A0A077ZEF2_TRITR Loading...

BOS complex subunit NCLN

AlphaFold DB , UniProt , Accession A0A077ZEF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 572 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
1M55.6Low70.8Confident162 Ų162121.7 Ų121.780%0.79861%0.606SS**  0-61.70-155.1-170.4-7400112.2D4 I5M1-D4 WeakPolarHBondContact CA-OD2 3.25Å; M1-D4 PolarHBondContact N-OD2 3.44Å; M1-D4 PolarHBondContact O-N 3.13Å; M1-I5 HydrophobicContact CG-CD1 4.26Å; M1-I5 WeakPolarHBondContact O-CD1 3.39Å; M1-I5 VanDerWaalsContact O-CG1 3.22Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 2.66Å
2L64.3Low71.1Confident154 Ų154118.8 Ų118.881%0.80659%0.589SS**Hα-helixtrans-65.8-38.8177.4-112.2144.5000112.6A6L2-A6 WeakPolarHBondContact O-CB 3.2Å; L2-A6 PolarHBondContact O-N 3.1Å
3E71.2Confident71.3Confident162 Ų162122.5 Ų122.576%0.75759%0.594SS**Hα-helixtrans-66.2-43.6174-71.7177.2159.400112.2I5 A6 E7E3-I5 VanDerWaalsContact C-N 3.32Å; E3-I5 PolarHBondContact O-N 2.89Å; E3-A6 WeakPolarHBondContact O-CB 3.3Å; E3-A6 PolarHBondContact O-N 2.94Å; E3-A6 VanDerWaalsContact O-N 3.12Å; E3-E7 PolarHBondContact O-N 3.35Å
4D75.4Confident71.3Confident104 Ų104117.2 Ų117.256%0.55658%0.58SS**Hα-helixtrans-62.8-38177.4-48.5-57000112.3M1 F8M1-D4 WeakPolarHBondContact CA-OD2 3.25Å; M1-D4 PolarHBondContact N-OD2 3.44Å; M1-D4 PolarHBondContact O-N 3.13Å; D4-F8 WeakPolarHBondContact O-CB 3.41Å; D4-F8 PolarHBondContact O-N 3.5Å
5I71.6Confident71.5Confident90 Ų90114.4 Ų114.446%0.46257%0.572SS.*Hα-helixtrans-68.3-40.3175.2-67.5165.2000110.1M1 E3 F8 I9M1-I5 HydrophobicContact CG-CD1 4.26Å; M1-I5 WeakPolarHBondContact O-CD1 3.39Å; M1-I5 VanDerWaalsContact O-CG1 3.22Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 2.66Å; E3-I5 VanDerWaalsContact C-N 3.32Å; E3-I5 PolarHBondContact O-N 2.89Å; I5-F8 PolarHBondContact O-N 3.19Å; I5-I9 HydrophobicContact CG2-CD1 3.82Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.12Å
6A68Low71.5Confident55 Ų55110.1 Ų110.146%0.45556%0.556SS.*Hα-helixtrans-64.5-42.2176.800000111.7L2 E3 I9 R10L2-A6 WeakPolarHBondContact O-CB 3.2Å; L2-A6 PolarHBondContact O-N 3.1Å; E3-A6 WeakPolarHBondContact O-CB 3.3Å; E3-A6 PolarHBondContact O-N 2.94Å; E3-A6 VanDerWaalsContact O-N 3.12Å; A6-I9 PolarHBondContact O-N 3.25Å; A6-R10 WeakPolarHBondContact O-CB 3.47Å; A6-R10 PolarHBondContact O-N 3.42Å
7E74.6Confident71.6Confident141 Ų141107.7 Ų107.766%0.65955%0.547SS*.Hα-helixtrans-64.4-40.4174-78.4-166.9153.500112.3E3 R10 S11E3-E7 PolarHBondContact O-N 3.35Å; E7-R10 PolarHBondContact O-N 3.02Å; E7-S11 PolarHBondContact O-N 3.47Å
8F75.1Confident71.6Confident103 Ų103108.4 Ų108.445%0.45255%0.552SS.*Hα-helixtrans-62.5-46174.9-176-98.4000111.8D4 I5 R10 S11 Q12D4-F8 WeakPolarHBondContact O-CB 3.41Å; D4-F8 PolarHBondContact O-N 3.5Å; I5-F8 PolarHBondContact O-N 3.19Å; F8-R10 VanDerWaalsContact C-N 3.3Å; F8-R10 PolarHBondContact O-N 3.32Å; F8-S11 PolarHBondContact O-N 3.01Å; F8-S11 PolarHBondContact O-OG 3.35Å; F8-S11 VanDerWaalsContact O-OG 3.05Å; F8-Q12 HydrophobicContact CD1-CG 4.23Å; F8-Q12 HydrophobicContact CE1-CG 3.85Å; F8-Q12 HydrophobicContact CE2-CG 4.42Å; F8-Q12 HydrophobicContact CZ-CG 3.96Å; F8-Q12 VanDerWaalsContact O-CG 3.31Å; F8-Q12 WeakPolarHBondContact O-CG 3.32Å; F8-Q12 PolarHBondContact O-N 2.9Å
9I72.8Confident71.5Confident106 Ų106108.4 Ų108.454%0.54455%0.553SS.*Hα-helixtrans-62.9-39.9176.5-68.4169000110.6I5 A6 S11 Q12 Y13I5-I9 HydrophobicContact CG2-CD1 3.82Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.12Å; A6-I9 PolarHBondContact O-N 3.25Å; I9-S11 PolarHBondContact O-N 3Å; I9-Q12 PolarHBondContact O-N 3.33Å; I9-Y13 WeakPolarHBondContact O-CB 3.38Å; I9-Y13 PolarHBondContact O-N 3.38Å
10R72.9Confident71.4Confident203 Ų203108.6 Ų108.677%0.76656%0.555SS**Hα-helixtrans-66.1-37.8179.2-149.7175.6-161.9157.13.4111.8A6 E7 F8 A14A6-R10 WeakPolarHBondContact O-CB 3.47Å; A6-R10 PolarHBondContact O-N 3.42Å; E7-R10 PolarHBondContact O-N 3.02Å; F8-R10 VanDerWaalsContact C-N 3.3Å; F8-R10 PolarHBondContact O-N 3.32Å; R10-A14 WeakPolarHBondContact O-CB 3.31Å; R10-A14 PolarHBondContact O-N 2.89Å
11S77Confident71.1Confident59 Ų59106 Ų10641%0.41355%0.546SS..Hα-helixtrans-68.9-42.517684.90000111.7E7 F8 I9 Y13 A14 V15E7-S11 PolarHBondContact O-N 3.47Å; F8-S11 PolarHBondContact O-N 3.01Å; F8-S11 PolarHBondContact O-OG 3.35Å; F8-S11 VanDerWaalsContact O-OG 3.05Å; I9-S11 PolarHBondContact O-N 3Å; S11-Y13 PolarHBondContact O-N 2.88Å; S11-A14 PolarHBondContact O-N 2.92Å; S11-V15 WeakPolarHBondContact O-CG2 3.17Å; S11-V15 PolarHBondContact O-N 3.01Å
12Q74.9Confident71.6Confident86 Ų86105.1 Ų105.140%0.40254%0.538SS..Hα-helixtrans-66.1-38.5176.5-65.2-60.5-29.300111.9F8 I9 V15 C16F8-Q12 HydrophobicContact CD1-CG 4.23Å; F8-Q12 HydrophobicContact CE1-CG 3.85Å; F8-Q12 HydrophobicContact CE2-CG 4.42Å; F8-Q12 HydrophobicContact CZ-CG 3.96Å; F8-Q12 VanDerWaalsContact O-CG 3.31Å; F8-Q12 WeakPolarHBondContact O-CG 3.32Å; F8-Q12 PolarHBondContact O-N 2.9Å; I9-Q12 PolarHBondContact O-N 3.33Å; Q12-V15 PolarHBondContact O-N 3.06Å; Q12-C16 WeakPolarHBondContact O-CB 3.49Å; Q12-C16 PolarHBondContact O-N 3.11Å; Q12-C16 PolarHBondContact O-SG 2.83Å
13Y73.4Confident71.6Confident168 Ų168101.9 Ų101.966%0.65953%0.525SS*.Hα-helixtrans-64.4-42.8174.4-168.3-94.4000111.5I9 S11 V15 C16 V17I9-Y13 WeakPolarHBondContact O-CB 3.38Å; I9-Y13 PolarHBondContact O-N 3.38Å; S11-Y13 PolarHBondContact O-N 2.88Å; Y13-V15 PolarHBondContact O-N 2.59Å; Y13-C16 PolarHBondContact O-N 2.99Å; Y13-V17 HydrophobicContact CD1-CG2 3.82Å; Y13-V17 HydrophobicContact CE1-CG2 3.51Å; Y13-V17 VanDerWaalsContact O-CG2 3.31Å; Y13-V17 WeakPolarHBondContact O-CG2 3.46Å; Y13-V17 PolarHBondContact O-N 3.27Å
14A71.4Confident71.1Confident48 Ų4897.3 Ų97.340%0.39751%0.508SS..Hα-helixtrans-62-41.5176.600000112.3R10 S11 V17 L18R10-A14 WeakPolarHBondContact O-CB 3.31Å; R10-A14 PolarHBondContact O-N 2.89Å; S11-A14 PolarHBondContact O-N 2.92Å; A14-V17 PolarHBondContact O-N 3.32Å; A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 PolarHBondContact O-N 3.03Å
15V74.8Confident70.2Confident75 Ų7596.3 Ų96.346%0.45551%0.505SS..Hα-helixtrans-64.7-42.3174.5174.10000111.1S11 Q12 Y13 V17 L18 L19S11-V15 WeakPolarHBondContact O-CG2 3.17Å; S11-V15 PolarHBondContact O-N 3.01Å; Q12-V15 PolarHBondContact O-N 3.06Å; Y13-V15 PolarHBondContact O-N 2.59Å; V15-V17 PolarHBondContact O-N 2.91Å; V15-L18 PolarHBondContact O-N 3.15Å; V15-L19 HydrophobicContact CG1-CD1 3.93Å; V15-L19 HydrophobicContact CG1-CG 4.46Å; V15-L19 WeakPolarHBondContact O-CB 3.35Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.91Å
16C71Confident69.6Low46 Ų4694.1 Ų94.131%0.31150%0.498SS..Hα-helixtrans-63.3-41.8176.3-69.60000112.1Q12 Y13 L19 L20Q12-C16 WeakPolarHBondContact O-CB 3.49Å; Q12-C16 PolarHBondContact O-N 3.11Å; Q12-C16 PolarHBondContact O-SG 2.83Å; Y13-C16 PolarHBondContact O-N 2.99Å; C16-L19 PolarHBondContact O-N 3.35Å; C16-L20 WeakPolarHBondContact O-CB 3.14Å; C16-L20 PolarHBondContact O-N 3.13Å
17V72.7Confident68.9Low69 Ų6994.3 Ų94.342%0.41850%0.496SS..Hα-helixtrans-67.9-38.1177.3172.40000111.5Y13 A14 V15 L20 S21Y13-V17 HydrophobicContact CD1-CG2 3.82Å; Y13-V17 HydrophobicContact CE1-CG2 3.51Å; Y13-V17 VanDerWaalsContact O-CG2 3.31Å; Y13-V17 WeakPolarHBondContact O-CG2 3.46Å; Y13-V17 PolarHBondContact O-N 3.27Å; A14-V17 PolarHBondContact O-N 3.32Å; V15-V17 PolarHBondContact O-N 2.91Å; V17-L20 PolarHBondContact O-N 3.3Å; V17-S21 VanDerWaalsContact O-CB 3.28Å; V17-S21 WeakPolarHBondContact O-CB 3.45Å; V17-S21 PolarHBondContact O-N 2.93Å; V17-S21 PolarHBondContact O-OG 3.49Å
18L71.7Confident67.9Low120 Ų12096.6 Ų96.663%0.62850%0.5SS*.Hα-helixtrans-66.7-40.7173.7-90.1162.9000112.4A14 V15 S21 F22A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 PolarHBondContact O-N 3.03Å; V15-L18 PolarHBondContact O-N 3.15Å; L18-S21 WeakPolarHBondContact CA-OG 3.5Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S21 PolarHBondContact O-OG 3.11Å; L18-S21 VanDerWaalsContact O-OG 3.06Å; L18-F22 VanDerWaalsContact O-CB 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.2Å; L18-F22 PolarHBondContact O-N 3.1Å
19L70.9Confident66.7Low108 Ų10895.5 Ų95.557%0.56551%0.51SS*.Hα-helixtrans-66.3-43.3174.7-75.5169000111.2V15 C16 F22 V23V15-L19 HydrophobicContact CG1-CD1 3.93Å; V15-L19 HydrophobicContact CG1-CG 4.46Å; V15-L19 WeakPolarHBondContact O-CB 3.35Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.91Å; C16-L19 PolarHBondContact O-N 3.35Å; L19-F22 PolarHBondContact O-N 2.8Å; L19-V23 WeakPolarHBondContact O-CB 3.41Å; L19-V23 WeakPolarHBondContact O-CG2 3.35Å; L19-V23 PolarHBondContact O-N 3.22Å
20L69.8Low65.2Low113 Ų11395.9 Ų95.959%0.59251%0.513SS*.Hα-helixtrans-62.9-43.9174.6-98.3150.7000111.7C16 V17 F22 V23 V24C16-L20 WeakPolarHBondContact O-CB 3.14Å; C16-L20 PolarHBondContact O-N 3.13Å; V17-L20 PolarHBondContact O-N 3.3Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 3.19Å; L20-V23 PolarHBondContact O-N 3.05Å; L20-V24 WeakPolarHBondContact O-CB 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.09Å; L20-V24 PolarHBondContact O-N 2.98Å
21S64.1Low63.5Low53 Ų5391.4 Ų91.437%0.37151%0.507SS..Hα-helixtrans-68.2-34178.9720000111.9V17 L18 V24 T25V17-S21 VanDerWaalsContact O-CB 3.28Å; V17-S21 WeakPolarHBondContact O-CB 3.45Å; V17-S21 PolarHBondContact O-N 2.93Å; V17-S21 PolarHBondContact O-OG 3.49Å; L18-S21 WeakPolarHBondContact CA-OG 3.5Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S21 PolarHBondContact O-OG 3.11Å; L18-S21 VanDerWaalsContact O-OG 3.06Å; S21-V24 PolarHBondContact O-N 3.3Å; S21-T25 WeakPolarHBondContact O-CB 3.43Å; S21-T25 WeakPolarHBondContact O-CG2 3.46Å; S21-T25 PolarHBondContact O-N 3.32Å; S21-T25 PolarHBondContact O-OG1 2.8Å
22F65.5Low61.6Low145 Ų14592.5 Ų92.564%0.63651%0.513SS*.Hα-helixtrans-70.1-39.1173-169.5-98.4000112.6L18 L19 L20 V24 T25 S26L18-F22 VanDerWaalsContact O-CB 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.2Å; L18-F22 PolarHBondContact O-N 3.1Å; L19-F22 PolarHBondContact O-N 2.8Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 3.19Å; F22-V24 VanDerWaalsContact C-N 3.35Å; F22-T25 WeakPolarHBondContact CA-OG1 3.38Å; F22-S26 WeakPolarHBondContact O-CB 3.43Å; F22-S26 PolarHBondContact O-N 3.04Å; F22-S26 PolarHBondContact O-OG 3.05Å
23V64.5Low59.7Low86 Ų8693.3 Ų93.352%0.52153%0.528SS..Hα-helixtrans-64.6-41.1173.5170.20000110.5L19 L20 S26 S27L19-V23 WeakPolarHBondContact O-CB 3.41Å; L19-V23 WeakPolarHBondContact O-CG2 3.35Å; L19-V23 PolarHBondContact O-N 3.22Å; L20-V23 PolarHBondContact O-N 3.05Å; V23-S26 PolarHBondContact O-OG 2.95Å; V23-S27 WeakPolarHBondContact O-CB 3.47Å; V23-S27 PolarHBondContact O-N 3.15Å; V23-S27 PolarHBondContact O-OG 3.01Å
24V61.6Low57.7Low66 Ų6697 Ų9740%0.454%0.541SS..Hα-helixtrans-71.2-45178.5175.10000111.4L20 S21 F22 S27 Y28L20-V24 WeakPolarHBondContact O-CB 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.09Å; L20-V24 PolarHBondContact O-N 2.98Å; S21-V24 PolarHBondContact O-N 3.3Å; F22-V24 VanDerWaalsContact C-N 3.35Å; V24-S27 WeakPolarHBondContact CA-OG 3.47Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-OG 3.27Å; V24-Y28 HydrophobicContact CG1-CD2 4.04Å; V24-Y28 HydrophobicContact CG1-CE2 3.64Å; V24-Y28 WeakPolarHBondContact O-CD2 3.44Å; V24-Y28 PolarHBondContact O-N 3.3Å
25T57.1Low56Low83 Ų8399.7 Ų99.751%0.50956%0.557SS.*Hα-helixtrans-72.3-34.618049.50000113.2S21 F22 S27 Y28 A29S21-T25 WeakPolarHBondContact O-CB 3.43Å; S21-T25 WeakPolarHBondContact O-CG2 3.46Å; S21-T25 PolarHBondContact O-N 3.32Å; S21-T25 PolarHBondContact O-OG1 2.8Å; F22-T25 WeakPolarHBondContact CA-OG1 3.38Å; T25-S27 VanDerWaalsContact C-N 3.28Å; T25-S27 PolarHBondContact O-N 3.37Å; T25-Y28 PolarHBondContact O-N 3.38Å; T25-A29 WeakPolarHBondContact O-CB 3.29Å; T25-A29 PolarHBondContact O-N 2.61Å; T25-A29 VanDerWaalsContact O-N 3.14Å
26S57.3Low54.3Low43 Ų43100.6 Ų100.630%0.30157%0.572SS.*Hα-helixtrans-69.3-25.8172.368.80000112.9F22 V23F22-S26 WeakPolarHBondContact O-CB 3.43Å; F22-S26 PolarHBondContact O-N 3.04Å; F22-S26 PolarHBondContact O-OG 3.05Å; V23-S26 PolarHBondContact O-OG 2.95Å
27S54.3Low53.5Low59 Ų59101 Ų10141%0.41358%0.575SS.*Hα-helixtrans-78.5-17.417542.10000114.3V23 V24 T25V23-S27 WeakPolarHBondContact O-CB 3.47Å; V23-S27 PolarHBondContact O-N 3.15Å; V23-S27 PolarHBondContact O-OG 3.01Å; V24-S27 WeakPolarHBondContact CA-OG 3.47Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-OG 3.27Å; T25-S27 VanDerWaalsContact C-N 3.28Å; T25-S27 PolarHBondContact O-N 3.37Å
28Y52.4Low52.8Low189 Ų189103.7 Ų103.774%0.74158%0.583SS**Hα-helixtrans-93.5-27.9171.2-71.1-70.9000114V24 T25V24-Y28 HydrophobicContact CG1-CD2 4.04Å; V24-Y28 HydrophobicContact CG1-CE2 3.64Å; V24-Y28 WeakPolarHBondContact O-CD2 3.44Å; V24-Y28 PolarHBondContact O-N 3.3Å; T25-Y28 PolarHBondContact O-N 3.38Å
29A49.8Very low53Low81 Ų81101 Ų10167%0.66957%0.572SS**Hα-helixtrans-86.5-12.3-17200000115.5T25T25-A29 WeakPolarHBondContact O-CB 3.29Å; T25-A29 PolarHBondContact O-N 2.61Å; T25-A29 VanDerWaalsContact O-N 3.14Å
30L42.1Very low53.8Low114 Ų11498.4 Ų98.460%0.59756%0.557SS**  trans-122.980.1177.5-77124000110.2P32L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.43Å
31V38.4Very low54.8Low108 Ų10897 Ų9766%0.65555%0.553SS**  trans-83.994.2155.1179.40000106.4S33V31-S33 PolarHBondContact O-N 2.92Å
32P36.6Very low56.2Low82 Ų8295.1 Ų95.153%0.53254%0.538SS..  trans-65.3112.7158.328.9-30.4000105.6L30 R34L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-R34 PolarHBondContact O-N 2.63Å
33S34Very low57.5Low103 Ų10391.6 Ų91.672%0.7253%0.528SS*.  trans-39.6129.2159.840.90000108.7V31 S35V31-S33 PolarHBondContact O-N 2.92Å; S33-S35 PolarHBondContact O-N 3.35Å
34R31.6Very low59Low247 Ų24787.5 Ų87.593%0.93250%0.503SS*.  trans-12100.9168.4-74.5170.3167.3162.3-4.6111.3P32 A36P32-R34 PolarHBondContact O-N 2.63Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-A36 PolarHBondContact O-N 3.01Å
35S36.4Very low60.5Low104 Ų10485 Ų8573%0.72749%0.488SS*.  trans-59.6109.316440.10000105.4S33 S37S33-S35 PolarHBondContact O-N 3.35Å; S35-S37 PolarHBondContact O-N 3.35Å
36A39.7Very low62.2Low93 Ų9381.1 Ų81.177%0.76946%0.464SS*.  trans-56100.2-178.200000107.9R34 E38R34-A36 VanDerWaalsContact C-N 3.35Å; R34-A36 PolarHBondContact O-N 3.01Å; A36-E38 PolarHBondContact O-N 3.36Å
37S53.6Low63.9Low54 Ų5479.2 Ų79.238%0.37845%0.45SS..  trans-65.7106166.261.10000105.3S35 T39S35-S37 PolarHBondContact O-N 3.35Å; S37-T39 PolarHBondContact O-N 3.09Å; S37-T39 PolarHBondContact O-OG1 3.25Å; S37-T39 VanDerWaalsContact O-OG1 3.13Å
38E58.8Low65.6Low126 Ų12676.5 Ų76.559%0.58943%0.431SS*.  trans-52.2109.7170.6-75.6178.8174.200107.1A36A36-E38 PolarHBondContact O-N 3.36Å
39T75.4Confident67.3Low63 Ų6367.6 Ų67.639%0.38740%0.396SS..EExtended strand (participates in β ladder)trans-96.995.3177.6-58.30000105.3S37 L509 H511S37-T39 PolarHBondContact O-N 3.09Å; S37-T39 PolarHBondContact O-OG1 3.25Å; S37-T39 VanDerWaalsContact O-OG1 3.13Å; T39-L509 HydrophobicContact CG2-CB 4.04Å; T39-L509 HydrophobicContact CG2-CD2 4.28Å; T39-H511 WeakPolarHBondContact CG2-CE1 3.49Å; T39-H511 PolarHBondContact OG1-CE1 2.85Å; T39-H511 VanDerWaalsContact OG1-CE1 3.25Å; T39-H511 PolarHBondContact OG1-ND1 2.88Å
40E86.6Confident69.2Low55 Ų5563.8 Ų63.826%0.25736%0.364SS..EExtended strand (participates in β ladder)trans-85.7142.8175.4-59-179.7120.100107.7L148 K151 Y180 A510E40-L148 HydrophobicContact CB-CD1 3.72Å; E40-L148 HydrophobicContact CB-CD2 3.6Å; E40-L148 HydrophobicContact CB-CG 4.32Å; E40-L148 VanDerWaalsContact CD-CD1 3.43Å; E40-L148 HydrophobicContact CG-CD1 4.17Å; E40-L148 WeakPolarHBondContact OE2-CD1 3.21Å; E40-K151 IonicContact OE1-NZ 2.78Å; E40-K151 PolarHBondContact OE1-NZ 3.43Å; E40-K151 IonicContact OE2-NZ 2.92Å; E40-K151 PolarHBondContact OE2-NZ 3.48Å; E40-Y180 PolarHBondContact OE2-OH 3.36Å; E40-A510 PolarHBondContact N-O 3.43Å; E40-A510 WeakPolarHBondContact O-CB 3.32Å; E40-A510 PolarHBondContact O-N 3.01Å
41T91.4Very high71.5Confident82 Ų8259 Ų5950%0.50334%0.339SS..EExtended strand (participates in β ladder)trans-123.1138.3-176.867.10000110.8I508 L509T41-I508 VanDerWaalsContact CA-O 3.32Å; T41-I508 WeakPolarHBondContact CA-O 3.39Å; T41-L509 HydrophobicContact CG2-CD2 3.34Å
42F93.1Very high73.9Confident15 Ų1554 Ų547%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-134.3150.8171.264.4-83.5000111.4V44 I106 A143 L148 V149 I152 L182 I508 A510F42-V44 HydrophobicContact CD2-CG1 3.73Å; F42-V44 HydrophobicContact CE2-CG1 3.41Å; F42-V44 VanDerWaalsContact CE2-CG1 3.41Å; F42-V44 HydrophobicContact CZ-CG1 4.46Å; F42-I106 HydrophobicContact CZ-CD1 4.49Å; F42-A143 HydrophobicContact CD2-CB 4.39Å; F42-A143 HydrophobicContact CE2-CB 4.11Å; F42-L148 HydrophobicContact CB-CD2 4.21Å; F42-L148 HydrophobicContact CD1-CD2 4.1Å; F42-V149 HydrophobicContact CB-CG2 4.5Å; F42-V149 HydrophobicContact CD1-CG2 4.49Å; F42-V149 HydrophobicContact CD2-CG2 3.84Å; F42-V149 HydrophobicContact CE2-CG2 4.12Å; F42-V149 HydrophobicContact CG-CG2 4.03Å; F42-I152 HydrophobicContact CD1-CD1 4.48Å; F42-I152 HydrophobicContact CE1-CD1 4.06Å; F42-L182 HydrophobicContact CE1-CD2 4.05Å; F42-L182 HydrophobicContact CZ-CD1 4.31Å; F42-L182 HydrophobicContact CZ-CD2 4.36Å; F42-I508 HydrophobicContact CD1-CB 4.43Å; F42-I508 HydrophobicContact CE1-CB 3.98Å; F42-I508 HydrophobicContact CE1-CG2 3.76Å; F42-I508 HydrophobicContact CE2-CB 4.19Å; F42-I508 HydrophobicContact CE2-CD1 4.12Å; F42-I508 HydrophobicContact CZ-CB 3.84Å; F42-I508 HydrophobicContact CZ-CD1 4.04Å; F42-I508 HydrophobicContact CZ-CG1 4.49Å; F42-I508 HydrophobicContact CZ-CG2 3.78Å; F42-I508 PolarHBondContact N-O 2.94Å; F42-I508 VanDerWaalsContact N-O 3.1Å; F42-I508 PolarHBondContact O-N 3.31Å; F42-A510 HydrophobicContact CE1-CB 4.25Å
43T94Very high76.3Confident70 Ų7054 Ų5443%0.42930%0.302SS..EExtended strand (participates in β ladder)trans-81.4139.3179.7-54.30000110.3F45 V505T43-F45 HydrophobicContact CG2-CE1 3.95Å; T43-F45 HydrophobicContact CG2-CZ 4Å; T43-V505 HydrophobicContact CG2-CG1 3.54Å
