHBondContact O-N 2.99Å; I412-I415 HydrophobicContact CD1-CD1 4.2Å; I412-I415 PolarHBondContact O-N 3.2Å; I412-M416 HydrophobicContact CG2-CE 3.39Å; I412-M416 HydrophobicContact CG2-CG 4.31Å; I412-M416 HydrophobicContact CG2-SD 3.75Å; I412-M416 WeakPolarHBondContact O-CB 3.33Å; I412-M416 WeakPolarHBondContact O-CG 3.41Å; I412-M416 PolarHBondContact O-N 2.94Å
413G96.4Very high93.7Very high0 Ų014.9 Ų14.90%08%0.076CC..Iπ-helixtrans-58.7-42173.800000112.2K408 Y409 G417 S482K408-G413 PolarHBondContact O-N 3.03Å; Y409-G413 WeakPolarHBondContact O-CA 2.98Å; G413-G417 WeakPolarHBondContact O-CA 3.45Å; G413-G417 PolarHBondContact O-N 3.45Å; G413-S482 VanDerWaalsContact C-OG 3.23Å; G413-S482 WeakPolarHBondContact CA-OG 3.47Å
414W94.6Very high93.1Very high5 Ų512.5 Ų12.52%0.0197%0.067CC..Hα-helixtrans-65.6-47.6174.5165.358.5000112.6Y409 I411 I412 M416 G417 R418 L479 S482 F506 F515Y409-W414 PolarHBondContact O-N 3.41Å; Y409-W414 VanDerWaalsContact O-N 3.11Å; I411-W414 PolarHBondContact O-N 3.29Å; I412-W414 VanDerWaalsContact C-N 3.29Å; I412-W414 PolarHBondContact O-N 2.99Å; W414-M416 VanDerWaalsContact C-N 3.34Å; W414-M416 PolarHBondContact O-N 3.19Å; W414-G417 PolarHBondContact O-N 2.93Å; W414-R418 PolarHBondContact O-N 3.32Å; W414-L479 HydrophobicContact CB-CD1 4.19Å; W414-L479 HydrophobicContact CG-CD1 4.16Å; W414-S482 PolarHBondContact N-OG 2.95Å; W414-F506 AromaticContact CD2-CD2 3.69Å; W414-F506 HydrophobicContact CD2-CD2 3.69Å; W414-F506 AromaticContact CD2-CE2 3.53Å; W414-F506 HydrophobicContact CD2-CE2 3.53Å; W414-F506 AromaticContact CE2-CE2 3.47Å; W414-F506 VanDerWaalsContact CE2-CE2 3.47Å; W414-F506 AromaticContact CE3-CD2 3.79Å; W414-F506 HydrophobicContact CE3-CD2 3.79Å; W414-F506 AromaticContact CE3-CE2 3.86Å; W414-F506 HydrophobicContact CE3-CE2 3.86Å; W414-F506 AromaticContact CG-CD2 4Å; W414-F506 HydrophobicContact CG-CD2 4Å; W414-F506 HydrophobicContact CG-CE2 4.02Å; W414-F506 HydrophobicContact CH2-CE2 4.06Å; W414-F506 AromaticContact CZ2-CE2 3.76Å; W414-F506 HydrophobicContact CZ2-CE2 3.76Å; W414-F506 HydrophobicContact CZ3-CD2 4.3Å; W414-F506 HydrophobicContact CZ3-CE2 4.11Å; W414-F506 AromaticContact NE1-CE2 3.85Å; W414-F515 AromaticContact CH2-CD2 3.78Å; W414-F515 HydrophobicContact CH2-CD2 3.78Å; W414-F515 AromaticContact CH2-CE2 3.81Å; W414-F515 HydrophobicContact CH2-CE2 3.81Å; W414-F515 HydrophobicContact CH2-CG 4.43Å; W414-F515 HydrophobicContact CH2-CZ 4.48Å; W414-F515 HydrophobicContact CZ2-CE2 4.27Å; W414-F515 HydrophobicContact CZ3-CD2 4.28Å; W414-F515 HydrophobicContact CZ3-CE2 4.39Å
415I92.4Very high92.2Very high5 Ų510.7 Ų10.73%0.0265%0.054CC..Hα-helixtrans-57.7-47.2-179.9-70.4164.9000110.9I378 F393 I411 I412 Q419I378-I415 HydrophobicContact CD1-CG2 3.79Å; I378-I415 HydrophobicContact CG2-CG2 4.04Å; F393-I415 HydrophobicContact CD1-CD1 3.84Å; F393-I415 HydrophobicContact CE1-CD1 3.7Å; F393-I415 HydrophobicContact CZ-CD1 4.42Å; I411-I415 HydrophobicContact CG2-CD1 4.05Å; I411-I415 WeakPolarHBondContact O-CG1 3.47Å; I411-I415 PolarHBondContact O-N 3.44Å; I412-I415 HydrophobicContact CD1-CD1 4.2Å; I412-I415 PolarHBondContact O-N 3.2Å; I415-Q419 PolarHBondContact O-N 3.29Å
416M94.6Very high91Very high0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-69.3-41.3177.2-70.2173.7179.700112V278 I281 F282 L285 L314 I389 I412 W414 R418 Q419 L420V278-M416 HydrophobicContact CG1-CE 3.44Å; V278-M416 VanDerWaalsContact CG1-CE 3.44Å; I281-M416 HydrophobicContact CG2-SD 4.25Å; F282-M416 HydrophobicContact CB-SD 3.92Å; F282-M416 HydrophobicContact CD2-CB 4.06Å; F282-M416 HydrophobicContact CD2-CG 4.12Å; F282-M416 HydrophobicContact CD2-SD 3.94Å; F282-M416 HydrophobicContact CG-SD 4.44Å; L285-M416 HydrophobicContact CD1-CB 3.59Å; L285-M416 HydrophobicContact CD1-SD 4.36Å; L314-M416 HydrophobicContact CD2-CE 3.49Å; L314-M416 VanDerWaalsContact CD2-CE 3.49Å; L314-M416 HydrophobicContact CD2-SD 4.27Å; I389-M416 HydrophobicContact CD1-CE 3.96Å; I412-M416 HydrophobicContact CG2-CE 3.39Å; I412-M416 HydrophobicContact CG2-CG 4.31Å; I412-M416 HydrophobicContact CG2-SD 3.75Å; I412-M416 WeakPolarHBondContact O-CB 3.33Å; I412-M416 WeakPolarHBondContact O-CG 3.41Å; I412-M416 PolarHBondContact O-N 2.94Å; W414-M416 VanDerWaalsContact C-N 3.34Å; W414-M416 PolarHBondContact O-N 3.19Å; M416-R418 VanDerWaalsContact C-N 3.3Å; M416-R418 PolarHBondContact O-N 2.98Å; M416-Q419 PolarHBondContact O-N 3.04Å; M416-L420 PolarHBondContact O-N 2.73Å
417G95.3Very high89.3Confident0 Ų011.8 Ų11.80%06%0.064CC..Hα-helixtrans-57.7-42.5176.800000112.1G413 W414 Q419 L420 M421 G478G413-G417 WeakPolarHBondContact O-CA 3.45Å; G413-G417 PolarHBondContact O-N 3.45Å; W414-G417 PolarHBondContact O-N 2.93Å; G417-Q419 VanDerWaalsContact C-N 3.32Å; G417-Q419 PolarHBondContact O-N 2.94Å; G417-L420 PolarHBondContact O-N 3.33Å; G417-M421 WeakPolarHBondContact O-CG 3.41Å; G417-M421 PolarHBondContact O-N 2.98Å; G417-G478 VanDerWaalsContact C-CA 3.44Å
418R92.5Very high87.4Confident21 Ų2110.1 Ų10.18%0.0796%0.056CC..Hα-helixtrans-56.5-44.2173.4179-159.8164.6106.73.2111.7W414 M416 M421 S422 S471 N474 D475 F515W414-R418 PolarHBondContact O-N 3.32Å; M416-R418 VanDerWaalsContact C-N 3.3Å; M416-R418 PolarHBondContact O-N 2.98Å; R418-M421 PolarHBondContact O-N 3.38Å; R418-S422 PolarHBondContact O-N 3.37Å; R418-S471 PolarHBondContact NH1-OG 3.07Å; R418-S471 PolarHBondContact NH2-OG 3.27Å; R418-N474 WeakPolarHBondContact CA-O 3.34Å; R418-N474 HydrophobicContact CG-CB 3.96Å; R418-D475 VanDerWaalsContact CD-OD1 3.22Å; R418-D475 WeakPolarHBondContact CD-OD1 3.27Å; R418-D475 IonicContact CZ-OD1 2.63Å; R418-D475 IonicContact CZ-OD2 2.91Å; R418-D475 IonicContact NE-OD1 2.69Å; R418-D475 IonicContact NH1-OD1 3.79Å; R418-D475 PolarHBondContact NH1-OD1 3.44Å; R418-D475 IonicContact NH1-OD2 3.74Å; R418-D475 PolarHBondContact NH1-OD2 3.4Å; R418-F515 VanDerWaalsContact CZ-CZ 3.49Å
419Q91Very high85.4Confident15 Ų1510.9 Ų10.97%0.076%0.06CC..Hα-helixtrans-71.1-38.1-179.2-60.9-53.4-30.400112.7I378 S379 I387 I415 M416 G417 M421 S422 A423I378-Q419 HydrophobicContact CD1-CB 4.46Å; I378-Q419 HydrophobicContact CD1-CG 3.56Å; I378-Q419 HydrophobicContact CG1-CG 3.89Å; I378-Q419 HydrophobicContact CG2-CG 4.2Å; S379-Q419 PolarHBondContact O-OE1 2.82Å; I387-Q419 HydrophobicContact CD1-CB 3.8Å; I387-Q419 HydrophobicContact CG2-CB 4.23Å; I387-Q419 HydrophobicContact CG2-CG 4.39Å; I415-Q419 PolarHBondContact O-N 3.29Å; M416-Q419 PolarHBondContact O-N 3.04Å; G417-Q419 VanDerWaalsContact C-N 3.32Å; G417-Q419 PolarHBondContact O-N 2.94Å; Q419-M421 VanDerWaalsContact C-N 3.33Å; Q419-M421 PolarHBondContact O-N 3Å; Q419-S422 WeakPolarHBondContact O-CB 3.33Å; Q419-S422 PolarHBondContact O-N 2.95Å; Q419-A423 PolarHBondContact O-N 2.87Å
420L92.7Very high83.2Confident0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-59.9-44.4171.4-73.2171.9000111.1F282 L285 K286 L289 I312 I387 M416 G417 S422 A423 V424 L481F282-L420 HydrophobicContact CE2-CD1 4.22Å; F282-L420 HydrophobicContact CE2-CD2 3.94Å; F282-L420 HydrophobicContact CE2-CG 3.99Å; F282-L420 HydrophobicContact CZ-CD2 3.78Å; F282-L420 HydrophobicContact CZ-CG 4.35Å; L285-L420 HydrophobicContact CB-CD1 3.72Å; K286-L420 HydrophobicContact CG-CD1 4.2Å; K286-L420 HydrophobicContact CG-CD2 3.91Å; L289-L420 HydrophobicContact CD2-CB 3.99Å; I312-L420 HydrophobicContact CD1-CD2 4.22Å; I312-L420 HydrophobicContact CG2-CD2 4.36Å; I387-L420 HydrophobicContact CD1-CD2 4.45Å; M416-L420 PolarHBondContact O-N 2.73Å; G417-L420 PolarHBondContact O-N 3.33Å; L420-S422 VanDerWaalsContact C-N 3.31Å; L420-S422 PolarHBondContact O-N 2.94Å; L420-A423 WeakPolarHBondContact O-CB 3.46Å; L420-A423 PolarHBondContact O-N 3.49Å; L420-V424 PolarHBondContact O-N 3.06Å; L420-V424 VanDerWaalsContact O-N 3.17Å; L420-L481 HydrophobicContact CB-CD2 4.37Å; L420-L481 HydrophobicContact CD1-CD2 4.22Å
421M90.8Very high80.7Confident12 Ų1226 Ų266%0.05913%0.133CC..Hα-helixtrans-65.6-34.1175.4-67.9-49.5-51.400112.7L289 G417 R418 Q419 A423 V424 S425 N474 N477 L564L289-M421 HydrophobicContact CD1-SD 3.81Å; G417-M421 WeakPolarHBondContact O-CG 3.41Å; G417-M421 PolarHBondContact O-N 2.98Å; R418-M421 PolarHBondContact O-N 3.38Å; Q419-M421 VanDerWaalsContact C-N 3.33Å; Q419-M421 PolarHBondContact O-N 3Å; M421-A423 VanDerWaalsContact C-N 3.32Å; M421-A423 PolarHBondContact O-N 3.31Å; M421-V424 HydrophobicContact CE-CB 4.37Å; M421-V424 HydrophobicContact CE-CG1 4.42Å; M421-V424 PolarHBondContact O-N 3.24Å; M421-S425 WeakPolarHBondContact O-CB 3.34Å; M421-S425 PolarHBondContact O-N 2.89Å; M421-N474 HydrophobicContact CB-CB 4.42Å; M421-N474 PolarHBondContact O-OD1 3.27Å; M421-N477 HydrophobicContact CB-CB 4.38Å; M421-N477 HydrophobicContact CE-CB 3.73Å; M421-N477 HydrophobicContact CG-CB 3.71Å; M421-N477 HydrophobicContact SD-CB 4.09Å; M421-L564 HydrophobicContact CE-CD2 3.72Å
422S86Confident78.7Confident29 Ų2931.9 Ų31.920%0.20316%0.155CC..Hα-helixtrans-60.2-42.6172.2-169.40000111.8R418 Q419 L420 V424 S425 S426 N474R418-S422 PolarHBondContact O-N 3.37Å; Q419-S422 WeakPolarHBondContact O-CB 3.33Å; Q419-S422 PolarHBondContact O-N 2.95Å; L420-S422 VanDerWaalsContact C-N 3.31Å; L420-S422 PolarHBondContact O-N 2.94Å; S422-V424 VanDerWaalsContact C-N 3.3Å; S422-V424 PolarHBondContact O-N 2.89Å; S422-S425 WeakPolarHBondContact CA-OG 3.46Å; S422-S425 PolarHBondContact O-N 3.12Å; S422-S425 PolarHBondContact O-OG 3.26Å; S422-S426 PolarHBondContact O-N 2.95Å; S422-N474 WeakPolarHBondContact CA-ND2 3.37Å; S422-N474 WeakPolarHBondContact CB-ND2 3.25Å; S422-N474 PolarHBondContact OG-ND2 3.23Å
423A82.5Confident76.5Confident4 Ų436.6 Ų36.63%0.03319%0.186CC..Hα-helixtrans-64.8-32.1176.500000113.3K308 I312 L381 Q419 L420 M421 S426K308-A423 PolarHBondContact NZ-O 3.17Å; I312-A423 HydrophobicContact CD1-CB 3.61Å; L381-A423 HydrophobicContact CB-CB 4.45Å; L381-A423 HydrophobicContact CD2-CB 4.01Å; Q419-A423 PolarHBondContact O-N 2.87Å; L420-A423 WeakPolarHBondContact O-CB 3.46Å; L420-A423 PolarHBondContact O-N 3.49Å; M421-A423 VanDerWaalsContact C-N 3.32Å; M421-A423 PolarHBondContact O-N 3.31Å; A423-S426 PolarHBondContact O-OG 3.3Å
424V83.5Confident74.4Confident0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-69.8-47.3171.8174.70000110.2L289 I305 I309 L420 M421 S422 S426 F428 L564L289-V424 HydrophobicContact CD2-CG2 4.1Å; I305-V424 HydrophobicContact CG2-CG1 4.45Å; I305-V424 HydrophobicContact CG2-CG2 4.26Å; I309-V424 HydrophobicContact CD1-CG2 3.87Å; I309-V424 HydrophobicContact CG1-CG2 4.32Å; L420-V424 PolarHBondContact O-N 3.06Å; L420-V424 VanDerWaalsContact O-N 3.17Å; M421-V424 HydrophobicContact CE-CB 4.37Å; M421-V424 HydrophobicContact CE-CG1 4.42Å; M421-V424 PolarHBondContact O-N 3.24Å; S422-V424 VanDerWaalsContact C-N 3.3Å; S422-V424 PolarHBondContact O-N 2.89Å; V424-S426 VanDerWaalsContact C-N 3.31Å; V424-S426 PolarHBondContact O-N 2.93Å; V424-F428 HydrophobicContact CG1-CE2 3.92Å; V424-F428 WeakPolarHBondContact O-CD2 3.5Å; V424-F428 WeakPolarHBondContact O-CE2 3.21Å; V424-L564 HydrophobicContact CG1-CD2 4.45Å
425S76.2Confident72.5Confident1 Ų148.3 Ų48.31%0.00724%0.241CC..Hα-helixtrans-63.8-31.2-17876.30000114.1M421 S422 D427 F428M421-S425 WeakPolarHBondContact O-CB 3.34Å; M421-S425 PolarHBondContact O-N 2.89Å; S422-S425 WeakPolarHBondContact CA-OG 3.46Å; S422-S425 PolarHBondContact O-N 3.12Å; S422-S425 PolarHBondContact O-OG 3.26Å; S425-D427 VanDerWaalsContact C-N 3.33Å; S425-D427 PolarHBondContact O-N 3.39Å; S425-F428 PolarHBondContact O-N 3.24Å
426S70.1Confident70.7Confident42 Ų4253.5 Ų53.529%0.29428%0.277SS..Hα-helixtrans-65.9-33-174.469.40000113.3K308 S422 A423 V424 F428 Q429K308-S426 PolarHBondContact NZ-OG 2.94Å; K308-S426 VanDerWaalsContact NZ-OG 3.08Å; S422-S426 PolarHBondContact O-N 2.95Å; A423-S426 PolarHBondContact O-OG 3.3Å; V424-S426 VanDerWaalsContact C-N 3.31Å; V424-S426 PolarHBondContact O-N 2.93Å; S426-F428 PolarHBondContact O-N 3.28Å; S426-Q429 PolarHBondContact O-N 3.15Å
427D61.6Low69.2Low45 Ų4558.7 Ų58.724%0.24130%0.302CS..THydrogen-bonded Turntrans-72.9-18.2-177.2-72.5-17.7000112.7I305 K308 S425 Q429I305-D427 HydrophobicContact CG1-CB 4.45Å; K308-D427 WeakPolarHBondContact CD-OD2 3.47Å; K308-D427 IonicContact NZ-OD1 2.7Å; K308-D427 PolarHBondContact NZ-OD1 3.37Å; K308-D427 IonicContact NZ-OD2 2.63Å; K308-D427 PolarHBondContact NZ-OD2 2.98Å; S425-D427 VanDerWaalsContact C-N 3.33Å; S425-D427 PolarHBondContact O-N 3.39Å; D427-Q429 PolarHBondContact O-N 2.96Å