44V94.3Very high78.6Confident0 Ų051.7 Ų51.70%029%0.294CS..EExtended strand (participates in β ladder)trans-128.9153172.4-64.80000111.1F42 Y141 I142 A143 D506 I508F42-V44 HydrophobicContact CD2-CG1 3.73Å; F42-V44 HydrophobicContact CE2-CG1 3.41Å; F42-V44 VanDerWaalsContact CE2-CG1 3.41Å; F42-V44 HydrophobicContact CZ-CG1 4.46Å; V44-Y141 HydrophobicContact CB-CD1 3.94Å; V44-Y141 HydrophobicContact CB-CG 4.21Å; V44-Y141 HydrophobicContact CG2-CD1 3.46Å; V44-Y141 VanDerWaalsContact CG2-CD1 3.46Å; V44-Y141 HydrophobicContact CG2-CE1 3.88Å; V44-Y141 HydrophobicContact CG2-CG 3.9Å; V44-I142 CarbonylContact C-O 3.54Å; V44-I142 WeakPolarHBondContact CA-O 3.15Å; V44-A143 HydrophobicContact CG1-CB 4.15Å; V44-D506 HydrophobicContact CG2-CB 3.98Å; V44-D506 PolarHBondContact N-O 3.39Å; V44-D506 PolarHBondContact O-N 3.42Å; V44-I508 HydrophobicContact CB-CD1 4.22Å; V44-I508 HydrophobicContact CB-CG1 4.43Å; V44-I508 HydrophobicContact CG1-CD1 3.48Å; V44-I508 VanDerWaalsContact CG1-CD1 3.48Å; V44-I508 HydrophobicContact CG1-CG1 3.89Å; V44-I508 HydrophobicContact CG2-CD1 3.8Å; V44-I508 HydrophobicContact CG2-CG1 3.67Å
45F93.9Very high81.3Confident15 Ų1543.3 Ų43.37%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-115.1118.3-178.6-55.4-64.2000108.9T43 Y141 I142 I144 A228 S230 R231 V504 V505T43-F45 HydrophobicContact CG2-CE1 3.95Å; T43-F45 HydrophobicContact CG2-CZ 4Å; F45-Y141 CarbonylContact O-C 3.55Å; F45-Y141 WeakPolarHBondContact O-CA 3.3Å; F45-I142 HydrophobicContact CB-CB 4.35Å; F45-I142 PolarHBondContact N-O 3.2Å; F45-I142 PolarHBondContact O-N 2.96Å; F45-I144 HydrophobicContact CD2-CD1 4.43Å; F45-I144 HydrophobicContact CD2-CG1 4.29Å; F45-I144 HydrophobicContact CE2-CD1 4.13Å; F45-I144 HydrophobicContact CE2-CG1 3.67Å; F45-A228 HydrophobicContact CB-CB 3.79Å; F45-A228 HydrophobicContact CG-CB 4.39Å; F45-S230 WeakPolarHBondContact CD1-OG 3.47Å; F45-S230 WeakPolarHBondContact CE1-OG 3.14Å; F45-R231 HydrophobicContact CD2-CG 4.19Å; F45-R231 HydrophobicContact CE2-CG 4.06Å; F45-R231 HydrophobicContact CG-CG 4.48Å; F45-R231 HydrophobicContact CZ-CG 4.26Å; F45-V504 CarbonylContact C-O 3.31Å; F45-V504 WeakPolarHBondContact CA-O 3.42Å; F45-V505 HydrophobicContact CD1-CG1 4.25Å; F45-V505 HydrophobicContact CD1-CG2 3.99Å; F45-V505 HydrophobicContact CE1-CG1 4.08Å; F45-V505 HydrophobicContact CE1-CG2 4.08Å
46R92.6Very high83.9Confident1 Ų141.8 Ų41.80%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-69.3141.5178.4-161.8174.766.4149.23.9109.2Q49 T59 Y141 A191 P229 Y501 G502 G503 V504R46-Q49 VanDerWaalsContact CZ-OE1 3.25Å; R46-Q49 VanDerWaalsContact NH2-OE1 3.15Å; R46-T59 HydrophobicContact CG-CG2 3.6Å; R46-Y141 HydrophobicContact CB-CD1 3.88Å; R46-Y141 HydrophobicContact CB-CE1 3.55Å; R46-Y141 HydrophobicContact CG-CD1 4.24Å; R46-Y141 HydrophobicContact CG-CE1 3.8Å; R46-A191 VanDerWaalsContact NH1-CB 3.32Å; R46-P229 WeakPolarHBondContact O-CD 3.5Å; R46-Y501 PolarHBondContact NH2-O 2.93Å; R46-G502 PolarHBondContact NH2-O 3.3Å; R46-G503 PolarHBondContact NE-O 3.39Å; R46-V504 PolarHBondContact N-O 3.03Å
47L92.2Very high86.2Confident3 Ų339.4 Ų39.42%0.01622%0.221CC..PPolyproline II helixtrans-55.3153.2167.9-90.6146.1000111.4Q49 T59 L131 I140 L227L47-Q49 PolarHBondContact O-N 3.18Å; L47-T59 HydrophobicContact CB-CG2 3.6Å; L47-L131 HydrophobicContact CD2-CB 3.95Å; L47-I140 HydrophobicContact CD1-CB 3.32Å; L47-I140 HydrophobicContact CD1-CD1 4.42Å; L47-I140 HydrophobicContact CD1-CG1 4.42Å; L47-I140 HydrophobicContact CD1-CG2 3.17Å; L47-I140 PolarHBondContact N-O 3.03Å; L47-L227 WeakPolarHBondContact CA-O 3.24Å; L47-L227 HydrophobicContact CD2-CD1 3.37Å; L47-L227 HydrophobicContact CD2-CG 4.01Å; L47-L227 HydrophobicContact CG-CD1 4.4Å
48P90.6Very high87.9Confident1 Ų137 Ų371%0.00620%0.204CC..PPolyproline II helixtrans-57.3137.6177.123.8-32.4000110F50 G58 I132 L225 L227 P229 Q459P48-F50 HydrophobicContact CB-CD1 4.38Å; P48-F50 HydrophobicContact CB-CE1 4.35Å; P48-G58 VanDerWaalsContact O-CA 3.3Å; P48-G58 WeakPolarHBondContact O-CA 3.24Å; P48-I132 HydrophobicContact CG-CG1 4.03Å; P48-I132 HydrophobicContact CG-CG2 4.22Å; P48-L225 HydrophobicContact CB-CD1 4.12Å; P48-L225 HydrophobicContact CG-CD1 4.42Å; P48-L227 VanDerWaalsContact CD-O 3.24Å; P48-L227 WeakPolarHBondContact CD-O 3.5Å; P48-P229 HydrophobicContact CB-CG 4Å; P48-Q459 VanDerWaalsContact CA-NE2 3.33Å; P48-Q459 VanDerWaalsContact CA-OE1 3.26Å; P48-Q459 VanDerWaalsContact CB-NE2 3.31Å
49Q88.5Confident89.2Confident2 Ų231 Ų311%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-126.7121.2172.7-173.7-162.6-13.500109R46 L47 Y57 T59 R60 Q459 Y501R46-Q49 VanDerWaalsContact CZ-OE1 3.25Å; R46-Q49 VanDerWaalsContact NH2-OE1 3.15Å; L47-Q49 PolarHBondContact O-N 3.18Å; Q49-Y57 WeakPolarHBondContact CA-O 3.5Å; Q49-T59 VanDerWaalsContact CB-O 3.27Å; Q49-T59 WeakPolarHBondContact CB-O 3.4Å; Q49-T59 WeakPolarHBondContact CG-O 3.08Å; Q49-T59 PolarHBondContact OE1-O 2.81Å; Q49-T59 VanDerWaalsContact OE1-O 3.14Å; Q49-R60 HydrophobicContact CG-CG 4.34Å; Q49-Q459 PolarHBondContact O-NE2 3.4Å; Q49-Y501 HydrophobicContact CB-CD2 4.2Å; Q49-Y501 HydrophobicContact CB-CG 4.41Å; Q49-Y501 VanDerWaalsContact CD-CD2 3.44Å; Q49-Y501 HydrophobicContact CG-CD2 3.5Å; Q49-Y501 HydrophobicContact CG-CE2 4.12Å; Q49-Y501 HydrophobicContact CG-CG 3.88Å; Q49-Y501 VanDerWaalsContact NE2-CD2 3.27Å; Q49-Y501 PolarHBondContact O-N 3.45Å
50F90.2Very high89.6Confident1 Ų132 Ų320%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-156154.1173.859.4-93.9000111.3P48 L52 Y57 L225 M277 V499P48-F50 HydrophobicContact CB-CD1 4.38Å; P48-F50 HydrophobicContact CB-CE1 4.35Å; F50-L52 HydrophobicContact CD2-CD1 3.95Å; F50-L52 HydrophobicContact CD2-CG 3.82Å; F50-L52 HydrophobicContact CE2-CD1 3.6Å; F50-L52 HydrophobicContact CE2-CG 4.01Å; F50-Y57 AromaticContact CD2-CD2 3.71Å; F50-Y57 HydrophobicContact CD2-CD2 3.71Å; F50-Y57 HydrophobicContact CD2-CG 4.15Å; F50-Y57 HydrophobicContact CE2-CD1 4.48Å; F50-Y57 AromaticContact CE2-CD2 3.3Å; F50-Y57 HydrophobicContact CE2-CD2 3.3Å; F50-Y57 HydrophobicContact CE2-CE2 4.09Å; F50-Y57 AromaticContact CE2-CG 3.52Å; F50-Y57 HydrophobicContact CE2-CG 3.52Å; F50-Y57 HydrophobicContact CZ-CD2 4.11Å; F50-Y57 AromaticContact CZ-CG 3.86Å; F50-Y57 HydrophobicContact CZ-CG 3.86Å; F50-Y57 PolarHBondContact N-O 2.98Å; F50-Y57 PolarHBondContact O-N 3.37Å; F50-L225 HydrophobicContact CE1-CD1 4.04Å; F50-M277 HydrophobicContact CB-CE 3.37Å; F50-M277 HydrophobicContact CB-SD 4.17Å; F50-M277 HydrophobicContact CD1-CE 4.25Å; F50-M277 HydrophobicContact CD1-SD 3.91Å; F50-M277 HydrophobicContact CD2-CE 3.36Å; F50-M277 HydrophobicContact CD2-SD 3.6Å; F50-M277 HydrophobicContact CE1-SD 4.16Å; F50-M277 HydrophobicContact CE2-CE 4.15Å; F50-M277 HydrophobicContact CE2-SD 3.84Å; F50-M277 HydrophobicContact CG-CE 3.4Å; F50-M277 HydrophobicContact CG-SD 3.61Å; F50-M277 HydrophobicContact CZ-SD 4.11Å; F50-V499 CarbonylContact C-O 3.25Å; F50-V499 WeakPolarHBondContact CA-O 3.44Å; F50-V499 WeakPolarHBondContact CB-O 3.46Å
51D90.6Very high89.4Confident13 Ų1329.9 Ų29.97%0.0717%0.166CC..EExtended strand (participates in β ladder)trans-111.2137.4172-55.7-35.8000108.6N55 H56 R60 F498 V499 Y501D51-N55 CarbonylContact C-O 3.49Å; D51-N55 VanDerWaalsContact CA-O 3.24Å; D51-N55 WeakPolarHBondContact CA-O 3.07Å; D51-H56 VanDerWaalsContact CG-ND1 3.29Å; D51-H56 IonicContact OD1-CE1 3.51Å; D51-H56 IonicContact OD1-CG 3.65Å; D51-H56 IonicContact OD1-ND1 3.66Å; D51-H56 PolarHBondContact OD1-ND1 3.47Å; D51-H56 IonicContact OD2-ND1 2.66Å; D51-R60 IonicContact OD1-CZ 2.91Å; D51-R60 IonicContact OD1-NE 3.73Å; D51-R60 IonicContact OD1-NH2 3.38Å; D51-R60 PolarHBondContact OD1-NH2 2.97Å; D51-R60 IonicContact OD2-CZ 2.77Å; D51-R60 IonicContact OD2-NH2 3.59Å; D51-R60 PolarHBondContact OD2-NH2 3.25Å; D51-F498 CarbonylContact O-C 3.52Å; D51-F498 VanDerWaalsContact O-CA 3.23Å; D51-F498 WeakPolarHBondContact O-CA 3.49Å; D51-V499 HydrophobicContact CB-CB 4.03Å; D51-V499 HydrophobicContact CB-CG2 4.2Å; D51-V499 PolarHBondContact N-O 3.39Å; D51-V499 PolarHBondContact O-N 3.49Å; D51-Y501 VanDerWaalsContact OD2-CE2 3.29Å; D51-Y501 WeakPolarHBondContact OD2-CE2 3.41Å; D51-Y501 PolarHBondContact OD2-OH 3.4Å
52L89Confident89.1Confident4 Ų426.6 Ų26.62%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-133.5123.8173.5-69.5173.1000108.4F50 G54 N55 Y57 M277 L280 F498F50-L52 HydrophobicContact CD2-CD1 3.95Å; F50-L52 HydrophobicContact CD2-CG 3.82Å; F50-L52 HydrophobicContact CE2-CD1 3.6Å; F50-L52 HydrophobicContact CE2-CG 4.01Å; L52-G54 PolarHBondContact O-N 3.3Å; L52-G54 VanDerWaalsContact O-N 3.11Å; L52-N55 PolarHBondContact N-O 3.26Å; L52-N55 WeakPolarHBondContact O-CB 3.37Å; L52-N55 PolarHBondContact O-N 2.79Å; L52-Y57 HydrophobicContact CB-CE2 4.16Å; L52-Y57 HydrophobicContact CD1-CE2 4.42Å; L52-M277 HydrophobicContact CD1-CE 4.32Å; L52-M277 HydrophobicContact CD1-SD 4.4Å; L52-M277 HydrophobicContact CD2-CB 4.33Å; L52-M277 HydrophobicContact CD2-CE 3.62Å; L52-M277 HydrophobicContact CG-CE 3.95Å; L52-L280 HydrophobicContact CD2-CD1 3.91Å; L52-F498 HydrophobicContact CD2-CB 3.81Å
53H85.3Confident88.8Confident82 Ų8231.3 Ų31.338%0.3816%0.162SC..THydrogen-bonded Turntrans51.835.4177-57.8-53.3000113.8N55 N278 E497H53-N55 VanDerWaalsContact C-N 3.27Å; H53-N55 PolarHBondContact O-N 3.08Å; H53-N278 PolarHBondContact NE2-ND2 3.18Å; H53-E497 WeakPolarHBondContact CE1-CG 3.43Å; H53-E497 IonicContact CE1-OE1 2.92Å; H53-E497 PolarHBondContact CE1-OE1 3.01Å; H53-E497 VanDerWaalsContact CE1-OE1 3.24Å; H53-E497 PolarHBondContact N-O 3.31Å; H53-E497 IonicContact NE2-OE1 2.75Å
54G84Confident88.5Confident55 Ų5528 Ų2857%0.56714%0.141SC*.THydrogen-bonded Turntrans82.7-12.1-176.500000115.5L52 H56L52-G54 PolarHBondContact O-N 3.3Å; L52-G54 VanDerWaalsContact O-N 3.11Å; G54-H56 PolarHBondContact O-CE1 3.03Å
55N88.3Confident88.2Confident70 Ų7030.5 Ų30.537%0.37415%0.153SC..EExtended strand (participates in β ladder)trans-80.2136.2174.3-65.5-43.7000110.9D51 L52 H53 Y57D51-N55 CarbonylContact C-O 3.49Å; D51-N55 VanDerWaalsContact CA-O 3.24Å; D51-N55 WeakPolarHBondContact CA-O 3.07Å; L52-N55 PolarHBondContact N-O 3.26Å; L52-N55 WeakPolarHBondContact O-CB 3.37Å; L52-N55 PolarHBondContact O-N 2.79Å; H53-N55 VanDerWaalsContact C-N 3.27Å; H53-N55 PolarHBondContact O-N 3.08Å; N55-Y57 HydrophobicContact CB-CE2 3.75Å
56H89.1Confident87.8Confident73 Ų7329.9 Ų29.934%0.33815%0.151SC..EExtended strand (participates in β ladder)trans-102.8125.6-176.3-58.2-32.4000111D51 G54 R60 S135D51-H56 VanDerWaalsContact CG-ND1 3.29Å; D51-H56 IonicContact OD1-CE1 3.51Å; D51-H56 IonicContact OD1-CG 3.65Å; D51-H56 IonicContact OD1-ND1 3.66Å; D51-H56 PolarHBondContact OD1-ND1 3.47Å; D51-H56 IonicContact OD2-ND1 2.66Å; G54-H56 PolarHBondContact O-CE1 3.03Å; H56-R60 PolarHBondContact CD2-NH1 3.03Å; H56-R60 PolarHBondContact CE1-NH2 3.46Å; H56-R60 PolarHBondContact ND1-NH2 3.44Å; H56-R60 PolarHBondContact NE2-NH1 3.17Å; H56-R60 PolarHBondContact NE2-NH2 3.04Å; H56-S135 VanDerWaalsContact CB-OG 3.28Å; H56-S135 WeakPolarHBondContact CB-OG 3.4Å; H56-S135 WeakPolarHBondContact O-CB 3.46Å; H56-S135 PolarHBondContact O-OG 2.89Å
57Y89.4Confident87.5Confident43 Ų4331.5 Ų31.517%0.16916%0.158CC..EExtended strand (participates in β ladder)trans-116.2137.5179.4-62-84.5000111.9Q49 F50 L52 N55Q49-Y57 WeakPolarHBondContact CA-O 3.5Å; F50-Y57 AromaticContact CD2-CD2 3.71Å; F50-Y57 HydrophobicContact CD2-CD2 3.71Å; F50-Y57 HydrophobicContact CD2-CG 4.15Å; F50-Y57 HydrophobicContact CE2-CD1 4.48Å; F50-Y57 AromaticContact CE2-CD2 3.3Å; F50-Y57 HydrophobicContact CE2-CD2 3.3Å; F50-Y57 HydrophobicContact CE2-CE2 4.09Å; F50-Y57 AromaticContact CE2-CG 3.52Å; F50-Y57 HydrophobicContact CE2-CG 3.52Å; F50-Y57 HydrophobicContact CZ-CD2 4.11Å; F50-Y57 AromaticContact CZ-CG 3.86Å; F50-Y57 HydrophobicContact CZ-CG 3.86Å; F50-Y57 PolarHBondContact N-O 2.98Å; F50-Y57 PolarHBondContact O-N 3.37Å; L52-Y57 HydrophobicContact CB-CE2 4.16Å; L52-Y57 HydrophobicContact CD1-CE2 4.42Å; N55-Y57 HydrophobicContact CB-CE2 3.75Å
58G87.8Confident87.3Confident2 Ų231.6 Ų31.62%0.02116%0.159CC..EExtended strand (participates in β ladder)trans69.4-141.3178.600000114.8P48 S134 T136P48-G58 VanDerWaalsContact O-CA 3.3Å; P48-G58 WeakPolarHBondContact O-CA 3.24Å; G58-S134 VanDerWaalsContact CA-O 3.24Å; G58-S134 WeakPolarHBondContact CA-O 3.34Å; G58-S134 PolarHBondContact N-O 3.34Å; G58-T136 PolarHBondContact O-N 2.94Å
59T87.7Confident87.2Confident0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-108124-166175.50000113.9R46 L47 Q49 T136 M138 P139 I140R46-T59 HydrophobicContact CG-CG2 3.6Å; L47-T59 HydrophobicContact CB-CG2 3.6Å; Q49-T59 VanDerWaalsContact CB-O 3.27Å; Q49-T59 WeakPolarHBondContact CB-O 3.4Å; Q49-T59 WeakPolarHBondContact CG-O 3.08Å; Q49-T59 PolarHBondContact OE1-O 2.81Å; Q49-T59 VanDerWaalsContact OE1-O 3.14Å; T59-T136 WeakPolarHBondContact CA-O 3.2Å; T59-M138 PolarHBondContact OG1-O 3.09Å; T59-P139 VanDerWaalsContact OG1-CA 3.27Å; T59-P139 WeakPolarHBondContact OG1-CA 3.4Å; T59-I140 PolarHBondContact OG1-N 2.94Å
60R82.3Confident87Confident84 Ų8433 Ų3332%0.31717%0.168SC..  trans-85.9-31.7175.5-61.3-167151.3-179.4-16.7114.6Q49 D51 H56 T136Q49-R60 HydrophobicContact CG-CG 4.34Å; D51-R60 IonicContact OD1-CZ 2.91Å; D51-R60 IonicContact OD1-NE 3.73Å; D51-R60 IonicContact OD1-NH2 3.38Å; D51-R60 PolarHBondContact OD1-NH2 2.97Å; D51-R60 IonicContact OD2-CZ 2.77Å; D51-R60 IonicContact OD2-NH2 3.59Å; D51-R60 PolarHBondContact OD2-NH2 3.25Å; H56-R60 PolarHBondContact CD2-NH1 3.03Å; H56-R60 PolarHBondContact CE1-NH2 3.46Å; H56-R60 PolarHBondContact ND1-NH2 3.44Å; H56-R60 PolarHBondContact NE2-NH1 3.17Å; H56-R60 PolarHBondContact NE2-NH2 3.04Å; R60-T136 PolarHBondContact N-O 3.13Å
61G83.9Confident86.5Confident12 Ų1235.4 Ų35.412%0.12418%0.183CC..  trans-70.1148.4-177.800000112.8S137 P139G61-S137 WeakPolarHBondContact CA-O 3.11Å; G61-S137 PolarHBondContact N-O 3.18Å; G61-S137 VanDerWaalsContact N-O 3.13Å; G61-P139 WeakPolarHBondContact O-CB 3.42Å
62R84.3Confident85.6Confident12 Ų1237.4 Ų37.45%0.04519%0.194CC..  trans-120-34.7171.4-66-177.174.3-168.33.8113.9V64 Y141 Q188 L189 V190R62-V64 PolarHBondContact O-N 3.43Å; R62-Y141 WeakPolarHBondContact CA-OH 3.38Å; R62-Y141 WeakPolarHBondContact O-CE2 3.37Å; R62-Y141 PolarHBondContact O-OH 3.16Å; R62-Q188 WeakPolarHBondContact CB-O 3.45Å; R62-L189 PolarHBondContact N-O 3.45Å; R62-V190 PolarHBondContact NH1-O 3.45Å
63R86.4Confident84.4Confident115 Ų11542 Ų4243%0.43423%0.226SC..  trans-74.8119.6-169.6-177.5179.6178178.82.3111.5L189R63-L189 HydrophobicContact CB-CD2 3.88Å; R63-L189 HydrophobicContact CG-CD2 4.49Å
64V87.7Confident83.1Confident0 Ų039.4 Ų39.40%022%0.217CC..  trans-100.8123.5168.7-177.20000108R62 C81 A104 Y141 L182 V183 S184 I508R62-V64 PolarHBondContact O-N 3.43Å; V64-C81 HydrophobicContact CG1-CB 4.33Å; V64-A104 HydrophobicContact CB-CB 4.31Å; V64-A104 HydrophobicContact CG1-CB 3.95Å; V64-A104 HydrophobicContact CG2-CB 3.85Å; V64-Y141 HydrophobicContact CG2-CD2 3.77Å; V64-Y141 HydrophobicContact CG2-CE2 3.47Å; V64-Y141 VanDerWaalsContact CG2-CE2 3.47Å; V64-L182 HydrophobicContact CG1-CB 3.94Å; V64-V183 VanDerWaalsContact O-CA 3.31Å; V64-V183 WeakPolarHBondContact O-CA 3.33Å; V64-S184 PolarHBondContact N-OG 2.84Å; V64-S184 VanDerWaalsContact N-OG 3.08Å; V64-S184 PolarHBondContact O-N 3.41Å; V64-I508 HydrophobicContact CG2-CD1 4.47Å
65H88.3Confident81.5Confident53 Ų5341.4 Ų41.425%0.24522%0.223CC..EExtended strand (participates in β ladder)trans-152.995.5171.7-169.6107.8000109.9K181 L182H65-K181 PolarHBondContact CE1-NZ 2.89Å; H65-K181 WeakPolarHBondContact NE2-CE 3.47Å; H65-K181 PolarHBondContact NE2-NZ 3.34Å; H65-L182 WeakPolarHBondContact CA-O 3.44Å
66G86Confident80Confident2 Ų240.1 Ų40.12%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-169.5163.3-179.100000113.1R79 K181 L182G66-R79 CarbonylContact C-O 3.6Å; G66-R79 WeakPolarHBondContact CA-O 3.48Å; G66-K181 WeakPolarHBondContact O-CA 3.26Å; G66-L182 PolarHBondContact N-O 3.03Å; G66-L182 PolarHBondContact O-N 2.81Å
67E85.5Confident78.7Confident35 Ų3541.1 Ų41.116%0.16425%0.249CC..EExtended strand (participates in β ladder)trans-73.3140.1168.5-177.5172.3-155.200110.2V78 R79 R80 C81 K159 S179E67-V78 HydrophobicContact CB-CG1 4.3Å; E67-R79 PolarHBondContact N-O 3.41Å; E67-R80 CarbonylContact O-C 3.59Å; E67-R80 VanDerWaalsContact O-CA 3.24Å; E67-R80 WeakPolarHBondContact O-CA 3.19Å; E67-C81 PolarHBondContact O-N 2.95Å; E67-K159 IonicContact OE1-NZ 3.6Å; E67-K159 PolarHBondContact OE1-NZ 3.11Å; E67-K159 IonicContact OE2-NZ 3.47Å; E67-S179 WeakPolarHBondContact OE1-CB 3.38Å; E67-S179 PolarHBondContact OE1-OG 2.9Å
68V88.9Confident77.6Confident5 Ų542.7 Ų42.73%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-73.4130.3179.4-173.90000111.3C81 L83 I152 A156 Y180 L182V68-C81 WeakPolarHBondContact CA-O 3.14Å; V68-L83 HydrophobicContact CG1-CB 3.65Å; V68-L83 HydrophobicContact CG1-CD2 4.16Å; V68-I152 HydrophobicContact CB-CG2 4.27Å; V68-I152 HydrophobicContact CG1-CG2 3.99Å; V68-I152 HydrophobicContact CG2-CG2 3.95Å; V68-A156 HydrophobicContact CG1-CB 3.85Å; V68-Y180 PolarHBondContact N-O 3.47Å; V68-L182 HydrophobicContact CG2-CD1 3.52Å; V68-L182 HydrophobicContact CG2-CD2 3.89Å; V68-L182 HydrophobicContact CG2-CG 3.35Å
69T87.1Confident76.9Confident11 Ų1150.4 Ų50.47%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-128.8156.6166.4580000110.1R80 C81 L82 L83T69-R80 HydrophobicContact CG2-CB 4.33Å; T69-R80 HydrophobicContact CG2-CG 3.85Å; T69-C81 PolarHBondContact N-O 2.76Å; T69-L82 WeakPolarHBondContact O-CA 3.2Å; T69-L83 PolarHBondContact O-N 3.14Å
70S84.6Confident76.7Confident20 Ų2052 Ų5214%0.1430%0.297CS..SBendtrans-106.1-15176.965.50000113.3S157 D160S70-S157 WeakPolarHBondContact CB-OG 3.49Å; S70-S157 VanDerWaalsContact OG-CA 3.27Å; S70-S157 WeakPolarHBondContact OG-CA 3.35Å; S70-S157 PolarHBondContact OG-OG 3.15Å; S70-D160 WeakPolarHBondContact CA-OD2 3.38Å; S70-D160 PolarHBondContact N-OD2 2.78Å; S70-D160 PolarHBondContact OG-OD2 2.85Å
71T81.2Confident77Confident52 Ų5248 Ų4832%0.31928%0.282SS..  trans-126.1153.7-178.359.90000111.7D160T71-D160 HydrophobicContact CG2-CB 4.13Å; T71-D160 PolarHBondContact N-OD2 3.3Å; T71-D160 WeakPolarHBondContact OG1-CB 3.42Å; T71-D160 VanDerWaalsContact OG1-CG 3.24Å; T71-D160 PolarHBondContact OG1-OD2 2.87Å