428F55.7Low67.9Low13 Ų1359.7 Ų59.76%0.05731%0.306CS..THydrogen-bonded Turntrans-75.5-8.7178.1-64-78.6000113.5I305 V424 S425 S426 R446 F448I305-F428 HydrophobicContact CD1-CE1 4.49Å; I305-F428 HydrophobicContact CD1-CE2 4.13Å; I305-F428 HydrophobicContact CD1-CZ 3.85Å; V424-F428 HydrophobicContact CG1-CE2 3.92Å; V424-F428 WeakPolarHBondContact O-CD2 3.5Å; V424-F428 WeakPolarHBondContact O-CE2 3.21Å; S425-F428 PolarHBondContact O-N 3.24Å; S426-F428 PolarHBondContact O-N 3.28Å; F428-R446 VanDerWaalsContact O-CZ 3.31Å; F428-R446 PolarHBondContact O-NH1 3.4Å; F428-R446 PolarHBondContact O-NH2 3.3Å; F428-F448 HydrophobicContact CB-CB 4.45Å; F428-F448 HydrophobicContact CB-CD1 4.27Å; F428-F448 HydrophobicContact CD1-CB 4.32Å; F428-F448 HydrophobicContact CD2-CB 3.97Å; F428-F448 HydrophobicContact CD2-CD1 4.48Å; F428-F448 HydrophobicContact CD2-CG 4.13Å; F428-F448 HydrophobicContact CE2-CB 4.29Å; F428-F448 HydrophobicContact CG-CB 3.99Å; F428-F448 HydrophobicContact CG-CG 4.41Å
429Q54.3Low66.7Low29 Ų2963.3 Ų63.314%0.13633%0.326CS..  trans-142.228.4-164.5-65.9-174.218.200117.1S426 D427 D431S426-Q429 PolarHBondContact O-N 3.15Å; D427-Q429 PolarHBondContact O-N 2.96Å; Q429-D431 PolarHBondContact O-N 2.88Å
430K51.4Low66Low169 Ų16964.8 Ų64.874%0.73534%0.337SS*.THydrogen-bonded Turntrans-54.2-14.3179.4-79.3-176.9177.1175.70115.7
431D44.7Very low64.7Low151 Ų15170.7 Ų70.781%0.80737%0.365SS*.THydrogen-bonded Turntrans-132.422.4-167.4-57.6-52.6000117.5Q429Q429-D431 PolarHBondContact O-N 2.88Å
432R51.9Low63Low128 Ų12875 Ų7548%0.48340%0.402SS..  trans-120.3127.6179-71.3-167.7-175.1165.56.7113.9E449R432-E449 IonicContact CZ-OE1 3.38Å; R432-E449 IonicContact CZ-OE2 2.95Å; R432-E449 IonicContact NH1-OE1 3Å; R432-E449 PolarHBondContact NH1-OE1 3.11Å; R432-E449 IonicContact NH1-OE2 2.77Å; R432-E449 PolarHBondContact NH1-OE2 2.96Å; R432-E449 IonicContact NH2-OE2 3.56Å
433P48.2Very low61.3Low100 Ų10077.8 Ų77.865%0.64942%0.422SS*.  trans-64.5152.8-17924.3-31.9000113Q435P433-Q435 PolarHBondContact O-N 2.96Å
434E53.3Low59.7Low142 Ų14284.3 Ų84.366%0.66446%0.456SS*.  trans-58104.3171.9-94.6179136.100109.8K524E434-K524 IonicContact OE2-NZ 3.06Å; E434-K524 PolarHBondContact OE2-NZ 3.13Å
435Q53.1Low58.5Low109 Ų10987.2 Ų87.251%0.50947%0.471SS..  trans-94.4135.5165.3-68.8-178.57.700109.4P433 Q437P433-Q435 PolarHBondContact O-N 2.96Å; Q435-Q437 WeakPolarHBondContact CB-O 3.38Å; Q435-Q437 PolarHBondContact O-N 3.42Å
436S54.6Low58Low114 Ų11492.8 Ų92.880%0.79749%0.492SS*.SBendtrans-62.4-25.6177.253.30000112.8G465S436-G465 WeakPolarHBondContact O-CA 3.24Å
437Q62.9Low58Low109 Ų10992.4 Ų92.451%0.50949%0.49SS..SBendtrans-126.1132.3177.4-175.7174.6-2.500109.9Q435 I463Q435-Q437 WeakPolarHBondContact CB-O 3.38Å; Q435-Q437 PolarHBondContact O-N 3.42Å; Q437-I463 HydrophobicContact CG-CG2 4.34Å
438F68.2Low58.8Low21 Ų2190.3 Ų90.39%0.09248%0.478CS..  trans-84.8119.9174.2-179.4-106.1000110.4L452 C453 R466 L469F438-L452 HydrophobicContact CD1-CB 4.49Å; F438-L452 HydrophobicContact CE1-CB 3.69Å; F438-L452 HydrophobicContact CE2-CB 4.39Å; F438-L452 HydrophobicContact CE2-CD1 4.18Å; F438-L452 HydrophobicContact CZ-CB 3.64Å; F438-L452 HydrophobicContact CZ-CD1 4.19Å; F438-C453 HydrophobicContact CE1-CB 4.49Å; F438-C453 VanDerWaalsContact CE1-SG 3.6Å; F438-R466 HydrophobicContact CB-CB 4.43Å; F438-R466 HydrophobicContact CD2-CB 4.22Å; F438-R466 HydrophobicContact CD2-CG 3.83Å; F438-R466 HydrophobicContact CE2-CG 4.36Å; F438-L469 HydrophobicContact CB-CD1 3.75Å; F438-L469 HydrophobicContact CD1-CD1 3.66Å; F438-L469 HydrophobicContact CG-CD1 3.89Å
439I68.8Low59.8Low97 Ų9790 Ų9050%0.49748%0.477SS..  trans-104.9131178.7-57.5175.2000109.1E441I439-E441 HydrophobicContact CG2-CG 4.36Å; I439-E441 PolarHBondContact O-N 2.88Å
440C75.3Confident61.1Low46 Ų4691.1 Ų91.131%0.31149%0.488SS..  trans-85.898.8175.3-74.30000110.8C453C440-C453 WeakPolarHBondContact CA-SG 3.46Å; C440-C453 HydrophobicContact CB-CB 4.12Å; C440-C453 WeakPolarHBondContact CB-SG 3.26Å; C440-C453 WeakPolarHBondContact SG-CA 3.43Å; C440-C453 WeakPolarHBondContact SG-CB 3.36Å; C440-C453 CovalentContact SG-SG 2.04Å; C440-C453 PolarHBondContact SG-SG 3.33Å
441E65.2Low62.7Low124 Ų12483.3 Ų83.358%0.57945%0.454SS*.  trans-86.3138171.7-65.8178.2-176.400109.8I439 L445I439-E441 HydrophobicContact CG2-CG 4.36Å; I439-E441 PolarHBondContact O-N 2.88Å; E441-L445 WeakPolarHBondContact O-CD2 3.46Å; E441-L445 WeakPolarHBondContact O-CG 3.41Å
442A55.9Low64.6Low101 Ų10176.1 Ų76.184%0.83542%0.416SS*.SBendtrans-79.1-18.1-170.200000113.9
443S49Very low66.2Low89 Ų8970.3 Ų70.362%0.62240%0.395SS*.SBendtrans-92.2116.4-178.146.90000110.3
444D50.4Low68.2Low140 Ų14066.3 Ų66.375%0.74937%0.368SS*.  trans74.842.2173.6-56.4-26.8000118.3R446D444-R446 PolarHBondContact O-N 2.94Å
445L57.1Low69.8Low61 Ų6159.5 Ų59.532%0.31934%0.337SS..  trans-71.889.3172.7-66.5172.2000111.7E441 E449 S450E441-L445 WeakPolarHBondContact O-CD2 3.46Å; E441-L445 WeakPolarHBondContact O-CG 3.41Å; L445-E449 HydrophobicContact CD2-CB 3.68Å; L445-S450 VanDerWaalsContact CB-OG 3.26Å; L445-S450 WeakPolarHBondContact CB-OG 3.48Å; L445-S450 PolarHBondContact O-OG 3.35Å
446R65.7Low71.3Confident118 Ų11855.9 Ų55.945%0.44532%0.324SS..  trans-45.6148.6159.6-70.8-177.4-81.2177.50.7109.6F428 D444 F448 E449 S450F428-R446 VanDerWaalsContact O-CZ 3.31Å; F428-R446 PolarHBondContact O-NH1 3.4Å; F428-R446 PolarHBondContact O-NH2 3.3Å; D444-R446 PolarHBondContact O-N 2.94Å; R446-F448 PolarHBondContact O-N 2.58Å; R446-E449 PolarHBondContact O-N 3.37Å; R446-S450 PolarHBondContact O-N 3.04Å
447S70.6Confident72.8Confident35 Ų3557.5 Ų57.525%0.24532%0.316CS..Hα-helixtrans-46.8-41.4-173.855.40000113.6W298 S450 Q451W298-S447 VanDerWaalsContact CE3-CB 3.45Å; W298-S447 WeakPolarHBondContact CZ3-OG 3.34Å; S447-S450 WeakPolarHBondContact O-CB 3.47Å; S447-S450 PolarHBondContact O-N 3.32Å; S447-Q451 PolarHBondContact O-N 3.19Å
448F77.6Confident73.7Confident1 Ų154.3 Ų54.30%0.00430%0.301CS..Hα-helixtrans-64.8-43.8176.3-170.2-107000113.8F428 R446 S450 Q451 L452 R470 S473 L564F428-F448 HydrophobicContact CB-CB 4.45Å; F428-F448 HydrophobicContact CB-CD1 4.27Å; F428-F448 HydrophobicContact CD1-CB 4.32Å; F428-F448 HydrophobicContact CD2-CB 3.97Å; F428-F448 HydrophobicContact CD2-CD1 4.48Å; F428-F448 HydrophobicContact CD2-CG 4.13Å; F428-F448 HydrophobicContact CE2-CB 4.29Å; F428-F448 HydrophobicContact CG-CB 3.99Å; F428-F448 HydrophobicContact CG-CG 4.41Å; R446-F448 PolarHBondContact O-N 2.58Å; F448-S450 VanDerWaalsContact C-N 3.31Å; F448-S450 PolarHBondContact O-N 3.13Å; F448-Q451 PolarHBondContact O-N 3.38Å; F448-L452 HydrophobicContact CD1-CD1 4.16Å; F448-L452 HydrophobicContact CD1-CG 4.38Å; F448-L452 HydrophobicContact CE1-CD1 3.69Å; F448-L452 HydrophobicContact CE1-CD2 4.24Å; F448-L452 HydrophobicContact CE1-CG 4.01Å; F448-L452 HydrophobicContact CZ-CD1 4.31Å; F448-L452 HydrophobicContact CZ-CD2 4.02Å; F448-L452 HydrophobicContact CZ-CG 4.25Å; F448-L452 WeakPolarHBondContact O-CG 3.1Å; F448-L452 PolarHBondContact O-N 3.27Å; F448-R470 HydrophobicContact CZ-CG 4.21Å; F448-S473 WeakPolarHBondContact CE2-OG 3.32Å; F448-L564 HydrophobicContact CB-CD1 4.29Å; F448-L564 HydrophobicContact CD2-CD1 4.24Å; F448-L564 HydrophobicContact CD2-CD2 4.13Å
449E77.8Confident74Confident7 Ų753.7 Ų53.73%0.03330%0.299CS..Hα-helixtrans-67.3-34.9177.3-60.5-164.715700111.3R432 L445 R446 Q451 L452 C453 R466R432-E449 IonicContact CZ-OE1 3.38Å; R432-E449 IonicContact CZ-OE2 2.95Å; R432-E449 IonicContact NH1-OE1 3Å; R432-E449 PolarHBondContact NH1-OE1 3.11Å; R432-E449 IonicContact NH1-OE2 2.77Å; R432-E449 PolarHBondContact NH1-OE2 2.96Å; R432-E449 IonicContact NH2-OE2 3.56Å; L445-E449 HydrophobicContact CD2-CB 3.68Å; R446-E449 PolarHBondContact O-N 3.37Å; E449-Q451 VanDerWaalsContact C-N 3.35Å; E449-Q451 PolarHBondContact O-N 2.9Å; E449-L452 PolarHBondContact O-N 3.45Å; E449-C453 WeakPolarHBondContact O-CB 3.37Å; E449-C453 PolarHBondContact O-N 3.47Å; E449-R466 IonicContact OE1-NH2 2.72Å; E449-R466 PolarHBondContact OE1-NH2 3.44Å; E449-R466 VanDerWaalsContact OE1-NH2 3.14Å
450S80.5Confident73.9Confident51 Ų5153.8 Ų53.836%0.35731%0.308SS..Hα-helixtrans-59.2-43170.6-75.30000112.2L445 R446 S447 F448 C453 C454L445-S450 VanDerWaalsContact CB-OG 3.26Å; L445-S450 WeakPolarHBondContact CB-OG 3.48Å; L445-S450 PolarHBondContact O-OG 3.35Å; R446-S450 PolarHBondContact O-N 3.04Å; S447-S450 WeakPolarHBondContact O-CB 3.47Å; S447-S450 PolarHBondContact O-N 3.32Å; F448-S450 VanDerWaalsContact C-N 3.31Å; F448-S450 PolarHBondContact O-N 3.13Å; S450-C453 WeakPolarHBondContact O-CB 3.4Å; S450-C453 PolarHBondContact O-N 3.22Å; S450-C454 PolarHBondContact O-N 2.98Å
451Q85.3Confident73.4Confident6 Ų656.9 Ų56.93%0.02833%0.33CS..Hα-helixtrans-64-47.3175.8-166.1-166.518.200111.5S447 F448 E449 C453 C454 L455 S473 N477 C562 I563S447-Q451 PolarHBondContact O-N 3.19Å; F448-Q451 PolarHBondContact O-N 3.38Å; E449-Q451 VanDerWaalsContact C-N 3.35Å; E449-Q451 PolarHBondContact O-N 2.9Å; Q451-C453 PolarHBondContact O-N 2.98Å; Q451-C454 WeakPolarHBondContact O-CB 3.26Å; Q451-C454 PolarHBondContact O-N 2.94Å; Q451-L455 HydrophobicContact CG-CD1 4.49Å; Q451-L455 WeakPolarHBondContact O-CG 3.49Å; Q451-L455 PolarHBondContact O-N 3.44Å; Q451-S473 PolarHBondContact OE1-OG 2.96Å; Q451-N477 PolarHBondContact NE2-ND2 2.91Å; Q451-N477 PolarHBondContact NE2-OD1 3.22Å; Q451-N477 PolarHBondContact OE1-ND2 2.67Å; Q451-C562 PolarHBondContact NE2-O 3.13Å; Q451-I563 VanDerWaalsContact NE2-CA 3.34Å
452L85.7Confident73.6Confident0 Ų057.4 Ų57.40%033%0.327CS..Hα-helixtrans-58.5-37.9177-64-174.5000111.5F438 F448 E449 L455 S456 L469F438-L452 HydrophobicContact CD1-CB 4.49Å; F438-L452 HydrophobicContact CE1-CB 3.69Å; F438-L452 HydrophobicContact CE2-CB 4.39Å; F438-L452 HydrophobicContact CE2-CD1 4.18Å; F438-L452 HydrophobicContact CZ-CB 3.64Å; F438-L452 HydrophobicContact CZ-CD1 4.19Å; F448-L452 HydrophobicContact CD1-CD1 4.16Å; F448-L452 HydrophobicContact CD1-CG 4.38Å; F448-L452 HydrophobicContact CE1-CD1 3.69Å; F448-L452 HydrophobicContact CE1-CD2 4.24Å; F448-L452 HydrophobicContact CE1-CG 4.01Å; F448-L452 HydrophobicContact CZ-CD1 4.31Å; F448-L452 HydrophobicContact CZ-CD2 4.02Å; F448-L452 HydrophobicContact CZ-CG 4.25Å; F448-L452 WeakPolarHBondContact O-CG 3.1Å; F448-L452 PolarHBondContact O-N 3.27Å; E449-L452 PolarHBondContact O-N 3.45Å; L452-L455 PolarHBondContact O-N 3.34Å; L452-S456 WeakPolarHBondContact O-CB 3.2Å; L452-S456 PolarHBondContact O-N 3.45Å; L452-L469 HydrophobicContact CD2-CB 4.04Å
453C85.6Confident74.1Confident6 Ų659.1 Ų59.14%0.04132%0.321CS..Hα-helixtrans-66.1-39174.5-85.10000113.7F438 C440 E449 S450 Q451 K457F438-C453 HydrophobicContact CE1-CB 4.49Å; F438-C453 VanDerWaalsContact CE1-SG 3.6Å; C440-C453 WeakPolarHBondContact CA-SG 3.46Å; C440-C453 HydrophobicContact CB-CB 4.12Å; C440-C453 WeakPolarHBondContact CB-SG 3.26Å; C440-C453 WeakPolarHBondContact SG-CA 3.43Å; C440-C453 WeakPolarHBondContact SG-CB 3.36Å; C440-C453 CovalentContact SG-SG 2.04Å; C440-C453 PolarHBondContact SG-SG 3.33Å; E449-C453 WeakPolarHBondContact O-CB 3.37Å; E449-C453 PolarHBondContact O-N 3.47Å; S450-C453 WeakPolarHBondContact O-CB 3.4Å; S450-C453 PolarHBondContact O-N 3.22Å; Q451-C453 PolarHBondContact O-N 2.98Å; C453-K457 WeakPolarHBondContact O-CB 2.8Å; C453-K457 VanDerWaalsContact O-CG 3.3Å; C453-K457 WeakPolarHBondContact O-CG 3.28Å; C453-K457 PolarHBondContact O-N 3.36Å
454C88.8Confident75.2Confident15 Ų1555.8 Ų55.810%0.10130%0.295CS..Hα-helixtrans-60.3-47.6172.4-1730000111.1S450 Q451 K457 Q458 C562S450-C454 PolarHBondContact O-N 2.98Å; Q451-C454 WeakPolarHBondContact O-CB 3.26Å; Q451-C454 PolarHBondContact O-N 2.94Å; C454-K457 PolarHBondContact O-N 3.05Å; C454-Q458 PolarHBondContact O-N 3.02Å; C454-Q458 VanDerWaalsContact O-N 3.11Å; C454-C562 HydrophobicContact CB-CB 3.65Å; C454-C562 WeakPolarHBondContact CB-SG 2.89Å; C454-C562 PolarHBondContact O-SG 2.8Å; C454-C562 VanDerWaalsContact SG-CA 3.53Å; C454-C562 WeakPolarHBondContact SG-CB 3.32Å; C454-C562 CovalentContact SG-SG 2.04Å; C454-C562 PolarHBondContact SG-SG 2.68Å
455L88.5Confident76.2Confident0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-64.3-43.3179.7-66.8173.5000112.4Q451 L452 Q458 N459 L469 L472 I476 H540 C562Q451-L455 HydrophobicContact CG-CD1 4.49Å; Q451-L455 WeakPolarHBondContact O-CG 3.49Å; Q451-L455 PolarHBondContact O-N 3.44Å; L452-L455 PolarHBondContact O-N 3.34Å; L455-Q458 PolarHBondContact O-N 2.8Å; L455-N459 WeakPolarHBondContact O-CB 3.44Å; L455-N459 PolarHBondContact O-N 2.9Å; L455-N459 VanDerWaalsContact O-N 3.1Å; L455-N459 PolarHBondContact O-ND2 3.03Å; L455-N459 VanDerWaalsContact O-ND2 3.08Å; L455-L469 HydrophobicContact CB-CD2 4.09Å; L455-L472 HydrophobicContact CB-CD2 4.49Å; L455-L472 HydrophobicContact CD1-CD2 4.33Å; L455-L472 HydrophobicContact CD1-CG 4.32Å; L455-L472 HydrophobicContact CD2-CD2 4.03Å; L455-L472 HydrophobicContact CD2-CG 4.44Å; L455-I476 HydrophobicContact CD1-CD1 4.38Å; L455-I476 HydrophobicContact CD2-CD1 3.58Å; L455-H540 WeakPolarHBondContact CD2-NE2 3.34Å; L455-C562 HydrophobicContact CD2-CB 3.52Å; L455-C562 HydrophobicContact CG-CB 3.9Å