72L71.9Confident77.4Confident56 Ų5647.6 Ų47.629%0.29328%0.277SS..SBendtrans-79.3-23.7178.4-151.565.8000112.9S74 E96 L97 S100L72-S74 VanDerWaalsContact C-N 3.25Å; L72-S74 PolarHBondContact O-N 3.38Å; L72-S74 VanDerWaalsContact O-N 3.09Å; L72-E96 HydrophobicContact CD2-CG 4.13Å; L72-L97 HydrophobicContact CD1-CD2 3.93Å; L72-L97 HydrophobicContact CD2-CD2 4.42Å; L72-S100 WeakPolarHBondContact CD1-OG 3.22Å
73S63.4Low77.9Confident101 Ų10147 Ų4771%0.70628%0.275SS*.  trans-75.72.3-162.360.80000116.1
74S56.7Low78.2Confident27 Ų2742.1 Ų42.119%0.18926%0.257CS..  trans-82127.5178.555.80000109.4L72 R80L72-S74 VanDerWaalsContact C-N 3.25Å; L72-S74 PolarHBondContact O-N 3.38Å; L72-S74 VanDerWaalsContact O-N 3.09Å; S74-R80 PolarHBondContact O-NH1 2.76Å; S74-R80 PolarHBondContact O-NH2 2.84Å; S74-R80 PolarHBondContact OG-NE 2.88Å; S74-R80 PolarHBondContact OG-NH1 2.94Å; S74-R80 VanDerWaalsContact OG-NH1 3.16Å; S74-R80 PolarHBondContact OG-NH2 3.46Å
75S51.8Low78.5Confident97 Ų9745.4 Ų45.468%0.67827%0.27SS*.  trans-104.543.4-178660000113.8R164S75-R164 PolarHBondContact OG-NH2 3.3Å
76S56.6Low78.7Confident43 Ų4343.4 Ų43.430%0.30126%0.26SS..  trans-103.4134.4178.364.60000109.6V78 R80S76-V78 PolarHBondContact O-N 2.94Å; S76-R80 PolarHBondContact O-NH2 2.91Å; S76-R80 VanDerWaalsContact O-NH2 3.08Å; S76-R80 PolarHBondContact OG-NH2 3Å
77G60.9Low79Confident93 Ų9348.7 Ų48.796%0.95928%0.284SS*.SBendtrans-67.220.9-177.700000115.6
78V66.4Low79.1Confident77 Ų7751.8 Ų51.847%0.46730%0.302SS..SBendtrans-83.4135.9175.7-176.90000108.3E67 S76 R80E67-V78 HydrophobicContact CB-CG1 4.3Å; S76-V78 PolarHBondContact O-N 2.94Å; V78-R80 WeakPolarHBondContact O-CG 3.44Å; V78-R80 PolarHBondContact O-N 3.13Å
79R73.4Confident79.1Confident163 Ų16351.9 Ų51.962%0.61530%0.302SS*.  trans-61.9119.2171.3-78.7-174.9-175.7-174.11.6110.1G66 E67 V103G66-R79 CarbonylContact C-O 3.6Å; G66-R79 WeakPolarHBondContact CA-O 3.48Å; E67-R79 PolarHBondContact N-O 3.41Å; R79-V103 HydrophobicContact CB-CG2 3.66Å; R79-V103 HydrophobicContact CG-CG2 3.8Å
80R83.1Confident79.1Confident34 Ų3454.6 Ų54.613%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-116.7149.4-176-68.1166.4-160.1153.2-15.7113.2E67 T69 S74 S76 V78 V103E67-R80 CarbonylContact O-C 3.59Å; E67-R80 VanDerWaalsContact O-CA 3.24Å; E67-R80 WeakPolarHBondContact O-CA 3.19Å; T69-R80 HydrophobicContact CG2-CB 4.33Å; T69-R80 HydrophobicContact CG2-CG 3.85Å; S74-R80 PolarHBondContact O-NH1 2.76Å; S74-R80 PolarHBondContact O-NH2 2.84Å; S74-R80 PolarHBondContact OG-NE 2.88Å; S74-R80 PolarHBondContact OG-NH1 2.94Å; S74-R80 VanDerWaalsContact OG-NH1 3.16Å; S74-R80 PolarHBondContact OG-NH2 3.46Å; S76-R80 PolarHBondContact O-NH2 2.91Å; S76-R80 VanDerWaalsContact O-NH2 3.08Å; S76-R80 PolarHBondContact OG-NH2 3Å; V78-R80 WeakPolarHBondContact O-CG 3.44Å; V78-R80 PolarHBondContact O-N 3.13Å; R80-V103 WeakPolarHBondContact O-CB 3.42Å; R80-V103 PolarHBondContact O-N 3.13Å
81C90Very high79.4Confident0 Ų055.8 Ų55.80%033%0.326CS..EExtended strand (participates in β ladder)trans-112.2120.3168.2-177.60000108V64 E67 V68 T69 A104 I106 L182V64-C81 HydrophobicContact CG1-CB 4.33Å; E67-C81 PolarHBondContact O-N 2.95Å; V68-C81 WeakPolarHBondContact CA-O 3.14Å; T69-C81 PolarHBondContact N-O 2.76Å; C81-A104 CarbonylContact C-O 3.57Å; C81-A104 WeakPolarHBondContact CA-O 3.31Å; C81-I106 VanDerWaalsContact SG-CD1 3.53Å; C81-L182 HydrophobicContact CB-CD1 4.49Å
82L91.8Very high79.8Confident4 Ų460.3 Ų60.32%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-80.1122.1177.5-177.268.2000109T69 I84 L97 A104 I105 I106T69-L82 WeakPolarHBondContact O-CA 3.2Å; L82-I84 HydrophobicContact CG-CB 4.44Å; L82-L97 HydrophobicContact CD2-CD2 3.32Å; L82-A104 PolarHBondContact N-O 3.49Å; L82-I105 HydrophobicContact CB-CG1 4.24Å; L82-I105 HydrophobicContact CD2-CD1 4.45Å; L82-I105 HydrophobicContact CD2-CG1 4.32Å; L82-I105 HydrophobicContact CD2-CG2 4.4Å; L82-I105 CarbonylContact O-C 3.57Å; L82-I105 WeakPolarHBondContact O-CA 3.41Å; L82-I106 PolarHBondContact O-N 3.45Å
83L93.4Very high80.6Confident0 Ų060.1 Ų60.10%035%0.345CS..EExtended strand (participates in β ladder)trans-111.3116.7170.6-176.569.3000107.8V68 T69 I106 V108 V149 I152 L153V68-L83 HydrophobicContact CG1-CB 3.65Å; V68-L83 HydrophobicContact CG1-CD2 4.16Å; T69-L83 PolarHBondContact O-N 3.14Å; L83-I106 WeakPolarHBondContact CA-O 3.41Å; L83-I106 HydrophobicContact CD1-CB 3.63Å; L83-I106 HydrophobicContact CD1-CD1 4.49Å; L83-I106 HydrophobicContact CD1-CG2 3.49Å; L83-I106 VanDerWaalsContact CD1-CG2 3.49Å; L83-V108 HydrophobicContact CD1-CG2 3.51Å; L83-V108 HydrophobicContact CG-CG2 4.07Å; L83-V149 HydrophobicContact CD1-CG1 4.44Å; L83-V149 HydrophobicContact CD2-CG1 4.41Å; L83-I152 HydrophobicContact CD2-CB 4.27Å; L83-I152 HydrophobicContact CD2-CG2 3.8Å; L83-L153 HydrophobicContact CB-CD1 4.31Å; L83-L153 HydrophobicContact CD2-CB 3.97Å; L83-L153 HydrophobicContact CD2-CD1 4.17Å; L83-L153 HydrophobicContact CG-CD1 4.03Å; L83-L153 WeakPolarHBondContact O-CD1 3.5Å
84I93.1Very high81.8Confident12 Ų1255.4 Ų55.46%0.06231%0.313CS..EExtended strand (participates in β ladder)trans-136143-172.2-166.4168.2000111.1L82 N88 F93 I105 I106 V107 V108L82-I84 HydrophobicContact CG-CB 4.44Å; I84-N88 HydrophobicContact CD1-CB 4.02Å; I84-N88 HydrophobicContact CG1-CB 3.9Å; I84-F93 HydrophobicContact CD1-CE1 4.41Å; I84-I105 HydrophobicContact CG2-CG2 4.48Å; I84-I106 PolarHBondContact N-O 3.31Å; I84-V107 HydrophobicContact CG2-CG2 4.34Å; I84-V107 CarbonylContact O-C 3.55Å; I84-V107 WeakPolarHBondContact O-CA 3.47Å; I84-V108 PolarHBondContact O-N 2.97Å
85W93.9Very high83.4Confident69 Ų6958.1 Ų58.126%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-69.2140167.6-75.1118.9000110.3Q87 N88 V108 D145 R150 L153W85-Q87 PolarHBondContact O-N 3.5Å; W85-N88 PolarHBondContact O-N 2.84Å; W85-V108 HydrophobicContact CD2-CB 4.32Å; W85-V108 HydrophobicContact CD2-CG1 4.49Å; W85-V108 HydrophobicContact CE3-CB 3.71Å; W85-V108 HydrophobicContact CE3-CG1 3.65Å; W85-V108 HydrophobicContact CH2-CG1 3.89Å; W85-V108 HydrophobicContact CZ3-CB 3.95Å; W85-V108 HydrophobicContact CZ3-CG1 3.32Å; W85-D145 HydrophobicContact CH2-CB 4.15Å; W85-D145 WeakPolarHBondContact CH2-OD1 3.32Å; W85-D145 HydrophobicContact CZ3-CB 4.09Å; W85-R150 HydrophobicContact CH2-CG 4.16Å; W85-R150 HydrophobicContact CZ2-CG 4.09Å; W85-L153 HydrophobicContact CD2-CD2 3.98Å; W85-L153 HydrophobicContact CG-CD2 3.91Å; W85-L153 HydrophobicContact CZ2-CD2 4.02Å
86W93.3Very high85.1Confident10 Ų1058.6 Ų58.64%0.03832%0.321CS..G310 helixtrans-56.7-32.4176.378.6-86.5000113.1N88 L89 V107 V108 I109 P110 L116 E120 F124 M127W86-N88 PolarHBondContact O-N 3.42Å; W86-L89 VanDerWaalsContact O-CB 3.28Å; W86-L89 WeakPolarHBondContact O-CB 3.44Å; W86-L89 PolarHBondContact O-N 3.33Å; W86-V107 HydrophobicContact CB-CG1 3.71Å; W86-V108 VanDerWaalsContact CD1-O 3.31Å; W86-V108 PolarHBondContact N-O 3.36Å; W86-I109 HydrophobicContact CB-CG2 4.14Å; W86-I109 HydrophobicContact CG-CG2 4.37Å; W86-P110 VanDerWaalsContact NE1-CD 3.35Å; W86-L116 HydrophobicContact CH2-CD2 4.31Å; W86-L116 HydrophobicContact CZ2-CD2 3.6Å; W86-E120 HydrophobicContact CH2-CB 3.84Å; W86-E120 HydrophobicContact CH2-CG 4.16Å; W86-E120 HydrophobicContact CZ2-CB 4.38Å; W86-F124 AromaticContact CD2-CD2 3.78Å; W86-F124 HydrophobicContact CD2-CD2 3.78Å; W86-F124 HydrophobicContact CD2-CE2 4.28Å; W86-F124 HydrophobicContact CE3-CB 4.28Å; W86-F124 AromaticContact CE3-CD2 3.62Å; W86-F124 HydrophobicContact CE3-CD2 3.62Å; W86-F124 HydrophobicContact CE3-CE2 4.45Å; W86-F124 HydrophobicContact CE3-CG 4.41Å; W86-F124 HydrophobicContact CG-CD2 4.37Å; W86-F124 HydrophobicContact CG-CE2 4.42Å; W86-F124 HydrophobicContact CH2-CB 4.25Å; W86-F124 HydrophobicContact CH2-CD2 4.35Å; W86-F124 HydrophobicContact CZ3-CB 3.8Å; W86-F124 AromaticContact CZ3-CD2 3.92Å; W86-F124 HydrophobicContact CZ3-CD2 3.92Å; W86-F124 HydrophobicContact CZ3-CG 4.38Å; W86-M127 HydrophobicContact CB-CE 4.28Å; W86-M127 HydrophobicContact CE3-CE 4.32Å
87Q91.4Very high86.5Confident113 Ų11356.7 Ų56.753%0.52831%0.307SS..G310 helixtrans-62.3-24.7176.3-69.3175.6-20.200113.1W85 L89 E120W85-Q87 PolarHBondContact O-N 3.5Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-E120 PolarHBondContact NE2-OE1 3.43Å; Q87-E120 VanDerWaalsContact NE2-OE1 3.07Å
88N88.5Confident87.7Confident101 Ų10154.3 Ų54.354%0.5427%0.272SS..G310 helixtrans-92.913.3177.7-63.5-11.6000112.1I84 W85 W86 P90I84-N88 HydrophobicContact CD1-CB 4.02Å; I84-N88 HydrophobicContact CG1-CB 3.9Å; W85-N88 PolarHBondContact O-N 2.84Å; W86-N88 PolarHBondContact O-N 3.42Å; N88-P90 VanDerWaalsContact O-CD 3.23Å; N88-P90 WeakPolarHBondContact O-CD 3.49Å
89L88.3Confident88.6Confident6 Ų655 Ų553%0.03128%0.28CS..  trans-116.669.2-176.6-167.174.1000110.9W86 Q87 F93 I94 L97 V107 M127 L131W86-L89 VanDerWaalsContact O-CB 3.28Å; W86-L89 WeakPolarHBondContact O-CB 3.44Å; W86-L89 PolarHBondContact O-N 3.33Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; L89-F93 HydrophobicContact CD1-CD1 4.43Å; L89-I94 HydrophobicContact CD1-CG1 4.31Å; L89-I94 HydrophobicContact CD2-CG1 4.39Å; L89-I94 HydrophobicContact CG-CG1 4.06Å; L89-L97 HydrophobicContact CD1-CD1 3.01Å; L89-L97 HydrophobicContact CD1-CG 4.5Å; L89-L97 HydrophobicContact CG-CD1 4.48Å; L89-V107 HydrophobicContact CD2-CG1 4.27Å; L89-V107 HydrophobicContact CD2-CG2 3.96Å; L89-M127 HydrophobicContact CD2-CG 3.83Å; L89-M127 HydrophobicContact CD2-SD 4.12Å; L89-M127 HydrophobicContact CG-CG 4.33Å; L89-L131 HydrophobicContact CD2-CD1 4.1Å
90P88.4Confident89.1Confident68 Ų6848.2 Ų48.244%0.44226%0.258SS..  trans-64.8151.5172.629.4-33.4000110.1N88 D92 F93N88-P90 VanDerWaalsContact O-CD 3.23Å; N88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-D92 VanDerWaalsContact C-N 3.26Å; P90-D92 PolarHBondContact O-N 3.19Å; P90-F93 HydrophobicContact CG-CB 3.81Å; P90-F93 WeakPolarHBondContact O-CB 3.02Å; P90-F93 PolarHBondContact O-N 3.26Å
91V89.3Confident89Confident45 Ų4554.8 Ų54.827%0.27330%0.295SS..G310 helixtrans-54.4-42.6-175.41760000112.1F93 I94 P95 E126 T130V91-F93 PolarHBondContact O-N 2.87Å; V91-F93 VanDerWaalsContact O-N 3.16Å; V91-I94 WeakPolarHBondContact O-CB 3.15Å; V91-I94 PolarHBondContact O-N 2.79Å; V91-I94 VanDerWaalsContact O-N 3.13Å; V91-P95 WeakPolarHBondContact O-CD 3.4Å; V91-E126 HydrophobicContact CG2-CB 3.76Å; V91-T130 HydrophobicContact CG1-CG2 4.12Å; V91-T130 WeakPolarHBondContact CG1-OG1 3.24Å
92D89.7Confident88.8Confident148 Ų14855.7 Ų55.779%0.79130%0.303SS*.G310 helixtrans-63.2-22.9-179.1-59.3-33.1000113.5P90P90-D92 VanDerWaalsContact C-N 3.26Å; P90-D92 PolarHBondContact O-N 3.19Å
93F89.4Confident88.7Confident51 Ų5157.4 Ų57.422%0.22431%0.314CS..G310 helixtrans-87.8-16.3-179.5-171.7-126.8000112.9I84 L89 P90 V91 E96 L97I84-F93 HydrophobicContact CD1-CE1 4.41Å; L89-F93 HydrophobicContact CD1-CD1 4.43Å; P90-F93 HydrophobicContact CG-CB 3.81Å; P90-F93 WeakPolarHBondContact O-CB 3.02Å; P90-F93 PolarHBondContact O-N 3.26Å; V91-F93 PolarHBondContact O-N 2.87Å; V91-F93 VanDerWaalsContact O-N 3.16Å; F93-E96 HydrophobicContact CD2-CB 4.13Å; F93-E96 WeakPolarHBondContact CD2-OE2 3.43Å; F93-E96 HydrophobicContact CE2-CB 4.36Å; F93-E96 HydrophobicContact CE2-CG 4.3Å; F93-E96 WeakPolarHBondContact CE2-OE2 3.37Å; F93-E96 PolarHBondContact O-N 3.15Å; F93-L97 HydrophobicContact CD1-CD1 3.36Å; F93-L97 HydrophobicContact CD1-CD2 4.18Å; F93-L97 HydrophobicContact CD1-CG 3.59Å; F93-L97 HydrophobicContact CD2-CG 4.48Å; F93-L97 HydrophobicContact CE1-CD1 3.43Å; F93-L97 VanDerWaalsContact CE1-CD1 3.43Å; F93-L97 HydrophobicContact CE1-CD2 3.43Å; F93-L97 VanDerWaalsContact CE1-CD2 3.43Å; F93-L97 HydrophobicContact CE1-CG 3.37Å; F93-L97 HydrophobicContact CE2-CD2 4.43Å; F93-L97 HydrophobicContact CE2-CG 4.3Å; F93-L97 HydrophobicContact CG-CD1 4.21Å; F93-L97 HydrophobicContact CG-CG 4.14Å; F93-L97 HydrophobicContact CZ-CD1 4.31Å; F93-L97 HydrophobicContact CZ-CD2 3.57Å; F93-L97 HydrophobicContact CZ-CG 3.75Å; F93-L97 WeakPolarHBondContact O-CB 3.26Å; F93-L97 WeakPolarHBondContact O-CG 3.42Å; F93-L97 PolarHBondContact O-N 3.43Å
94I89.4Confident88.6Confident3 Ų357.4 Ų57.42%0.01531%0.314CS..Hα-helixtrans-60.6-46.1-178.7-64.1170.8000112.2L89 V91 E96 L97 I98 M127 T130 L131L89-I94 HydrophobicContact CD1-CG1 4.31Å; L89-I94 HydrophobicContact CD2-CG1 4.39Å; L89-I94 HydrophobicContact CG-CG1 4.06Å; V91-I94 WeakPolarHBondContact O-CB 3.15Å; V91-I94 PolarHBondContact O-N 2.79Å; V91-I94 VanDerWaalsContact O-N 3.13Å; I94-E96 VanDerWaalsContact C-N 3.34Å; I94-E96 PolarHBondContact O-N 3.38Å; I94-L97 PolarHBondContact O-N 2.91Å; I94-I98 HydrophobicContact CG2-CD1 3.69Å; I94-I98 HydrophobicContact CG2-CG1 4.32Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 3.01Å; I94-M127 HydrophobicContact CD1-CG 4.19Å; I94-T130 HydrophobicContact CB-CG2 4.29Å; I94-T130 HydrophobicContact CD1-CG2 3.75Å; I94-T130 HydrophobicContact CG2-CG2 4.14Å; I94-L131 HydrophobicContact CD1-CD2 4.24Å; I94-L131 HydrophobicContact CD1-CG 4.16Å; I94-L131 HydrophobicContact CG1-CD2 4.42Å; I94-L131 HydrophobicContact CG2-CD2 3.72Å
95P89.6Confident88.6Confident83 Ų8357 Ų5754%0.53931%0.312SS..Hα-helixtrans-60.7-41.3176.9-2434.9000112.9V91 L97 I98 S99V91-P95 WeakPolarHBondContact O-CD 3.4Å; P95-L97 VanDerWaalsContact C-N 3.35Å; P95-L97 PolarHBondContact O-N 3.28Å; P95-I98 PolarHBondContact O-N 3.09Å; P95-S99 WeakPolarHBondContact O-CB 3.13Å; P95-S99 PolarHBondContact O-N 3.38Å; P95-S99 PolarHBondContact O-OG 2.97Å
96E87.6Confident88.6Confident107 Ų10753.8 Ų53.850%0.530%0.299SS..Hα-helixtrans-62.3-44.5177.2-171.5-177.4166.800110.7L72 F93 I94 I98 S99 S100L72-E96 HydrophobicContact CD2-CG 4.13Å; F93-E96 HydrophobicContact CD2-CB 4.13Å; F93-E96 WeakPolarHBondContact CD2-OE2 3.43Å; F93-E96 HydrophobicContact CE2-CB 4.36Å; F93-E96 HydrophobicContact CE2-CG 4.3Å; F93-E96 WeakPolarHBondContact CE2-OE2 3.37Å; F93-E96 PolarHBondContact O-N 3.15Å; I94-E96 VanDerWaalsContact C-N 3.34Å; I94-E96 PolarHBondContact O-N 3.38Å; E96-I98 PolarHBondContact O-N 3.02Å; E96-S99 WeakPolarHBondContact CA-OG 3.47Å; E96-S99 PolarHBondContact O-N 3.03Å; E96-S99 PolarHBondContact O-OG 3.08Å; E96-S100 PolarHBondContact O-N 3.41Å; E96-S100 VanDerWaalsContact O-N 3.11Å
97L85.9Confident88.7Confident4 Ų453.3 Ų53.32%0.02130%0.298CS..Hα-helixtrans-62.7-42.1176.6-77.6176.9000113.5L72 L82 L89 F93 I94 P95 S99 S100 I105L72-L97 HydrophobicContact CD1-CD2 3.93Å; L72-L97 HydrophobicContact CD2-CD2 4.42Å; L82-L97 HydrophobicContact CD2-CD2 3.32Å; L89-L97 HydrophobicContact CD1-CD1 3.01Å; L89-L97 HydrophobicContact CD1-CG 4.5Å; L89-L97 HydrophobicContact CG-CD1 4.48Å; F93-L97 HydrophobicContact CD1-CD1 3.36Å; F93-L97 HydrophobicContact CD1-CD2 4.18Å; F93-L97 HydrophobicContact CD1-CG 3.59Å; F93-L97 HydrophobicContact CD2-CG 4.48Å; F93-L97 HydrophobicContact CE1-CD1 3.43Å; F93-L97 VanDerWaalsContact CE1-CD1 3.43Å; F93-L97 HydrophobicContact CE1-CD2 3.43Å; F93-L97 VanDerWaalsContact CE1-CD2 3.43Å; F93-L97 HydrophobicContact CE1-CG 3.37Å; F93-L97 HydrophobicContact CE2-CD2 4.43Å; F93-L97 HydrophobicContact CE2-CG 4.3Å; F93-L97 HydrophobicContact CG-CD1 4.21Å; F93-L97 HydrophobicContact CG-CG 4.14Å; F93-L97 HydrophobicContact CZ-CD1 4.31Å; F93-L97 HydrophobicContact CZ-CD2 3.57Å; F93-L97 HydrophobicContact CZ-CG 3.75Å; F93-L97 WeakPolarHBondContact O-CB 3.26Å; F93-L97 WeakPolarHBondContact O-CG 3.42Å; F93-L97 PolarHBondContact O-N 3.43Å; I94-L97 PolarHBondContact O-N 2.91Å; P95-L97 VanDerWaalsContact C-N 3.35Å; P95-L97 PolarHBondContact O-N 3.28Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S100 VanDerWaalsContact O-CB 3.28Å; L97-S100 WeakPolarHBondContact O-CB 3.43Å; L97-S100 PolarHBondContact O-N 3.35Å; L97-S100 PolarHBondContact O-OG 2.7Å; L97-I105 HydrophobicContact CB-CD1 3.96Å
98I86.5Confident88.9Confident42 Ų4248 Ų4822%0.21527%0.273CS..Hα-helixtrans-66.1-36.6177-68.7169.9000110.7I94 P95 E96 S100 I140I94-I98 HydrophobicContact CG2-CD1 3.69Å; I94-I98 HydrophobicContact CG2-CG1 4.32Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 3.01Å; P95-I98 PolarHBondContact O-N 3.09Å; E96-I98 PolarHBondContact O-N 3.02Å; I98-S100 PolarHBondContact O-N 3Å; I98-I140 HydrophobicContact CG1-CD1 4.33Å
99S85.6Confident89.2Confident92 Ų9243.3 Ų43.364%0.64325%0.248SC*.Hα-helixtrans-74-10.1176.876.10000114.1P95 E96 L97P95-S99 WeakPolarHBondContact O-CB 3.13Å; P95-S99 PolarHBondContact O-N 3.38Å; P95-S99 PolarHBondContact O-OG 2.97Å; E96-S99 WeakPolarHBondContact CA-OG 3.47Å; E96-S99 PolarHBondContact O-N 3.03Å; E96-S99 PolarHBondContact O-OG 3.08Å; L97-S99 VanDerWaalsContact C-N 3.3Å
100S82.5Confident89.5Confident20 Ų2044.2 Ų44.214%0.1425%0.254CS..SBendtrans-72.2156.1-176.679.40000113L72 E96 L97 I98 A102L72-S100 WeakPolarHBondContact CD1-OG 3.22Å; E96-S100 PolarHBondContact O-N 3.41Å; E96-S100 VanDerWaalsContact O-N 3.11Å; L97-S100 VanDerWaalsContact O-CB 3.28Å; L97-S100 WeakPolarHBondContact O-CB 3.43Å; L97-S100 PolarHBondContact O-N 3.35Å; L97-S100 PolarHBondContact O-OG 2.7Å; I98-S100 PolarHBondContact O-N 3Å; S100-A102 PolarHBondContact O-N 2.93Å; S100-A102 WeakPolarHBondContact OG-CB 3.24Å; S100-A102 PolarHBondContact OG-N 2.88Å
101N82.4Confident89.6Confident172 Ų17244.6 Ų44.692%0.9226%0.263SS*.  trans-75.623.3174.4-76.5-26.3000113.6
102A85.9Confident89.6Confident20 Ų2045.5 Ų45.517%0.16527%0.266CS..  trans-68145.8173.900000110.4S100 M138S100-A102 PolarHBondContact O-N 2.93Å; S100-A102 WeakPolarHBondContact OG-CB 3.24Å; S100-A102 PolarHBondContact OG-N 2.88Å; A102-M138 HydrophobicContact CB-SD 3.8Å
103V87.9Confident89.6Confident39 Ų3939.5 Ų39.524%0.23623%0.234CC..SBendtrans-81.6-31.5175.6177.60000111.2R79 R80 P139R79-V103 HydrophobicContact CB-CG2 3.66Å; R79-V103 HydrophobicContact CG-CG2 3.8Å; R80-V103 WeakPolarHBondContact O-CB 3.42Å; R80-V103 PolarHBondContact O-N 3.13Å; V103-P139 VanDerWaalsContact O-CD 3.27Å; V103-P139 WeakPolarHBondContact O-CD 3.44Å; V103-P139 VanDerWaalsContact O-CG 3.25Å; V103-P139 WeakPolarHBondContact O-CG 3.19Å
104A91.6Very high89.6Confident0 Ų044.7 Ų44.70%025%0.252CS..EExtended strand (participates in β ladder)trans-158.9150.9179.200000109.9V64 C81 L82 P139V64-A104 HydrophobicContact CB-CB 4.31Å; V64-A104 HydrophobicContact CG1-CB 3.95Å; V64-A104 HydrophobicContact CG2-CB 3.85Å; C81-A104 CarbonylContact C-O 3.57Å; C81-A104 WeakPolarHBondContact CA-O 3.31Å; L82-A104 PolarHBondContact N-O 3.49Å; A104-P139 VanDerWaalsContact CA-O 3.29Å; A104-P139 WeakPolarHBondContact CA-O 3.06Å; A104-P139 HydrophobicContact CB-CB 4.38Å; A104-P139 HydrophobicContact CB-CG 3.74Å
105I92.9Very high89.6Confident5 Ų548.7 Ų48.73%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-115.9134.1170.9-59.5179.5000108.7L82 I84 L97 V107 M138 P139 I140 Y141L82-I105 HydrophobicContact CB-CG1 4.24Å; L82-I105 HydrophobicContact CD2-CD1 4.45Å; L82-I105 HydrophobicContact CD2-CG1 4.32Å; L82-I105 HydrophobicContact CD2-CG2 4.4Å; L82-I105 CarbonylContact O-C 3.57Å; L82-I105 WeakPolarHBondContact O-CA 3.41Å; I84-I105 HydrophobicContact CG2-CG2 4.48Å; L97-I105 HydrophobicContact CB-CD1 3.96Å; I105-V107 HydrophobicContact CG2-CG2 4.05Å; I105-M138 HydrophobicContact CD1-CE 3.31Å; I105-M138 HydrophobicContact CD1-SD 4.21Å; I105-M138 HydrophobicContact CG1-CE 3.64Å; I105-M138 HydrophobicContact CG1-SD 3.88Å; I105-P139 PolarHBondContact N-O 2.86Å; I105-I140 HydrophobicContact CB-CG1 4.2Å; I105-I140 HydrophobicContact CB-CG2 4.14Å; I105-I140 HydrophobicContact CG2-CG2 4.27Å; I105-I140 CarbonylContact O-C 3.59Å; I105-I140 VanDerWaalsContact O-CA 3.31Å; I105-I140 WeakPolarHBondContact O-CA 3.43Å; I105-Y141 PolarHBondContact O-N 3.28Å
106I94.9Very high89.6Confident0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-121.6112.5173.1-56.7168.1000107.4F42 C81 L82 L83 I84 Y141 A143 L182 I508F42-I106 HydrophobicContact CZ-CD1 4.49Å; C81-I106 VanDerWaalsContact SG-CD1 3.53Å; L82-I106 PolarHBondContact O-N 3.45Å; L83-I106 WeakPolarHBondContact CA-O 3.41Å; L83-I106 HydrophobicContact CD1-CB 3.63Å; L83-I106 HydrophobicContact CD1-CD1 4.49Å; L83-I106 HydrophobicContact CD1-CG2 3.49Å; L83-I106 VanDerWaalsContact CD1-CG2 3.49Å; I84-I106 PolarHBondContact N-O 3.31Å; I106-Y141 CarbonylContact C-O 3.56Å; I106-Y141 VanDerWaalsContact CA-O 3.28Å; I106-Y141 WeakPolarHBondContact CA-O 3.43Å; I106-A143 HydrophobicContact CG2-CB 3.56Å; I106-L182 HydrophobicContact CD1-CD1 3.41Å; I106-L182 VanDerWaalsContact CD1-CD1 3.41Å; I106-I508 HydrophobicContact CD1-CD1 3.36Å; I106-I508 HydrophobicContact CG1-CD1 4.2Å
107V94.9Very high89.9Confident1 Ų144.5 Ų44.51%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-92.1124.3176.1-175.80000108.5I84 W86 L89 I105 I140 Y141 I142 A143I84-V107 HydrophobicContact CG2-CG2 4.34Å; I84-V107 CarbonylContact O-C 3.55Å; I84-V107 WeakPolarHBondContact O-CA 3.47Å; W86-V107 HydrophobicContact CB-CG1 3.71Å; L89-V107 HydrophobicContact CD2-CG1 4.27Å; L89-V107 HydrophobicContact CD2-CG2 3.96Å; I105-V107 HydrophobicContact CG2-CG2 4.05Å; V107-I140 HydrophobicContact CG2-CG2 4.47Å; V107-Y141 PolarHBondContact N-O 3.45Å; V107-I142 HydrophobicContact CB-CD1 3.83Å; V107-I142 HydrophobicContact CG1-CD1 4.49Å; V107-I142 HydrophobicContact CG2-CD1 4.41Å; V107-I142 CarbonylContact O-C 3.51Å; V107-I142 WeakPolarHBondContact O-CA 3.34Å; V107-A143 PolarHBondContact O-N 3.44Å
108V95.6Very high90Very high0 Ų053.5 Ų53.50%029%0.294CS..EExtended strand (participates in β ladder)trans-93.4123.8179.4-1700000109.4L83 I84 W85 W86 A143 D145 V149L83-V108 HydrophobicContact CD1-CG2 3.51Å; L83-V108 HydrophobicContact CG-CG2 4.07Å; I84-V108 PolarHBondContact O-N 2.97Å; W85-V108 HydrophobicContact CD2-CB 4.32Å; W85-V108 HydrophobicContact CD2-CG1 4.49Å; W85-V108 HydrophobicContact CE3-CB 3.71Å; W85-V108 HydrophobicContact CE3-CG1 3.65Å; W85-V108 HydrophobicContact CH2-CG1 3.89Å; W85-V108 HydrophobicContact CZ3-CB 3.95Å; W85-V108 HydrophobicContact CZ3-CG1 3.32Å; W86-V108 VanDerWaalsContact CD1-O 3.31Å; W86-V108 PolarHBondContact N-O 3.36Å; V108-A143 WeakPolarHBondContact CA-O 3.06Å; V108-A143 HydrophobicContact CG2-CB 4.45Å; V108-D145 HydrophobicContact CG1-CB 4.29Å; V108-V149 HydrophobicContact CB-CG1 4.34Å; V108-V149 HydrophobicContact CG1-CG1 3.73Å; V108-V149 HydrophobicContact CG2-CG1 3.57Å
109I95Very high90.3Very high4 Ų459.2 Ų59.22%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-112.8152.117665.2168.3000110.6W86 F124 I142 A143 I144 D145 I396W86-I109 HydrophobicContact CB-CG2 4.14Å; W86-I109 HydrophobicContact CG-CG2 4.37Å; I109-F124 HydrophobicContact CG2-CE2 3.88Å; I109-F124 HydrophobicContact CG2-CZ 4.29Å; I109-I142 HydrophobicContact CB-CG2 4.42Å; I109-I142 HydrophobicContact CD1-CG2 3.52Å; I109-I142 HydrophobicContact CG1-CG2 3.62Å; I109-I142 HydrophobicContact CG2-CG2 3.98Å; I109-A143 PolarHBondContact N-O 3.24Å; I109-I144 HydrophobicContact CD1-CD1 3.68Å; I109-I144 HydrophobicContact CG1-CD1 3.67Å; I109-D145 WeakPolarHBondContact O-CB 3.25Å; I109-D145 PolarHBondContact O-N 3.29Å; I109-I396 HydrophobicContact CD1-CD1 3.92Å
110P94Very high90.6Very high25 Ų2557.5 Ų57.516%0.16230%0.302CS..  trans-64.4154.9177.727.8-35.9000111.3W86 L113 L116W86-P110 VanDerWaalsContact NE1-CD 3.35Å; P110-L113 HydrophobicContact CG-CD2 3.94Å; P110-L116 HydrophobicContact CG-CD2 4.19Å
111A90.2Very high91.1Very high75 Ų7559.7 Ų59.762%0.6231%0.307SS*.SBendtrans-67.7-35.4177.500000112.8I144A111-I144 HydrophobicContact CB-CG2 3.91Å
112D90.2Very high91.5Very high64 Ų6457.3 Ų57.334%0.34229%0.289SS..  trans-114102.6175.5-165-11.6000111.1R114 S115D112-R114 PolarHBondContact O-N 3.11Å; D112-R114 VanDerWaalsContact OD1-CB 3.22Å; D112-R114 WeakPolarHBondContact OD1-CB 3.09Å; D112-R114 WeakPolarHBondContact OD1-CG 3.44Å; D112-R114 IonicContact OD1-CZ 3.03Å; D112-R114 PolarHBondContact OD1-N 3.12Å; D112-R114 IonicContact OD1-NE 2.62Å; D112-R114 PolarHBondContact OD1-NE 3.14Å; D112-R114 IonicContact OD1-NH2 3.21Å; D112-R114 IonicContact OD2-CZ 3.63Å; D112-R114 IonicContact OD2-NE 2.69Å; D112-R114 PolarHBondContact OD2-NE 2.83Å; D112-R114 IonicContact OD2-NH2 2.93Å; D112-R114 PolarHBondContact OD2-NH2 2.82Å; D112-S115 PolarHBondContact O-N 3.29Å; D112-S115 PolarHBondContact O-OG 2.84Å
113L90.6Very high91.8Very high23 Ų2358.9 Ų58.912%0.1230%0.298CS..G310 helixtrans-73.6-12.6177.9-67.6168000113P110 S115 L116 F124 I396 L397 L399P110-L113 HydrophobicContact CG-CD2 3.94Å; L113-S115 PolarHBondContact O-N 3.11Å; L113-L116 HydrophobicContact CD2-CD1 4.07Å; L113-L116 WeakPolarHBondContact O-CG 3.26Å; L113-F124 HydrophobicContact CD2-CE2 4.19Å; L113-F124 HydrophobicContact CD2-CZ 4.34Å; L113-I396 HydrophobicContact CD1-CD1 3.7Å; L113-I396 HydrophobicContact CD1-CG1 3.98Å; L113-L397 HydrophobicContact CB-CD2 3.81Å; L113-L397 HydrophobicContact CD1-CD2 4.17Å; L113-L397 HydrophobicContact CD2-CD2 4.01Å; L113-L397 HydrophobicContact CG-CD2 4.21Å; L113-L399 HydrophobicContact CB-CD1 3.94Å
114R88.2Confident92.1Very high160 Ų16057 Ų5760%0.60429%0.287SS*.G310 helixtrans-72.2-21.2176.2-59.3170.2-68.3-168.84.1112.3D112 L116 L399D112-R114 PolarHBondContact O-N 3.11Å; D112-R114 VanDerWaalsContact OD1-CB 3.22Å; D112-R114 WeakPolarHBondContact OD1-CB 3.09Å; D112-R114 WeakPolarHBondContact OD1-CG 3.44Å; D112-R114 IonicContact OD1-CZ 3.03Å; D112-R114 PolarHBondContact OD1-N 3.12Å; D112-R114 IonicContact OD1-NE 2.62Å; D112-R114 PolarHBondContact OD1-NE 3.14Å; D112-R114 IonicContact OD1-NH2 3.21Å; D112-R114 IonicContact OD2-CZ 3.63Å; D112-R114 IonicContact OD2-NE 2.69Å; D112-R114 PolarHBondContact OD2-NE 2.83Å; D112-R114 IonicContact OD2-NH2 2.93Å; D112-R114 PolarHBondContact OD2-NH2 2.82Å; R114-L116 VanDerWaalsContact C-N 3.25Å; R114-L116 PolarHBondContact O-N 2.96Å; R114-L399 HydrophobicContact CG-CB 4.41Å; R114-L399 HydrophobicContact CG-CD1 3.6Å
115S89Confident92.2Very high87 Ų8757.8 Ų57.861%0.60829%0.291SS*.G310 helixtrans-77.8-7.3-179.167.70000114.2D112 L113D112-S115 PolarHBondContact O-N 3.29Å; D112-S115 PolarHBondContact O-OG 2.84Å; L113-S115 PolarHBondContact O-N 3.11Å
116L90.6Very high92.2Very high27 Ų2761.6 Ų61.614%0.14131%0.309CS..  trans-65.9134.8-179.6-63.8179000111.2W86 P110 L113 R114 E120 F124 L397W86-L116 HydrophobicContact CH2-CD2 4.31Å; W86-L116 HydrophobicContact CZ2-CD2 3.6Å; P110-L116 HydrophobicContact CG-CD2 4.19Å; L113-L116 HydrophobicContact CD2-CD1 4.07Å; L113-L116 WeakPolarHBondContact O-CG 3.26Å; R114-L116 VanDerWaalsContact C-N 3.25Å; R114-L116 PolarHBondContact O-N 2.96Å; L116-E120 HydrophobicContact CB-CB 4.23Å; L116-E120 HydrophobicContact CD2-CB 4.28Å; L116-F124 HydrophobicContact CD1-CD2 4.4Å; L116-L397 HydrophobicContact CD1-CD2 3.83Å
117T92.5Very high92.1Very high75 Ų7561.7 Ų61.746%0.4631%0.309SS..  trans-65.7164.8171.261.10000111.3E119 E120 R121T117-E119 VanDerWaalsContact C-N 3.3Å; T117-E119 PolarHBondContact O-N 2.98Å; T117-E120 WeakPolarHBondContact CB-OE2 3.48Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.48Å; T117-E120 PolarHBondContact N-OE2 3.01Å; T117-E120 PolarHBondContact O-N 3.01Å; T117-E120 WeakPolarHBondContact OG1-CB 3.49Å; T117-E120 WeakPolarHBondContact OG1-CG 3.42Å; T117-E120 PolarHBondContact OG1-N 2.89Å; T117-E120 PolarHBondContact OG1-OE2 2.84Å; T117-R121 WeakPolarHBondContact O-CB 3.49Å; T117-R121 PolarHBondContact O-N 2.76Å
118Y89.6Confident92.1Very high192 Ų19261.7 Ų61.775%0.75331%0.31SS*.Hα-helixtrans-57.8-41.7179.3179.2-97.5000112.7R121 K122Y118-R121 PolarHBondContact O-N 2.84Å; Y118-K122 PolarHBondContact O-N 3.39Å; Y118-K122 VanDerWaalsContact O-N 3.11Å
119E92.1Very high91.9Very high162 Ų16265.2 Ų65.276%0.75733%0.326SS*.Hα-helixtrans-67.5-44.3178.4-63.5-176.8172.800111.8T117 R121 K122 S123T117-E119 VanDerWaalsContact C-N 3.3Å; T117-E119 PolarHBondContact O-N 2.98Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.78Å; E119-K122 PolarHBondContact O-N 3.27Å; E119-S123 PolarHBondContact O-N 3.11Å
120E92.8Very high91.7Very high56 Ų5666.8 Ų66.826%0.26234%0.336SS..Hα-helixtrans-61.6-40.2174.8-76.7175.3132.400112.1W86 Q87 L116 T117 K122 S123 F124W86-E120 HydrophobicContact CH2-CB 3.84Å; W86-E120 HydrophobicContact CH2-CG 4.16Å; W86-E120 HydrophobicContact CZ2-CB 4.38Å; Q87-E120 PolarHBondContact NE2-OE1 3.43Å; Q87-E120 VanDerWaalsContact NE2-OE1 3.07Å; L116-E120 HydrophobicContact CB-CB 4.23Å; L116-E120 HydrophobicContact CD2-CB 4.28Å; T117-E120 WeakPolarHBondContact CB-OE2 3.48Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.48Å; T117-E120 PolarHBondContact N-OE2 3.01Å; T117-E120 PolarHBondContact O-N 3.01Å; T117-E120 WeakPolarHBondContact OG1-CB 3.49Å; T117-E120 WeakPolarHBondContact OG1-CG 3.42Å; T117-E120 PolarHBondContact OG1-N 2.89Å; T117-E120 PolarHBondContact OG1-OE2 2.84Å; E120-K122 PolarHBondContact O-N 2.95Å; E120-S123 PolarHBondContact O-N 3.15Å; E120-F124 VanDerWaalsContact O-CB 3.28Å; E120-F124 WeakPolarHBondContact O-CB 3.36Å; E120-F124 PolarHBondContact O-N 3.41Å
121R91.6Very high91.6Very high67 Ų6765.8 Ų65.825%0.25333%0.329SS..Hα-helixtrans-60.6-45.3176.5-168.9-174.2179110.74.6110.8T117 Y118 E119 F124 L125 M392 L397T117-R121 WeakPolarHBondContact O-CB 3.49Å; T117-R121 PolarHBondContact O-N 2.76Å; Y118-R121 PolarHBondContact O-N 2.84Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.78Å; R121-F124 PolarHBondContact O-N 3.47Å; R121-L125 HydrophobicContact CG-CD1 4.5Å; R121-L125 VanDerWaalsContact O-CG 3.27Å; R121-L125 WeakPolarHBondContact O-CG 3.36Å; R121-L125 PolarHBondContact O-N 2.68Å; R121-L125 VanDerWaalsContact O-N 3.07Å; R121-M392 PolarHBondContact NH2-SD 2.69Å; R121-L397 HydrophobicContact CG-CD1 3.78Å; R121-L397 PolarHBondContact NH2-O 2.78Å; R121-L397 VanDerWaalsContact NH2-O 3.11Å
122K92Very high91.6Very high121 Ų12163 Ų6353%0.52630%0.303SS..Hα-helixtrans-62.3-49177.6-173.8-177174.7-171.20111.5Y118 E119 E120 F124 L125 E126Y118-K122 PolarHBondContact O-N 3.39Å; Y118-K122 VanDerWaalsContact O-N 3.11Å; E119-K122 PolarHBondContact O-N 3.27Å; E120-K122 PolarHBondContact O-N 2.95Å; K122-F124 VanDerWaalsContact C-N 3.32Å; K122-F124 PolarHBondContact O-N 3.21Å; K122-L125 PolarHBondContact O-N 3.16Å; K122-E126 WeakPolarHBondContact CE-OE1 3.46Å; K122-E126 WeakPolarHBondContact O-CG 3.3Å; K122-E126 PolarHBondContact O-N 2.82Å; K122-E126 VanDerWaalsContact O-N 3.14Å
123S92.7Very high91.5Very high53 Ų5363.4 Ų63.437%0.37131%0.312SS..Hα-helixtrans-59.9-41.7177.7178.30000112.2E119 E120 L125 E126 M127E119-S123 PolarHBondContact O-N 3.11Å; E120-S123 PolarHBondContact O-N 3.15Å; S123-L125 VanDerWaalsContact C-N 3.33Å; S123-L125 PolarHBondContact O-N 2.7Å; S123-E126 PolarHBondContact O-N 3.43Å; S123-M127 WeakPolarHBondContact O-CB 3.34Å; S123-M127 PolarHBondContact O-N 2.63Å
124F94.2Very high91.4Very high0 Ų063.4 Ų63.40%031%0.313CS..Hα-helixtrans-60.4-42.3176.1-170.6-79.3000111.9W86 I109 L113 L116 E120 R121 K122 M127 E128 L227 I396 L397W86-F124 AromaticContact CD2-CD2 3.78Å; W86-F124 HydrophobicContact CD2-CD2 3.78Å; W86-F124 HydrophobicContact CD2-CE2 4.28Å; W86-F124 HydrophobicContact CE3-CB 4.28Å; W86-F124 AromaticContact CE3-CD2 3.62Å; W86-F124 HydrophobicContact CE3-CD2 3.62Å; W86-F124 HydrophobicContact CE3-CE2 4.45Å; W86-F124 HydrophobicContact CE3-CG 4.41Å; W86-F124 HydrophobicContact CG-CD2 4.37Å; W86-F124 HydrophobicContact CG-CE2 4.42Å; W86-F124 HydrophobicContact CH2-CB 4.25Å; W86-F124 HydrophobicContact CH2-CD2 4.35Å; W86-F124 HydrophobicContact CZ3-CB 3.8Å; W86-F124 AromaticContact CZ3-CD2 3.92Å; W86-F124 HydrophobicContact CZ3-CD2 3.92Å; W86-F124 HydrophobicContact CZ3-CG 4.38Å; I109-F124 HydrophobicContact CG2-CE2 3.88Å; I109-F124 HydrophobicContact CG2-CZ 4.29Å; L113-F124 HydrophobicContact CD2-CE2 4.19Å; L113-F124 HydrophobicContact CD2-CZ 4.34Å; L116-F124 HydrophobicContact CD1-CD2 4.4Å; E120-F124 VanDerWaalsContact O-CB 3.28Å; E120-F124 WeakPolarHBondContact O-CB 3.36Å; E120-F124 PolarHBondContact O-N 3.41Å; R121-F124 PolarHBondContact O-N 3.47Å; K122-F124 VanDerWaalsContact C-N 3.32Å; K122-F124 PolarHBondContact O-N 3.21Å; F124-M127 HydrophobicContact CD1-CE 4.31Å; F124-M127 HydrophobicContact CD2-CE 3.66Å; F124-M127 HydrophobicContact CE1-CE 4.3Å; F124-M127 HydrophobicContact CE2-CE 3.64Å; F124-M127 HydrophobicContact CG-CE 4Å; F124-M127 HydrophobicContact CZ-CE 3.96Å; F124-M127 PolarHBondContact O-N 2.64Å; F124-E128 HydrophobicContact CD1-CB 4.4Å; F124-E128 HydrophobicContact CE1-CB 4.25Å; F124-E128 VanDerWaalsContact O-CB 3.31Å; F124-E128 WeakPolarHBondContact O-CB 3.3Å; F124-E128 PolarHBondContact O-N 3.32Å; F124-L227 HydrophobicContact CZ-CD2 4.08Å; F124-I396 HydrophobicContact CE1-CD1 4.14Å; F124-I396 HydrophobicContact CE1-CG1 3.89Å; F124-I396 HydrophobicContact CZ-CD1 3.84Å; F124-I396 HydrophobicContact CZ-CG1 4.12Å; F124-L397 HydrophobicContact CB-CD1 4.04Å; F124-L397 HydrophobicContact CD1-CD1 3.4Å; F124-L397 HydrophobicContact CD1-CD2 4.03Å; F124-L397 HydrophobicContact CD1-CG 3.69Å; F124-L397 HydrophobicContact CE1-CD1 4.19Å; F124-L397 HydrophobicContact CE1-CD2 4.18Å; F124-L397 HydrophobicContact CE1-CG 3.96Å; F124-L397 HydrophobicContact CG-CD1 3.95Å; F124-L397 HydrophobicContact CG-CD2 4.48Å; F124-L397 HydrophobicContact CG-CG 4.47Å
125L93.2Very high91.4Very high16 Ų1659 Ų598%0.08431%0.307CS..Hα-helixtrans-65.5-43.5179.9-71167.2000112.9R121 K122 S123 M127 E128 Q129 P391 M392 S395 L397R121-L125 HydrophobicContact CG-CD1 4.5Å; R121-L125 VanDerWaalsContact O-CG 3.27Å; R121-L125 WeakPolarHBondContact O-CG 3.36Å; R121-L125 PolarHBondContact O-N 2.68Å; R121-L125 VanDerWaalsContact O-N 3.07Å; K122-L125 PolarHBondContact O-N 3.16Å; S123-L125 VanDerWaalsContact C-N 3.33Å; S123-L125 PolarHBondContact O-N 2.7Å; L125-M127 VanDerWaalsContact C-N 3.31Å; L125-M127 PolarHBondContact O-N 2.83Å; L125-E128 PolarHBondContact O-N 3Å; L125-Q129 WeakPolarHBondContact O-CB 3.32Å; L125-Q129 WeakPolarHBondContact O-CG 3.23Å; L125-Q129 PolarHBondContact O-N 3.18Å; L125-P391 HydrophobicContact CB-CB 4.05Å; L125-P391 HydrophobicContact CD1-CB 4.25Å; L125-P391 HydrophobicContact CD1-CG 4.19Å; L125-P391 HydrophobicContact CD2-CB 4.14Å; L125-P391 HydrophobicContact CG-CB 4.36Å; L125-M392 HydrophobicContact CD1-CE 3.3Å; L125-M392 HydrophobicContact CD1-SD 4.35Å; L125-M392 HydrophobicContact CD2-CE 3.09Å; L125-M392 HydrophobicContact CG-CE 3.71Å; L125-S395 WeakPolarHBondContact CD2-OG 3.46Å; L125-L397 HydrophobicContact CD2-CD1 3.75Å; L125-L397 HydrophobicContact CG-CD1 3.83Å
126E92.6Very high91.3Very high85 Ų8555.4 Ų55.440%0.39728%0.281SS..Hα-helixtrans-62.8-41.8177.6-65.5172.2178.600110.7V91 K122 S123 T130V91-E126 HydrophobicContact CG2-CB 3.76Å; K122-E126 WeakPolarHBondContact CE-OE1 3.46Å; K122-E126 WeakPolarHBondContact O-CG 3.3Å; K122-E126 PolarHBondContact O-N 2.82Å; K122-E126 VanDerWaalsContact O-N 3.14Å; S123-E126 PolarHBondContact O-N 3.43Å; E126-T130 WeakPolarHBondContact O-CB 3.4Å; E126-T130 PolarHBondContact O-N 3.11Å; E126-T130 VanDerWaalsContact O-N 3.09Å; E126-T130 PolarHBondContact O-OG1 3.24Å
127M93.5Very high91Very high2 Ų259 Ų591%0.0131%0.308CS..Hα-helixtrans-62.4-46.5173.6175.7-83.5-61.500112W86 L89 I94 S123 F124 L125 T130 L131 L227W86-M127 HydrophobicContact CB-CE 4.28Å; W86-M127 HydrophobicContact CE3-CE 4.32Å; L89-M127 HydrophobicContact CD2-CG 3.83Å; L89-M127 HydrophobicContact CD2-SD 4.12Å; L89-M127 HydrophobicContact CG-CG 4.33Å; I94-M127 HydrophobicContact CD1-CG 4.19Å; S123-M127 WeakPolarHBondContact O-CB 3.34Å; S123-M127 PolarHBondContact O-N 2.63Å; F124-M127 HydrophobicContact CD1-CE 4.31Å; F124-M127 HydrophobicContact CD2-CE 3.66Å; F124-M127 HydrophobicContact CE1-CE 4.3Å; F124-M127 HydrophobicContact CE2-CE 3.64Å; F124-M127 HydrophobicContact CG-CE 4Å; F124-M127 HydrophobicContact CZ-CE 3.96Å; F124-M127 PolarHBondContact O-N 2.64Å; L125-M127 VanDerWaalsContact C-N 3.31Å; L125-M127 PolarHBondContact O-N 2.83Å; M127-T130 PolarHBondContact O-N 3.3Å; M127-L131 HydrophobicContact CG-CD1 4.34Å; M127-L131 WeakPolarHBondContact O-CG 3.31Å; M127-L131 PolarHBondContact O-N 2.87Å; M127-L131 HydrophobicContact SD-CD1 3.42Å; M127-L131 WeakPolarHBondContact SD-CD1 3.41Å; M127-L131 HydrophobicContact SD-CG 4.22Å; M127-L227 HydrophobicContact CE-CD2 4.49Å