456S84.7Confident77.1Confident33 Ų3348.2 Ų48.223%0.23126%0.257CS..Hα-helixtrans-60.1-46.5176.5-176.80000111.3L452 Q458 N459 S460L452-S456 WeakPolarHBondContact O-CB 3.2Å; L452-S456 PolarHBondContact O-N 3.45Å; S456-Q458 PolarHBondContact O-N 3.18Å; S456-N459 CarbonylContact O-C 3.53Å; S456-N459 PolarHBondContact O-N 2.87Å; S456-S460 PolarHBondContact O-N 3.47Å; S456-S460 VanDerWaalsContact O-N 3.16Å
457K84.5Confident77.6Confident147 Ų14746 Ų4664%0.63925%0.251SS*.Hα-helixtrans-62.9-40.3179.1-75.1176.9-179.4-178.60113C453 C454 N459 S460C453-K457 WeakPolarHBondContact O-CB 2.8Å; C453-K457 VanDerWaalsContact O-CG 3.3Å; C453-K457 WeakPolarHBondContact O-CG 3.28Å; C453-K457 PolarHBondContact O-N 3.36Å; C454-K457 PolarHBondContact O-N 3.05Å; K457-N459 VanDerWaalsContact C-N 3.31Å; K457-S460 PolarHBondContact O-OG 2.91Å
458Q81.6Confident78Confident43 Ų4346 Ų4620%0.20125%0.249CC..Hα-helixtrans-76.6-19.5179.9-71.2-168.518.700114C454 L455 S456 H540 H558 K560 C562C454-Q458 PolarHBondContact O-N 3.02Å; C454-Q458 VanDerWaalsContact O-N 3.11Å; L455-Q458 PolarHBondContact O-N 2.8Å; S456-Q458 PolarHBondContact O-N 3.18Å; Q458-H540 PolarHBondContact OE1-CE1 3.07Å; Q458-H558 PolarHBondContact NE2-CE1 3.42Å; Q458-H558 VanDerWaalsContact NE2-CE1 3.32Å; Q458-H558 PolarHBondContact NE2-ND1 3.13Å; Q458-K560 PolarHBondContact NE2-O 3Å; Q458-C562 PolarHBondContact NE2-SG 2.91Å
459N75.2Confident78.2Confident8 Ų846 Ų464%0.04325%0.249CC..THydrogen-bonded Turntrans-109.725.1178.5-64.7-45.2000112.2L455 S456 K457 S461 R462 F464 K539L455-N459 WeakPolarHBondContact O-CB 3.44Å; L455-N459 PolarHBondContact O-N 2.9Å; L455-N459 VanDerWaalsContact O-N 3.1Å; L455-N459 PolarHBondContact O-ND2 3.03Å; L455-N459 VanDerWaalsContact O-ND2 3.08Å; S456-N459 CarbonylContact O-C 3.53Å; S456-N459 PolarHBondContact O-N 2.87Å; K457-N459 VanDerWaalsContact C-N 3.31Å; N459-S461 PolarHBondContact O-N 3.24Å; N459-R462 PolarHBondContact O-N 3.12Å; N459-F464 HydrophobicContact CB-CD2 4.01Å; N459-F464 HydrophobicContact CB-CE2 3.81Å; N459-K539 PolarHBondContact OD1-NZ 2.87Å
460S66.5Low78.4Confident99 Ų9948.6 Ų48.669%0.69226%0.258SS*.THydrogen-bonded Turntrans-56.7-19.4-174.857.80000115.1S456 K457 R462S456-S460 PolarHBondContact O-N 3.47Å; S456-S460 VanDerWaalsContact O-N 3.16Å; K457-S460 PolarHBondContact O-OG 2.91Å; S460-R462 PolarHBondContact O-N 3.35Å
461S65.9Low78.6Confident110 Ų11047.3 Ų47.377%0.76925%0.249SC*.THydrogen-bonded Turntrans-69.3-14.6172.957.80000113.9N459N459-S461 PolarHBondContact O-N 3.24Å
462R69Low78.6Confident136 Ų13647 Ų4751%0.51325%0.248SC..SBendtrans-128.3123.2177.9-65.8-179.4-176.4173.26.3109.2N459 S460 F464 S531N459-R462 PolarHBondContact O-N 3.12Å; S460-R462 PolarHBondContact O-N 3.35Å; R462-F464 HydrophobicContact CB-CD2 3.99Å; R462-F464 HydrophobicContact CB-CE1 4.18Å; R462-F464 HydrophobicContact CB-CE2 3.38Å; R462-F464 HydrophobicContact CB-CZ 3.51Å; R462-F464 VanDerWaalsContact CD-CZ 3.49Å; R462-F464 HydrophobicContact CG-CE2 4.3Å; R462-F464 HydrophobicContact CG-CZ 4.15Å; R462-F464 WeakPolarHBondContact O-CD2 3.44Å; R462-F464 PolarHBondContact O-N 3.43Å; R462-F464 VanDerWaalsContact O-N 3.13Å; R462-S531 PolarHBondContact NH1-O 3.02Å; R462-S531 VanDerWaalsContact NH1-O 3.11Å
463I65.6Low78.8Confident137 Ų13747 Ų4770%0.70325%0.248SC*.  trans-75.2106.1175.3-58.4175.4000108.1Q437Q437-I463 HydrophobicContact CG-CG2 4.34Å
464F72.1Confident79Confident19 Ų1947 Ų478%0.08325%0.247CC..  trans-102.5130.6175.8-67.4-62.3000110.8N459 R462 N468 L469 S531 F532N459-F464 HydrophobicContact CB-CD2 4.01Å; N459-F464 HydrophobicContact CB-CE2 3.81Å; R462-F464 HydrophobicContact CB-CD2 3.99Å; R462-F464 HydrophobicContact CB-CE1 4.18Å; R462-F464 HydrophobicContact CB-CE2 3.38Å; R462-F464 HydrophobicContact CB-CZ 3.51Å; R462-F464 VanDerWaalsContact CD-CZ 3.49Å; R462-F464 HydrophobicContact CG-CE2 4.3Å; R462-F464 HydrophobicContact CG-CZ 4.15Å; R462-F464 WeakPolarHBondContact O-CD2 3.44Å; R462-F464 PolarHBondContact O-N 3.43Å; R462-F464 VanDerWaalsContact O-N 3.13Å; F464-N468 HydrophobicContact CB-CB 4.17Å; F464-N468 HydrophobicContact CD1-CB 4.06Å; F464-N468 HydrophobicContact CG-CB 4.48Å; F464-L469 HydrophobicContact CB-CD2 3.98Å; F464-L469 HydrophobicContact CB-CG 3.92Å; F464-L469 HydrophobicContact CD2-CD2 4.43Å; F464-S531 WeakPolarHBondContact CE1-OG 3.4Å; F464-F532 AromaticContact CD1-CE1 3.89Å; F464-F532 HydrophobicContact CD1-CE1 3.89Å; F464-F532 AromaticContact CD1-CZ 3.79Å; F464-F532 HydrophobicContact CD1-CZ 3.79Å; F464-F532 AromaticContact CD2-CE1 3.79Å; F464-F532 HydrophobicContact CD2-CE1 3.79Å; F464-F532 HydrophobicContact CD2-CZ 4.27Å; F464-F532 HydrophobicContact CE1-CD1 4.26Å; F464-F532 AromaticContact CE1-CE1 3.6Å; F464-F532 HydrophobicContact CE1-CE1 3.6Å; F464-F532 AromaticContact CE1-CZ 3.85Å; F464-F532 HydrophobicContact CE1-CZ 3.85Å; F464-F532 HydrophobicContact CE2-CD1 4.17Å; F464-F532 AromaticContact CE2-CE1 3.45Å; F464-F532 HydrophobicContact CE2-CE1 3.45Å; F464-F532 VanDerWaalsContact CE2-CE1 3.45Å; F464-F532 HydrophobicContact CE2-CZ 4.29Å; F464-F532 AromaticContact CG-CE1 3.98Å; F464-F532 HydrophobicContact CG-CE1 3.98Å; F464-F532 HydrophobicContact CG-CZ 4Å; F464-F532 AromaticContact CZ-CD1 3.83Å; F464-F532 HydrophobicContact CZ-CD1 3.83Å; F464-F532 AromaticContact CZ-CE1 3.34Å; F464-F532 HydrophobicContact CZ-CE1 3.34Å; F464-F532 HydrophobicContact CZ-CZ 4.08Å
465G72.4Confident79Confident16 Ų1646.2 Ų46.217%0.16524%0.242CC..  trans-66.3162166.400000111.6S436 E467 N468 L469S436-G465 WeakPolarHBondContact O-CA 3.24Å; G465-E467 VanDerWaalsContact C-N 3.25Å; G465-E467 PolarHBondContact O-N 3.09Å; G465-N468 PolarHBondContact O-N 2.72Å; G465-N468 VanDerWaalsContact O-N 3.11Å; G465-L469 PolarHBondContact O-N 2.72Å
466R75.4Confident79.2Confident25 Ų2546.4 Ų46.49%0.09424%0.243CC..Hα-helixtrans-55-39.2-177.9-168.4177.4-162.3179.52.3113.2F438 E449 L469 R470F438-R466 HydrophobicContact CB-CB 4.43Å; F438-R466 HydrophobicContact CD2-CB 4.22Å; F438-R466 HydrophobicContact CD2-CG 3.83Å; F438-R466 HydrophobicContact CE2-CG 4.36Å; E449-R466 IonicContact OE1-NH2 2.72Å; E449-R466 PolarHBondContact OE1-NH2 3.44Å; E449-R466 VanDerWaalsContact OE1-NH2 3.14Å; R466-L469 PolarHBondContact O-N 2.69Å; R466-R470 WeakPolarHBondContact O-CB 3.37Å; R466-R470 PolarHBondContact O-N 2.86Å
467E76.1Confident79.6Confident71 Ų7145.4 Ų45.433%0.33224%0.235SC..Hα-helixtrans-63.4-40.5178.6-73.4-58.5141.800113.2G465 R470 S471G465-E467 VanDerWaalsContact C-N 3.25Å; G465-E467 PolarHBondContact O-N 3.09Å; E467-R470 PolarHBondContact O-N 3Å; E467-R470 IonicContact OE1-CZ 3.75Å; E467-R470 IonicContact OE1-NE 3.21Å; E467-R470 IonicContact OE1-NH1 3.66Å; E467-R470 IonicContact OE1-NH2 3.82Å; E467-R470 PolarHBondContact OE1-NH2 2.8Å; E467-R470 VanDerWaalsContact OE1-NH2 3.1Å; E467-R470 IonicContact OE2-CZ 3.54Å; E467-R470 IonicContact OE2-NE 2.66Å; E467-R470 PolarHBondContact OE2-NE 2.97Å; E467-R470 IonicContact OE2-NH2 2.79Å; E467-R470 PolarHBondContact OE2-NH2 3.01Å; E467-S471 WeakPolarHBondContact O-CB 3.46Å; E467-S471 PolarHBondContact O-N 2.74Å
468N78.5Confident80.1Confident37 Ų3738.4 Ų38.420%0.19820%0.204CC..Hα-helixtrans-65.4-45.3175.9-73.1-20.8000110.6F464 G465 R470 S471 L472 L528 F532F464-N468 HydrophobicContact CB-CB 4.17Å; F464-N468 HydrophobicContact CD1-CB 4.06Å; F464-N468 HydrophobicContact CG-CB 4.48Å; G465-N468 PolarHBondContact O-N 2.72Å; G465-N468 VanDerWaalsContact O-N 3.11Å; N468-R470 VanDerWaalsContact C-N 3.32Å; N468-R470 PolarHBondContact O-N 2.66Å; N468-S471 WeakPolarHBondContact O-CB 3.41Å; N468-S471 PolarHBondContact O-N 2.85Å; N468-L472 PolarHBondContact O-N 2.99Å; N468-L528 WeakPolarHBondContact OD1-CD2 3.44Å; N468-F532 HydrophobicContact CB-CE2 3.94Å; N468-F532 HydrophobicContact CB-CZ 3.82Å; N468-F532 WeakPolarHBondContact O-CE2 3.35Å; N468-F532 WeakPolarHBondContact O-CZ 3.49Å
469L83.2Confident80.8Confident0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-63.4-37.6177.1-67.3173.3000112.2F438 L452 L455 F464 G465 R466 L472 S473F438-L469 HydrophobicContact CB-CD1 3.75Å; F438-L469 HydrophobicContact CD1-CD1 3.66Å; F438-L469 HydrophobicContact CG-CD1 3.89Å; L452-L469 HydrophobicContact CD2-CB 4.04Å; L455-L469 HydrophobicContact CB-CD2 4.09Å; F464-L469 HydrophobicContact CB-CD2 3.98Å; F464-L469 HydrophobicContact CB-CG 3.92Å; F464-L469 HydrophobicContact CD2-CD2 4.43Å; G465-L469 PolarHBondContact O-N 2.72Å; R466-L469 PolarHBondContact O-N 2.69Å; L469-L472 PolarHBondContact O-N 3.19Å; L469-S473 WeakPolarHBondContact O-CB 3.43Å; L469-S473 PolarHBondContact O-N 3.49Å
470R81.9Confident81.8Confident62 Ų6237.4 Ų37.423%0.23420%0.2CC..Hα-helixtrans-64.1-45.9173.8-179.3172.573165.85.7111.5F448 R466 E467 N468 L472 S473 N474F448-R470 HydrophobicContact CZ-CG 4.21Å; R466-R470 WeakPolarHBondContact O-CB 3.37Å; R466-R470 PolarHBondContact O-N 2.86Å; E467-R470 PolarHBondContact O-N 3Å; E467-R470 IonicContact OE1-CZ 3.75Å; E467-R470 IonicContact OE1-NE 3.21Å; E467-R470 IonicContact OE1-NH1 3.66Å; E467-R470 IonicContact OE1-NH2 3.82Å; E467-R470 PolarHBondContact OE1-NH2 2.8Å; E467-R470 VanDerWaalsContact OE1-NH2 3.1Å; E467-R470 IonicContact OE2-CZ 3.54Å; E467-R470 IonicContact OE2-NE 2.66Å; E467-R470 PolarHBondContact OE2-NE 2.97Å; E467-R470 IonicContact OE2-NH2 2.79Å; E467-R470 PolarHBondContact OE2-NH2 3.01Å; N468-R470 VanDerWaalsContact C-N 3.32Å; N468-R470 PolarHBondContact O-N 2.66Å; R470-L472 VanDerWaalsContact C-N 3.31Å; R470-L472 PolarHBondContact O-N 2.82Å; R470-S473 PolarHBondContact O-N 2.86Å; R470-N474 WeakPolarHBondContact O-CB 3.27Å; R470-N474 PolarHBondContact O-N 2.87Å; R470-N474 PolarHBondContact O-ND2 3.41Å
471S83.5Confident83.2Confident23 Ų2332.9 Ų32.916%0.16117%0.168CC..Hα-helixtrans-56.6-47174.6177.90000111.1R418 E467 N468 N474 D475R418-S471 PolarHBondContact NH1-OG 3.07Å; R418-S471 PolarHBondContact NH2-OG 3.27Å; E467-S471 WeakPolarHBondContact O-CB 3.46Å; E467-S471 PolarHBondContact O-N 2.74Å; N468-S471 WeakPolarHBondContact O-CB 3.41Å; N468-S471 PolarHBondContact O-N 2.85Å; S471-N474 PolarHBondContact O-N 3.29Å; S471-D475 PolarHBondContact O-N 2.94Å
472L86.7Confident84.7Confident0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-62-44.4177.6177.461.9000112.3L455 N468 L469 R470 N474 D475 I476 F532 L537L455-L472 HydrophobicContact CB-CD2 4.49Å; L455-L472 HydrophobicContact CD1-CD2 4.33Å; L455-L472 HydrophobicContact CD1-CG 4.32Å; L455-L472 HydrophobicContact CD2-CD2 4.03Å; L455-L472 HydrophobicContact CD2-CG 4.44Å; N468-L472 PolarHBondContact O-N 2.99Å; L469-L472 PolarHBondContact O-N 3.19Å; R470-L472 VanDerWaalsContact C-N 3.31Å; R470-L472 PolarHBondContact O-N 2.82Å; L472-N474 PolarHBondContact O-N 2.99Å; L472-D475 PolarHBondContact O-N 3.29Å; L472-I476 HydrophobicContact CD1-CD1 3.9Å; L472-I476 HydrophobicContact CD1-CG1 4.18Å; L472-I476 HydrophobicContact CD2-CD1 4.48Å; L472-I476 HydrophobicContact CG-CD1 3.8Å; L472-I476 HydrophobicContact CG-CG1 4.5Å; L472-I476 VanDerWaalsContact O-CG1 3.32Å; L472-I476 WeakPolarHBondContact O-CG1 3.4Å; L472-I476 PolarHBondContact O-N 3.22Å; L472-F532 HydrophobicContact CB-CD1 4.4Å; L472-F532 HydrophobicContact CB-CD2 4.02Å; L472-F532 HydrophobicContact CB-CE1 4.16Å; L472-F532 HydrophobicContact CB-CE2 3.79Å; L472-F532 HydrophobicContact CB-CG 4.32Å; L472-F532 HydrophobicContact CB-CZ 3.84Å; L472-F532 HydrophobicContact CD1-CB 4.22Å; L472-F532 HydrophobicContact CD1-CD1 4.15Å; L472-F532 HydrophobicContact CD1-CD2 4.38Å; L472-F532 HydrophobicContact CD1-CG 3.98Å; L472-F532 HydrophobicContact CD2-CD1 3.78Å; L472-F532 HydrophobicContact CD2-CE1 3.64Å; L472-F532 HydrophobicContact CD2-CG 4.39Å; L472-F532 HydrophobicContact CD2-CZ 4.15Å; L472-F532 HydrophobicContact CG-CD1 4.33Å; L472-F532 HydrophobicContact CG-CE1 4.35Å; L472-F532 HydrophobicContact CG-CG 4.45Å; L472-L537 HydrophobicContact CD1-CD1 3.38Å; L472-L537 HydrophobicContact CD1-CG 3.83Å
473S88.8Confident86.1Confident0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-59.3-46175.6165.70000111.4F448 Q451 L469 R470 D475 I476 N477F448-S473 WeakPolarHBondContact CE2-OG 3.32Å; Q451-S473 PolarHBondContact OE1-OG 2.96Å; L469-S473 WeakPolarHBondContact O-CB 3.43Å; L469-S473 PolarHBondContact O-N 3.49Å; R470-S473 PolarHBondContact O-N 2.86Å; S473-D475 VanDerWaalsContact C-N 3.28Å; S473-D475 PolarHBondContact O-N 2.99Å; S473-I476 PolarHBondContact O-N 2.9Å; S473-N477 WeakPolarHBondContact O-CB 3.45Å; S473-N477 PolarHBondContact O-N 3.25Å; S473-N477 PolarHBondContact O-ND2 2.76Å; S473-N477 PolarHBondContact OG-ND2 3Å; S473-N477 VanDerWaalsContact OG-ND2 3.13Å
474N89.1Confident87.6Confident5 Ų517.7 Ų17.73%0.0279%0.091CC..Hα-helixtrans-62.5-37.1177.9-67.3-17.3000111.7R418 M421 S422 R470 S471 L472 G478R418-N474 WeakPolarHBondContact CA-O 3.34Å; R418-N474 HydrophobicContact CG-CB 3.96Å; M421-N474 HydrophobicContact CB-CB 4.42Å; M421-N474 PolarHBondContact O-OD1 3.27Å; S422-N474 WeakPolarHBondContact CA-ND2 3.37Å; S422-N474 WeakPolarHBondContact CB-ND2 3.25Å; S422-N474 PolarHBondContact OG-ND2 3.23Å; R470-N474 WeakPolarHBondContact O-CB 3.27Å; R470-N474 PolarHBondContact O-N 2.87Å; R470-N474 PolarHBondContact O-ND2 3.41Å; S471-N474 PolarHBondContact O-N 3.29Å; L472-N474 PolarHBondContact O-N 2.99Å; N474-G478 WeakPolarHBondContact O-CA 3.39Å; N474-G478 PolarHBondContact O-N 3.23Å
475D90.1Very high88.8Confident0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-66.4-48.1175.7-75.7-39.3000113.1R418 S471 L472 S473 G478 L479 Y530 L537R418-D475 VanDerWaalsContact CD-OD1 3.22Å; R418-D475 WeakPolarHBondContact CD-OD1 3.27Å; R418-D475 IonicContact CZ-OD1 2.63Å; R418-D475 IonicContact CZ-OD2 2.91Å; R418-D475 IonicContact NE-OD1 2.69Å; R418-D475 IonicContact NH1-OD1 3.79Å; R418-D475 PolarHBondContact NH1-OD1 3.44Å; R418-D475 IonicContact NH1-OD2 3.74Å; R418-D475 PolarHBondContact NH1-OD2 3.4Å; S471-D475 PolarHBondContact O-N 2.94Å; L472-D475 PolarHBondContact O-N 3.29Å; S473-D475 VanDerWaalsContact C-N 3.28Å; S473-D475 PolarHBondContact O-N 2.99Å; D475-G478 PolarHBondContact O-N 2.95Å; D475-L479 WeakPolarHBondContact O-CB 3.41Å; D475-L479 PolarHBondContact O-N 3.47Å; D475-Y530 WeakPolarHBondContact OD2-CE2 3.47Å; D475-Y530 PolarHBondContact OD2-OH 2.93Å; D475-L537 HydrophobicContact CB-CD2 3.57Å; D475-L537 HydrophobicContact CB-CG 4.13Å
476I93Very high90.1Very high4 Ų416.3 Ų16.32%0.0218%0.08CC..Hα-helixtrans-61-55180-67.8162.5000109.8L455 L472 S473 G478 L479 M480 L537 H540 I563L455-I476 HydrophobicContact CD1-CD1 4.38Å; L455-I476 HydrophobicContact CD2-CD1 3.58Å; L472-I476 HydrophobicContact CD1-CD1 3.9Å; L472-I476 HydrophobicContact CD1-CG1 4.18Å; L472-I476 HydrophobicContact CD2-CD1 4.48Å; L472-I476 HydrophobicContact CG-CD1 3.8Å; L472-I476 HydrophobicContact CG-CG1 4.5Å; L472-I476 VanDerWaalsContact O-CG1 3.32Å; L472-I476 WeakPolarHBondContact O-CG1 3.4Å; L472-I476 PolarHBondContact O-N 3.22Å; S473-I476 PolarHBondContact O-N 2.9Å; I476-G478 VanDerWaalsContact C-N 3.31Å; I476-G478 PolarHBondContact O-N 3.37Å; I476-L479 PolarHBondContact O-N 3.48Å; I476-M480 HydrophobicContact CG2-SD 4.16Å; I476-M480 WeakPolarHBondContact O-CG 3.48Å; I476-M480 PolarHBondContact O-N 2.89Å; I476-L537 HydrophobicContact CG1-CB 4.23Å; I476-L537 HydrophobicContact CG1-CG 4.19Å; I476-H540 HydrophobicContact CD1-CB 4.29Å; I476-H540 VanDerWaalsContact CD1-CD2 3.41Å; I476-H540 WeakPolarHBondContact CD1-CD2 3.43Å; I476-H540 HydrophobicContact CG2-CB 3.95Å; I476-I563 HydrophobicContact CG2-CG2 4.3Å
477N92.9Very high91.1Very high11 Ų1115.6 Ų15.66%0.0598%0.081CC..Hα-helixtrans-68-34.6-176.6-64.9-49.6000111.2M421 Q451 S473 M480 L481 L564M421-N477 HydrophobicContact CB-CB 4.38Å; M421-N477 HydrophobicContact CE-CB 3.73Å; M421-N477 HydrophobicContact CG-CB 3.71Å; M421-N477 HydrophobicContact SD-CB 4.09Å; Q451-N477 PolarHBondContact NE2-ND2 2.91Å; Q451-N477 PolarHBondContact NE2-OD1 3.22Å; Q451-N477 PolarHBondContact OE1-ND2 2.67Å; S473-N477 WeakPolarHBondContact O-CB 3.45Å; S473-N477 PolarHBondContact O-N 3.25Å; S473-N477 PolarHBondContact O-ND2 2.76Å; S473-N477 PolarHBondContact OG-ND2 3Å; S473-N477 VanDerWaalsContact OG-ND2 3.13Å; N477-M480 PolarHBondContact O-N 3.27Å; N477-L481 VanDerWaalsContact O-CB 3.29Å; N477-L481 WeakPolarHBondContact O-CB 3.34Å; N477-L481 PolarHBondContact O-N 3.32Å; N477-L564 WeakPolarHBondContact OD1-CB 3.39Å; N477-L564 PolarHBondContact OD1-N 3.38Å
478G94.5Very high92.1Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-66.1-38.9175.900000112.9G417 N474 D475 I476 S482G417-G478 VanDerWaalsContact C-CA 3.44Å; N474-G478 WeakPolarHBondContact O-CA 3.39Å; N474-G478 PolarHBondContact O-N 3.23Å; D475-G478 PolarHBondContact O-N 2.95Å; I476-G478 VanDerWaalsContact C-N 3.31Å; I476-G478 PolarHBondContact O-N 3.37Å; G478-S482 WeakPolarHBondContact O-CB 3.29Å; G478-S482 PolarHBondContact O-N 3.5Å
479L95.8Very high92.9Very high3 Ų313.1 Ų13.12%0.0167%0.066CC..Hα-helixtrans-65.5-45.5174.9-177.565.5000111W414 D475 I476 S482 F483 F502 F503 F506 L538W414-L479 HydrophobicContact CB-CD1 4.19Å; W414-L479 HydrophobicContact CG-CD1 4.16Å; D475-L479 WeakPolarHBondContact O-CB 3.41Å; D475-L479 PolarHBondContact O-N 3.47Å; I476-L479 PolarHBondContact O-N 3.48Å; L479-S482 WeakPolarHBondContact O-CB 3.43Å; L479-S482 PolarHBondContact O-N 3.28Å; L479-F483 PolarHBondContact O-N 3.39Å; L479-F502 HydrophobicContact CD1-CE1 3.67Å; L479-F502 HydrophobicContact CD1-CZ 3.76Å; L479-F502 HydrophobicContact CG-CE1 4.36Å; L479-F503 HydrophobicContact CD2-CE1 4.33Å; L479-F506 HydrophobicContact CD1-CB 4.29Å; L479-F506 HydrophobicContact CD1-CD1 4.11Å; L479-F506 HydrophobicContact CD1-CD2 3.68Å; L479-F506 HydrophobicContact CD1-CE1 4.4Å; L479-F506 HydrophobicContact CD1-CE2 4.03Å; L479-F506 HydrophobicContact CD1-CG 3.73Å; L479-F506 HydrophobicContact CD1-CZ 4.36Å; L479-F506 HydrophobicContact CD2-CD1 3.97Å; L479-F506 HydrophobicContact CD2-CE1 3.65Å; L479-F506 HydrophobicContact CD2-CE2 4.31Å; L479-F506 HydrophobicContact CD2-CG 4.42Å; L479-F506 HydrophobicContact CD2-CZ 3.83Å; L479-L538 HydrophobicContact CD2-CD2 3.79Å
480M95.6Very high93.6Very high28 Ų2813.4 Ų13.414%0.1387%0.068CC..Hα-helixtrans-63.5-42.2177.2-69.5179.170.200112.2I476 N477 S482 F483 T484 I563I476-M480 HydrophobicContact CG2-SD 4.16Å; I476-M480 WeakPolarHBondContact O-CG 3.48Å; I476-M480 PolarHBondContact O-N 2.89Å; N477-M480 PolarHBondContact O-N 3.27Å; M480-S482 VanDerWaalsContact C-N 3.28Å; M480-S482 PolarHBondContact O-N 3.47Å; M480-F483 PolarHBondContact O-N 2.97Å; M480-T484 VanDerWaalsContact O-CB 3.29Å; M480-T484 WeakPolarHBondContact O-CB 3.46Å; M480-T484 PolarHBondContact O-N 3.21Å; M480-T484 PolarHBondContact O-OG1 2.7Å; M480-I563 HydrophobicContact CE-CB 4.34Å; M480-I563 HydrophobicContact CE-CD1 4.02Å; M480-I563 HydrophobicContact CE-CG2 3.95Å; M480-I563 HydrophobicContact SD-CB 4.08Å; M480-I563 HydrophobicContact SD-CG2 3.41Å; M480-I563 WeakPolarHBondContact SD-CG2 3.29Å
481L96.9Very high94.2Very high4 Ų417.5 Ų17.52%0.0219%0.092CC..Hα-helixtrans-58.4-43.7173.9174.961.5000110.9L285 T288 L289 L292 L420 N477 T485L285-L481 HydrophobicContact CD2-CG 4.12Å; T288-L481 HydrophobicContact CG2-CD1 3.8Å; L289-L481 HydrophobicContact CB-CD1 3.87Å; L289-L481 HydrophobicContact CB-CD2 4.09Å; L289-L481 HydrophobicContact CD1-CD2 4.4Å; L289-L481 HydrophobicContact CD2-CD2 4.38Å; L292-L481 HydrophobicContact CD1-CD1 4.11Å; L420-L481 HydrophobicContact CB-CD2 4.37Å; L420-L481 HydrophobicContact CD1-CD2 4.22Å; N477-L481 VanDerWaalsContact O-CB 3.29Å; N477-L481 WeakPolarHBondContact O-CB 3.34Å; N477-L481 PolarHBondContact O-N 3.32Å; L481-T485 WeakPolarHBondContact O-CB 3.27Å; L481-T485 PolarHBondContact O-N 3.34Å; L481-T485 PolarHBondContact O-OG1 2.02Å
482S98Very high94.6Very high0 Ų024.9 Ų24.90%012%0.116CC..Hα-helixtrans-63.7-49177.9-173.30000112.6Y409 G413 W414 G478 L479 M480 T484 T485 Y486Y409-S482 PolarHBondContact O-OG 3.45Å; G413-S482 VanDerWaalsContact C-OG 3.23Å; G413-S482 WeakPolarHBondContact CA-OG 3.47Å; W414-S482 PolarHBondContact N-OG 2.95Å; G478-S482 WeakPolarHBondContact O-CB 3.29Å; G478-S482 PolarHBondContact O-N 3.5Å; L479-S482 WeakPolarHBondContact O-CB 3.43Å; L479-S482 PolarHBondContact O-N 3.28Å; M480-S482 VanDerWaalsContact C-N 3.28Å; M480-S482 PolarHBondContact O-N 3.47Å; S482-T484 PolarHBondContact O-N 2.9Å; S482-T485 PolarHBondContact O-N 3.47Å; S482-Y486 WeakPolarHBondContact O-CB 3.08Å; S482-Y486 PolarHBondContact O-N 3.31Å
483F98.1Very high94.9Very high17 Ų1728.9 Ų28.98%0.07514%0.137CC..Hα-helixtrans-62.6-43.7178.5-173.3-95.4000112L479 M480 T485 Y486 G487 L497 F502 F503 E543 V547L479-F483 PolarHBondContact O-N 3.39Å; M480-F483 PolarHBondContact O-N 2.97Å; F483-T485 VanDerWaalsContact C-N 3.31Å; F483-T485 PolarHBondContact O-N 3.11Å; F483-Y486 WeakPolarHBondContact O-CB 3.48Å; F483-Y486 PolarHBondContact O-N 3.11Å; F483-G487 PolarHBondContact O-N 2.91Å; F483-L497 HydrophobicContact CE1-CD2 4.31Å; F483-L497 HydrophobicContact CE2-CD1 4.39Å; F483-L497 HydrophobicContact CZ-CD1 4.33Å; F483-L497 HydrophobicContact CZ-CD2 3.88Å; F483-L497 HydrophobicContact CZ-CG 4.39Å; F483-F502 HydrophobicContact CB-CE1 3.85Å; F483-F502 HydrophobicContact CB-CE2 4.23Å; F483-F502 HydrophobicContact CB-CZ 3.67Å; F483-F502 HydrophobicContact CD2-CB 4.47Å; F483-F502 AromaticContact CD2-CD1 3.5Å; F483-F502 HydrophobicContact CD2-CD1 3.5Å; F483-F502 HydrophobicContact CD2-CD2 4.18Å; F483-F502 AromaticContact CD2-CE1 3.66Å; F483-F502 HydrophobicContact CD2-CE1 3.66Å; F483-F502 HydrophobicContact CD2-CE2 4.28Å; F483-F502 AromaticContact CD2-CG 3.8Å; F483-F502 HydrophobicContact CD2-CG 3.8Å; F483-F502 HydrophobicContact CD2-CZ 4.05Å; F483-F502 HydrophobicContact CE2-CD1 4.19Å; F483-F502 HydrophobicContact CE2-CG 4.36Å; F483-F502 HydrophobicContact CG-CD1 4.48Å; F483-F502 HydrophobicContact CG-CE1 4.22Å; F483-F502 HydrophobicContact CG-CZ 4.38Å; F483-F503 AromaticContact CD2-CE2 3.93Å; F483-F503 HydrophobicContact CD2-CE2 3.93Å; F483-F503 AromaticContact CD2-CZ 3.84Å; F483-F503 HydrophobicContact CD2-CZ 3.84Å; F483-F503 HydrophobicContact CE2-CD2 4.44Å; F483-F503 AromaticContact CE2-CE2 3.66Å; F483-F503 HydrophobicContact CE2-CE2 3.66Å; F483-F503 HydrophobicContact CE2-CZ 4.03Å; F483-F503 HydrophobicContact CG-CZ 4.19Å; F483-F503 HydrophobicContact CZ-CE2 4.18Å; F483-E543 HydrophobicContact CD1-CB 3.63Å; F483-E543 HydrophobicContact CD1-CG 3.64Å; F483-E543 HydrophobicContact CE1-CB 3.46Å; F483-E543 VanDerWaalsContact CE1-CB 3.46Å; F483-E543 HydrophobicContact CE1-CG 3.72Å; F483-E543 HydrophobicContact CG-CB 4.41Å; F483-E543 HydrophobicContact CZ-CB 4.11Å; F483-V547 HydrophobicContact CZ-CG2 4.26Å
484T97.1Very high95Very high47 Ų4740.4 Ų40.429%0.28818%0.181SC..Hα-helixtrans-60.4-42.6177.2-58.20000111.1T288 L292 M480 S482 G487 R488T288-T484 HydrophobicContact CG2-CG2 3.77Å; L292-T484 HydrophobicContact CD1-CG2 4.41Å; L292-T484 HydrophobicContact CD2-CG2 4.49Å; M480-T484 VanDerWaalsContact O-CB 3.29Å; M480-T484 WeakPolarHBondContact O-CB 3.46Å; M480-T484 PolarHBondContact O-N 3.21Å; M480-T484 PolarHBondContact O-OG1 2.7Å; S482-T484 PolarHBondContact O-N 2.9Å; T484-G487 PolarHBondContact O-N 3.2Å; T484-R488 WeakPolarHBondContact O-CB 3.38Å; T484-R488 PolarHBondContact O-N 3.23Å
485T98.2Very high95.1Very high0 Ų046.5 Ų46.50%021%0.207CC..Hα-helixtrans-63.4-45.6176.3-560000111.1E284 L285 T288 Y409 L481 S482 F483 G487 R488 L489E284-T485 HydrophobicContact CB-CG2 3.86Å; L285-T485 HydrophobicContact CD2-CG2 4.35Å; T288-T485 WeakPolarHBondContact CB-OG1 3.31Å; T288-T485 WeakPolarHBondContact CG2-OG1 3.36Å; T288-T485 WeakPolarHBondContact OG1-CB 3.19Å; T288-T485 WeakPolarHBondContact OG1-CG2 3.5Å; T288-T485 PolarHBondContact OG1-OG1 3.43Å; Y409-T485 HydrophobicContact CD1-CG2 4.38Å; Y409-T485 HydrophobicContact CE1-CG2 3.51Å; L481-T485 WeakPolarHBondContact O-CB 3.27Å; L481-T485 PolarHBondContact O-N 3.34Å; L481-T485 PolarHBondContact O-OG1 2.02Å; S482-T485 PolarHBondContact O-N 3.47Å; F483-T485 VanDerWaalsContact C-N 3.31Å; F483-T485 PolarHBondContact O-N 3.11Å; T485-G487 PolarHBondContact O-N 2.91Å; T485-R488 PolarHBondContact O-N 3.31Å; T485-L489 HydrophobicContact CG2-CD1 4.19Å; T485-L489 WeakPolarHBondContact O-CG 3.34Å; T485-L489 PolarHBondContact O-N 2.94Å