128E93.7Very high90.9Very high2 Ų256.2 Ų56.21%0.00929%0.291CS..Hα-helixtrans-62.4-47.5-179.8172.8169.4-139.200111.9F124 L125 T130 L131 I132 L227 S395 I396F124-E128 HydrophobicContact CD1-CB 4.4Å; F124-E128 HydrophobicContact CE1-CB 4.25Å; F124-E128 VanDerWaalsContact O-CB 3.31Å; F124-E128 WeakPolarHBondContact O-CB 3.3Å; F124-E128 PolarHBondContact O-N 3.32Å; L125-E128 PolarHBondContact O-N 3Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 3.15Å; E128-L131 PolarHBondContact O-N 2.71Å; E128-I132 HydrophobicContact CG-CD1 3.59Å; E128-I132 HydrophobicContact CG-CG1 4.38Å; E128-I132 WeakPolarHBondContact O-CB 3.48Å; E128-I132 VanDerWaalsContact O-CG1 3.25Å; E128-I132 WeakPolarHBondContact O-CG1 3.47Å; E128-I132 PolarHBondContact O-N 2.95Å; E128-L227 HydrophobicContact CB-CD1 4.35Å; E128-L227 HydrophobicContact CG-CB 3.88Å; E128-L227 HydrophobicContact CG-CD1 4.16Å; E128-L227 VanDerWaalsContact OE1-CB 3.24Å; E128-L227 WeakPolarHBondContact OE1-CB 3.27Å; E128-L227 PolarHBondContact OE1-N 2.78Å; E128-S395 WeakPolarHBondContact OE2-CA 2.87Å; E128-S395 WeakPolarHBondContact OE2-CB 3.43Å; E128-S395 PolarHBondContact OE2-OG 3.38Å; E128-I396 PolarHBondContact OE1-N 2.89Å
129Q91Very high90.9Very high74 Ų7447.5 Ų47.535%0.34626%0.258SS..Hα-helixtrans-59.6-41.6176.3-74.1-174.4-38.900112L125 S133 P391L125-Q129 WeakPolarHBondContact O-CB 3.32Å; L125-Q129 WeakPolarHBondContact O-CG 3.23Å; L125-Q129 PolarHBondContact O-N 3.18Å; Q129-S133 VanDerWaalsContact O-CB 3.3Å; Q129-S133 WeakPolarHBondContact O-CB 3.36Å; Q129-S133 PolarHBondContact O-N 3.26Å; Q129-S133 PolarHBondContact O-OG 3.24Å; Q129-P391 HydrophobicContact CG-CB 4.3Å; Q129-P391 VanDerWaalsContact NE2-CB 3.26Å
130T92Very high91Very high36 Ų3640 Ų4022%0.22122%0.222CC..Hα-helixtrans-66.1-44.4179.5-55.30000111.1V91 I94 E126 M127 E128 S133 S134V91-T130 HydrophobicContact CG1-CG2 4.12Å; V91-T130 WeakPolarHBondContact CG1-OG1 3.24Å; I94-T130 HydrophobicContact CB-CG2 4.29Å; I94-T130 HydrophobicContact CD1-CG2 3.75Å; I94-T130 HydrophobicContact CG2-CG2 4.14Å; E126-T130 WeakPolarHBondContact O-CB 3.4Å; E126-T130 PolarHBondContact O-N 3.11Å; E126-T130 VanDerWaalsContact O-N 3.09Å; E126-T130 PolarHBondContact O-OG1 3.24Å; M127-T130 PolarHBondContact O-N 3.3Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 3.15Å; T130-S133 PolarHBondContact O-OG 3.16Å; T130-S134 VanDerWaalsContact O-CB 3.24Å; T130-S134 WeakPolarHBondContact O-CB 3.24Å; T130-S134 PolarHBondContact O-N 3.31Å; T130-S134 PolarHBondContact O-OG 2.92Å
131L91.8Very high91.1Very high5 Ų537.3 Ų37.33%0.02621%0.21CC..Hα-helixtrans-66.3-41.6178.1-72.4178.5000112.8L47 L89 I94 M127 E128 S134 L227L47-L131 HydrophobicContact CD2-CB 3.95Å; L89-L131 HydrophobicContact CD2-CD1 4.1Å; I94-L131 HydrophobicContact CD1-CD2 4.24Å; I94-L131 HydrophobicContact CD1-CG 4.16Å; I94-L131 HydrophobicContact CG1-CD2 4.42Å; I94-L131 HydrophobicContact CG2-CD2 3.72Å; M127-L131 HydrophobicContact CG-CD1 4.34Å; M127-L131 WeakPolarHBondContact O-CG 3.31Å; M127-L131 PolarHBondContact O-N 2.87Å; M127-L131 HydrophobicContact SD-CD1 3.42Å; M127-L131 WeakPolarHBondContact SD-CD1 3.41Å; M127-L131 HydrophobicContact SD-CG 4.22Å; E128-L131 PolarHBondContact O-N 2.71Å; L131-S134 PolarHBondContact O-N 2.94Å; L131-S134 PolarHBondContact O-OG 3.2Å; L131-L227 HydrophobicContact CB-CD1 3.91Å; L131-L227 HydrophobicContact CD1-CD1 3.78Å; L131-L227 HydrophobicContact CG-CD1 4.49Å
132I90.2Very high91.3Very high15 Ų1534.1 Ų34.18%0.07720%0.198CC..Hα-helixtrans-67.7-38.7179.6-66.3170.1000111.4P48 E128 L225P48-I132 HydrophobicContact CG-CG1 4.03Å; P48-I132 HydrophobicContact CG-CG2 4.22Å; E128-I132 HydrophobicContact CG-CD1 3.59Å; E128-I132 HydrophobicContact CG-CG1 4.38Å; E128-I132 WeakPolarHBondContact O-CB 3.48Å; E128-I132 VanDerWaalsContact O-CG1 3.25Å; E128-I132 WeakPolarHBondContact O-CG1 3.47Å; E128-I132 PolarHBondContact O-N 2.95Å; I132-L225 HydrophobicContact CG2-CD2 4.07Å
133S87.7Confident91.4Very high74 Ų7428.4 Ų28.452%0.51717%0.173SC..Hα-helixtrans-77.7-25.4179590000113.2Q129 T130Q129-S133 VanDerWaalsContact O-CB 3.3Å; Q129-S133 WeakPolarHBondContact O-CB 3.36Å; Q129-S133 PolarHBondContact O-N 3.26Å; Q129-S133 PolarHBondContact O-OG 3.24Å; T130-S133 PolarHBondContact O-OG 3.16Å
134S87.9Confident91.5Very high22 Ų2227.6 Ų27.615%0.15416%0.164CC..  trans-67.1144.5177.473.70000112.2G58 T130 L131G58-S134 VanDerWaalsContact CA-O 3.24Å; G58-S134 WeakPolarHBondContact CA-O 3.34Å; G58-S134 PolarHBondContact N-O 3.34Å; T130-S134 VanDerWaalsContact O-CB 3.24Å; T130-S134 WeakPolarHBondContact O-CB 3.24Å; T130-S134 PolarHBondContact O-N 3.31Å; T130-S134 PolarHBondContact O-OG 2.92Å; L131-S134 PolarHBondContact O-N 2.94Å; L131-S134 PolarHBondContact O-OG 3.2Å
135S87.8Confident91.5Very high67 Ų6728.8 Ų28.847%0.46917%0.171SC..EExtended strand (participates in β ladder)trans-106.4123.8173.5-160.10000109.6H56H56-S135 VanDerWaalsContact CB-OG 3.28Å; H56-S135 WeakPolarHBondContact CB-OG 3.4Å; H56-S135 WeakPolarHBondContact O-CB 3.46Å; H56-S135 PolarHBondContact O-OG 2.89Å
136T87.2Confident91.6Very high12 Ų1229.6 Ų29.67%0.07418%0.178CC..EExtended strand (participates in β ladder)trans-143.6139.4178.8-179.60000112.7G58 T59 R60 M138 I140G58-T136 PolarHBondContact O-N 2.94Å; T59-T136 WeakPolarHBondContact CA-O 3.2Å; R60-T136 PolarHBondContact N-O 3.13Å; T136-M138 VanDerWaalsContact C-N 3.34Å; T136-M138 PolarHBondContact OG1-N 2.78Å; T136-M138 VanDerWaalsContact OG1-N 3.11Å; T136-I140 HydrophobicContact CG2-CD1 3.77Å; T136-I140 HydrophobicContact CG2-CG1 4.14Å
137S85.8Confident91.6Very high102 Ų10231 Ų3171%0.71319%0.194SC*.SBendtrans-78.3-22.4170.454.80000112.5G61G61-S137 WeakPolarHBondContact CA-O 3.11Å; G61-S137 PolarHBondContact N-O 3.18Å; G61-S137 VanDerWaalsContact N-O 3.13Å
138M88.6Confident91.5Very high17 Ų1732.1 Ų32.18%0.08420%0.2CC..SBendtrans-75.4133.4-178.3175.4176.950.500110.4T59 A102 I105 T136 I140T59-M138 PolarHBondContact OG1-O 3.09Å; A102-M138 HydrophobicContact CB-SD 3.8Å; I105-M138 HydrophobicContact CD1-CE 3.31Å; I105-M138 HydrophobicContact CD1-SD 4.21Å; I105-M138 HydrophobicContact CG1-CE 3.64Å; I105-M138 HydrophobicContact CG1-SD 3.88Å; T136-M138 VanDerWaalsContact C-N 3.34Å; T136-M138 PolarHBondContact OG1-N 2.78Å; T136-M138 VanDerWaalsContact OG1-N 3.11Å; M138-I140 PolarHBondContact O-N 2.84Å
139P91.2Very high91.5Very high10 Ų1032 Ų327%0.06520%0.2CC..  trans-59.8118.1173.521.8-29.7000111.5T59 G61 V103 A104 I105 Y141T59-P139 VanDerWaalsContact OG1-CA 3.27Å; T59-P139 WeakPolarHBondContact OG1-CA 3.4Å; G61-P139 WeakPolarHBondContact O-CB 3.42Å; V103-P139 VanDerWaalsContact O-CD 3.27Å; V103-P139 WeakPolarHBondContact O-CD 3.44Å; V103-P139 VanDerWaalsContact O-CG 3.25Å; V103-P139 WeakPolarHBondContact O-CG 3.19Å; A104-P139 VanDerWaalsContact CA-O 3.29Å; A104-P139 WeakPolarHBondContact CA-O 3.06Å; A104-P139 HydrophobicContact CB-CB 4.38Å; A104-P139 HydrophobicContact CB-CG 3.74Å; I105-P139 PolarHBondContact N-O 2.86Å; P139-Y141 HydrophobicContact CB-CD2 4.17Å; P139-Y141 HydrophobicContact CB-CE2 3.71Å
140I93.6Very high91.6Very high3 Ų334.5 Ų34.52%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-113.5127168.3-50.5-177.8000109.4L47 T59 I98 I105 V107 T136 M138L47-I140 HydrophobicContact CD1-CB 3.32Å; L47-I140 HydrophobicContact CD1-CD1 4.42Å; L47-I140 HydrophobicContact CD1-CG1 4.42Å; L47-I140 HydrophobicContact CD1-CG2 3.17Å; L47-I140 PolarHBondContact N-O 3.03Å; T59-I140 PolarHBondContact OG1-N 2.94Å; I98-I140 HydrophobicContact CG1-CD1 4.33Å; I105-I140 HydrophobicContact CB-CG1 4.2Å; I105-I140 HydrophobicContact CB-CG2 4.14Å; I105-I140 HydrophobicContact CG2-CG2 4.27Å; I105-I140 CarbonylContact O-C 3.59Å; I105-I140 VanDerWaalsContact O-CA 3.31Å; I105-I140 WeakPolarHBondContact O-CA 3.43Å; V107-I140 HydrophobicContact CG2-CG2 4.47Å; T136-I140 HydrophobicContact CG2-CD1 3.77Å; T136-I140 HydrophobicContact CG2-CG1 4.14Å; M138-I140 PolarHBondContact O-N 2.84Å
141Y94.5Very high91.6Very high1 Ų136.5 Ų36.50%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-123.9152.8-176.1-76.8-77.6000111V44 F45 R46 R62 V64 I105 I106 V107 P139 D506V44-Y141 HydrophobicContact CB-CD1 3.94Å; V44-Y141 HydrophobicContact CB-CG 4.21Å; V44-Y141 HydrophobicContact CG2-CD1 3.46Å; V44-Y141 VanDerWaalsContact CG2-CD1 3.46Å; V44-Y141 HydrophobicContact CG2-CE1 3.88Å; V44-Y141 HydrophobicContact CG2-CG 3.9Å; F45-Y141 CarbonylContact O-C 3.55Å; F45-Y141 WeakPolarHBondContact O-CA 3.3Å; R46-Y141 HydrophobicContact CB-CD1 3.88Å; R46-Y141 HydrophobicContact CB-CE1 3.55Å; R46-Y141 HydrophobicContact CG-CD1 4.24Å; R46-Y141 HydrophobicContact CG-CE1 3.8Å; R62-Y141 WeakPolarHBondContact CA-OH 3.38Å; R62-Y141 WeakPolarHBondContact O-CE2 3.37Å; R62-Y141 PolarHBondContact O-OH 3.16Å; V64-Y141 HydrophobicContact CG2-CD2 3.77Å; V64-Y141 HydrophobicContact CG2-CE2 3.47Å; V64-Y141 VanDerWaalsContact CG2-CE2 3.47Å; I105-Y141 PolarHBondContact O-N 3.28Å; I106-Y141 CarbonylContact C-O 3.56Å; I106-Y141 VanDerWaalsContact CA-O 3.28Å; I106-Y141 WeakPolarHBondContact CA-O 3.43Å; V107-Y141 PolarHBondContact N-O 3.45Å; P139-Y141 HydrophobicContact CB-CD2 4.17Å; P139-Y141 HydrophobicContact CB-CE2 3.71Å; Y141-D506 HydrophobicContact CE1-CB 4.06Å
142I95.3Very high91.6Very high0 Ų036.3 Ų36.30%021%0.21CC..EExtended strand (participates in β ladder)trans-107.3123.6172.3-53.5-54.3000108.2V44 F45 V107 I109 L227V44-I142 CarbonylContact C-O 3.54Å; V44-I142 WeakPolarHBondContact CA-O 3.15Å; F45-I142 HydrophobicContact CB-CB 4.35Å; F45-I142 PolarHBondContact N-O 3.2Å; F45-I142 PolarHBondContact O-N 2.96Å; V107-I142 HydrophobicContact CB-CD1 3.83Å; V107-I142 HydrophobicContact CG1-CD1 4.49Å; V107-I142 HydrophobicContact CG2-CD1 4.41Å; V107-I142 CarbonylContact O-C 3.51Å; V107-I142 WeakPolarHBondContact O-CA 3.34Å; I109-I142 HydrophobicContact CB-CG2 4.42Å; I109-I142 HydrophobicContact CD1-CG2 3.52Å; I109-I142 HydrophobicContact CG1-CG2 3.62Å; I109-I142 HydrophobicContact CG2-CG2 3.98Å; I142-L227 HydrophobicContact CD1-CD1 4.37Å; I142-L227 HydrophobicContact CD1-CD2 3.45Å; I142-L227 VanDerWaalsContact CD1-CD2 3.45Å; I142-L227 HydrophobicContact CD1-CG 3.75Å; I142-L227 HydrophobicContact CG1-CD2 3.83Å; I142-L227 HydrophobicContact CG1-CG 3.84Å
143A95.4Very high91.6Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-106140171.900000109.6F42 V44 I106 V107 V108 I109F42-A143 HydrophobicContact CD2-CB 4.39Å; F42-A143 HydrophobicContact CE2-CB 4.11Å; V44-A143 HydrophobicContact CG1-CB 4.15Å; I106-A143 HydrophobicContact CG2-CB 3.56Å; V107-A143 PolarHBondContact O-N 3.44Å; V108-A143 WeakPolarHBondContact CA-O 3.06Å; V108-A143 HydrophobicContact CG2-CB 4.45Å; I109-A143 PolarHBondContact N-O 3.24Å
144I94.6Very high91.7Very high36 Ų3639 Ų3919%0.18521%0.213CC..EExtended strand (participates in β ladder)trans-81.6137.6169.9-54.1-60.9000108.3F45 I109 A111 S146F45-I144 HydrophobicContact CD2-CD1 4.43Å; F45-I144 HydrophobicContact CD2-CG1 4.29Å; F45-I144 HydrophobicContact CE2-CD1 4.13Å; F45-I144 HydrophobicContact CE2-CG1 3.67Å; I109-I144 HydrophobicContact CD1-CD1 3.68Å; I109-I144 HydrophobicContact CG1-CD1 3.67Å; A111-I144 HydrophobicContact CB-CG2 3.91Å; I144-S146 PolarHBondContact O-N 3.32Å
145D94.3Very high91.6Very high26 Ų2640.3 Ų40.314%0.13922%0.218CC..  trans-51.7125.5172.9-177.116.2000111.5W85 V108 I109 R150W85-D145 HydrophobicContact CH2-CB 4.15Å; W85-D145 WeakPolarHBondContact CH2-OD1 3.32Å; W85-D145 HydrophobicContact CZ3-CB 4.09Å; V108-D145 HydrophobicContact CG1-CB 4.29Å; I109-D145 WeakPolarHBondContact O-CB 3.25Å; I109-D145 PolarHBondContact O-N 3.29Å; D145-R150 VanDerWaalsContact CG-NE 3.29Å; D145-R150 WeakPolarHBondContact OD1-CD 3.39Å; D145-R150 WeakPolarHBondContact OD1-CG 3.33Å; D145-R150 IonicContact OD1-CZ 2.59Å; D145-R150 IonicContact OD1-NE 3.48Å; D145-R150 PolarHBondContact OD1-NE 3.05Å; D145-R150 IonicContact OD1-NH2 3.04Å; D145-R150 IonicContact OD2-CZ 3.9Å; D145-R150 IonicContact OD2-NE 3.73Å; D145-R150 PolarHBondContact OD2-NE 3.5Å; D145-R150 IonicContact OD2-NH2 3.85Å; D145-R150 PolarHBondContact OD2-NH2 3.07Å
146S94.1Very high91.5Very high32 Ų3237.4 Ų37.422%0.22420%0.198CC..  trans-147.7158.4178.664.20000110I144 L148 V149 R150I144-S146 PolarHBondContact O-N 3.32Å; S146-L148 PolarHBondContact O-N 2.84Å; S146-L148 VanDerWaalsContact O-N 3.13Å; S146-V149 PolarHBondContact O-N 3.42Å; S146-V149 VanDerWaalsContact O-N 3.09Å; S146-V149 VanDerWaalsContact OG-CG2 3.25Å; S146-V149 WeakPolarHBondContact OG-CG2 3.4Å; S146-V149 PolarHBondContact OG-N 3.36Å; S146-R150 WeakPolarHBondContact O-CG 3.37Å; S146-R150 PolarHBondContact O-N 2.77Å
147P93.9Very high91.5Very high116 Ų11639.2 Ų39.275%0.75321%0.211SC*.Hα-helixtrans-53-36.9177.7-27.335.2000113.1K151P147-K151 WeakPolarHBondContact O-CB 3.2Å; P147-K151 PolarHBondContact O-N 3.19Å
148L92Very high91.3Very high25 Ų2542.8 Ų42.813%0.13121%0.209CC..Hα-helixtrans-66-51.2176.1177.358.2000112.3E40 F42 S146 R150 K151 I152E40-L148 HydrophobicContact CB-CD1 3.72Å; E40-L148 HydrophobicContact CB-CD2 3.6Å; E40-L148 HydrophobicContact CB-CG 4.32Å; E40-L148 VanDerWaalsContact CD-CD1 3.43Å; E40-L148 HydrophobicContact CG-CD1 4.17Å; E40-L148 WeakPolarHBondContact OE2-CD1 3.21Å; F42-L148 HydrophobicContact CB-CD2 4.21Å; F42-L148 HydrophobicContact CD1-CD2 4.1Å; S146-L148 PolarHBondContact O-N 2.84Å; S146-L148 VanDerWaalsContact O-N 3.13Å; L148-R150 VanDerWaalsContact C-N 3.3Å; L148-R150 PolarHBondContact O-N 3.34Å; L148-K151 WeakPolarHBondContact O-CB 3.48Å; L148-K151 PolarHBondContact O-N 2.92Å; L148-K151 VanDerWaalsContact O-N 3.12Å; L148-I152 HydrophobicContact CD1-CD1 3.94Å; L148-I152 HydrophobicContact CD1-CG1 4.25Å; L148-I152 HydrophobicContact CG-CD1 3.97Å; L148-I152 WeakPolarHBondContact O-CG1 3.11Å; L148-I152 PolarHBondContact O-N 3.47Å
149V93.1Very high90.7Very high0 Ų044.1 Ų44.10%021%0.214CC..Hα-helixtrans-60.9-41.5179.4172.40000110.5F42 L83 V108 S146 K151 I152 L153F42-V149 HydrophobicContact CB-CG2 4.5Å; F42-V149 HydrophobicContact CD1-CG2 4.49Å; F42-V149 HydrophobicContact CD2-CG2 3.84Å; F42-V149 HydrophobicContact CE2-CG2 4.12Å; F42-V149 HydrophobicContact CG-CG2 4.03Å; L83-V149 HydrophobicContact CD1-CG1 4.44Å; L83-V149 HydrophobicContact CD2-CG1 4.41Å; V108-V149 HydrophobicContact CB-CG1 4.34Å; V108-V149 HydrophobicContact CG1-CG1 3.73Å; V108-V149 HydrophobicContact CG2-CG1 3.57Å; S146-V149 PolarHBondContact O-N 3.42Å; S146-V149 VanDerWaalsContact O-N 3.09Å; S146-V149 VanDerWaalsContact OG-CG2 3.25Å; S146-V149 WeakPolarHBondContact OG-CG2 3.4Å; S146-V149 PolarHBondContact OG-N 3.36Å; V149-K151 PolarHBondContact O-N 3.18Å; V149-I152 PolarHBondContact O-N 3.41Å; V149-L153 WeakPolarHBondContact O-CB 3.49Å; V149-L153 PolarHBondContact O-N 2.91Å
150R93.7Very high90Very high125 Ų12545.5 Ų45.547%0.47222%0.221SC..Hα-helixtrans-61.5-41.3174.1-68.1-178179.1-159.50.4112.5W85 D145 S146 L148 K154W85-R150 HydrophobicContact CH2-CG 4.16Å; W85-R150 HydrophobicContact CZ2-CG 4.09Å; D145-R150 VanDerWaalsContact CG-NE 3.29Å; D145-R150 WeakPolarHBondContact OD1-CD 3.39Å; D145-R150 WeakPolarHBondContact OD1-CG 3.33Å; D145-R150 IonicContact OD1-CZ 2.59Å; D145-R150 IonicContact OD1-NE 3.48Å; D145-R150 PolarHBondContact OD1-NE 3.05Å; D145-R150 IonicContact OD1-NH2 3.04Å; D145-R150 IonicContact OD2-CZ 3.9Å; D145-R150 IonicContact OD2-NE 3.73Å; D145-R150 PolarHBondContact OD2-NE 3.5Å; D145-R150 IonicContact OD2-NH2 3.85Å; D145-R150 PolarHBondContact OD2-NH2 3.07Å; S146-R150 WeakPolarHBondContact O-CG 3.37Å; S146-R150 PolarHBondContact O-N 2.77Å; L148-R150 VanDerWaalsContact C-N 3.3Å; L148-R150 PolarHBondContact O-N 3.34Å; R150-K154 WeakPolarHBondContact O-CB 3.45Å; R150-K154 VanDerWaalsContact O-CG 3.26Å; R150-K154 WeakPolarHBondContact O-CG 3.09Å; R150-K154 PolarHBondContact O-N 3.36Å
151K91.3Very high89.1Confident78 Ų7849.1 Ų49.134%0.33925%0.252SS..Hα-helixtrans-61.1-48.8176.3175.9-172.1173.9-162.80110.7E40 P147 L148 V149 L155 Y180E40-K151 IonicContact OE1-NZ 2.78Å; E40-K151 PolarHBondContact OE1-NZ 3.43Å; E40-K151 IonicContact OE2-NZ 2.92Å; E40-K151 PolarHBondContact OE2-NZ 3.48Å; P147-K151 WeakPolarHBondContact O-CB 3.2Å; P147-K151 PolarHBondContact O-N 3.19Å; L148-K151 WeakPolarHBondContact O-CB 3.48Å; L148-K151 PolarHBondContact O-N 2.92Å; L148-K151 VanDerWaalsContact O-N 3.12Å; V149-K151 PolarHBondContact O-N 3.18Å; K151-L155 HydrophobicContact CG-CD1 4.32Å; K151-L155 WeakPolarHBondContact O-CG 3.4Å; K151-L155 PolarHBondContact O-N 3.25Å; K151-Y180 WeakPolarHBondContact CE-OH 3.44Å; K151-Y180 PolarHBondContact NZ-OH 2.89Å; K151-Y180 VanDerWaalsContact NZ-OH 3.09Å
152I90.6Very high87.8Confident1 Ų154.1 Ų54.11%0.00528%0.275CS..Hα-helixtrans-61.3-48.1179.2-64.9166.2000110.3F42 V68 L83 L148 V149 L155 A156 Y180 A510F42-I152 HydrophobicContact CD1-CD1 4.48Å; F42-I152 HydrophobicContact CE1-CD1 4.06Å; V68-I152 HydrophobicContact CB-CG2 4.27Å; V68-I152 HydrophobicContact CG1-CG2 3.99Å; V68-I152 HydrophobicContact CG2-CG2 3.95Å; L83-I152 HydrophobicContact CD2-CB 4.27Å; L83-I152 HydrophobicContact CD2-CG2 3.8Å; L148-I152 HydrophobicContact CD1-CD1 3.94Å; L148-I152 HydrophobicContact CD1-CG1 4.25Å; L148-I152 HydrophobicContact CG-CD1 3.97Å; L148-I152 WeakPolarHBondContact O-CG1 3.11Å; L148-I152 PolarHBondContact O-N 3.47Å; V149-I152 PolarHBondContact O-N 3.41Å; I152-L155 PolarHBondContact O-N 2.95Å; I152-A156 PolarHBondContact O-N 2.95Å; I152-Y180 HydrophobicContact CB-CD2 4.32Å; I152-Y180 HydrophobicContact CD1-CD1 4.34Å; I152-Y180 HydrophobicContact CD1-CE1 4.48Å; I152-Y180 HydrophobicContact CG1-CD1 4.02Å; I152-Y180 HydrophobicContact CG1-CD2 3.88Å; I152-Y180 HydrophobicContact CG1-CE1 4.05Å; I152-Y180 HydrophobicContact CG1-CE2 3.95Å; I152-Y180 HydrophobicContact CG1-CG 3.89Å; I152-Y180 HydrophobicContact CG2-CD2 4.21Å; I152-Y180 HydrophobicContact CG2-CG 4.18Å; I152-A510 HydrophobicContact CD1-CB 3.8Å
153L91.1Very high86Confident9 Ų959.5 Ų59.55%0.04731%0.31CS..Hα-helixtrans-64.9-43.6-178-173.964.5000112.6L83 W85 V149 L155 A156 S157L83-L153 HydrophobicContact CB-CD1 4.31Å; L83-L153 HydrophobicContact CD2-CB 3.97Å; L83-L153 HydrophobicContact CD2-CD1 4.17Å; L83-L153 HydrophobicContact CG-CD1 4.03Å; L83-L153 WeakPolarHBondContact O-CD1 3.5Å; W85-L153 HydrophobicContact CD2-CD2 3.98Å; W85-L153 HydrophobicContact CG-CD2 3.91Å; W85-L153 HydrophobicContact CZ2-CD2 4.02Å; V149-L153 WeakPolarHBondContact O-CB 3.49Å; V149-L153 PolarHBondContact O-N 2.91Å; L153-L155 VanDerWaalsContact C-N 3.25Å; L153-L155 PolarHBondContact O-N 3.34Å; L153-A156 PolarHBondContact O-N 2.91Å; L153-S157 PolarHBondContact O-N 3.22Å; L153-S157 PolarHBondContact O-OG 3.45Å
154K89.8Confident84Confident136 Ų13667.4 Ų67.459%0.59134%0.34SS*.Hα-helixtrans-58.2-38174.7-77.8176.6-180-178.30112.2R150 R158R150-K154 WeakPolarHBondContact O-CB 3.45Å; R150-K154 VanDerWaalsContact O-CG 3.26Å; R150-K154 WeakPolarHBondContact O-CG 3.09Å; R150-K154 PolarHBondContact O-N 3.36Å; K154-R158 WeakPolarHBondContact O-CB 3.42Å; K154-R158 VanDerWaalsContact O-CG 3.24Å; K154-R158 WeakPolarHBondContact O-CG 3.33Å; K154-R158 PolarHBondContact O-N 2.57Å; K154-R158 VanDerWaalsContact O-N 3.13Å
155L86.2Confident81.7Confident50 Ų5068.2 Ų68.226%0.26235%0.352SS..Hα-helixtrans-70.8-42.6177.2-73.5166.1000111.6K151 I152 L153 R158 K159 Y180K151-L155 HydrophobicContact CG-CD1 4.32Å; K151-L155 WeakPolarHBondContact O-CG 3.4Å; K151-L155 PolarHBondContact O-N 3.25Å; I152-L155 PolarHBondContact O-N 2.95Å; L153-L155 VanDerWaalsContact C-N 3.25Å; L153-L155 PolarHBondContact O-N 3.34Å; L155-R158 PolarHBondContact O-N 3.41Å; L155-K159 WeakPolarHBondContact O-CB 3.37Å; L155-K159 PolarHBondContact O-N 2.77Å; L155-Y180 HydrophobicContact CD1-CD2 4.15Å; L155-Y180 HydrophobicContact CD1-CE2 3.55Å
156A86.2Confident79.5Confident6 Ų676.5 Ų76.55%0.0539%0.387CS..Hα-helixtrans-60.9-47175.300000111.9V68 I152 L153 R158 K159 D160V68-A156 HydrophobicContact CG1-CB 3.85Å; I152-A156 PolarHBondContact O-N 2.95Å; L153-A156 PolarHBondContact O-N 2.91Å; A156-R158 PolarHBondContact O-N 3.19Å; A156-K159 WeakPolarHBondContact O-CB 3.39Å; A156-K159 PolarHBondContact O-N 3.05Å; A156-K159 VanDerWaalsContact O-N 3.16Å; A156-D160 PolarHBondContact O-N 2.82Å
157S85.5Confident77.7Confident51 Ų5179.2 Ų79.236%0.35741%0.406SS..Hα-helixtrans-65.2-36.6178.4-57.20000113.2S70 L153 K159 D160 A161S70-S157 WeakPolarHBondContact CB-OG 3.49Å; S70-S157 VanDerWaalsContact OG-CA 3.27Å; S70-S157 WeakPolarHBondContact OG-CA 3.35Å; S70-S157 PolarHBondContact OG-OG 3.15Å; L153-S157 PolarHBondContact O-N 3.22Å; L153-S157 PolarHBondContact O-OG 3.45Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-D160 PolarHBondContact O-N 2.79Å; S157-A161 WeakPolarHBondContact O-CB 3.34Å; S157-A161 PolarHBondContact O-N 2.95Å
158R82.3Confident75.8Confident176 Ų17681.9 Ų81.966%0.66441%0.405SS*.Hα-helixtrans-65.3-38.3173.3-76.2174.1-179.3-172.1-0.4112K154 L155 A156 Q162K154-R158 WeakPolarHBondContact O-CB 3.42Å; K154-R158 VanDerWaalsContact O-CG 3.24Å; K154-R158 WeakPolarHBondContact O-CG 3.33Å; K154-R158 PolarHBondContact O-N 2.57Å; K154-R158 VanDerWaalsContact O-N 3.13Å; L155-R158 PolarHBondContact O-N 3.41Å; A156-R158 PolarHBondContact O-N 3.19Å; R158-Q162 WeakPolarHBondContact O-CG 3.49Å; R158-Q162 PolarHBondContact O-N 2.76Å
159K76.6Confident74.1Confident45 Ų4582.6 Ų82.620%0.19642%0.419CS..Hα-helixtrans-67.1-43.4177.6-177173.9176.7166.20111.2E67 L155 A156 S157E67-K159 IonicContact OE1-NZ 3.6Å; E67-K159 PolarHBondContact OE1-NZ 3.11Å; E67-K159 IonicContact OE2-NZ 3.47Å; L155-K159 WeakPolarHBondContact O-CB 3.37Å; L155-K159 PolarHBondContact O-N 2.77Å; A156-K159 WeakPolarHBondContact O-CB 3.39Å; A156-K159 PolarHBondContact O-N 3.05Å; A156-K159 VanDerWaalsContact O-N 3.16Å; S157-K159 VanDerWaalsContact C-N 3.33Å
160D76.7Confident72.2Confident40 Ų4083.4 Ų83.421%0.21443%0.426CS..Hα-helixtrans-71.8-34.9-180-70.6-8.7000112.9S70 T71 A156 S157 Q162S70-D160 WeakPolarHBondContact CA-OD2 3.38Å; S70-D160 PolarHBondContact N-OD2 2.78Å; S70-D160 PolarHBondContact OG-OD2 2.85Å; T71-D160 HydrophobicContact CG2-CB 4.13Å; T71-D160 PolarHBondContact N-OD2 3.3Å; T71-D160 WeakPolarHBondContact OG1-CB 3.42Å; T71-D160 VanDerWaalsContact OG1-CG 3.24Å; T71-D160 PolarHBondContact OG1-OD2 2.87Å; A156-D160 PolarHBondContact O-N 2.82Å; S157-D160 PolarHBondContact O-N 2.79Å; D160-Q162 VanDerWaalsContact C-N 3.27Å; D160-Q162 PolarHBondContact O-N 2.76Å
161A74.3Confident70.3Confident79 Ų7981.4 Ų81.465%0.65342%0.424SS*.Hα-helixtrans-73.5-14.7179.100000113.7S157 P163S157-A161 WeakPolarHBondContact O-CB 3.34Å; S157-A161 PolarHBondContact O-N 2.95Å; A161-P163 VanDerWaalsContact O-CD 3.26Å; A161-P163 WeakPolarHBondContact O-CD 3.18Å; A161-P163 VanDerWaalsContact O-N 3.15Å
162Q66.4Low68.6Low105 Ų10584 Ų8449%0.49143%0.432SS..SBendtrans-64.9117177.4-82.5-178.53.300109.5R158 D160 R164R158-Q162 WeakPolarHBondContact O-CG 3.49Å; R158-Q162 PolarHBondContact O-N 2.76Å; D160-Q162 VanDerWaalsContact C-N 3.27Å; D160-Q162 PolarHBondContact O-N 2.76Å; Q162-R164 PolarHBondContact O-N 3.11Å
163P57.1Low67Low113 Ų11385.2 Ų85.273%0.73444%0.441SS*.  trans-57.7138175.223.6-31.2000108A161 A165A161-P163 VanDerWaalsContact O-CD 3.26Å; A161-P163 WeakPolarHBondContact O-CD 3.18Å; A161-P163 VanDerWaalsContact O-N 3.15Å; P163-A165 PolarHBondContact O-N 3.33Å
164R53.5Low65.4Low167 Ų16789.1 Ų89.163%0.6346%0.461SS*.  trans-62.278.6172.1-75.4177.8175160.8-10.1108.5S75 Q162 K166S75-R164 PolarHBondContact OG-NH2 3.3Å; Q162-R164 PolarHBondContact O-N 3.11Å; R164-K166 PolarHBondContact O-N 2.94Å
165A46.4Very low63.7Low53 Ų5386.4 Ų86.444%0.43845%0.45SS..  trans-60.4128178.300000107.2P163 S167P163-A165 PolarHBondContact O-N 3.33Å; A165-S167 PolarHBondContact O-N 3.46Å
166K49.1Very low62.3Low200 Ų20086.3 Ų86.387%0.8745%0.447SS*.THydrogen-bonded Turntrans-44.4111.2-170.5-71.2178.1177177.70110.6R164 F168R164-K166 PolarHBondContact O-N 2.94Å; K166-F168 PolarHBondContact O-N 3.05Å; K166-F168 VanDerWaalsContact O-N 3.08Å
167S55.6Low61.1Low89 Ų8987 Ų8762%0.62245%0.454SS*.THydrogen-bonded Turntrans72.2-65.4167.48.60000118A165 I171A165-S167 PolarHBondContact O-N 3.46Å; S167-I171 WeakPolarHBondContact O-CD1 3.41Å; S167-I171 WeakPolarHBondContact O-CG1 3.42Å
168F54.4Low60.4Low171 Ų17190.5 Ų90.575%0.7546%0.463SS*.Hα-helixtrans-92.8-40.7-165.8-111.5-94.7000115K166 A170 I171 Y172K166-F168 PolarHBondContact O-N 3.05Å; K166-F168 VanDerWaalsContact O-N 3.08Å; F168-A170 VanDerWaalsContact C-N 3.35Å; F168-A170 PolarHBondContact O-N 3.21Å; F168-I171 PolarHBondContact O-N 3.21Å; F168-Y172 WeakPolarHBondContact O-CB 3.42Å; F168-Y172 PolarHBondContact O-N 3.4Å
169G55.4Low60.1Low41 Ų4182.7 Ų82.742%0.42344%0.435SS..Hα-helixtrans-66.2-37.318000000112.6Y172 S173G169-Y172 PolarHBondContact O-N 3.06Å; G169-S173 PolarHBondContact O-N 3.18Å; G169-S173 PolarHBondContact O-OG 3.35Å
170A54.7Low60.5Low17 Ų1780.8 Ų80.814%0.1443%0.427CS..Hα-helixtrans-67-41.2174.900000112F168 Y172 S173 L174F168-A170 VanDerWaalsContact C-N 3.35Å; F168-A170 PolarHBondContact O-N 3.21Å; A170-Y172 VanDerWaalsContact C-N 3.33Å; A170-S173 PolarHBondContact O-N 2.86Å; A170-S173 PolarHBondContact O-OG 3.18Å; A170-L174 VanDerWaalsContact O-CB 3.23Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 WeakPolarHBondContact O-CD1 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.28Å; A170-L174 PolarHBondContact O-N 3.04Å
171I54.1Low60.9Low82 Ų8281.9 Ų81.942%0.42143%0.43SS..Hα-helixtrans-62.6-44.9172.3-70173.5000109.3S167 F168 S173 L174 F175S167-I171 WeakPolarHBondContact O-CD1 3.41Å; S167-I171 WeakPolarHBondContact O-CG1 3.42Å; F168-I171 PolarHBondContact O-N 3.21Å; I171-S173 PolarHBondContact O-N 3.22Å; I171-L174 PolarHBondContact O-N 2.66Å; I171-F175 HydrophobicContact CB-CD2 4.49Å; I171-F175 HydrophobicContact CG2-CD2 3.56Å; I171-F175 HydrophobicContact CG2-CE2 3.83Å; I171-F175 WeakPolarHBondContact O-CB 3.26Å; I171-F175 WeakPolarHBondContact O-CD2 3.36Å; I171-F175 PolarHBondContact O-N 2.79Å
172Y55.3Low61.6Low133 Ų13378.1 Ų78.152%0.52240%0.399SS..Hα-helixtrans-60.9-46.1178.7-170.9-87.4000112.2F168 G169 A170 L174 F175 F176F168-Y172 WeakPolarHBondContact O-CB 3.42Å; F168-Y172 PolarHBondContact O-N 3.4Å; G169-Y172 PolarHBondContact O-N 3.06Å; A170-Y172 VanDerWaalsContact C-N 3.33Å; Y172-L174 VanDerWaalsContact C-N 3.35Å; Y172-L174 PolarHBondContact O-N 3.46Å; Y172-F175 PolarHBondContact O-N 2.97Å; Y172-F176 HydrophobicContact CD1-CB 4.19Å; Y172-F176 HydrophobicContact CD1-CD2 4.25Å; Y172-F176 AromaticContact CD2-CD2 3.29Å; Y172-F176 HydrophobicContact CD2-CD2 3.29Å; Y172-F176 AromaticContact CD2-CE2 3.7Å; Y172-F176 HydrophobicContact CD2-CE2 3.7Å; Y172-F176 HydrophobicContact CD2-CG 4.14Å; Y172-F176 HydrophobicContact CE1-CB 3.9Å; Y172-F176 HydrophobicContact CE1-CD2 4.42Å; Y172-F176 HydrophobicContact CE1-CG 4.45Å; Y172-F176 HydrophobicContact CE2-CB 4.26Å; Y172-F176 AromaticContact CE2-CD2 3.5Å; Y172-F176 HydrophobicContact CE2-CD2 3.5Å; Y172-F176 VanDerWaalsContact CE2-CD2 3.5Å; Y172-F176 AromaticContact CE2-CE2 3.96Å; Y172-F176 HydrophobicContact CE2-CE2 3.96Å; Y172-F176 AromaticContact CE2-CG 3.92Å; Y172-F176 HydrophobicContact CE2-CG 3.92Å; Y172-F176 HydrophobicContact CG-CB 4.49Å; Y172-F176 AromaticContact CG-CD2 3.71Å; Y172-F176 HydrophobicContact CG-CD2 3.71Å; Y172-F176 HydrophobicContact CG-CE2 4.44Å; Y172-F176 HydrophobicContact CG-CG 4.49Å; Y172-F176 WeakPolarHBondContact O-CA 3.42Å; Y172-F176 VanDerWaalsContact O-CB 3.25Å; Y172-F176 WeakPolarHBondContact O-CB 3.44Å; Y172-F176 WeakPolarHBondContact O-CD2 3.37Å; Y172-F176 PolarHBondContact O-N 3.47Å
173S57.2Low62.7Low26 Ų2674.7 Ų74.718%0.18239%0.385CS..Hα-helixtrans-70.5-30.7178.365.30000113G169 A170 I171 G177G169-S173 PolarHBondContact O-N 3.18Å; G169-S173 PolarHBondContact O-OG 3.35Å; A170-S173 PolarHBondContact O-N 2.86Å; A170-S173 PolarHBondContact O-OG 3.18Å; I171-S173 PolarHBondContact O-N 3.22Å; S173-G177 VanDerWaalsContact O-CA 3.31Å; S173-G177 WeakPolarHBondContact O-CA 3.32Å; S173-G177 PolarHBondContact O-N 3.14Å
174L56.4Low64.2Low91 Ų9169.5 Ų69.548%0.47635%0.352SS..Hα-helixtrans-65.9-42172.7-75.6167.5000112.1A170 I171 Y172A170-L174 VanDerWaalsContact O-CB 3.23Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 WeakPolarHBondContact O-CD1 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.28Å; A170-L174 PolarHBondContact O-N 3.04Å; I171-L174 PolarHBondContact O-N 2.66Å; Y172-L174 VanDerWaalsContact C-N 3.35Å; Y172-L174 PolarHBondContact O-N 3.46Å
175F54Low65.8Low80 Ų8068.2 Ų68.235%0.35135%0.351SS..Hα-helixtrans-96.9-18-174.7-73.9-72.7000114.9I171 Y172 F515 L532I171-F175 HydrophobicContact CB-CD2 4.49Å; I171-F175 HydrophobicContact CG2-CD2 3.56Å; I171-F175 HydrophobicContact CG2-CE2 3.83Å; I171-F175 WeakPolarHBondContact O-CB 3.26Å; I171-F175 WeakPolarHBondContact O-CD2 3.36Å; I171-F175 PolarHBondContact O-N 2.79Å; Y172-F175 PolarHBondContact O-N 2.97Å; F175-F515 WeakPolarHBondContact O-CB 3.02Å; F175-F515 WeakPolarHBondContact O-CD1 3.17Å; F175-F515 WeakPolarHBondContact O-CD2 3.49Å; F175-F515 WeakPolarHBondContact O-CG 3.44Å; F175-L532 HydrophobicContact CE1-CD1 3.98Å; F175-L532 HydrophobicContact CZ-CD1 4.39Å
176F56.7Low67.4Low48 Ų4867.5 Ų67.521%0.21134%0.341CS..Hα-helixtrans-126.4-2.1-176.4-56.6-78.6000113.2Y172 P518 L521Y172-F176 HydrophobicContact CD1-CB 4.19Å; Y172-F176 HydrophobicContact CD1-CD2 4.25Å; Y172-F176 AromaticContact CD2-CD2 3.29Å; Y172-F176 HydrophobicContact CD2-CD2 3.29Å; Y172-F176 AromaticContact CD2-CE2 3.7Å; Y172-F176 HydrophobicContact CD2-CE2 3.7Å; Y172-F176 HydrophobicContact CD2-CG 4.14Å; Y172-F176 HydrophobicContact CE1-CB 3.9Å; Y172-F176 HydrophobicContact CE1-CD2 4.42Å; Y172-F176 HydrophobicContact CE1-CG 4.45Å; Y172-F176 HydrophobicContact CE2-CB 4.26Å; Y172-F176 AromaticContact CE2-CD2 3.5Å; Y172-F176 HydrophobicContact CE2-CD2 3.5Å; Y172-F176 VanDerWaalsContact CE2-CD2 3.5Å; Y172-F176 AromaticContact CE2-CE2 3.96Å; Y172-F176 HydrophobicContact CE2-CE2 3.96Å; Y172-F176 AromaticContact CE2-CG 3.92Å; Y172-F176 HydrophobicContact CE2-CG 3.92Å; Y172-F176 HydrophobicContact CG-CB 4.49Å; Y172-F176 AromaticContact CG-CD2 3.71Å; Y172-F176 HydrophobicContact CG-CD2 3.71Å; Y172-F176 HydrophobicContact CG-CE2 4.44Å; Y172-F176 HydrophobicContact CG-CG 4.49Å; Y172-F176 WeakPolarHBondContact O-CA 3.42Å; Y172-F176 VanDerWaalsContact O-CB 3.25Å; Y172-F176 WeakPolarHBondContact O-CB 3.44Å; Y172-F176 WeakPolarHBondContact O-CD2 3.37Å; Y172-F176 PolarHBondContact O-N 3.47Å; F176-P518 HydrophobicContact CE1-CG 4.21Å; F176-P518 HydrophobicContact CZ-CG 4.4Å; F176-L521 HydrophobicContact CE1-CB 4.13Å; F176-L521 HydrophobicContact CE1-CD2 3.61Å; F176-L521 HydrophobicContact CE1-CG 4.33Å; F176-L521 HydrophobicContact CZ-CD2 3.68Å
177G61.8Low68.5Low19 Ų1966 Ų6620%0.19634%0.337CS..SBendtrans-68.7140.117600000112.2S173 S179S173-G177 VanDerWaalsContact O-CA 3.31Å; S173-G177 WeakPolarHBondContact O-CA 3.32Å; S173-G177 PolarHBondContact O-N 3.14Å; G177-S179 PolarHBondContact O-N 2.92Å
178K71.1Confident69.4Low125 Ų12567.3 Ų67.354%0.54333%0.333SS..  trans-66.2124.5169-64.8-176.1176.71780108.8
179S75.2Confident70.1Confident12 Ų1264.4 Ų64.48%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-138.5159.2171.869.10000112E67 G177 Y513E67-S179 WeakPolarHBondContact OE1-CB 3.38Å; E67-S179 PolarHBondContact OE1-OG 2.9Å; G177-S179 PolarHBondContact O-N 2.92Å; S179-Y513 PolarHBondContact N-O 3.36Å; S179-Y513 PolarHBondContact O-N 3.11Å
180Y84.2Confident70.9Confident5 Ų567 Ų672%0.0233%0.332CS..EExtended strand (participates in β ladder)trans-100.9138.5174.2-81-88.3000109.2E40 V68 K151 I152 L155 A510 H511 Q512E40-Y180 PolarHBondContact OE2-OH 3.36Å; V68-Y180 PolarHBondContact N-O 3.47Å; K151-Y180 WeakPolarHBondContact CE-OH 3.44Å; K151-Y180 PolarHBondContact NZ-OH 2.89Å; K151-Y180 VanDerWaalsContact NZ-OH 3.09Å; I152-Y180 HydrophobicContact CB-CD2 4.32Å; I152-Y180 HydrophobicContact CD1-CD1 4.34Å; I152-Y180 HydrophobicContact CD1-CE1 4.48Å; I152-Y180 HydrophobicContact CG1-CD1 4.02Å; I152-Y180 HydrophobicContact CG1-CD2 3.88Å; I152-Y180 HydrophobicContact CG1-CE1 4.05Å; I152-Y180 HydrophobicContact CG1-CE2 3.95Å; I152-Y180 HydrophobicContact CG1-CG 3.89Å; I152-Y180 HydrophobicContact CG2-CD2 4.21Å; I152-Y180 HydrophobicContact CG2-CG 4.18Å; L155-Y180 HydrophobicContact CD1-CD2 4.15Å; L155-Y180 HydrophobicContact CD1-CE2 3.55Å; Y180-A510 HydrophobicContact CD1-CB 3.91Å; Y180-A510 HydrophobicContact CE1-CB 4.27Å; Y180-H511 WeakPolarHBondContact CA-O 3.17Å; Y180-Q512 HydrophobicContact CD1-CB 4.13Å; Y180-Q512 HydrophobicContact CE1-CB 3.69Å; Y180-Q512 HydrophobicContact CE1-CG 4.29Å; Y180-Q512 HydrophobicContact CE2-CG 4.38Å; Y180-Q512 PolarHBondContact OH-OE1 3.34Å
181K86.4Confident71.8Confident64 Ų6466.6 Ų66.628%0.27833%0.328SS..EExtended strand (participates in β ladder)trans-110.9126.6167.3-172.4178.8-179.5174.90108.4H65 G66 V183 H511 Y513H65-K181 PolarHBondContact CE1-NZ 2.89Å; H65-K181 WeakPolarHBondContact NE2-CE 3.47Å; H65-K181 PolarHBondContact NE2-NZ 3.34Å; G66-K181 WeakPolarHBondContact O-CA 3.26Å; K181-V183 HydrophobicContact CG-CG2 4.41Å; K181-H511 PolarHBondContact N-O 3.46Å; K181-H511 PolarHBondContact O-N 3.45Å; K181-Y513 HydrophobicContact CB-CD2 3.87Å; K181-Y513 HydrophobicContact CB-CE2 3.65Å; K181-Y513 HydrophobicContact CD-CE2 3.87Å; K181-Y513 HydrophobicContact CG-CE2 4.39Å
182L89.2Confident73Confident0 Ų065.2 Ų65.20%033%0.325CS..EExtended strand (participates in β ladder)trans-96.5131178.1-57.9-175.3000109.4F42 V64 H65 G66 V68 C81 I106 I508 L509 A510F42-L182 HydrophobicContact CE1-CD2 4.05Å; F42-L182 HydrophobicContact CZ-CD1 4.31Å; F42-L182 HydrophobicContact CZ-CD2 4.36Å; V64-L182 HydrophobicContact CG1-CB 3.94Å; H65-L182 WeakPolarHBondContact CA-O 3.44Å; G66-L182 PolarHBondContact N-O 3.03Å; G66-L182 PolarHBondContact O-N 2.81Å; V68-L182 HydrophobicContact CG2-CD1 3.52Å; V68-L182 HydrophobicContact CG2-CD2 3.89Å; V68-L182 HydrophobicContact CG2-CG 3.35Å; C81-L182 HydrophobicContact CB-CD1 4.49Å; I106-L182 HydrophobicContact CD1-CD1 3.41Å; I106-L182 VanDerWaalsContact CD1-CD1 3.41Å; L182-I508 HydrophobicContact CB-CG2 3.69Å; L182-I508 HydrophobicContact CD1-CG2 4.28Å; L182-I508 HydrophobicContact CD2-CG2 3.78Å; L182-I508 HydrophobicContact CG-CG2 4.07Å; L182-L509 WeakPolarHBondContact CA-O 3.2Å; L182-A510 HydrophobicContact CD2-CB 3.74Å
183V89.1Confident74.4Confident32 Ų3260.5 Ų60.519%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-130.5124.4176-1760000108.4V64 K181 L509V64-V183 VanDerWaalsContact O-CA 3.31Å; V64-V183 WeakPolarHBondContact O-CA 3.33Å; K181-V183 HydrophobicContact CG-CG2 4.41Å; V183-L509 PolarHBondContact N-O 3.45Å; V183-L509 WeakPolarHBondContact O-CB 3.48Å; V183-L509 PolarHBondContact O-N 3.12Å
184S89.2Confident75.7Confident5 Ų563.5 Ų63.54%0.03532%0.322CS..EExtended strand (participates in β ladder)trans-64.6136.1171.855.30000110V64 V186 D506V64-S184 PolarHBondContact N-OG 2.84Å; V64-S184 VanDerWaalsContact N-OG 3.08Å; V64-S184 PolarHBondContact O-N 3.41Å; S184-V186 VanDerWaalsContact C-N 3.25Å; S184-V186 WeakPolarHBondContact CB-O 3.45Å; S184-V186 PolarHBondContact O-N 2.82Å; S184-V186 PolarHBondContact OG-O 3.08Å; S184-D506 WeakPolarHBondContact CB-OD2 3.3Å
185K86.1Confident77.2Confident140 Ų14062.8 Ų62.861%0.60931%0.313SS*.SBendtrans-63.1-38.9174-176177.6179.7-179.40110.3Q187 T507K185-Q187 PolarHBondContact O-N 3.49Å; K185-T507 WeakPolarHBondContact CB-O 3.22Å; K185-T507 PolarHBondContact N-O 3.34Å
186V80Confident78.9Confident38 Ų3860.7 Ų60.723%0.2331%0.309CS..  trans-75.9123.5172.7-179.30000110.1S184 Q188 D506S184-V186 VanDerWaalsContact C-N 3.25Å; S184-V186 WeakPolarHBondContact CB-O 3.45Å; S184-V186 PolarHBondContact O-N 2.82Å; S184-V186 PolarHBondContact OG-O 3.08Å; V186-Q188 HydrophobicContact CG1-CB 3.77Å; V186-Q188 HydrophobicContact CG1-CG 4.21Å; V186-D506 WeakPolarHBondContact CG2-OD1 3.28Å; V186-D506 PolarHBondContact N-OD1 3.15Å
187Q71.6Confident80.6Confident167 Ų16758.5 Ų58.578%0.7830%0.299SS*.  trans-92.6-9.5177.2-61.1-170.34.100113.3K185 L189K185-Q187 PolarHBondContact O-N 3.49Å; Q187-L189 PolarHBondContact O-N 3.37Å
188Q76Confident82.1Confident118 Ų11858.2 Ų58.255%0.55129%0.292SS*.  trans-64.1133.9175.4-67175.7-22.800110.2R62 V186R62-Q188 WeakPolarHBondContact CB-O 3.45Å; V186-Q188 HydrophobicContact CG1-CB 3.77Å; V186-Q188 HydrophobicContact CG1-CG 4.21Å
189L68.3Low83.3Confident110 Ų11052.2 Ų52.258%0.57627%0.266SS*.SBendtrans-77-32.4178.9-69.2171.2000112.4R62 R63 Q187R62-L189 PolarHBondContact N-O 3.45Å; R63-L189 HydrophobicContact CB-CD2 3.88Å; R63-L189 HydrophobicContact CG-CD2 4.49Å; Q187-L189 PolarHBondContact O-N 3.37Å
190V72Confident84.4Confident96 Ų9651.8 Ų51.858%0.58226%0.263SS*.SBendtrans-121.2148.5-172.1-171.30000109.9R62R62-V190 PolarHBondContact NH1-O 3.45Å
191A74.2Confident85Confident7 Ų752 Ų526%0.05827%0.265CS..PPolyproline II helixtrans-80.2152.2174.500000112.1R46 A193 Y501 G502R46-A191 VanDerWaalsContact NH1-CB 3.32Å; A191-A193 PolarHBondContact O-N 2.96Å; A191-Y501 HydrophobicContact CB-CD1 4.17Å; A191-Y501 HydrophobicContact CB-CG 4.44Å; A191-G502 WeakPolarHBondContact CB-O 3.44Å