486Y98.1Very high95.2Very high5 Ų554 Ų542%0.0224%0.242CC..Hα-helixtrans-58.4-47.4176.1174.1-133.6000111.7M405 S406 Y409 S482 F483 R488 L489 C490 H496 L497 D498 F502M405-Y486 HydrophobicContact CB-CD2 3.95Å; M405-Y486 HydrophobicContact CB-CE2 3.56Å; S406-Y486 VanDerWaalsContact OG-CZ 3.25Å; S406-Y486 PolarHBondContact OG-OH 3.26Å; Y409-Y486 HydrophobicContact CD2-CD2 4.39Å; Y409-Y486 HydrophobicContact CG-CG 4.46Å; S482-Y486 WeakPolarHBondContact O-CB 3.08Å; S482-Y486 PolarHBondContact O-N 3.31Å; F483-Y486 WeakPolarHBondContact O-CB 3.48Å; F483-Y486 PolarHBondContact O-N 3.11Å; Y486-R488 PolarHBondContact O-N 2.87Å; Y486-L489 PolarHBondContact O-N 3.25Å; Y486-C490 WeakPolarHBondContact CE2-SG 3.36Å; Y486-C490 VanDerWaalsContact CZ-SG 3.56Å; Y486-C490 PolarHBondContact O-N 2.67Å; Y486-H496 PolarHBondContact OH-O 3.32Å; Y486-L497 HydrophobicContact CD1-CD1 3.28Å; Y486-L497 HydrophobicContact CE1-CD1 3.14Å; Y486-L497 HydrophobicContact CE1-CG 4.21Å; Y486-L497 HydrophobicContact CG-CD1 4.02Å; Y486-D498 PolarHBondContact OH-N 3.47Å; Y486-F502 HydrophobicContact CD1-CD2 4.02Å; Y486-F502 HydrophobicContact CE1-CB 4.46Å
487G97.1Very high95.3Very high10 Ų1056.9 Ų56.910%0.10326%0.257CS..Hα-helixtrans-59.4-45.4175.300000113.4F483 T484 T485 L489 C490 M491F483-G487 PolarHBondContact O-N 2.91Å; T484-G487 PolarHBondContact O-N 3.2Å; T485-G487 PolarHBondContact O-N 2.91Å; G487-L489 VanDerWaalsContact C-N 3.31Å; G487-L489 PolarHBondContact O-N 2.87Å; G487-C490 PolarHBondContact O-N 2.68Å; G487-M491 WeakPolarHBondContact O-CG 3.37Å; G487-M491 PolarHBondContact O-N 2.91Å
488R96.5Very high95.5Very high46 Ų4658.9 Ų58.917%0.17427%0.268CS..Hα-helixtrans-57.3-44.5175-173.1-173.871.5-158.3-9.4111.8E284 T288 T484 T485 Y486 M491 R492E284-R488 PolarHBondContact O-NH2 3.07Å; E284-R488 IonicContact OE2-CZ 3.58Å; E284-R488 IonicContact OE2-NE 2.91Å; E284-R488 IonicContact OE2-NH2 2.66Å; E284-R488 PolarHBondContact OE2-NH2 3.28Å; T288-R488 PolarHBondContact OG1-NH1 3.26Å; T288-R488 PolarHBondContact OG1-NH2 3.05Å; T484-R488 WeakPolarHBondContact O-CB 3.38Å; T484-R488 PolarHBondContact O-N 3.23Å; T485-R488 PolarHBondContact O-N 3.31Å; Y486-R488 PolarHBondContact O-N 2.87Å; R488-M491 PolarHBondContact O-N 2.85Å; R488-R492 WeakPolarHBondContact O-CB 3.17Å; R488-R492 PolarHBondContact O-N 3.35Å
489L96.9Very high95.6Very high11 Ų1159.1 Ų59.16%0.05827%0.271CS..Hα-helixtrans-69.5-37.9179.8-71.5175.3000112.8E284 M405 Y409 T485 Y486 G487 R492 N493E284-L489 HydrophobicContact CB-CD1 4.21Å; E284-L489 HydrophobicContact CG-CD1 4.17Å; E284-L489 HydrophobicContact CG-CD2 4.2Å; E284-L489 WeakPolarHBondContact OE2-CD2 3.42Å; M405-L489 HydrophobicContact CE-CB 4.31Å; M405-L489 HydrophobicContact CE-CD1 3.78Å; Y409-L489 HydrophobicContact CE1-CD1 4.31Å; Y409-L489 HydrophobicContact CE2-CD1 4.01Å; Y409-L489 WeakPolarHBondContact OH-CD1 3.47Å; T485-L489 HydrophobicContact CG2-CD1 4.19Å; T485-L489 WeakPolarHBondContact O-CG 3.34Å; T485-L489 PolarHBondContact O-N 2.94Å; Y486-L489 PolarHBondContact O-N 3.25Å; G487-L489 VanDerWaalsContact C-N 3.31Å; G487-L489 PolarHBondContact O-N 2.87Å; L489-R492 PolarHBondContact O-N 3.25Å; L489-N493 VanDerWaalsContact O-CB 3.31Å; L489-N493 WeakPolarHBondContact O-CB 3.43Å; L489-N493 PolarHBondContact O-N 3.46Å; L489-N493 PolarHBondContact O-ND2 3.18Å; L489-N493 VanDerWaalsContact O-ND2 3.16Å
490C96.2Very high95.6Very high6 Ų664.6 Ų64.64%0.04130%0.296CS..Hα-helixtrans-61.4-46172.5-810000111.5Y486 G487 N493 R494 K495 L497Y486-C490 WeakPolarHBondContact CE2-SG 3.36Å; Y486-C490 VanDerWaalsContact CZ-SG 3.56Å; Y486-C490 PolarHBondContact O-N 2.67Å; G487-C490 PolarHBondContact O-N 2.68Å; C490-N493 CarbonylContact O-C 3.54Å; C490-N493 PolarHBondContact O-N 3.44Å; C490-R494 WeakPolarHBondContact O-CA 3.45Å; C490-R494 PolarHBondContact O-N 2.92Å; C490-K495 WeakPolarHBondContact CB-O 3.3Å; C490-K495 PolarHBondContact O-N 3.37Å; C490-L497 HydrophobicContact CB-CB 4.32Å
491M94.2Very high95.7Very high148 Ų14865.7 Ų65.773%0.72930%0.302SS*.Hα-helixtrans-60.2-48.3175.4-71.8-171.9-72.400111.7G487 R488 N493 R494G487-M491 WeakPolarHBondContact O-CG 3.37Å; G487-M491 PolarHBondContact O-N 2.91Å; R488-M491 PolarHBondContact O-N 2.85Å; M491-N493 VanDerWaalsContact C-N 3.28Å; M491-N493 PolarHBondContact O-N 2.89Å; M491-R494 PolarHBondContact O-N 3.42Å
492R93.1Very high95.8Very high177 Ų17765.5 Ų65.567%0.66830%0.301SS*.Hα-helixtrans-58.2-39.9178.4-178.1178175.7-177.3-1.5112.4E284 R488 L489E284-R492 IonicContact OE1-NH1 3.63Å; R488-R492 WeakPolarHBondContact O-CB 3.17Å; R488-R492 PolarHBondContact O-N 3.35Å; L489-R492 PolarHBondContact O-N 3.25Å
493N92.1Very high95.8Very high84 Ų8465.5 Ų65.545%0.44930%0.301SS..THydrogen-bonded Turntrans-95.95.6-175.8-64.7-35.6000113.9L489 C490 M491 K495L489-N493 VanDerWaalsContact O-CB 3.31Å; L489-N493 WeakPolarHBondContact O-CB 3.43Å; L489-N493 PolarHBondContact O-N 3.46Å; L489-N493 PolarHBondContact O-ND2 3.18Å; L489-N493 VanDerWaalsContact O-ND2 3.16Å; C490-N493 CarbonylContact O-C 3.54Å; C490-N493 PolarHBondContact O-N 3.44Å; M491-N493 VanDerWaalsContact C-N 3.28Å; M491-N493 PolarHBondContact O-N 2.89Å; N493-K495 HydrophobicContact CB-CD 4.24Å; N493-K495 HydrophobicContact CB-CG 4.14Å; N493-K495 PolarHBondContact O-N 2.89Å
494R91.3Very high95.7Very high242 Ų24266.4 Ų66.491%0.91331%0.309SS*.THydrogen-bonded Turntrans5138.9-174.6-56.3-179.2-178169.10.1113.2C490 M491C490-R494 WeakPolarHBondContact O-CA 3.45Å; C490-R494 PolarHBondContact O-N 2.92Å; M491-R494 PolarHBondContact O-N 3.42Å
495K92.1Very high95.5Very high133 Ų13364.7 Ų64.758%0.57830%0.299SS*.  trans-100.2152.8176.7-69.9-177.2176.7-179.80110.4C490 N493C490-K495 WeakPolarHBondContact CB-O 3.3Å; C490-K495 PolarHBondContact O-N 3.37Å; N493-K495 HydrophobicContact CB-CD 4.24Å; N493-K495 HydrophobicContact CB-CG 4.14Å; N493-K495 PolarHBondContact O-N 2.89Å
496H92.3Very high95.3Very high158 Ų15864.7 Ų64.773%0.73130%0.299SS*.  trans-67.2134.2172.6-179.266.9000110.6Y486 D498Y486-H496 PolarHBondContact OH-O 3.32Å; H496-D498 PolarHBondContact O-N 2.88Å
497L94.3Very high95Very high64 Ų6466.4 Ų66.434%0.33531%0.31SS..  trans-85.3102.9172174.673.6000108.5F483 Y486 C490 G499F483-L497 HydrophobicContact CE1-CD2 4.31Å; F483-L497 HydrophobicContact CE2-CD1 4.39Å; F483-L497 HydrophobicContact CZ-CD1 4.33Å; F483-L497 HydrophobicContact CZ-CD2 3.88Å; F483-L497 HydrophobicContact CZ-CG 4.39Å; Y486-L497 HydrophobicContact CD1-CD1 3.28Å; Y486-L497 HydrophobicContact CE1-CD1 3.14Å; Y486-L497 HydrophobicContact CE1-CG 4.21Å; Y486-L497 HydrophobicContact CG-CD1 4.02Å; C490-L497 HydrophobicContact CB-CB 4.32Å; L497-G499 PolarHBondContact O-N 2.94Å
498D96.5Very high94.7Very high53 Ų5373 Ų7328%0.28334%0.336SS..  trans-90.586.4175.4-175.6-12.5000109.6Y486 H496 E500 L501 F502Y486-D498 PolarHBondContact OH-N 3.47Å; H496-D498 PolarHBondContact O-N 2.88Å; D498-E500 PolarHBondContact OD1-N 3.27Å; D498-L501 HydrophobicContact CB-CB 4.34Å; D498-L501 VanDerWaalsContact OD1-CB 3.29Å; D498-L501 WeakPolarHBondContact OD1-CB 3.34Å; D498-L501 PolarHBondContact OD1-N 2.97Å; D498-L501 VanDerWaalsContact OD2-CB 3.29Å; D498-L501 WeakPolarHBondContact OD2-CB 3.22Å; D498-F502 PolarHBondContact O-N 3.29Å
499G97.1Very high94.3Very high6 Ų671.7 Ų71.76%0.06233%0.332CS..Hα-helixtrans-71.6-31.6179.800000113.5L497 F502 F503L497-G499 PolarHBondContact O-N 2.94Å; G499-F502 PolarHBondContact O-N 2.85Å; G499-F503 WeakPolarHBondContact O-CD2 3.32Å; G499-F503 PolarHBondContact O-N 3.1Å
500E97.1Very high93.7Very high118 Ų11872 Ų7255%0.55133%0.333SS*.Hα-helixtrans-63.7-46.4178.8-68-172.9162.100110.4D498 S504 V547 Y548D498-E500 PolarHBondContact OD1-N 3.27Å; E500-S504 WeakPolarHBondContact O-CB 2.88Å; E500-S504 PolarHBondContact O-N 3.4Å; E500-S504 PolarHBondContact O-OG 2.7Å; E500-V547 HydrophobicContact CB-CG1 4.42Å; E500-V547 HydrophobicContact CG-CG1 3.7Å; E500-Y548 PolarHBondContact O-OH 3.03Å
501L97.5Very high93Very high50 Ų5076.1 Ų76.126%0.26236%0.361SS..Hα-helixtrans-65.1-40.3176.1-175.258.1000112.1S404 E407 D498 S504 T505S404-L501 WeakPolarHBondContact OG-CD2 3.4Å; E407-L501 HydrophobicContact CG-CD1 4.16Å; E407-L501 HydrophobicContact CG-CD2 4.1Å; E407-L501 HydrophobicContact CG-CG 4.02Å; D498-L501 HydrophobicContact CB-CB 4.34Å; D498-L501 VanDerWaalsContact OD1-CB 3.29Å; D498-L501 WeakPolarHBondContact OD1-CB 3.34Å; D498-L501 PolarHBondContact OD1-N 2.97Å; D498-L501 VanDerWaalsContact OD2-CB 3.29Å; D498-L501 WeakPolarHBondContact OD2-CB 3.22Å; L501-S504 WeakPolarHBondContact CA-OG 3.48Å; L501-S504 PolarHBondContact O-OG 3.08Å; L501-S504 VanDerWaalsContact O-OG 3.12Å; L501-T505 VanDerWaalsContact O-CB 3.24Å; L501-T505 WeakPolarHBondContact O-CB 3.17Å; L501-T505 PolarHBondContact O-N 3.11Å; L501-T505 PolarHBondContact O-OG1 3.13Å
502F98.1Very high92Very high0 Ų071.6 Ų71.60%035%0.347CS..Hα-helixtrans-56.5-55.4175.7173.2-83.4000111.5Y409 L479 F483 Y486 D498 G499 T505 F506Y409-F502 VanDerWaalsContact C-CE2 3.4Å; Y409-F502 WeakPolarHBondContact O-CE2 3.16Å; L479-F502 HydrophobicContact CD1-CE1 3.67Å; L479-F502 HydrophobicContact CD1-CZ 3.76Å; L479-F502 HydrophobicContact CG-CE1 4.36Å; F483-F502 HydrophobicContact CB-CE1 3.85Å; F483-F502 HydrophobicContact CB-CE2 4.23Å; F483-F502 HydrophobicContact CB-CZ 3.67Å; F483-F502 HydrophobicContact CD2-CB 4.47Å; F483-F502 AromaticContact CD2-CD1 3.5Å; F483-F502 HydrophobicContact CD2-CD1 3.5Å; F483-F502 HydrophobicContact CD2-CD2 4.18Å; F483-F502 AromaticContact CD2-CE1 3.66Å; F483-F502 HydrophobicContact CD2-CE1 3.66Å; F483-F502 HydrophobicContact CD2-CE2 4.28Å; F483-F502 AromaticContact CD2-CG 3.8Å; F483-F502 HydrophobicContact CD2-CG 3.8Å; F483-F502 HydrophobicContact CD2-CZ 4.05Å; F483-F502 HydrophobicContact CE2-CD1 4.19Å; F483-F502 HydrophobicContact CE2-CG 4.36Å; F483-F502 HydrophobicContact CG-CD1 4.48Å; F483-F502 HydrophobicContact CG-CE1 4.22Å; F483-F502 HydrophobicContact CG-CZ 4.38Å; Y486-F502 HydrophobicContact CD1-CD2 4.02Å; Y486-F502 HydrophobicContact CE1-CB 4.46Å; D498-F502 PolarHBondContact O-N 3.29Å; G499-F502 PolarHBondContact O-N 2.85Å; F502-T505 PolarHBondContact O-N 3.46Å; F502-F506 PolarHBondContact O-N 3Å
503F97.4Very high90.6Very high1 Ų164.5 Ų64.50%0.00433%0.329CS..Hα-helixtrans-72.9-34.4-174.7-73.8-63000112.6L479 F483 G499 T507 L538 E543 F544 V547 Y548L479-F503 HydrophobicContact CD2-CE1 4.33Å; F483-F503 AromaticContact CD2-CE2 3.93Å; F483-F503 HydrophobicContact CD2-CE2 3.93Å; F483-F503 AromaticContact CD2-CZ 3.84Å; F483-F503 HydrophobicContact CD2-CZ 3.84Å; F483-F503 HydrophobicContact CE2-CD2 4.44Å; F483-F503 AromaticContact CE2-CE2 3.66Å; F483-F503 HydrophobicContact CE2-CE2 3.66Å; F483-F503 HydrophobicContact CE2-CZ 4.03Å; F483-F503 HydrophobicContact CG-CZ 4.19Å; F483-F503 HydrophobicContact CZ-CE2 4.18Å; G499-F503 WeakPolarHBondContact O-CD2 3.32Å; G499-F503 PolarHBondContact O-N 3.1Å; F503-T507 VanDerWaalsContact O-CB 3.32Å; F503-T507 WeakPolarHBondContact O-CB 3.4Å; F503-T507 PolarHBondContact O-N 3.42Å; F503-T507 PolarHBondContact O-OG1 3.32Å; F503-L538 HydrophobicContact CD1-CD2 3.78Å; F503-L538 HydrophobicContact CE1-CD2 4.14Å; F503-E543 HydrophobicContact CE2-CB 4.5Å; F503-E543 HydrophobicContact CZ-CB 4.12Å; F503-F544 HydrophobicContact CB-CD2 4.03Å; F503-F544 HydrophobicContact CB-CE2 4.4Å; F503-F544 HydrophobicContact CD1-CB 4.28Å; F503-F544 AromaticContact CD1-CD2 3.94Å; F503-F544 HydrophobicContact CD1-CD2 3.94Å; F503-F544 HydrophobicContact CD2-CB 4.42Å; F503-F544 HydrophobicContact CD2-CD2 4.04Å; F503-F544 HydrophobicContact CE1-CB 3.91Å; F503-F544 HydrophobicContact CE1-CD2 4.42Å; F503-F544 HydrophobicContact CE2-CB 4.07Å; F503-F544 AromaticContact CG-CD2 3.74Å; F503-F544 HydrophobicContact CG-CD2 3.74Å; F503-F544 HydrophobicContact CZ-CB 3.81Å; F503-V547 HydrophobicContact CD2-CB 4.34Å; F503-V547 HydrophobicContact CD2-CG1 4.32Å; F503-V547 HydrophobicContact CD2-CG2 4.32Å; F503-V547 HydrophobicContact CE2-CB 4.33Å; F503-V547 HydrophobicContact CE2-CG2 3.98Å; F503-Y548 HydrophobicContact CB-CE2 3.9Å; F503-Y548 HydrophobicContact CD2-CE2 4.22Å; F503-Y548 HydrophobicContact CG-CE2 4.41Å
504S95.6Very high89.1Confident35 Ų3565.8 Ų65.825%0.24533%0.329CS..Hα-helixtrans-67.4-37.7175.863.40000111.7E500 L501 T507 K508E500-S504 WeakPolarHBondContact O-CB 2.88Å; E500-S504 PolarHBondContact O-N 3.4Å; E500-S504 PolarHBondContact O-OG 2.7Å; L501-S504 WeakPolarHBondContact CA-OG 3.48Å; L501-S504 PolarHBondContact O-OG 3.08Å; L501-S504 VanDerWaalsContact O-OG 3.12Å; S504-T507 PolarHBondContact O-N 3.16Å; S504-K508 WeakPolarHBondContact O-CG 3.4Å; S504-K508 PolarHBondContact O-N 3.46Å