192P79.3Confident85.5Confident53 Ų5348.9 Ų48.934%0.34425%0.251SS..PPolyproline II helixtrans-61.4131.2169.527.4-33.2000109.7Y194 Y501 G502P192-Y194 HydrophobicContact CB-CE2 4.03Å; P192-Y194 HydrophobicContact CG-CE2 3.95Å; P192-Y501 CarbonylContact O-C 3.58Å; P192-Y501 WeakPolarHBondContact O-CA 3.47Å; P192-G502 PolarHBondContact O-N 3.3Å
193A83.9Confident85.8Confident35 Ų3552 Ų5229%0.28926%0.263SS..EExtended strand (participates in β ladder)trans-94.9137178.800000110.5A191 Y195 V499 Y501A191-A193 PolarHBondContact O-N 2.96Å; A193-Y195 HydrophobicContact CB-CE2 4.1Å; A193-V499 HydrophobicContact CB-CG1 3.71Å; A193-Y501 HydrophobicContact CB-CD1 4.17Å; A193-Y501 HydrophobicContact CB-CE1 4.04Å
194Y85.9Confident86Confident88 Ų8850.5 Ų50.535%0.34525%0.254SS..EExtended strand (participates in β ladder)trans-125.7139.9179.9-58.6-81.3000110.3P192 V462 I500P192-Y194 HydrophobicContact CB-CE2 4.03Å; P192-Y194 HydrophobicContact CG-CE2 3.95Å; Y194-V462 HydrophobicContact CD1-CG1 3.17Å; Y194-V462 HydrophobicContact CD2-CB 4.23Å; Y194-V462 HydrophobicContact CD2-CG1 3.44Å; Y194-V462 VanDerWaalsContact CD2-CG1 3.44Å; Y194-V462 HydrophobicContact CD2-CG2 3.71Å; Y194-V462 HydrophobicContact CE1-CG1 3.45Å; Y194-V462 VanDerWaalsContact CE1-CG1 3.45Å; Y194-V462 HydrophobicContact CE2-CB 4.38Å; Y194-V462 HydrophobicContact CE2-CG1 3.69Å; Y194-V462 HydrophobicContact CE2-CG2 4.01Å; Y194-V462 HydrophobicContact CG-CB 4.3Å; Y194-V462 HydrophobicContact CG-CG1 3.15Å; Y194-V462 HydrophobicContact CG-CG2 4.17Å; Y194-I500 PolarHBondContact N-O 3.19Å; Y194-I500 PolarHBondContact O-N 3.28Å
195Y87Confident86.1Confident77 Ų7751.6 Ų51.630%0.30226%0.261SS..  trans-124.214.4-170-55.3-79.8000112A193 Q490 T491 A493 P496 F498 V499A193-Y195 HydrophobicContact CB-CE2 4.1Å; Y195-Q490 WeakPolarHBondContact O-CA 3.31Å; Y195-T491 HydrophobicContact CD1-CG2 3.85Å; Y195-T491 HydrophobicContact CG-CG2 4.26Å; Y195-T491 PolarHBondContact O-N 3.44Å; Y195-A493 HydrophobicContact CE2-CB 4.3Å; Y195-P496 HydrophobicContact CD1-CB 3.97Å; Y195-P496 HydrophobicContact CE1-CB 3.96Å; Y195-P496 HydrophobicContact CE1-CG 4.35Å; Y195-F498 WeakPolarHBondContact O-CZ 3.44Å; Y195-V499 HydrophobicContact CD1-CG2 4.19Å; Y195-V499 HydrophobicContact CE1-CB 4.38Å; Y195-V499 HydrophobicContact CE1-CG1 3.95Å; Y195-V499 HydrophobicContact CE1-CG2 3.71Å
196S89.9Confident86.3Confident36 Ų3645 Ų4525%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-123.8140.5-176.760.70000112.3A489S196-A489 CarbonylContact C-O 3.51Å; S196-A489 WeakPolarHBondContact CA-O 3.42Å
197L92.1Very high86.5Confident1 Ų149 Ų491%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-126.6146.4169-63.9167.6000108.5L280 Q458 R488 A489 F498 I500L197-L280 HydrophobicContact CD1-CB 3.53Å; L197-L280 HydrophobicContact CD1-CD1 4.06Å; L197-L280 HydrophobicContact CD1-CG 4.47Å; L197-Q458 HydrophobicContact CD2-CG 3.7Å; L197-R488 CarbonylContact O-C 3.55Å; L197-R488 WeakPolarHBondContact O-CA 3.31Å; L197-A489 HydrophobicContact CB-CB 4.28Å; L197-A489 PolarHBondContact N-O 2.91Å; L197-A489 PolarHBondContact O-N 3.3Å; L197-F498 HydrophobicContact CB-CZ 4.43Å; L197-F498 HydrophobicContact CD1-CD2 4.33Å; L197-F498 HydrophobicContact CD1-CE1 4.03Å; L197-F498 HydrophobicContact CD1-CE2 3.84Å; L197-F498 HydrophobicContact CD1-CZ 3.67Å; L197-F498 HydrophobicContact CD2-CE2 4.37Å; L197-F498 HydrophobicContact CG-CD2 4.49Å; L197-F498 HydrophobicContact CG-CE1 4.45Å; L197-F498 HydrophobicContact CG-CE2 3.65Å; L197-F498 HydrophobicContact CG-CZ 3.62Å; L197-I500 HydrophobicContact CD2-CD1 3.54Å; L197-I500 HydrophobicContact CG-CD1 4.35Å
198E94.2Very high86.7Confident13 Ų1344 Ų446%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-113.5144.5178.5-57.9-170.2120.600109Y222 G273 L464 I486 S487 R488E198-Y222 PolarHBondContact O-OH 3.44Å; E198-G273 WeakPolarHBondContact O-CA 3.45Å; E198-G273 PolarHBondContact O-N 2.93Å; E198-L464 HydrophobicContact CB-CB 4.13Å; E198-L464 HydrophobicContact CB-CD2 3.92Å; E198-L464 HydrophobicContact CG-CB 4.48Å; E198-L464 WeakPolarHBondContact OE2-CB 3.34Å; E198-L464 PolarHBondContact OE2-N 3.22Å; E198-I486 HydrophobicContact CB-CG2 4.03Å; E198-I486 HydrophobicContact CG-CG2 4.47Å; E198-S487 CarbonylContact C-O 3.26Å; E198-S487 WeakPolarHBondContact CA-O 3.41Å; E198-R488 HydrophobicContact CG-CG 4.17Å; E198-R488 IonicContact OE1-CZ 2.64Å; E198-R488 IonicContact OE1-NE 3.28Å; E198-R488 PolarHBondContact OE1-NE 2.89Å; E198-R488 IonicContact OE1-NH2 3.89Å; E198-R488 PolarHBondContact OE1-NH2 2.91Å
199T96.2Very high86.4Confident0 Ų046.5 Ų46.50%024%0.238CC..EExtended strand (participates in β ladder)trans-131.4121.3178-68.50000107.5V201 I270 L271 G273 G281 W285 I486 S487T199-V201 HydrophobicContact CG2-CG2 4.1Å; T199-I270 HydrophobicContact CG2-CG2 3.61Å; T199-L271 CarbonylContact C-O 3.53Å; T199-L271 WeakPolarHBondContact CA-O 3.3Å; T199-G273 PolarHBondContact OG1-N 2.85Å; T199-G281 WeakPolarHBondContact OG1-CA 3.4Å; T199-W285 HydrophobicContact CG2-CB 4.38Å; T199-I486 CarbonylContact O-C 3.09Å; T199-I486 WeakPolarHBondContact O-CA 2.9Å; T199-S487 PolarHBondContact N-O 3.33Å; T199-S487 PolarHBondContact O-N 3.47Å
200I97.2Very high86.5Confident2 Ų250.2 Ų50.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-87.5130.5-179.4-43.9167.2000107.6I270 L271 L464 L473 V474 V477I200-I270 WeakPolarHBondContact O-CA 3.22Å; I200-L271 HydrophobicContact CB-CB 4.14Å; I200-L271 HydrophobicContact CD1-CB 4.38Å; I200-L271 HydrophobicContact CD1-CD1 4.33Å; I200-L271 PolarHBondContact N-O 2.65Å; I200-L271 PolarHBondContact O-N 2.72Å; I200-L464 HydrophobicContact CD1-CD2 3.9Å; I200-L464 HydrophobicContact CG1-CD2 3.67Å; I200-L473 HydrophobicContact CD1-CB 3.69Å; I200-V474 HydrophobicContact CD1-CG2 3.55Å; I200-V474 HydrophobicContact CG1-CG2 3.81Å; I200-V474 HydrophobicContact CG2-CG2 4.29Å; I200-V477 HydrophobicContact CG2-CB 4.09Å; I200-V477 HydrophobicContact CG2-CG1 4.13Å; I200-V477 HydrophobicContact CG2-CG2 4.12Å
201V97.1Very high86Confident9 Ų951.2 Ų51.26%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-128.4117.1-178.9-176.10000108.5T199 I268 F269 I270 T484 T485T199-V201 HydrophobicContact CG2-CG2 4.1Å; V201-I268 HydrophobicContact CG1-CG2 3.56Å; V201-F269 CarbonylContact C-O 3.48Å; V201-F269 VanDerWaalsContact CA-O 3.31Å; V201-F269 WeakPolarHBondContact CA-O 3.15Å; V201-I270 HydrophobicContact CG1-CG1 4.45Å; V201-T484 CarbonylContact O-C 3.52Å; V201-T484 WeakPolarHBondContact O-CA 2.98Å; V201-T485 PolarHBondContact N-O 3.43Å; V201-T485 PolarHBondContact O-N 2.91Å
202G96.6Very high85.9Confident0 Ų057.9 Ų57.90%027%0.272CS..EExtended strand (participates in β ladder)trans-105.8140.3171.400000110.9I268 F269 E483G202-I268 CarbonylContact O-C 3.6Å; G202-I268 WeakPolarHBondContact O-CA 3.28Å; G202-F269 PolarHBondContact N-O 2.95Å; G202-F269 PolarHBondContact O-N 2.84Å; G202-E483 CarbonylContact C-O 3.59Å; G202-E483 WeakPolarHBondContact CA-O 3.4Å
203R95.3Very high86.2Confident65 Ų6556 Ų5625%0.24526%0.26CS..EExtended strand (participates in β ladder)trans-119.3137.1178.9-174.2-178.9178.1112.53.6111.3I268 D482 E483R203-I268 HydrophobicContact CG-CG1 4.46Å; R203-D482 WeakPolarHBondContact O-CB 3.35Å; R203-D482 PolarHBondContact O-N 2.89Å; R203-E483 HydrophobicContact CB-CB 4.33Å; R203-E483 PolarHBondContact N-O 3.32Å
204L94.5Very high86.4Confident1 Ų156 Ų561%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-116.5118.7164-63.1179.4000108.5L249 F252 Y256 L267 F269L204-L249 HydrophobicContact CD1-CD1 4.2Å; L204-L249 HydrophobicContact CG-CD1 4.28Å; L204-F252 HydrophobicContact CD1-CB 3.69Å; L204-Y256 HydrophobicContact CB-CD1 3.65Å; L204-Y256 HydrophobicContact CB-CE1 4.02Å; L204-Y256 HydrophobicContact CB-CG 4.1Å; L204-Y256 HydrophobicContact CD1-CD2 4.41Å; L204-Y256 HydrophobicContact CD1-CG 4.24Å; L204-L267 HydrophobicContact CB-CB 4.27Å; L204-L267 HydrophobicContact CD1-CD1 4.5Å; L204-L267 PolarHBondContact N-O 3.14Å; L204-L267 PolarHBondContact O-N 3.41Å; L204-F269 HydrophobicContact CD1-CE2 3.78Å; L204-F269 HydrophobicContact CD1-CZ 4.41Å; L204-F269 HydrophobicContact CG-CE2 4.14Å
205S91.4Very high86.7Confident27 Ų2751.8 Ų51.819%0.18924%0.241CC..  trans-82.1143.7-174.4-68.90000111.4Y256 R262 N266 D482S205-Y256 WeakPolarHBondContact O-CD1 3.15Å; S205-R262 VanDerWaalsContact C-NH2 3.32Å; S205-R262 VanDerWaalsContact CB-NH2 3.28Å; S205-R262 PolarHBondContact O-NE 3.36Å; S205-R262 PolarHBondContact O-NH2 2.92Å; S205-N266 WeakPolarHBondContact CA-OD1 3.36Å; S205-D482 PolarHBondContact N-OD2 2.88Å
206A89.6Confident87.2Confident1 Ų148.1 Ų48.11%0.00823%0.227CC..  trans-66.3167179.900000113.4V213 R262 Y265 N266A206-V213 HydrophobicContact CB-CB 4.47Å; A206-V213 HydrophobicContact CB-CG1 3.53Å; A206-R262 VanDerWaalsContact C-NE 3.27Å; A206-R262 VanDerWaalsContact O-CZ 3.28Å; A206-R262 PolarHBondContact O-NE 2.78Å; A206-R262 PolarHBondContact O-NH2 3.47Å; A206-Y265 WeakPolarHBondContact CA-O 3.3Å; A206-Y265 VanDerWaalsContact CB-C 3.46Å; A206-Y265 WeakPolarHBondContact CB-O 3.43Å; A206-N266 PolarHBondContact N-OD1 3.06Å
207F84.9Confident87.5Confident124 Ų12446.4 Ų46.454%0.54422%0.215SC..SBendtrans-63.5-42.5172.6177.1-95.9000112.1S259 R262 A263F207-S259 WeakPolarHBondContact CD2-O 3.49Å; F207-S259 WeakPolarHBondContact CE2-O 3.37Å; F207-R262 HydrophobicContact CB-CB 4.06Å; F207-R262 HydrophobicContact CB-CG 3.92Å; F207-R262 HydrophobicContact CD2-CB 4.31Å; F207-A263 PolarHBondContact N-O 2.98Å
208D76.3Confident87.8Confident60 Ų6046.4 Ų46.432%0.32121%0.214SC..  trans-81.7128.6174.8-162-8.5000108.9R210 V213D208-R210 WeakPolarHBondContact OD1-CD 3.33Å; D208-R210 WeakPolarHBondContact OD1-CG 3.48Å; D208-R210 PolarHBondContact OD1-N 2.95Å; D208-R210 IonicContact OD1-NE 3.26Å; D208-R210 VanDerWaalsContact OD2-CD 3.29Å; D208-R210 WeakPolarHBondContact OD2-CD 3.47Å; D208-R210 IonicContact OD2-CZ 3.01Å; D208-R210 IonicContact OD2-NE 3.58Å; D208-R210 PolarHBondContact OD2-NE 2.92Å; D208-V213 HydrophobicContact CB-CG2 3.96Å; D208-V213 WeakPolarHBondContact O-CG2 3.28Å
209Q69.6Low88Confident171 Ų17145.8 Ų45.880%0.79921%0.212SC*.  trans-99.310.4178.2-66.4-175-3.700112.3
210R68.5Low88Confident188 Ų18845.8 Ų45.871%0.70921%0.212SC*.SBendtrans-57.9148.1171.7-72.4171.3-160.1-168.1-0110.7D208 H212 V213D208-R210 WeakPolarHBondContact OD1-CD 3.33Å; D208-R210 WeakPolarHBondContact OD1-CG 3.48Å; D208-R210 PolarHBondContact OD1-N 2.95Å; D208-R210 IonicContact OD1-NE 3.26Å; D208-R210 VanDerWaalsContact OD2-CD 3.29Å; D208-R210 WeakPolarHBondContact OD2-CD 3.47Å; D208-R210 IonicContact OD2-CZ 3.01Å; D208-R210 IonicContact OD2-NE 3.58Å; D208-R210 PolarHBondContact OD2-NE 2.92Å; R210-H212 PolarHBondContact O-N 3.35Å; R210-V213 WeakPolarHBondContact O-CG2 3.24Å
211E63.3Low88Confident117 Ų11745.7 Ų45.755%0.54721%0.211SC..THydrogen-bonded Turntrans-59.7-23.7-175.2-63.1-172.6176.600113.7S298E211-S298 PolarHBondContact OE2-OG 3.35Å
212H71.8Confident87.9Confident147 Ų14745.3 Ų45.368%0.68121%0.209SC*.THydrogen-bonded Turntrans-103.930.4-171.1-58.8-46.7000115.6R210 S214 G299R210-H212 PolarHBondContact O-N 3.35Å; H212-S214 PolarHBondContact O-N 3.38Å; H212-G299 VanDerWaalsContact CE1-CA 3.47Å; H212-G299 WeakPolarHBondContact CE1-CA 3.31Å
213V84.4Confident87.8Confident14 Ų1445.3 Ų45.39%0.08521%0.209CC..  trans-76.3126.9178.4177.10000111.8A206 D208 R210 K264 N266A206-V213 HydrophobicContact CB-CB 4.47Å; A206-V213 HydrophobicContact CB-CG1 3.53Å; D208-V213 HydrophobicContact CB-CG2 3.96Å; D208-V213 WeakPolarHBondContact O-CG2 3.28Å; R210-V213 WeakPolarHBondContact O-CG2 3.24Å; V213-K264 WeakPolarHBondContact CG1-O 3.48Å; V213-N266 PolarHBondContact O-ND2 2.7Å
214S89.4Confident87.7Confident35 Ų3542.3 Ų42.325%0.24520%0.198CC..  trans-55.6136.3174.6-78.40000111.9H212 Y265 N266 E304H212-S214 PolarHBondContact O-N 3.38Å; S214-Y265 WeakPolarHBondContact O-CA 3.43Å; S214-N266 PolarHBondContact O-N 3.37Å; S214-E304 WeakPolarHBondContact CB-OE2 3.38Å; S214-E304 PolarHBondContact OG-OE2 3.03Å
215T92.5Very high87.5Confident0 Ų042.7 Ų42.70%020%0.2CC..EExtended strand (participates in β ladder)trans-110.7134.5178-59.90000111.2N266 I268 S301 S302 I303 E304T215-N266 CarbonylContact C-O 3.48Å; T215-N266 VanDerWaalsContact CA-O 3.3Å; T215-N266 WeakPolarHBondContact CA-O 3.43Å; T215-N266 HydrophobicContact CG2-CB 4.12Å; T215-N266 WeakPolarHBondContact OG1-CB 3.18Å; T215-I268 HydrophobicContact CG2-CB 4.36Å; T215-I268 HydrophobicContact CG2-CD1 3.54Å; T215-I268 HydrophobicContact CG2-CG1 3.62Å; T215-S301 VanDerWaalsContact OG1-CB 3.26Å; T215-S301 WeakPolarHBondContact OG1-CB 3.3Å; T215-S301 PolarHBondContact OG1-OG 2.79Å; T215-S302 PolarHBondContact N-O 2.91Å; T215-I303 CarbonylContact O-C 3.24Å; T215-I303 WeakPolarHBondContact O-CA 3.36Å; T215-E304 PolarHBondContact O-N 3.3Å
216I95.8Very high87.6Confident0 Ų041.4 Ų41.40%019%0.191CC..EExtended strand (participates in β ladder)trans-105.4123.7168.8-58.4172.9000107.6I218 Y265 N266 L267 I268 F305 Y422 I423I216-I218 HydrophobicContact CG2-CG1 4.49Å; I216-Y265 HydrophobicContact CD1-CD1 4.2Å; I216-Y265 HydrophobicContact CD1-CD2 4.44Å; I216-Y265 HydrophobicContact CD1-CG 4.05Å; I216-Y265 HydrophobicContact CG1-CD1 4.3Å; I216-Y265 HydrophobicContact CG1-CG 4.47Å; I216-N266 PolarHBondContact N-O 3.41Å; I216-L267 HydrophobicContact CB-CD2 3.86Å; I216-L267 HydrophobicContact CD1-CD2 4.34Å; I216-L267 WeakPolarHBondContact O-CA 3.15Å; I216-I268 PolarHBondContact O-N 2.64Å; I216-F305 HydrophobicContact CD1-CE1 4.22Å; I216-F305 HydrophobicContact CD1-CZ 4.1Å; I216-F305 HydrophobicContact CG1-CE1 4.18Å; I216-F305 HydrophobicContact CG1-CZ 4.22Å; I216-F305 HydrophobicContact CG2-CD2 4.29Å; I216-F305 HydrophobicContact CG2-CE1 4.45Å; I216-F305 HydrophobicContact CG2-CE2 3.68Å; I216-F305 HydrophobicContact CG2-CZ 3.78Å; I216-Y422 HydrophobicContact CD1-CD1 3.96Å; I216-Y422 HydrophobicContact CD1-CE1 3.94Å; I216-I423 HydrophobicContact CD1-CD1 4.29Å; I216-I423 HydrophobicContact CD1-CG1 3.86Å
217A96.8Very high87.7Confident0 Ų041.4 Ų41.40%019%0.19CC..EExtended strand (participates in β ladder)trans-95.7131.5174.200000109.8V219 I268 I270 I303 F305 A306 L307A217-V219 HydrophobicContact CB-CG2 4.24Å; A217-I268 CarbonylContact C-O 3.52Å; A217-I268 WeakPolarHBondContact CA-O 3.07Å; A217-I270 HydrophobicContact CB-CD1 4.35Å; A217-I303 HydrophobicContact CB-CG2 4.44Å; A217-F305 PolarHBondContact N-O 2.74Å; A217-F305 VanDerWaalsContact N-O 3.09Å; A217-A306 HydrophobicContact CB-CB 3.97Å; A217-A306 CarbonylContact O-C 3.52Å; A217-A306 VanDerWaalsContact O-CA 3.3Å; A217-A306 WeakPolarHBondContact O-CA 3.49Å; A217-L307 PolarHBondContact O-N 3.37Å
218I98.1Very high88.1Confident0 Ų035.5 Ų35.50%017%0.165CC..EExtended strand (participates in β ladder)trans-115.8118.4174.4-56.5162.7000106.2I216 L245 L248 I268 F269 I270 L307 L309 L419I216-I218 HydrophobicContact CG2-CG1 4.49Å; I218-L245 HydrophobicContact CG2-CD1 4.28Å; I218-L245 HydrophobicContact CG2-CG 4.22Å; I218-L248 HydrophobicContact CG2-CD1 4.08Å; I218-I268 PolarHBondContact N-O 3.3Å; I218-F269 HydrophobicContact CB-CD1 4.14Å; I218-F269 HydrophobicContact CB-CE1 4.35Å; I218-F269 HydrophobicContact CD1-CD1 4.08Å; I218-F269 HydrophobicContact CD1-CE1 3.46Å; I218-F269 VanDerWaalsContact CD1-CE1 3.46Å; I218-F269 HydrophobicContact CD1-CZ 3.72Å; I218-F269 HydrophobicContact CG1-CE1 4.5Å; I218-F269 HydrophobicContact CG2-CD1 4.39Å; I218-F269 CarbonylContact O-C 3.6Å; I218-F269 WeakPolarHBondContact O-CA 3.49Å; I218-I270 PolarHBondContact O-N 2.53Å; I218-L307 CarbonylContact C-O 3.54Å; I218-L307 WeakPolarHBondContact CA-O 3.42Å; I218-L309 HydrophobicContact CG2-CD1 3.97Å; I218-L419 HydrophobicContact CD1-CD2 3.71Å; I218-L419 HydrophobicContact CG1-CD2 4.4Å
219V98Very high88.9Confident0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-126.2134.8-164.5-168.10000109.4A217 I270 A306 L307 C308 L309 E368 F372A217-V219 HydrophobicContact CB-CG2 4.24Å; V219-I270 WeakPolarHBondContact CA-O 3.08Å; V219-I270 HydrophobicContact CB-CB 4.41Å; V219-I270 HydrophobicContact CG1-CB 4.06Å; V219-I270 HydrophobicContact CG1-CG2 4.18Å; V219-I270 HydrophobicContact CG2-CB 4.19Å; V219-I270 HydrophobicContact CG2-CD1 4.05Å; V219-I270 HydrophobicContact CG2-CG1 4.44Å; V219-A306 HydrophobicContact CG2-CB 4.4Å; V219-L307 PolarHBondContact N-O 2.97Å; V219-C308 CarbonylContact O-C 3.55Å; V219-C308 VanDerWaalsContact O-CA 3.31Å; V219-C308 WeakPolarHBondContact O-CA 3.49Å; V219-L309 PolarHBondContact O-N 3.36Å; V219-E368 VanDerWaalsContact CG1-CD 3.46Å; V219-E368 HydrophobicContact CG1-CG 4.32Å; V219-E368 VanDerWaalsContact CG1-OE1 3.29Å; V219-E368 WeakPolarHBondContact CG1-OE1 3.46Å; V219-F372 HydrophobicContact CG1-CE2 4.28Å; V219-F372 HydrophobicContact CG1-CZ 4.3Å; V219-F372 HydrophobicContact CG2-CE2 4.15Å; V219-F372 HydrophobicContact CG2-CZ 3.73Å
220A97.7Very high89.9Confident0 Ų025.3 Ų25.30%012%0.117CC..EExtended strand (participates in β ladder)trans-145.2144.5166.700000108.7V242 L245 I270 L271 S272 L309A220-V242 HydrophobicContact CB-CG2 4.42Å; A220-L245 HydrophobicContact CB-CB 4.27Å; A220-L245 HydrophobicContact CB-CD1 3.7Å; A220-I270 PolarHBondContact N-O 3.21Å; A220-L271 HydrophobicContact CB-CD2 4.33Å; A220-L271 CarbonylContact O-C 3.42Å; A220-L271 VanDerWaalsContact O-CA 3.24Å; A220-L271 WeakPolarHBondContact O-CA 2.95Å; A220-S272 PolarHBondContact O-N 3.02Å; A220-L309 HydrophobicContact CB-CB 4.32Å
221H96.3Very high91Very high0 Ų021.2 Ų21.20%010%0.102CC..EExtended strand (participates in β ladder)trans-90.1133.8172.27184.4000111.3D223 N238 S272 F279 D310H221-D223 PolarHBondContact CE1-O 2.98Å; H221-D223 IonicContact CG-OD1 3.49Å; H221-D223 PolarHBondContact ND1-O 3.46Å; H221-D223 IonicContact ND1-OD1 3.58Å; H221-D223 PolarHBondContact ND1-OD1 3.07Å; H221-N238 PolarHBondContact CD2-ND2 3.4Å; H221-N238 WeakPolarHBondContact CE1-CB 3.3Å; H221-N238 PolarHBondContact N-ND2 3.21Å; H221-N238 WeakPolarHBondContact NE2-CB 3.5Å; H221-N238 PolarHBondContact NE2-ND2 3.47Å; H221-N238 PolarHBondContact O-ND2 3.16Å; H221-S272 CarbonylContact C-O 3.51Å; H221-S272 VanDerWaalsContact CA-O 3.26Å; H221-S272 WeakPolarHBondContact CA-O 3.38Å; H221-S272 VanDerWaalsContact CA-OG 3.31Å; H221-S272 WeakPolarHBondContact CA-OG 3.27Å; H221-S272 VanDerWaalsContact CB-OG 3.24Å; H221-S272 WeakPolarHBondContact CB-OG 3.33Å; H221-F279 AromaticContact CD2-CE1 3.85Å; H221-D310 IonicContact NE2-OD1 3.46Å