505T94.3Very high87.5Confident12 Ų1255.2 Ų55.27%0.07429%0.289CS..Hα-helixtrans-66.9-48175.9-56.30000111.4E407 I411 L501 F502 T507 K508 M509E407-T505 HydrophobicContact CB-CG2 4.18Å; E407-T505 HydrophobicContact CG-CG2 4.14Å; I411-T505 HydrophobicContact CD1-CG2 3.52Å; I411-T505 HydrophobicContact CG1-CG2 3.44Å; I411-T505 VanDerWaalsContact CG1-CG2 3.44Å; L501-T505 VanDerWaalsContact O-CB 3.24Å; L501-T505 WeakPolarHBondContact O-CB 3.17Å; L501-T505 PolarHBondContact O-N 3.11Å; L501-T505 PolarHBondContact O-OG1 3.13Å; F502-T505 PolarHBondContact O-N 3.46Å; T505-T507 VanDerWaalsContact C-N 3.3Å; T505-T507 PolarHBondContact O-N 2.91Å; T505-K508 PolarHBondContact O-N 3.22Å; T505-M509 PolarHBondContact O-N 3.5Å; T505-M509 VanDerWaalsContact O-N 3.15Å
506F93.8Very high85.4Confident0 Ų051.7 Ų51.70%028%0.277CS..Hα-helixtrans-52.1-49.2172162.8-107.1000111.7G410 W414 L479 F502 K508 M509 M510 V534 L537 L538G410-F506 WeakPolarHBondContact O-CA 3.35Å; G410-F506 WeakPolarHBondContact O-CB 3.34Å; W414-F506 AromaticContact CD2-CD2 3.69Å; W414-F506 HydrophobicContact CD2-CD2 3.69Å; W414-F506 AromaticContact CD2-CE2 3.53Å; W414-F506 HydrophobicContact CD2-CE2 3.53Å; W414-F506 AromaticContact CE2-CE2 3.47Å; W414-F506 VanDerWaalsContact CE2-CE2 3.47Å; W414-F506 AromaticContact CE3-CD2 3.79Å; W414-F506 HydrophobicContact CE3-CD2 3.79Å; W414-F506 AromaticContact CE3-CE2 3.86Å; W414-F506 HydrophobicContact CE3-CE2 3.86Å; W414-F506 AromaticContact CG-CD2 4Å; W414-F506 HydrophobicContact CG-CD2 4Å; W414-F506 HydrophobicContact CG-CE2 4.02Å; W414-F506 HydrophobicContact CH2-CE2 4.06Å; W414-F506 AromaticContact CZ2-CE2 3.76Å; W414-F506 HydrophobicContact CZ2-CE2 3.76Å; W414-F506 HydrophobicContact CZ3-CD2 4.3Å; W414-F506 HydrophobicContact CZ3-CE2 4.11Å; W414-F506 AromaticContact NE1-CE2 3.85Å; L479-F506 HydrophobicContact CD1-CB 4.29Å; L479-F506 HydrophobicContact CD1-CD1 4.11Å; L479-F506 HydrophobicContact CD1-CD2 3.68Å; L479-F506 HydrophobicContact CD1-CE1 4.4Å; L479-F506 HydrophobicContact CD1-CE2 4.03Å; L479-F506 HydrophobicContact CD1-CG 3.73Å; L479-F506 HydrophobicContact CD1-CZ 4.36Å; L479-F506 HydrophobicContact CD2-CD1 3.97Å; L479-F506 HydrophobicContact CD2-CE1 3.65Å; L479-F506 HydrophobicContact CD2-CE2 4.31Å; L479-F506 HydrophobicContact CD2-CG 4.42Å; L479-F506 HydrophobicContact CD2-CZ 3.83Å; F502-F506 PolarHBondContact O-N 3Å; F506-K508 PolarHBondContact O-N 2.94Å; F506-M509 PolarHBondContact O-N 3.34Å; F506-M510 HydrophobicContact CE1-SD 4.22Å; F506-M510 HydrophobicContact CE2-SD 4.11Å; F506-M510 HydrophobicContact CZ-SD 3.54Å; F506-M510 VanDerWaalsContact CZ-SD 3.54Å; F506-M510 PolarHBondContact O-N 2.87Å; F506-V534 HydrophobicContact CE1-CG1 3.99Å; F506-L537 HydrophobicContact CZ-CD2 3.83Å; F506-L538 HydrophobicContact CD1-CD2 4.05Å; F506-L538 HydrophobicContact CE1-CD2 3.79Å; F506-L538 HydrophobicContact CE1-CG 4.11Å
507T92.5Very high83.2Confident41 Ų4152 Ų5225%0.25228%0.278SS..Hα-helixtrans-60.6-45.5-178.9-62.60000112F503 S504 T505 M509 M510 C511 V534F503-T507 VanDerWaalsContact O-CB 3.32Å; F503-T507 WeakPolarHBondContact O-CB 3.4Å; F503-T507 PolarHBondContact O-N 3.42Å; F503-T507 PolarHBondContact O-OG1 3.32Å; S504-T507 PolarHBondContact O-N 3.16Å; T505-T507 VanDerWaalsContact C-N 3.3Å; T505-T507 PolarHBondContact O-N 2.91Å; T507-M509 VanDerWaalsContact C-N 3.33Å; T507-M509 PolarHBondContact O-N 3.45Å; T507-M510 PolarHBondContact O-N 2.65Å; T507-C511 WeakPolarHBondContact O-CB 3.27Å; T507-C511 PolarHBondContact O-N 3.28Å; T507-C511 PolarHBondContact O-SG 3.12Å; T507-V534 HydrophobicContact CG2-CG1 4Å; T507-V534 HydrophobicContact CG2-CG2 4.33Å
508K90.1Very high81.2Confident147 Ų14749.7 Ų49.764%0.63927%0.267SS*.Hα-helixtrans-57.6-45.9177.3-75.2171-176.2173.30111.6S504 T505 F506 M510 A512S504-K508 WeakPolarHBondContact O-CG 3.4Å; S504-K508 PolarHBondContact O-N 3.46Å; T505-K508 PolarHBondContact O-N 3.22Å; F506-K508 PolarHBondContact O-N 2.94Å; K508-M510 PolarHBondContact O-N 3.26Å; K508-A512 PolarHBondContact O-N 2.77Å
509M87.4Confident78.9Confident19 Ų1949.5 Ų49.59%0.09427%0.266CS..Hα-helixtrans-64.2-40.3-179.7-71.2-51.2-56.300112.7P397 Y398 I411 T505 F506 T507 Y514P397-M509 HydrophobicContact CG-CE 4.41Å; Y398-M509 HydrophobicContact CD1-CE 3.24Å; Y398-M509 HydrophobicContact CE1-CE 3.27Å; Y398-M509 HydrophobicContact CG-CE 4.15Å; I411-M509 HydrophobicContact CB-CG 4.38Å; I411-M509 HydrophobicContact CD1-CG 3.74Å; I411-M509 HydrophobicContact CD1-SD 4.05Å; I411-M509 HydrophobicContact CG1-CG 3.64Å; I411-M509 HydrophobicContact CG2-CE 4.46Å; I411-M509 HydrophobicContact CG2-CG 4Å; T505-M509 PolarHBondContact O-N 3.5Å; T505-M509 VanDerWaalsContact O-N 3.15Å; F506-M509 PolarHBondContact O-N 3.34Å; T507-M509 VanDerWaalsContact C-N 3.33Å; T507-M509 PolarHBondContact O-N 3.45Å; M509-Y514 HydrophobicContact CE-CD2 4.1Å
510M84.2Confident76.2Confident18 Ų1853.2 Ų53.29%0.08928%0.281CS..Hα-helixtrans-74.1-39-179.3-171.7176.6-177.300112.6F506 T507 K508 A512 G513 Y530 V534 L537F506-M510 HydrophobicContact CE1-SD 4.22Å; F506-M510 HydrophobicContact CE2-SD 4.11Å; F506-M510 HydrophobicContact CZ-SD 3.54Å; F506-M510 VanDerWaalsContact CZ-SD 3.54Å; F506-M510 PolarHBondContact O-N 2.87Å; T507-M510 PolarHBondContact O-N 2.65Å; K508-M510 PolarHBondContact O-N 3.26Å; M510-A512 VanDerWaalsContact C-N 3.34Å; M510-A512 PolarHBondContact O-N 3.39Å; M510-G513 PolarHBondContact O-N 3.23Å; M510-Y530 HydrophobicContact CE-CD1 4.32Å; M510-Y530 HydrophobicContact CE-CE1 3.23Å; M510-Y530 VanDerWaalsContact CE-OH 3.26Å; M510-Y530 WeakPolarHBondContact CE-OH 3.46Å; M510-V534 HydrophobicContact CB-CG2 3.84Å; M510-V534 HydrophobicContact CG-CG2 3.72Å; M510-V534 HydrophobicContact SD-CB 4.04Å; M510-V534 HydrophobicContact SD-CG1 4.34Å; M510-V534 HydrophobicContact SD-CG2 3.6Å; M510-V534 VanDerWaalsContact SD-CG2 3.6Å; M510-L537 HydrophobicContact CE-CD1 3.71Å; M510-L537 HydrophobicContact CE-CD2 3.65Å; M510-L537 HydrophobicContact CE-CG 4.35Å; M510-L537 HydrophobicContact SD-CD2 3.83Å
511C81.2Confident73.4Confident92 Ų9253 Ų5362%0.62228%0.284SS*.Hα-helixtrans-66.5-31.8178.2-80.70000113.8T507 G513T507-C511 WeakPolarHBondContact O-CB 3.27Å; T507-C511 PolarHBondContact O-N 3.28Å; T507-C511 PolarHBondContact O-SG 3.12Å; C511-G513 PolarHBondContact O-N 2.83Å; C511-G513 VanDerWaalsContact O-N 3.07Å
512A73.5Confident70.3Confident54 Ų5455.1 Ų55.145%0.44629%0.291SS..THydrogen-bonded Turntrans-74.87-177.400000113.9K508 M510 Y514K508-A512 PolarHBondContact O-N 2.77Å; M510-A512 VanDerWaalsContact C-N 3.34Å; M510-A512 PolarHBondContact O-N 3.39Å; A512-Y514 HydrophobicContact CB-CD2 3.28Å; A512-Y514 HydrophobicContact CB-CE2 3.17Å; A512-Y514 HydrophobicContact CB-CG 4.29Å; A512-Y514 PolarHBondContact O-N 2.84Å
513G65.3Low67.2Low28 Ų2863.6 Ų63.629%0.28933%0.328SS..THydrogen-bonded Turntrans71.9-0.5173.400000114.3M510 C511 F515 N516M510-G513 PolarHBondContact O-N 3.23Å; C511-G513 PolarHBondContact O-N 2.83Å; C511-G513 VanDerWaalsContact O-N 3.07Å; G513-F515 PolarHBondContact O-N 3.19Å; G513-N516 WeakPolarHBondContact O-CB 3.37Å; G513-N516 PolarHBondContact O-N 3.06Å
514Y60Low64Low110 Ų11071 Ų7143%0.43136%0.36SS..THydrogen-bonded Turntrans-58.3-12.5-175.7-71.8-55.4000114.9M509 A512 T518M509-Y514 HydrophobicContact CE-CD2 4.1Å; A512-Y514 HydrophobicContact CB-CD2 3.28Å; A512-Y514 HydrophobicContact CB-CE2 3.17Å; A512-Y514 HydrophobicContact CB-CG 4.29Å; A512-Y514 PolarHBondContact O-N 2.84Å; Y514-T518 PolarHBondContact O-OG1 3.33Å
515F56.7Low60.8Low20 Ų2072.6 Ų72.69%0.08837%0.372CS..THydrogen-bonded Turntrans-91.3-22178.1-154.6-95.3000114W414 R418 G513 T518 I519 Y530W414-F515 AromaticContact CH2-CD2 3.78Å; W414-F515 HydrophobicContact CH2-CD2 3.78Å; W414-F515 AromaticContact CH2-CE2 3.81Å; W414-F515 HydrophobicContact CH2-CE2 3.81Å; W414-F515 HydrophobicContact CH2-CG 4.43Å; W414-F515 HydrophobicContact CH2-CZ 4.48Å; W414-F515 HydrophobicContact CZ2-CE2 4.27Å; W414-F515 HydrophobicContact CZ3-CD2 4.28Å; W414-F515 HydrophobicContact CZ3-CE2 4.39Å; R418-F515 VanDerWaalsContact CZ-CZ 3.49Å; G513-F515 PolarHBondContact O-N 3.19Å; F515-T518 WeakPolarHBondContact CA-OG1 3.25Å; F515-I519 HydrophobicContact CD1-CD1 4.22Å; F515-I519 HydrophobicContact CD1-CG1 4.36Å; F515-I519 HydrophobicContact CE1-CD1 3.32Å; F515-I519 HydrophobicContact CE1-CG1 3.9Å; F515-I519 HydrophobicContact CE2-CD1 3.74Å; F515-I519 HydrophobicContact CE2-CG1 4.35Å; F515-I519 HydrophobicContact CZ-CD1 3.04Å; F515-I519 HydrophobicContact CZ-CG1 3.93Å; F515-Y530 AromaticContact CD1-CD2 3.56Å; F515-Y530 HydrophobicContact CD1-CD2 3.56Å; F515-Y530 AromaticContact CD1-CE2 3.66Å; F515-Y530 HydrophobicContact CD1-CE2 3.66Å; F515-Y530 HydrophobicContact CD1-CG 4.45Å; F515-Y530 AromaticContact CE1-CD2 3.9Å; F515-Y530 HydrophobicContact CE1-CD2 3.9Å; F515-Y530 AromaticContact CE1-CE2 3.67Å; F515-Y530 HydrophobicContact CE1-CE2 3.67Å
516N48.8Very low57.7Low59 Ų5977.4 Ų77.432%0.31641%0.406SS..THydrogen-bonded Turntrans-70.3-29.7-178.2-89.2-45.3000113.3G513 Y530G513-N516 WeakPolarHBondContact O-CB 3.37Å; G513-N516 PolarHBondContact O-N 3.06Å; N516-Y530 VanDerWaalsContact OD1-CA 3.31Å; N516-Y530 WeakPolarHBondContact OD1-CA 3.48Å; N516-Y530 WeakPolarHBondContact OD1-CB 3.12Å; N516-Y530 PolarHBondContact OD1-N 2.9Å
517E46.3Very low54.9Low164 Ų16486.1 Ų86.177%0.76644%0.444SS*.THydrogen-bonded Turntrans-95.1-14.4-174.6-66.1-178169.200113.1
518T51.5Low52.4Low16 Ų1688.9 Ų88.910%0.09846%0.456CS..THydrogen-bonded Turntrans-112-11.9-162.244.30000114.4P376 Y514 F515P376-T518 HydrophobicContact CB-CG2 4Å; P376-T518 WeakPolarHBondContact O-CB 3.47Å; P376-T518 WeakPolarHBondContact O-CG2 3.49Å; Y514-T518 PolarHBondContact O-OG1 3.33Å; F515-T518 WeakPolarHBondContact CA-OG1 3.25Å
519I47.6Very low50.4Low50 Ų5090.1 Ų90.126%0.25646%0.462SS..  trans-105.459.1167.3-51.2-155.8000110.3F515F515-I519 HydrophobicContact CD1-CD1 4.22Å; F515-I519 HydrophobicContact CD1-CG1 4.36Å; F515-I519 HydrophobicContact CE1-CD1 3.32Å; F515-I519 HydrophobicContact CE1-CG1 3.9Å; F515-I519 HydrophobicContact CE2-CD1 3.74Å; F515-I519 HydrophobicContact CE2-CG1 4.35Å; F515-I519 HydrophobicContact CZ-CD1 3.04Å; F515-I519 HydrophobicContact CZ-CG1 3.93Å
520H42.1Very low49.1Very low84 Ų8491.2 Ų91.239%0.38947%0.465SS..  trans-103.4101.9164.3-85.6-37.8000110.3K522H520-K522 PolarHBondContact O-N 3.33Å
521N38.1Very low48.2Very low112 Ų11292 Ų9260%0.59947%0.473SS*.  trans-55.2130.5157.7-75.9-26.6000108.3F523N521-F523 PolarHBondContact O-N 3.03Å
522K32.7Very low48.1Very low96 Ų9688.2 Ų88.242%0.41745%0.446SS..SBendtrans-53.38.4167-100-164-159.8-1660116.2E368 E370 H520E368-K522 PolarHBondContact O-NZ 3.34Å; E370-K522 VanDerWaalsContact CB-NZ 3.3Å; E370-K522 VanDerWaalsContact OE1-CE 3.29Å; E370-K522 WeakPolarHBondContact OE1-CE 3.41Å; E370-K522 IonicContact OE1-NZ 2.85Å; E370-K522 PolarHBondContact OE1-NZ 3.37Å; E370-K522 WeakPolarHBondContact OE2-CD 3.08Å; E370-K522 WeakPolarHBondContact OE2-CE 3.28Å; E370-K522 IonicContact OE2-NZ 3.44Å; E370-K522 PolarHBondContact OE2-NZ 3.33Å; H520-K522 PolarHBondContact O-N 3.33Å
523F31.5Very low48.6Very low178 Ų17888 Ų8878%0.78144%0.44SS*.SBendtrans-141.2117.1177.5-68.2-83.7000108.4N521N521-F523 PolarHBondContact O-N 3.03Å
524K29.8Very low49.7Very low155 Ų15587.2 Ų87.267%0.67443%0.43SS*.SBendtrans82.399.2175.5-59.9179171.7-178.50117.3E434E434-K524 IonicContact OE2-NZ 3.06Å; E434-K524 PolarHBondContact OE2-NZ 3.13Å
525S28.7Very low51.1Low70 Ų7085.4 Ų85.449%0.4943%0.428SS..  trans70.7112.1148.977.20000118.1K527S525-K527 PolarHBondContact O-N 3.07Å
526S30.8Very low52.6Low113 Ų11385.4 Ų85.479%0.7943%0.429SS*.THydrogen-bonded Turntrans-61.535.5158.1490000113.8
527K34.6Very low54.6Low183 Ų18382.7 Ų82.780%0.79642%0.415SS*.THydrogen-bonded Turntrans-131.3-3.4-172.4-81.2-171.7177.8179.70116.3S525 K529S525-K527 PolarHBondContact O-N 3.07Å; K527-K529 PolarHBondContact O-N 3.45Å
528L38.9Very low56.9Low98 Ų9875.1 Ų75.151%0.51338%0.379SS..  trans-7975.7171.3-82.3161.5000110.2N468 Y530N468-L528 WeakPolarHBondContact OD1-CD2 3.44Å; L528-Y530 PolarHBondContact O-N 3.25Å
529K49.8Very low58.8Low174 Ų17475.6 Ų75.676%0.75738%0.38SS*.  trans-61.5114.9162.6-167.6174.8-174.5175.80106.5K527 S531K527-K529 PolarHBondContact O-N 3.45Å; K529-S531 PolarHBondContact O-N 2.72Å
530Y59.7Low61Low41 Ų4173.2 Ų73.216%0.16137%0.368CS..  trans-48.8113.2174.6-168.2-87000108.1D475 M510 F515 N516 L528 F532D475-Y530 WeakPolarHBondContact OD2-CE2 3.47Å; D475-Y530 PolarHBondContact OD2-OH 2.93Å; M510-Y530 HydrophobicContact CE-CD1 4.32Å; M510-Y530 HydrophobicContact CE-CE1 3.23Å; M510-Y530 VanDerWaalsContact CE-OH 3.26Å; M510-Y530 WeakPolarHBondContact CE-OH 3.46Å; F515-Y530 AromaticContact CD1-CD2 3.56Å; F515-Y530 HydrophobicContact CD1-CD2 3.56Å; F515-Y530 AromaticContact CD1-CE2 3.66Å; F515-Y530 HydrophobicContact CD1-CE2 3.66Å; F515-Y530 HydrophobicContact CD1-CG 4.45Å; F515-Y530 AromaticContact CE1-CD2 3.9Å; F515-Y530 HydrophobicContact CE1-CD2 3.9Å; F515-Y530 AromaticContact CE1-CE2 3.67Å; F515-Y530 HydrophobicContact CE1-CE2 3.67Å; N516-Y530 VanDerWaalsContact OD1-CA 3.31Å; N516-Y530 WeakPolarHBondContact OD1-CA 3.48Å; N516-Y530 WeakPolarHBondContact OD1-CB 3.12Å; N516-Y530 PolarHBondContact OD1-N 2.9Å; L528-Y530 PolarHBondContact O-N 3.25Å; Y530-F532 HydrophobicContact CD1-CB 4.47Å; Y530-F532 VanDerWaalsContact CD1-O 3.23Å; Y530-F532 WeakPolarHBondContact CD1-O 3.43Å; Y530-F532 HydrophobicContact CE1-CB 3.86Å; Y530-F532 WeakPolarHBondContact CE1-O 3.31Å
531S65.7Low63.5Low36 Ų3669.3 Ų69.325%0.25235%0.35SS..  trans-101.22.2-160.454.40000113.2R462 F464 K529R462-S531 PolarHBondContact NH1-O 3.02Å; R462-S531 VanDerWaalsContact NH1-O 3.11Å; F464-S531 WeakPolarHBondContact CE1-OG 3.4Å; K529-S531 PolarHBondContact O-N 2.72Å
532F77.1Confident66.1Low12 Ų1267.8 Ų67.85%0.05334%0.339CS..  trans-109.2140-178.3-54.5-71.3000110.4F464 N468 L472 Y530 D536 L537F464-F532 AromaticContact CD1-CE1 3.89Å; F464-F532 HydrophobicContact CD1-CE1 3.89Å; F464-F532 AromaticContact CD1-CZ 3.79Å; F464-F532 HydrophobicContact CD1-CZ 3.79Å; F464-F532 AromaticContact CD2-CE1 3.79Å; F464-F532 HydrophobicContact CD2-CE1 3.79Å; F464-F532 HydrophobicContact CD2-CZ 4.27Å; F464-F532 HydrophobicContact CE1-CD1 4.26Å; F464-F532 AromaticContact CE1-CE1 3.6Å; F464-F532 HydrophobicContact CE1-CE1 3.6Å; F464-F532 AromaticContact CE1-CZ 3.85Å; F464-F532 HydrophobicContact CE1-CZ 3.85Å; F464-F532 HydrophobicContact CE2-CD1 4.17Å; F464-F532 AromaticContact CE2-CE1 3.45Å; F464-F532 HydrophobicContact CE2-CE1 3.45Å; F464-F532 VanDerWaalsContact CE2-CE1 3.45Å; F464-F532 HydrophobicContact CE2-CZ 4.29Å; F464-F532 AromaticContact CG-CE1 3.98Å; F464-F532 HydrophobicContact CG-CE1 3.98Å; F464-F532 HydrophobicContact CG-CZ 4Å; F464-F532 AromaticContact CZ-CD1 3.83Å; F464-F532 HydrophobicContact CZ-CD1 3.83Å; F464-F532 AromaticContact CZ-CE1 3.34Å; F464-F532 HydrophobicContact CZ-CE1 3.34Å; F464-F532 HydrophobicContact CZ-CZ 4.08Å; N468-F532 HydrophobicContact CB-CE2 3.94Å; N468-F532 HydrophobicContact CB-CZ 3.82Å; N468-F532 WeakPolarHBondContact O-CE2 3.35Å; N468-F532 WeakPolarHBondContact O-CZ 3.49Å; L472-F532 HydrophobicContact CB-CD1 4.4Å; L472-F532 HydrophobicContact CB-CD2 4.02Å; L472-F532 HydrophobicContact CB-CE1 4.16Å; L472-F532 HydrophobicContact CB-CE2 3.79Å; L472-F532 HydrophobicContact CB-CG 4.32Å; L472-F532 HydrophobicContact CB-CZ 3.84Å; L472-F532 HydrophobicContact CD1-CB 4.22Å; L472-F532 HydrophobicContact CD1-CD1 4.15Å; L472-F532 HydrophobicContact CD1-CD2 4.38Å; L472-F532 HydrophobicContact CD1-CG 3.98Å; L472-F532 HydrophobicContact CD2-CD1 3.78Å; L472-F532 HydrophobicContact CD2-CE1 3.64Å; L472-F532 HydrophobicContact CD2-CG 4.39Å; L472-F532 HydrophobicContact CD2-CZ 4.15Å; L472-F532 HydrophobicContact CG-CD1 4.33Å; L472-F532 HydrophobicContact CG-CE1 4.35Å; L472-F532 HydrophobicContact CG-CG 4.45Å; Y530-F532 HydrophobicContact CD1-CB 4.47Å; Y530-F532 VanDerWaalsContact CD1-O 3.23Å; Y530-F532 WeakPolarHBondContact CD1-O 3.43Å; Y530-F532 HydrophobicContact CE1-CB 3.86Å; Y530-F532 WeakPolarHBondContact CE1-O 3.31Å; F532-D536 HydrophobicContact CB-CB 4.16Å; F532-D536 HydrophobicContact CD1-CB 4.46Å; F532-L537 HydrophobicContact CB-CD1 4.08Å
533S84.5Confident69.1Low48 Ų4865.1 Ų65.134%0.33633%0.328SS..  trans-85.7161.8171.965.60000110.5N535 D536 L537S533-N535 PolarHBondContact O-N 3.04Å; S533-N535 VanDerWaalsContact O-N 3.13Å; S533-D536 WeakPolarHBondContact CB-OD2 2.98Å; S533-D536 PolarHBondContact N-OD2 2.8Å; S533-D536 WeakPolarHBondContact O-CB 3.43Å; S533-D536 PolarHBondContact O-N 3.03Å; S533-D536 VanDerWaalsContact OG-CG 3.29Å; S533-D536 PolarHBondContact OG-N 3.09Å; S533-D536 PolarHBondContact OG-OD2 3.24Å; S533-L537 WeakPolarHBondContact O-CD1 3.29Å
534V89.2Confident72.1Confident12 Ų1257.6 Ų57.67%0.07330%0.295CS..Hα-helixtrans-49.7-39.4170.7-177.80000111.5F506 T507 M510 D536 L537 L538F506-V534 HydrophobicContact CE1-CG1 3.99Å; T507-V534 HydrophobicContact CG2-CG1 4Å; T507-V534 HydrophobicContact CG2-CG2 4.33Å; M510-V534 HydrophobicContact CB-CG2 3.84Å; M510-V534 HydrophobicContact CG-CG2 3.72Å; M510-V534 HydrophobicContact SD-CB 4.04Å; M510-V534 HydrophobicContact SD-CG1 4.34Å; M510-V534 HydrophobicContact SD-CG2 3.6Å; M510-V534 VanDerWaalsContact SD-CG2 3.6Å; V534-D536 VanDerWaalsContact C-N 3.28Å; V534-D536 PolarHBondContact O-N 3.16Å; V534-L537 PolarHBondContact O-N 3.36Å; V534-L537 VanDerWaalsContact O-N 3.11Å; V534-L538 HydrophobicContact CG1-CD1 3.51Å; V534-L538 HydrophobicContact CG1-CG 3.92Å; V534-L538 PolarHBondContact O-N 2.79Å
535N90Very high75.3Confident72 Ų7250.3 Ų50.339%0.38526%0.264SS..Hα-helixtrans-65.7-30179.8-63.2-13.6000113.1S533 L537 K539 M556S533-N535 PolarHBondContact O-N 3.04Å; S533-N535 VanDerWaalsContact O-N 3.13Å; N535-L537 PolarHBondContact O-N 2.81Å; N535-K539 WeakPolarHBondContact O-CB 3.03Å; N535-K539 WeakPolarHBondContact O-CD 3.44Å; N535-K539 WeakPolarHBondContact O-CG 3.5Å; N535-K539 PolarHBondContact O-N 3.49Å; N535-M556 HydrophobicContact CB-CE 4.24Å; N535-M556 HydrophobicContact CB-SD 3.86Å
536D87.7Confident78.5Confident21 Ų2151.7 Ų51.711%0.11227%0.266CS..Hα-helixtrans-66.5-21176.7-66.5-49.8000112.2F532 S533 V534 K539 H540F532-D536 HydrophobicContact CB-CB 4.16Å; F532-D536 HydrophobicContact CD1-CB 4.46Å; S533-D536 WeakPolarHBondContact CB-OD2 2.98Å; S533-D536 PolarHBondContact N-OD2 2.8Å; S533-D536 WeakPolarHBondContact O-CB 3.43Å; S533-D536 PolarHBondContact O-N 3.03Å; S533-D536 VanDerWaalsContact OG-CG 3.29Å; S533-D536 PolarHBondContact OG-N 3.09Å; S533-D536 PolarHBondContact OG-OD2 3.24Å; V534-D536 VanDerWaalsContact C-N 3.28Å; V534-D536 PolarHBondContact O-N 3.16Å; D536-K539 WeakPolarHBondContact O-CE 3.48Å; D536-K539 IonicContact OD1-NZ 2.66Å; D536-K539 PolarHBondContact OD1-NZ 2.79Å; D536-H540 PolarHBondContact O-CD2 2.95Å; D536-H540 PolarHBondContact O-NE2 3.2Å
537L91.3Very high81.6Confident2 Ų248.1 Ų48.11%0.0124%0.239CC..Hα-helixtrans-94.4-54.9176.7-72.161.7000110.3L472 D475 I476 F506 M510 F532 S533 V534 N535 K539 H540L472-L537 HydrophobicContact CD1-CD1 3.38Å; L472-L537 HydrophobicContact CD1-CG 3.83Å; D475-L537 HydrophobicContact CB-CD2 3.57Å; D475-L537 HydrophobicContact CB-CG 4.13Å; I476-L537 HydrophobicContact CG1-CB 4.23Å; I476-L537 HydrophobicContact CG1-CG 4.19Å; F506-L537 HydrophobicContact CZ-CD2 3.83Å; M510-L537 HydrophobicContact CE-CD1 3.71Å; M510-L537 HydrophobicContact CE-CD2 3.65Å; M510-L537 HydrophobicContact CE-CG 4.35Å; M510-L537 HydrophobicContact SD-CD2 3.83Å; F532-L537 HydrophobicContact CB-CD1 4.08Å; S533-L537 WeakPolarHBondContact O-CD1 3.29Å; V534-L537 PolarHBondContact O-N 3.36Å; V534-L537 VanDerWaalsContact O-N 3.11Å; N535-L537 PolarHBondContact O-N 2.81Å; L537-K539 VanDerWaalsContact C-N 3.26Å; L537-K539 PolarHBondContact O-N 3.03Å; L537-H540 WeakPolarHBondContact O-CB 3.09Å; L537-H540 PolarHBondContact O-N 3.12Å
538L93.7Very high84.5Confident4 Ų443.8 Ų43.82%0.02122%0.218CC..Hα-helixtrans-62.3-29.5-171.5-69.5-178.6000113.5L479 F503 F506 V534 H540 S541 F544 M556L479-L538 HydrophobicContact CD2-CD2 3.79Å; F503-L538 HydrophobicContact CD1-CD2 3.78Å; F503-L538 HydrophobicContact CE1-CD2 4.14Å; F506-L538 HydrophobicContact CD1-CD2 4.05Å; F506-L538 HydrophobicContact CE1-CD2 3.79Å; F506-L538 HydrophobicContact CE1-CG 4.11Å; V534-L538 HydrophobicContact CG1-CD1 3.51Å; V534-L538 HydrophobicContact CG1-CG 3.92Å; V534-L538 PolarHBondContact O-N 2.79Å; L538-H540 PolarHBondContact O-N 2.91Å; L538-S541 PolarHBondContact O-N 2.94Å; L538-F544 HydrophobicContact CB-CD1 4.12Å; L538-F544 HydrophobicContact CB-CD2 4.39Å; L538-F544 HydrophobicContact CB-CE1 4.39Å; L538-F544 HydrophobicContact CB-CG 4.14Å; L538-F544 HydrophobicContact CD1-CD2 3.91Å; L538-F544 HydrophobicContact CD1-CE2 3.68Å; L538-F544 HydrophobicContact CD1-CG 4.48Å; L538-F544 HydrophobicContact CD1-CZ 4.08Å; L538-F544 HydrophobicContact CD2-CB 4.35Å; L538-F544 HydrophobicContact CD2-CD2 3.88Å; L538-F544 HydrophobicContact CD2-CE2 4.5Å; L538-F544 HydrophobicContact CD2-CG 4.11Å; L538-F544 HydrophobicContact CG-CD2 4.29Å; L538-F544 HydrophobicContact CG-CE2 4.5Å; L538-F544 HydrophobicContact CG-CG 4.48Å; L538-M556 HydrophobicContact CB-CE 3.58Å; L538-M556 HydrophobicContact CD1-CE 4.23Å
539K92.7Very high87.2Confident26 Ų2647.2 Ų47.211%0.11323%0.232CC..THydrogen-bonded Turntrans-57.4-23.3175.971.9-171-179.1-165.80113.4N459 N535 D536 L537 M556 K561N459-K539 PolarHBondContact OD1-NZ 2.87Å; N535-K539 WeakPolarHBondContact O-CB 3.03Å; N535-K539 WeakPolarHBondContact O-CD 3.44Å; N535-K539 WeakPolarHBondContact O-CG 3.5Å; N535-K539 PolarHBondContact O-N 3.49Å; D536-K539 WeakPolarHBondContact O-CE 3.48Å; D536-K539 IonicContact OD1-NZ 2.66Å; D536-K539 PolarHBondContact OD1-NZ 2.79Å; L537-K539 VanDerWaalsContact C-N 3.26Å; L537-K539 PolarHBondContact O-N 3.03Å; K539-M556 WeakPolarHBondContact CA-O 3.46Å; K539-K561 PolarHBondContact O-NZ 2.89Å
540H93Very high89.4Confident0 Ų040.1 Ų40.10%020%0.204CC..THydrogen-bonded Turntrans-94.4-9.3180-58.5-66.9000114.3L455 Q458 I476 D536 L537 L538 K561 C562 I563L455-H540 WeakPolarHBondContact CD2-NE2 3.34Å; Q458-H540 PolarHBondContact OE1-CE1 3.07Å; I476-H540 HydrophobicContact CD1-CB 4.29Å; I476-H540 VanDerWaalsContact CD1-CD2 3.41Å; I476-H540 WeakPolarHBondContact CD1-CD2 3.43Å; I476-H540 HydrophobicContact CG2-CB 3.95Å; D536-H540 PolarHBondContact O-CD2 2.95Å; D536-H540 PolarHBondContact O-NE2 3.2Å; L537-H540 WeakPolarHBondContact O-CB 3.09Å; L537-H540 PolarHBondContact O-N 3.12Å; L538-H540 PolarHBondContact O-N 2.91Å; H540-K561 WeakPolarHBondContact O-CD 3.37Å; H540-C562 PolarHBondContact ND1-N 3.48Å; H540-I563 WeakPolarHBondContact O-CG2 3Å
541S94Very high91.1Very high3 Ų342.6 Ų42.62%0.02123%0.225CC..  trans-86.4125.3174.6169.80000109.9L538 E543 F544 S545 K561L538-S541 PolarHBondContact O-N 2.94Å; S541-E543 PolarHBondContact OG-N 3.46Å; S541-E543 PolarHBondContact OG-OE2 2.95Å; S541-F544 PolarHBondContact OG-N 2.81Å; S541-S545 PolarHBondContact O-OG 3.37Å; S541-S545 VanDerWaalsContact O-OG 3.14Å; S541-K561 PolarHBondContact O-NZ 3.05Å
542Q93.7Very high92.2Very high79 Ų7945.5 Ų45.537%0.36924%0.241SC..Hα-helixtrans-71.9-39.7172.3-178.359.752.200109.7F544 S545 D546 K561Q542-F544 VanDerWaalsContact C-N 3.33Å; Q542-F544 PolarHBondContact O-N 3.15Å; Q542-S545 CarbonylContact O-C 3.5Å; Q542-S545 WeakPolarHBondContact O-CA 3.45Å; Q542-S545 VanDerWaalsContact O-CB 3.27Å; Q542-S545 WeakPolarHBondContact O-CB 3.39Å; Q542-S545 PolarHBondContact O-N 2.95Å; Q542-D546 PolarHBondContact NE2-OD1 3.45Å; Q542-D546 VanDerWaalsContact O-CG 3.27Å; Q542-D546 PolarHBondContact O-N 3.46Å; Q542-K561 HydrophobicContact CB-CD 4.04Å
543E94.2Very high92.8Very high41 Ų4154 Ų5419%0.19227%0.274CS..Hα-helixtrans-61.4-40.5-178.7-52.783.4177.300111.8F483 F503 S541 S545 D546 V547F483-E543 HydrophobicContact CD1-CB 3.63Å; F483-E543 HydrophobicContact CD1-CG 3.64Å; F483-E543 HydrophobicContact CE1-CB 3.46Å; F483-E543 VanDerWaalsContact CE1-CB 3.46Å; F483-E543 HydrophobicContact CE1-CG 3.72Å; F483-E543 HydrophobicContact CG-CB 4.41Å; F483-E543 HydrophobicContact CZ-CB 4.11Å; F503-E543 HydrophobicContact CE2-CB 4.5Å; F503-E543 HydrophobicContact CZ-CB 4.12Å; S541-E543 PolarHBondContact OG-N 3.46Å; S541-E543 PolarHBondContact OG-OE2 2.95Å; E543-S545 VanDerWaalsContact C-N 3.32Å; E543-S545 PolarHBondContact O-N 3.45Å; E543-D546 PolarHBondContact O-N 3.03Å; E543-V547 WeakPolarHBondContact O-CB 3.37Å; E543-V547 VanDerWaalsContact O-CG2 3.25Å; E543-V547 WeakPolarHBondContact O-CG2 3.47Å; E543-V547 PolarHBondContact O-N 3.33Å
544F96.4Very high93.2Very high19 Ų1953.3 Ų53.38%0.08327%0.269CS..Hα-helixtrans-59.8-44.5170.9174.3-94.3000111.5F503 L538 S541 Q542 D546 V547 Y548 M556F503-F544 HydrophobicContact CB-CD2 4.03Å; F503-F544 HydrophobicContact CB-CE2 4.4Å; F503-F544 HydrophobicContact CD1-CB 4.28Å; F503-F544 AromaticContact CD1-CD2 3.94Å; F503-F544 HydrophobicContact CD1-CD2 3.94Å; F503-F544 HydrophobicContact CD2-CB 4.42Å; F503-F544 HydrophobicContact CD2-CD2 4.04Å; F503-F544 HydrophobicContact CE1-CB 3.91Å; F503-F544 HydrophobicContact CE1-CD2 4.42Å; F503-F544 HydrophobicContact CE2-CB 4.07Å; F503-F544 AromaticContact CG-CD2 3.74Å; F503-F544 HydrophobicContact CG-CD2 3.74Å; F503-F544 HydrophobicContact CZ-CB 3.81Å; L538-F544 HydrophobicContact CB-CD1 4.12Å; L538-F544 HydrophobicContact CB-CD2 4.39Å; L538-F544 HydrophobicContact CB-CE1 4.39Å; L538-F544 HydrophobicContact CB-CG 4.14Å; L538-F544 HydrophobicContact CD1-CD2 3.91Å; L538-F544 HydrophobicContact CD1-CE2 3.68Å; L538-F544 HydrophobicContact CD1-CG 4.48Å; L538-F544 HydrophobicContact CD1-CZ 4.08Å; L538-F544 HydrophobicContact CD2-CB 4.35Å; L538-F544 HydrophobicContact CD2-CD2 3.88Å; L538-F544 HydrophobicContact CD2-CE2 4.5Å; L538-F544 HydrophobicContact CD2-CG 4.11Å; L538-F544 HydrophobicContact CG-CD2 4.29Å; L538-F544 HydrophobicContact CG-CE2 4.5Å; L538-F544 HydrophobicContact CG-CG 4.48Å; S541-F544 PolarHBondContact OG-N 2.81Å; Q542-F544 VanDerWaalsContact C-N 3.33Å; Q542-F544 PolarHBondContact O-N 3.15Å; F544-D546 VanDerWaalsContact C-N 3.28Å; F544-D546 PolarHBondContact O-N 3.3Å; F544-V547 PolarHBondContact O-N 3.48Å; F544-Y548 AromaticContact CD2-CD2 3.61Å; F544-Y548 HydrophobicContact CD2-CD2 3.61Å; F544-Y548 AromaticContact CD2-CE2 3.77Å; F544-Y548 HydrophobicContact CD2-CE2 3.77Å; F544-Y548 HydrophobicContact CE1-CD2 4.49Å; F544-Y548 AromaticContact CE2-CD2 3.29Å; F544-Y548 HydrophobicContact CE2-CD2 3.29Å; F544-Y548 AromaticContact CE2-CE2 3.41Å; F544-Y548 HydrophobicContact CE2-CE2 3.41Å; F544-Y548 VanDerWaalsContact CE2-CE2 3.41Å; F544-Y548 HydrophobicContact CE2-CG 4.07Å; F544-Y548 HydrophobicContact CG-CD2 4.35Å; F544-Y548 AromaticContact CZ-CD2 3.79Å; F544-Y548 HydrophobicContact CZ-CD2 3.79Å; F544-Y548 HydrophobicContact CZ-CE2 4.26Å; F544-Y548 HydrophobicContact CZ-CG 4.14Å; F544-Y548 WeakPolarHBondContact O-CD2 3.37Å; F544-Y548 PolarHBondContact O-N 2.95Å; F544-Y548 VanDerWaalsContact O-N 3.08Å; F544-M556 HydrophobicContact CE1-CB 3.96Å; F544-M556 HydrophobicContact CE1-CE 3.78Å; F544-M556 HydrophobicContact CZ-CE 4.08Å
545S96.2Very high93.2Very high2 Ų261 Ų611%0.01430%0.302CS..Hα-helixtrans-64.6-35.8179.9-570000111.5S541 Q542 E543 Q549 C550 M556 N557 K561S541-S545 PolarHBondContact O-OG 3.37Å; S541-S545 VanDerWaalsContact O-OG 3.14Å; Q542-S545 CarbonylContact O-C 3.5Å; Q542-S545 WeakPolarHBondContact O-CA 3.45Å; Q542-S545 VanDerWaalsContact O-CB 3.27Å; Q542-S545 WeakPolarHBondContact O-CB 3.39Å; Q542-S545 PolarHBondContact O-N 2.95Å; E543-S545 VanDerWaalsContact C-N 3.32Å; E543-S545 PolarHBondContact O-N 3.45Å; S545-Q549 CarbonylContact O-C 3.31Å; S545-Q549 VanDerWaalsContact O-CA 3.3Å; S545-Q549 WeakPolarHBondContact O-CA 3.47Å; S545-Q549 PolarHBondContact O-N 3.42Å; S545-C550 PolarHBondContact O-N 3.38Å; S545-M556 PolarHBondContact OG-O 2.9Å; S545-N557 VanDerWaalsContact CB-CG 3.49Å; S545-N557 WeakPolarHBondContact OG-CB 3.43Å; S545-N557 VanDerWaalsContact OG-CG 3.26Å; S545-N557 PolarHBondContact OG-OD1 2.88Å; S545-K561 PolarHBondContact OG-NZ 3Å
546D95Very high93.3Very high99 Ų9959.2 Ų59.253%0.52929%0.291SS..Hα-helixtrans-72.4-46.1178.5-62-20.4000111.5Q542 E543 F544 Y548 Q549Q542-D546 PolarHBondContact NE2-OD1 3.45Å; Q542-D546 VanDerWaalsContact O-CG 3.27Å; Q542-D546 PolarHBondContact O-N 3.46Å; E543-D546 PolarHBondContact O-N 3.03Å; F544-D546 VanDerWaalsContact C-N 3.28Å; F544-D546 PolarHBondContact O-N 3.3Å; D546-Y548 VanDerWaalsContact C-N 3.34Å; D546-Y548 PolarHBondContact O-N 3.25Å; D546-Q549 PolarHBondContact O-N 2.87Å
547V95.8Very high93.6Very high39 Ų3958.7 Ų58.724%0.23629%0.289CS..Hα-helixtrans-58.5-45.5178167.70000111.2F483 E500 F503 E543 F544F483-V547 HydrophobicContact CZ-CG2 4.26Å; E500-V547 HydrophobicContact CB-CG1 4.42Å; E500-V547 HydrophobicContact CG-CG1 3.7Å; F503-V547 HydrophobicContact CD2-CB 4.34Å; F503-V547 HydrophobicContact CD2-CG1 4.32Å; F503-V547 HydrophobicContact CD2-CG2 4.32Å; F503-V547 HydrophobicContact CE2-CB 4.33Å; F503-V547 HydrophobicContact CE2-CG2 3.98Å; E543-V547 WeakPolarHBondContact O-CB 3.37Å; E543-V547 VanDerWaalsContact O-CG2 3.25Å; E543-V547 WeakPolarHBondContact O-CG2 3.47Å; E543-V547 PolarHBondContact O-N 3.33Å; F544-V547 PolarHBondContact O-N 3.48Å
548Y96.1Very high93.4Very high91 Ų9162.3 Ų62.336%0.35731%0.305SS..THydrogen-bonded Turntrans-95.49.1-178.4-71.7-89.5000113.7E500 F503 F544 D546 C550E500-Y548 PolarHBondContact O-OH 3.03Å; F503-Y548 HydrophobicContact CB-CE2 3.9Å; F503-Y548 HydrophobicContact CD2-CE2 4.22Å; F503-Y548 HydrophobicContact CG-CE2 4.41Å; F544-Y548 AromaticContact CD2-CD2 3.61Å; F544-Y548 HydrophobicContact CD2-CD2 3.61Å; F544-Y548 AromaticContact CD2-CE2 3.77Å; F544-Y548 HydrophobicContact CD2-CE2 3.77Å; F544-Y548 HydrophobicContact CE1-CD2 4.49Å; F544-Y548 AromaticContact CE2-CD2 3.29Å; F544-Y548 HydrophobicContact CE2-CD2 3.29Å; F544-Y548 AromaticContact CE2-CE2 3.41Å; F544-Y548 HydrophobicContact CE2-CE2 3.41Å; F544-Y548 VanDerWaalsContact CE2-CE2 3.41Å; F544-Y548 HydrophobicContact CE2-CG 4.07Å; F544-Y548 HydrophobicContact CG-CD2 4.35Å; F544-Y548 AromaticContact CZ-CD2 3.79Å; F544-Y548 HydrophobicContact CZ-CD2 3.79Å; F544-Y548 HydrophobicContact CZ-CE2 4.26Å; F544-Y548 HydrophobicContact CZ-CG 4.14Å; F544-Y548 WeakPolarHBondContact O-CD2 3.37Å; F544-Y548 PolarHBondContact O-N 2.95Å; F544-Y548 VanDerWaalsContact O-N 3.08Å; D546-Y548 VanDerWaalsContact C-N 3.34Å; D546-Y548 PolarHBondContact O-N 3.25Å; Y548-C550 PolarHBondContact O-N 2.96Å; Y548-C550 VanDerWaalsContact O-N 3.11Å
549Q96Very high93Very high171 Ų17165 Ų6580%0.79933%0.328SS*.THydrogen-bonded Turntrans49.140.9179.3-57.8178.9-10.100113.2S545 D546 P551S545-Q549 CarbonylContact O-C 3.31Å; S545-Q549 VanDerWaalsContact O-CA 3.3Å; S545-Q549 WeakPolarHBondContact O-CA 3.47Å; S545-Q549 PolarHBondContact O-N 3.42Å; D546-Q549 PolarHBondContact O-N 2.87Å; Q549-P551 WeakPolarHBondContact O-CD 3.33Å
550C95.5Very high92.8Very high24 Ų2470 Ų7016%0.16235%0.35CS..PPolyproline II helixtrans-67.4123.3-176.9-69.40000110.3S545 Y548 V552 N557S545-C550 PolarHBondContact O-N 3.38Å; Y548-C550 PolarHBondContact O-N 2.96Å; Y548-C550 VanDerWaalsContact O-N 3.11Å; C550-V552 PolarHBondContact O-N 3.46Å; C550-N557 HydrophobicContact CB-CB 3.75Å; C550-N557 PolarHBondContact O-ND2 3.43Å
551P94.7Very high92.7Very high94 Ų9471.8 Ų71.861%0.6136%0.358SS*.PPolyproline II helixtrans-56.1141.6177.9-24.933.4000111.5Q549 Y553 S554 N557Q549-P551 WeakPolarHBondContact O-CD 3.33Å; P551-Y553 PolarHBondContact O-N 3.28Å; P551-S554 WeakPolarHBondContact O-CB 3.45Å; P551-S554 PolarHBondContact O-N 3.32Å; P551-S554 PolarHBondContact O-OG 2.97Å; P551-N557 WeakPolarHBondContact O-CB 3.47Å
552V90Very high92.4Very high96 Ų9671.8 Ų71.858%0.58236%0.357SS*.THydrogen-bonded Turntrans-55.9137.7173.1-170.60000108.6C550 S554C550-V552 PolarHBondContact O-N 3.46Å; V552-S554 PolarHBondContact O-N 3.43Å
553Y88.9Confident91.9Very high190 Ų19071.8 Ų71.875%0.74536%0.359SS*.THydrogen-bonded Turntrans71.72.4-174-50.8-82.3000116P551 N557 A559P551-Y553 PolarHBondContact O-N 3.28Å; Y553-N557 PolarHBondContact N-O 3.18Å; Y553-A559 HydrophobicContact CD1-CB 3.65Å; Y553-A559 HydrophobicContact CE1-CB 3.31Å
554S92.7Very high91.1Very high34 Ų3471.7 Ų71.724%0.23836%0.36CS..SBendtrans-64.5160.2166.967.80000110.9P551 V552 M556 N557P551-S554 WeakPolarHBondContact O-CB 3.45Å; P551-S554 PolarHBondContact O-N 3.32Å; P551-S554 PolarHBondContact O-OG 2.97Å; V552-S554 PolarHBondContact O-N 3.43Å; S554-M556 PolarHBondContact O-N 3.35Å; S554-N557 CarbonylContact O-C 3.5Å; S554-N557 VanDerWaalsContact O-C 3.31Å; S554-N557 PolarHBondContact O-N 3.49Å; S554-N557 WeakPolarHBondContact OG-CB 3.33Å; S554-N557 PolarHBondContact OG-N 3.24Å
555K90.3Very high90.9Very high174 Ų17474.4 Ų74.476%0.75737%0.374SS*.THydrogen-bonded Turntrans-53.8-29.6179.1-173.7176.7178.8-1800113.4
556M92.4Very high90.6Very high34 Ų3478.2 Ų78.217%0.16739%0.392CS..THydrogen-bonded Turntrans-101.2-1.5-179.1-61.3-58.8-65.500113.8N535 L538 K539 F544 S545 S554N535-M556 HydrophobicContact CB-CE 4.24Å; N535-M556 HydrophobicContact CB-SD 3.86Å; L538-M556 HydrophobicContact CB-CE 3.58Å; L538-M556 HydrophobicContact CD1-CE 4.23Å; K539-M556 WeakPolarHBondContact CA-O 3.46Å; F544-M556 HydrophobicContact CE1-CB 3.96Å; F544-M556 HydrophobicContact CE1-CE 3.78Å; F544-M556 HydrophobicContact CZ-CE 4.08Å; S545-M556 PolarHBondContact OG-O 2.9Å; S554-M556 PolarHBondContact O-N 3.35Å
557N93.4Very high90.3Very high10 Ų1077 Ų775%0.05339%0.385CS..SBendtrans-133.873.3174.6-171.610.5000110S545 C550 P551 Y553 S554 K561S545-N557 VanDerWaalsContact CB-CG 3.49Å; S545-N557 WeakPolarHBondContact OG-CB 3.43Å; S545-N557 VanDerWaalsContact OG-CG 3.26Å; S545-N557 PolarHBondContact OG-OD1 2.88Å; C550-N557 HydrophobicContact CB-CB 3.75Å; C550-N557 PolarHBondContact O-ND2 3.43Å; P551-N557 WeakPolarHBondContact O-CB 3.47Å; Y553-N557 PolarHBondContact N-O 3.18Å; S554-N557 CarbonylContact O-C 3.5Å; S554-N557 VanDerWaalsContact O-C 3.31Å; S554-N557 PolarHBondContact O-N 3.49Å; S554-N557 WeakPolarHBondContact OG-CB 3.33Å; S554-N557 PolarHBondContact OG-N 3.24Å; N557-K561 VanDerWaalsContact OD1-CE 3.23Å; N557-K561 WeakPolarHBondContact OD1-CE 3.33Å; N557-K561 PolarHBondContact OD1-NZ 3.48Å
558H87Confident90Very high79 Ų7979.2 Ų79.237%0.36639%0.394SS..  trans-68.1134.4-179.8-167.6-89.7000110.5Q458 K560Q458-H558 PolarHBondContact NE2-CE1 3.42Å; Q458-H558 VanDerWaalsContact NE2-CE1 3.32Å; Q458-H558 PolarHBondContact NE2-ND1 3.13Å; H558-K560 VanDerWaalsContact C-N 3.25Å; H558-K560 PolarHBondContact ND1-N 3.21Å; H558-K560 VanDerWaalsContact ND1-N 3.18Å; H558-K560 PolarHBondContact ND1-O 3.04Å; H558-K560 PolarHBondContact O-N 3.46Å
559A85.8Confident89.6Confident59 Ų5978.5 Ų78.549%0.48840%0.396SS..SBendtrans-60.9-33.5-175.600000113.7Y553Y553-A559 HydrophobicContact CD1-CB 3.65Å; Y553-A559 HydrophobicContact CE1-CB 3.31Å
560K88Confident89.2Confident132 Ų13272.3 Ų72.357%0.57437%0.369SS*.SBendtrans-101.8102.4171.7-171.6172.2-174.4171.20109.3Q458 H558Q458-K560 PolarHBondContact NE2-O 3Å; H558-K560 VanDerWaalsContact C-N 3.25Å; H558-K560 PolarHBondContact ND1-N 3.21Å; H558-K560 VanDerWaalsContact ND1-N 3.18Å; H558-K560 PolarHBondContact ND1-O 3.04Å; H558-K560 PolarHBondContact O-N 3.46Å
561K90.4Very high88.8Confident38 Ų3875.8 Ų75.817%0.16538%0.384CS..  trans-84.1142173-64.4178.5-175-80.50109.6K539 H540 S541 Q542 S545 N557 I563K539-K561 PolarHBondContact O-NZ 2.89Å; H540-K561 WeakPolarHBondContact O-CD 3.37Å; S541-K561 PolarHBondContact O-NZ 3.05Å; Q542-K561 HydrophobicContact CB-CD 4.04Å; S545-K561 PolarHBondContact OG-NZ 3Å; N557-K561 VanDerWaalsContact OD1-CE 3.23Å; N557-K561 WeakPolarHBondContact OD1-CE 3.33Å; N557-K561 PolarHBondContact OD1-NZ 3.48Å; K561-I563 HydrophobicContact CB-CG2 4.43Å
562C88.3Confident88.3Confident2 Ų274.4 Ų74.41%0.01437%0.366CS..  trans-107.480-175.3-60.20000109.3Q451 C454 L455 Q458 H540Q451-C562 PolarHBondContact NE2-O 3.13Å; C454-C562 HydrophobicContact CB-CB 3.65Å; C454-C562 WeakPolarHBondContact CB-SG 2.89Å; C454-C562 PolarHBondContact O-SG 2.8Å; C454-C562 VanDerWaalsContact SG-CA 3.53Å; C454-C562 WeakPolarHBondContact SG-CB 3.32Å; C454-C562 CovalentContact SG-SG 2.04Å; C454-C562 PolarHBondContact SG-SG 2.68Å; L455-C562 HydrophobicContact CD2-CB 3.52Å; L455-C562 HydrophobicContact CG-CB 3.9Å; Q458-C562 PolarHBondContact NE2-SG 2.91Å; H540-C562 PolarHBondContact ND1-N 3.48Å
563I83.2Confident88.2Confident80 Ų8072.6 Ų72.641%0.4135%0.348SS..  trans-117.8155.7-174.863.2173.4000110Q451 I476 M480 H540 K561Q451-I563 VanDerWaalsContact NE2-CA 3.34Å; I476-I563 HydrophobicContact CG2-CG2 4.3Å; M480-I563 HydrophobicContact CE-CB 4.34Å; M480-I563 HydrophobicContact CE-CD1 4.02Å; M480-I563 HydrophobicContact CE-CG2 3.95Å; M480-I563 HydrophobicContact SD-CB 4.08Å; M480-I563 HydrophobicContact SD-CG2 3.41Å; M480-I563 WeakPolarHBondContact SD-CG2 3.29Å; H540-I563 WeakPolarHBondContact O-CG2 3Å; K561-I563 HydrophobicContact CB-CG2 4.43Å
564L77.6Confident88.1Confident39 Ų3961.9 Ų61.920%0.20431%0.312CS..  trans-87.90178.5-174.463000112.1W298 M421 V424 F448 N477W298-L564 HydrophobicContact CH2-CD1 3.8Å; W298-L564 HydrophobicContact CH2-CD2 4.03Å; W298-L564 HydrophobicContact CH2-CG 3.63Å; W298-L564 HydrophobicContact CZ2-CD1 4.09Å; W298-L564 HydrophobicContact CZ2-CD2 4.47Å; W298-L564 HydrophobicContact CZ2-CG 3.71Å; W298-L564 WeakPolarHBondContact CZ2-OXT 3.24Å; W298-L564 HydrophobicContact CZ3-CD1 4.32Å; W298-L564 PolarHBondContact NE1-OXT 3.43Å; W298-L564 VanDerWaalsContact NE1-OXT 3.09Å; M421-L564 HydrophobicContact CE-CD2 3.72Å; V424-L564 HydrophobicContact CG1-CD2 4.45Å; F448-L564 HydrophobicContact CB-CD1 4.29Å; F448-L564 HydrophobicContact CD2-CD1 4.24Å; F448-L564 HydrophobicContact CD2-CD2 4.13Å; N477-L564 WeakPolarHBondContact OD1-CB 3.39Å; N477-L564 PolarHBondContact OD1-N 3.38Å

Retrieved 564 of 564 residues in 835.3 ms (Link to these results)

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