222Y95.1Very high92.4Very high1 Ų115.7 Ų15.70%0.0048%0.076CC..  trans-89.8-10.1-174.461.3-104.6000114.3E198 L271 S272 G273 R456 L461 L464 L473E198-Y222 PolarHBondContact O-OH 3.44Å; Y222-L271 HydrophobicContact CD1-CB 4.08Å; Y222-S272 WeakPolarHBondContact CD1-O 3.31Å; Y222-S272 VanDerWaalsContact CE1-C 3.42Å; Y222-S272 WeakPolarHBondContact CE1-O 3.28Å; Y222-S272 PolarHBondContact N-O 3.03Å; Y222-G273 VanDerWaalsContact CZ-CA 3.45Å; Y222-G273 WeakPolarHBondContact OH-CA 3.36Å; Y222-R456 PolarHBondContact O-NH1 2.77Å; Y222-L461 HydrophobicContact CD2-CD1 3.52Å; Y222-L461 HydrophobicContact CE2-CB 4.37Å; Y222-L461 HydrophobicContact CE2-CD1 3.52Å; Y222-L464 HydrophobicContact CD2-CD1 4.48Å; Y222-L464 HydrophobicContact CE1-CD1 4.38Å; Y222-L464 HydrophobicContact CE1-CD2 4.39Å; Y222-L464 HydrophobicContact CE2-CD1 3.76Å; Y222-L473 HydrophobicContact CG-CD1 4.24Å
223D93.8Very high93.4Very high0 Ų010.3 Ų10.30%05%0.051CC..  trans-87.6153.6-174.369.7-46.3000113.4H221 G274 G275 K276 R456 Q458H221-D223 PolarHBondContact CE1-O 2.98Å; H221-D223 IonicContact CG-OD1 3.49Å; H221-D223 PolarHBondContact ND1-O 3.46Å; H221-D223 IonicContact ND1-OD1 3.58Å; H221-D223 PolarHBondContact ND1-OD1 3.07Å; D223-G274 VanDerWaalsContact OD2-C 3.31Å; D223-G274 VanDerWaalsContact OD2-CA 3.29Å; D223-G274 WeakPolarHBondContact OD2-CA 3.45Å; D223-G275 VanDerWaalsContact OD1-CA 3.23Å; D223-G275 WeakPolarHBondContact OD1-CA 3.19Å; D223-G275 PolarHBondContact OD1-N 3.29Å; D223-G275 PolarHBondContact OD2-N 2.83Å; D223-K276 PolarHBondContact OD2-N 2.75Å; D223-R456 WeakPolarHBondContact CA-O 3.14Å; D223-Q458 HydrophobicContact CB-CB 4.11Å
224T93.6Very high93.6Very high2 Ų29.8 Ų9.81%0.0125%0.048CC..BIsolated β-bridgetrans-127.6166.1-178.572.60000110.7A232 R456 S457T224-A232 PolarHBondContact OG1-O 3.28Å; T224-R456 HydrophobicContact CG2-CB 3.88Å; T224-R456 PolarHBondContact N-O 3.49Å; T224-R456 VanDerWaalsContact OG1-C 3.25Å; T224-R456 PolarHBondContact OG1-O 3.06Å; T224-S457 VanDerWaalsContact O-CA 3.29Å; T224-S457 WeakPolarHBondContact O-CA 3.06Å; T224-S457 PolarHBondContact O-OG 2.92Å; T224-S457 PolarHBondContact OG1-N 3.18Å
225L91.6Very high93.5Very high10 Ų108.6 Ų8.65%0.0524%0.038CC..  trans-138.9144.5175-172.668.4000109.2P48 F50 I132 K276 H394 S395P48-L225 HydrophobicContact CB-CD1 4.12Å; P48-L225 HydrophobicContact CG-CD1 4.42Å; F50-L225 HydrophobicContact CE1-CD1 4.04Å; I132-L225 HydrophobicContact CG2-CD2 4.07Å; L225-K276 HydrophobicContact CB-CB 3.96Å; L225-K276 HydrophobicContact CB-CG 4.07Å; L225-H394 CarbonylContact O-C 3.58Å; L225-H394 WeakPolarHBondContact O-CA 3.34Å; L225-S395 PolarHBondContact O-N 3.38Å
226G92.2Very high93.5Very high0 Ų09 Ų90%04%0.041CC..  trans-169.6175.8174.200000111.1A228G226-A228 PolarHBondContact O-N 2.92Å
227L92.5Very high93.3Very high0 Ų09 Ų90%04%0.041CC..SBendtrans-54.7-38.3-177.8-166.873.7000113.3L47 P48 F124 M127 E128 L131 I142 I396L47-L227 WeakPolarHBondContact CA-O 3.24Å; L47-L227 HydrophobicContact CD2-CD1 3.37Å; L47-L227 HydrophobicContact CD2-CG 4.01Å; L47-L227 HydrophobicContact CG-CD1 4.4Å; P48-L227 VanDerWaalsContact CD-O 3.24Å; P48-L227 WeakPolarHBondContact CD-O 3.5Å; F124-L227 HydrophobicContact CZ-CD2 4.08Å; M127-L227 HydrophobicContact CE-CD2 4.49Å; E128-L227 HydrophobicContact CB-CD1 4.35Å; E128-L227 HydrophobicContact CG-CB 3.88Å; E128-L227 HydrophobicContact CG-CD1 4.16Å; E128-L227 VanDerWaalsContact OE1-CB 3.24Å; E128-L227 WeakPolarHBondContact OE1-CB 3.27Å; E128-L227 PolarHBondContact OE1-N 2.78Å; L131-L227 HydrophobicContact CB-CD1 3.91Å; L131-L227 HydrophobicContact CD1-CD1 3.78Å; L131-L227 HydrophobicContact CG-CD1 4.49Å; I142-L227 HydrophobicContact CD1-CD1 4.37Å; I142-L227 HydrophobicContact CD1-CD2 3.45Å; I142-L227 VanDerWaalsContact CD1-CD2 3.45Å; I142-L227 HydrophobicContact CD1-CG 3.75Å; I142-L227 HydrophobicContact CG1-CD2 3.83Å; I142-L227 HydrophobicContact CG1-CG 3.84Å; L227-I396 HydrophobicContact CB-CD1 4.28Å; L227-I396 HydrophobicContact CB-CG2 4.26Å
228A93Very high93.1Very high1 Ų19 Ų91%0.0084%0.041CC..SBendtrans-123.5101.1179.700000108.6F45 G226 S230 R231 A232F45-A228 HydrophobicContact CB-CB 3.79Å; F45-A228 HydrophobicContact CG-CB 4.39Å; G226-A228 PolarHBondContact O-N 2.92Å; A228-S230 PolarHBondContact O-N 3.31Å; A228-S230 VanDerWaalsContact O-N 3.14Å; A228-R231 HydrophobicContact CB-CB 3.99Å; A228-R231 HydrophobicContact CB-CG 4.26Å; A228-R231 CarbonylContact O-C 3.58Å; A228-R231 WeakPolarHBondContact O-CA 3.46Å; A228-R231 PolarHBondContact O-N 2.78Å; A228-A232 PolarHBondContact O-N 3.38Å
229P92.4Very high92.9Very high0 Ų09 Ų90%04%0.041CC..G310 helixtrans-59.2-31.4-171.1-17.523.2000114R46 P48 R231 A232 S457 Q459 V504R46-P229 WeakPolarHBondContact O-CD 3.5Å; P48-P229 HydrophobicContact CB-CG 4Å; P229-R231 PolarHBondContact O-N 3.3Å; P229-A232 PolarHBondContact O-N 3.11Å; P229-S457 WeakPolarHBondContact O-CB 3.47Å; P229-Q459 HydrophobicContact CB-CB 4.18Å; P229-Q459 VanDerWaalsContact CB-OE1 3.31Å; P229-V504 HydrophobicContact CB-CG1 3.55Å; P229-V504 HydrophobicContact CB-CG2 4.12Å; P229-V504 HydrophobicContact CG-CG1 3.7Å; P229-V504 HydrophobicContact CG-CG2 4.37Å
230S91.6Very high92.8Very high17 Ų179.1 Ų9.112%0.1194%0.042CC..G310 helixtrans-80.5-0.7175.757.80000113.9F45 A228 P455 V504F45-S230 WeakPolarHBondContact CD1-OG 3.47Å; F45-S230 WeakPolarHBondContact CE1-OG 3.14Å; A228-S230 PolarHBondContact O-N 3.31Å; A228-S230 VanDerWaalsContact O-N 3.14Å; S230-P455 WeakPolarHBondContact O-CB 3.2Å; S230-P455 WeakPolarHBondContact O-CG 3.5Å; S230-V504 VanDerWaalsContact N-CG1 3.34Å
231R91.7Very high92.7Very high102 Ų1029.1 Ų9.139%0.3854%0.042SC..G310 helixtrans-121.13.2173.5-65.1-68.1-166.6145.7-0.1111.7F45 A228 P229 F233F45-R231 HydrophobicContact CD2-CG 4.19Å; F45-R231 HydrophobicContact CE2-CG 4.06Å; F45-R231 HydrophobicContact CG-CG 4.48Å; F45-R231 HydrophobicContact CZ-CG 4.26Å; A228-R231 HydrophobicContact CB-CB 3.99Å; A228-R231 HydrophobicContact CB-CG 4.26Å; A228-R231 CarbonylContact O-C 3.58Å; A228-R231 WeakPolarHBondContact O-CA 3.46Å; A228-R231 PolarHBondContact O-N 2.78Å; P229-R231 PolarHBondContact O-N 3.3Å; R231-F233 WeakPolarHBondContact O-CD2 3.38Å; R231-F233 WeakPolarHBondContact O-CE2 3.24Å; R231-F233 PolarHBondContact O-N 2.71Å
232A92.5Very high92.7Very high1 Ų19.1 Ų9.11%0.0084%0.042CC..  trans-86.385.217600000109.7T224 A228 P229 I396 R456T224-A232 PolarHBondContact OG1-O 3.28Å; A228-A232 PolarHBondContact O-N 3.38Å; P229-A232 PolarHBondContact O-N 3.11Å; A232-I396 HydrophobicContact CB-CG2 4.48Å; A232-R456 PolarHBondContact O-N 3.39Å
233F92.1Very high92.8Very high34 Ų349.3 Ų9.315%0.1494%0.043CC..  trans-74.6-38.5176.9-58.8-75.3000112.1R231 F235 F451 E452 P455 R456R231-F233 WeakPolarHBondContact O-CD2 3.38Å; R231-F233 WeakPolarHBondContact O-CE2 3.24Å; R231-F233 PolarHBondContact O-N 2.71Å; F233-F235 HydrophobicContact CB-CD2 4.48Å; F233-F235 HydrophobicContact CB-CE2 4.05Å; F233-F235 HydrophobicContact CB-CZ 4.3Å; F233-F451 VanDerWaalsContact CD1-O 3.28Å; F233-F451 WeakPolarHBondContact CD1-O 3.01Å; F233-E452 VanDerWaalsContact CD1-O 3.29Å; F233-E452 WeakPolarHBondContact CD1-O 3.1Å; F233-E452 WeakPolarHBondContact CE1-O 3.2Å; F233-P455 HydrophobicContact CD1-CB 4.36Å; F233-P455 HydrophobicContact CE1-CB 4.38Å; F233-R456 PolarHBondContact O-NE 3.36Å; F233-R456 VanDerWaalsContact O-NE 3.12Å; F233-R456 PolarHBondContact O-NH2 2.95Å
234G88.1Confident93Very high3 Ų39.3 Ų9.33%0.0314%0.043CC..  trans64.548.3169.500000115.4D236 S237 G239 D398 R456G234-D236 PolarHBondContact O-N 3.37Å; G234-S237 CarbonylContact O-C 3.56Å; G234-S237 PolarHBondContact O-N 3.43Å; G234-G239 PolarHBondContact O-N 2.87Å; G234-G239 VanDerWaalsContact O-N 3.14Å; G234-D398 WeakPolarHBondContact CA-OD2 3.44Å; G234-R456 VanDerWaalsContact C-NH2 3.29Å; G234-R456 PolarHBondContact O-NH2 3.07Å
235F89Confident93.2Very high9 Ų99.2 Ų9.24%0.0394%0.042CC..Iπ-helixtrans-49.9-58.6-178.2-61.9-78.9000113F233 G239 T240 D398 L399 W400 Q448 F451 E452F233-F235 HydrophobicContact CB-CD2 4.48Å; F233-F235 HydrophobicContact CB-CE2 4.05Å; F233-F235 HydrophobicContact CB-CZ 4.3Å; F235-G239 CarbonylContact O-C 3.56Å; F235-G239 VanDerWaalsContact O-C 3.24Å; F235-G239 WeakPolarHBondContact O-CA 3.39Å; F235-G239 PolarHBondContact O-N 2.96Å; F235-T240 PolarHBondContact O-N 3.23Å; F235-D398 VanDerWaalsContact CD2-O 3.26Å; F235-D398 WeakPolarHBondContact CD2-O 3.35Å; F235-D398 PolarHBondContact N-OD2 2.79Å; F235-L399 HydrophobicContact CE2-CD2 4.38Å; F235-W400 HydrophobicContact CD1-CB 4.33Å; F235-W400 HydrophobicContact CD2-CB 4.35Å; F235-W400 HydrophobicContact CE1-CB 4.32Å; F235-W400 HydrophobicContact CE2-CB 4.36Å; F235-W400 HydrophobicContact CG-CB 4.32Å; F235-W400 HydrophobicContact CZ-CB 4.32Å; F235-Q448 HydrophobicContact CD1-CG 4.39Å; F235-Q448 HydrophobicContact CE1-CG 4.39Å; F235-F451 HydrophobicContact CD1-CB 4.35Å; F235-F451 HydrophobicContact CE1-CB 4.33Å; F235-E452 HydrophobicContact CE1-CB 3.68Å; F235-E452 HydrophobicContact CE1-CG 4.43Å; F235-E452 VanDerWaalsContact CZ-CA 3.44Å; F235-E452 HydrophobicContact CZ-CB 3.51Å; F235-E452 HydrophobicContact CZ-CG 3.8Å
236D91.1Very high93.4Very high9 Ų98.8 Ų8.85%0.0484%0.04CC..Iπ-helixtrans-94.7-8174.3-167.951.3000113.3G234 N238 T240 S311 I312 L313 G314 F385 D398G234-D236 PolarHBondContact O-N 3.37Å; D236-N238 PolarHBondContact O-N 3.29Å; D236-T240 HydrophobicContact CB-CG2 4.34Å; D236-T240 PolarHBondContact OD1-OG1 3.49Å; D236-S311 WeakPolarHBondContact O-CA 3.47Å; D236-S311 WeakPolarHBondContact O-CB 3.44Å; D236-S311 PolarHBondContact O-OG 3.22Å; D236-S311 WeakPolarHBondContact OD1-CA 3.24Å; D236-I312 PolarHBondContact OD1-N 3.33Å; D236-L313 HydrophobicContact CB-CB 4.26Å; D236-L313 HydrophobicContact CB-CD2 4.41Å; D236-L313 WeakPolarHBondContact OD1-CA 3.44Å; D236-L313 VanDerWaalsContact OD1-CB 3.24Å; D236-L313 WeakPolarHBondContact OD1-CB 3.47Å; D236-L313 PolarHBondContact OD1-N 2.86Å; D236-G314 PolarHBondContact OD1-N 2.88Å; D236-G314 WeakPolarHBondContact OD2-CA 3.23Å; D236-G314 PolarHBondContact OD2-N 2.98Å; D236-F385 WeakPolarHBondContact OD2-CE2 3.31Å; D236-D398 PolarHBondContact N-OD1 3.34Å; D236-D398 PolarHBondContact N-OD2 2.6Å
237S91.1Very high93.6Very high1 Ų18.9 Ų8.91%0.0074%0.04CC..Iπ-helixtrans-72.355167.9-57.90000110.4G234 M392 D398G234-S237 CarbonylContact O-C 3.56Å; G234-S237 PolarHBondContact O-N 3.43Å; S237-M392 PolarHBondContact OG-O 2.85Å; S237-D398 WeakPolarHBondContact CA-OD2 3.29Å; S237-D398 WeakPolarHBondContact CB-OD2 3.24Å; S237-D398 PolarHBondContact N-OD2 3.09Å; S237-D398 PolarHBondContact OG-OD2 2.76Å
238N93.7Very high93.8Very high0 Ų08.9 Ų8.90%04%0.04CC..Iπ-helixtrans70.87.9-171.6-148.624.8000119.5H221 D236 T240 G241 V242 L309 D310 S311H221-N238 PolarHBondContact CD2-ND2 3.4Å; H221-N238 WeakPolarHBondContact CE1-CB 3.3Å; H221-N238 PolarHBondContact N-ND2 3.21Å; H221-N238 WeakPolarHBondContact NE2-CB 3.5Å; H221-N238 PolarHBondContact NE2-ND2 3.47Å; H221-N238 PolarHBondContact O-ND2 3.16Å; D236-N238 PolarHBondContact O-N 3.29Å; N238-T240 VanDerWaalsContact C-N 3.34Å; N238-G241 PolarHBondContact O-N 3.3Å; N238-G241 WeakPolarHBondContact OD1-CA 3.26Å; N238-V242 VanDerWaalsContact O-CG2 3.3Å; N238-V242 WeakPolarHBondContact O-CG2 3.31Å; N238-V242 PolarHBondContact O-N 2.62Å; N238-V242 VanDerWaalsContact O-N 3.08Å; N238-L309 PolarHBondContact ND2-O 3.5Å; N238-L309 PolarHBondContact OD1-O 3.46Å; N238-L309 VanDerWaalsContact OD1-O 3.14Å; N238-D310 WeakPolarHBondContact OD1-CA 3.25Å; N238-S311 PolarHBondContact N-OG 2.81Å; N238-S311 PolarHBondContact OD1-N 3.02Å
239G94Very high94Very high0 Ų08.8 Ų8.80%04%0.04CC..Iπ-helixtrans-60.8-44.1167.300000112.1G234 F235 G241 V242 I243G234-G239 PolarHBondContact O-N 2.87Å; G234-G239 VanDerWaalsContact O-N 3.14Å; F235-G239 CarbonylContact O-C 3.56Å; F235-G239 VanDerWaalsContact O-C 3.24Å; F235-G239 WeakPolarHBondContact O-CA 3.39Å; F235-G239 PolarHBondContact O-N 2.96Å; G239-G241 VanDerWaalsContact C-N 3.32Å; G239-G241 PolarHBondContact O-N 2.98Å; G239-V242 WeakPolarHBondContact O-CB 3.39Å; G239-V242 PolarHBondContact O-N 2.97Å; G239-V242 VanDerWaalsContact O-N 3.14Å; G239-I243 VanDerWaalsContact O-CG1 3.3Å; G239-I243 WeakPolarHBondContact O-CG1 3.48Å; G239-I243 PolarHBondContact O-N 3.46Å
240T95.3Very high94.1Very high2 Ų29.6 Ų9.61%0.0124%0.043CC..Hα-helixtrans-60.7-37.6176.854.60000112.9F235 D236 N238 I243 L244 S311 I312 L313 L408 F412F235-T240 PolarHBondContact O-N 3.23Å; D236-T240 HydrophobicContact CB-CG2 4.34Å; D236-T240 PolarHBondContact OD1-OG1 3.49Å; N238-T240 VanDerWaalsContact C-N 3.34Å; T240-I243 PolarHBondContact O-N 3.23Å; T240-L244 WeakPolarHBondContact O-CB 3.31Å; T240-L244 PolarHBondContact O-N 3.25Å; T240-S311 WeakPolarHBondContact OG1-CA 3.33Å; T240-I312 PolarHBondContact OG1-N 2.98Å; T240-L313 HydrophobicContact CG2-CB 3.86Å; T240-L408 HydrophobicContact CG2-CD1 4.28Å; T240-L408 HydrophobicContact CG2-CD2 3.99Å; T240-F412 WeakPolarHBondContact O-CZ 3.24Å
241G96.1Very high94.2Very high0 Ų09.2 Ų9.20%04%0.039CC..Hα-helixtrans-68.1-38.2174.100000112.8N238 G239 L244 L245N238-G241 PolarHBondContact O-N 3.3Å; N238-G241 WeakPolarHBondContact OD1-CA 3.26Å; G239-G241 VanDerWaalsContact C-N 3.32Å; G239-G241 PolarHBondContact O-N 2.98Å; G241-L244 PolarHBondContact O-N 3.49Å; G241-L245 WeakPolarHBondContact O-CB 3.2Å; G241-L245 PolarHBondContact O-N 3.16Å
242V97Very high94.4Very high0 Ų04.3 Ų4.30%02%0.021CC..Hα-helixtrans-62.8-47.9172.1173.50000111A220 N238 G239 L244 L245 L246 L271 F451 L473A220-V242 HydrophobicContact CB-CG2 4.42Å; N238-V242 VanDerWaalsContact O-CG2 3.3Å; N238-V242 WeakPolarHBondContact O-CG2 3.31Å; N238-V242 PolarHBondContact O-N 2.62Å; N238-V242 VanDerWaalsContact O-N 3.08Å; G239-V242 WeakPolarHBondContact O-CB 3.39Å; G239-V242 PolarHBondContact O-N 2.97Å; G239-V242 VanDerWaalsContact O-N 3.14Å; V242-L244 VanDerWaalsContact C-N 3.29Å; V242-L244 PolarHBondContact O-N 2.78Å; V242-L245 WeakPolarHBondContact O-CB 3.04Å; V242-L245 PolarHBondContact O-N 2.89Å; V242-L245 VanDerWaalsContact O-N 3.11Å; V242-L246 HydrophobicContact CG1-CD1 3.87Å; V242-L246 HydrophobicContact CG1-CG 4.21Å; V242-L246 VanDerWaalsContact O-CG 3.27Å; V242-L246 WeakPolarHBondContact O-CG 3.37Å; V242-L246 PolarHBondContact O-N 2.62Å; V242-L271 HydrophobicContact CB-CD2 4.41Å; V242-L271 HydrophobicContact CG1-CD2 3.97Å; V242-L271 HydrophobicContact CG2-CD2 4.06Å; V242-F451 HydrophobicContact CB-CE2 4.49Å; V242-F451 HydrophobicContact CB-CZ 4.48Å; V242-F451 HydrophobicContact CG1-CE2 4.41Å; V242-F451 HydrophobicContact CG1-CZ 3.95Å; V242-L473 HydrophobicContact CG1-CD2 3.91Å
243I96.9Very high94.5Very high5 Ų54.6 Ų4.63%0.0262%0.022CC..Hα-helixtrans-58.3-44.9179-62.6172.2000110.2G239 T240 L245 L246 E247 F412 I444 W447 F451G239-I243 VanDerWaalsContact O-CG1 3.3Å; G239-I243 WeakPolarHBondContact O-CG1 3.48Å; G239-I243 PolarHBondContact O-N 3.46Å; T240-I243 PolarHBondContact O-N 3.23Å; I243-L245 PolarHBondContact O-N 2.82Å; I243-L246 PolarHBondContact O-N 2.88Å; I243-E247 VanDerWaalsContact O-CB 3.31Å; I243-E247 WeakPolarHBondContact O-CB 3.48Å; I243-E247 PolarHBondContact O-N 3.47Å; I243-F412 HydrophobicContact CB-CE2 4.36Å; I243-F412 HydrophobicContact CB-CZ 4.22Å; I243-F412 HydrophobicContact CG2-CE2 3.83Å; I243-F412 HydrophobicContact CG2-CZ 4.16Å; I243-I444 HydrophobicContact CG2-CG1 4.13Å; I243-W447 HydrophobicContact CD1-CB 3.69Å; I243-W447 HydrophobicContact CG1-CB 3.56Å; I243-W447 HydrophobicContact CG1-CG 4.16Å; I243-W447 HydrophobicContact CG2-CB 4.42Å; I243-F451 HydrophobicContact CD1-CD2 4.34Å; I243-F451 HydrophobicContact CD1-CE2 4.24Å; I243-F451 HydrophobicContact CG1-CD2 4.46Å; I243-F451 HydrophobicContact CG1-CE2 3.88Å
244L97.1Very high94.5Very high0 Ų09.7 Ų9.70%04%0.041CC..Hα-helixtrans-61.9-41.8176.7-178.955.4000112.1T240 G241 V242 E247 L248 L309 I312 F412 V415 I416T240-L244 WeakPolarHBondContact O-CB 3.31Å; T240-L244 PolarHBondContact O-N 3.25Å; G241-L244 PolarHBondContact O-N 3.49Å; V242-L244 VanDerWaalsContact C-N 3.29Å; V242-L244 PolarHBondContact O-N 2.78Å; L244-E247 PolarHBondContact O-N 3.03Å; L244-L248 HydrophobicContact CD1-CD1 4.34Å; L244-L248 HydrophobicContact CD1-CG 4.26Å; L244-L248 HydrophobicContact CG-CD1 4.16Å; L244-L248 WeakPolarHBondContact O-CB 3.46Å; L244-L248 WeakPolarHBondContact O-CG 3.24Å; L244-L248 PolarHBondContact O-N 2.96Å; L244-L309 HydrophobicContact CB-CD1 4.17Å; L244-L309 HydrophobicContact CD2-CD1 4Å; L244-L309 HydrophobicContact CD2-CD2 3.99Å; L244-L309 HydrophobicContact CG-CD1 3.85Å; L244-I312 HydrophobicContact CD2-CD1 4.1Å; L244-I312 HydrophobicContact CD2-CG1 3.92Å; L244-F412 HydrophobicContact CB-CD1 4.29Å; L244-F412 HydrophobicContact CB-CD2 4.47Å; L244-F412 HydrophobicContact CB-CE1 3.79Å; L244-F412 HydrophobicContact CB-CE2 4.03Å; L244-F412 HydrophobicContact CB-CZ 3.67Å; L244-F412 HydrophobicContact CD1-CB 4.17Å; L244-F412 HydrophobicContact CD1-CD1 4.06Å; L244-F412 HydrophobicContact CD1-CD2 3.94Å; L244-F412 HydrophobicContact CD1-CE1 4.41Å; L244-F412 HydrophobicContact CD1-CE2 4.34Å; L244-F412 HydrophobicContact CD1-CG 3.8Å; L244-F412 HydrophobicContact CD2-CD1 4.22Å; L244-F412 HydrophobicContact CD2-CE1 4.29Å; L244-F412 HydrophobicContact CG-CD1 4.43Å; L244-F412 HydrophobicContact CG-CE1 4.39Å; L244-V415 HydrophobicContact CD2-CB 3.96Å; L244-V415 HydrophobicContact CD2-CG1 3.97Å; L244-V415 HydrophobicContact CD2-CG2 4.1Å; L244-I416 HydrophobicContact CD1-CD1 4.17Å; L244-I416 HydrophobicContact CD1-CG1 3.96Å
245L97.9Very high94.7Very high0 Ų09.9 Ų9.90%04%0.041CC..Hα-helixtrans-61-46.8176-175.9153.5000111.7I218 A220 G241 V242 I243 E247 L248 L249 F269 I270 L271 L309I218-L245 HydrophobicContact CG2-CD1 4.28Å; I218-L245 HydrophobicContact CG2-CG 4.22Å; A220-L245 HydrophobicContact CB-CB 4.27Å; A220-L245 HydrophobicContact CB-CD1 3.7Å; G241-L245 WeakPolarHBondContact O-CB 3.2Å; G241-L245 PolarHBondContact O-N 3.16Å; V242-L245 WeakPolarHBondContact O-CB 3.04Å; V242-L245 PolarHBondContact O-N 2.89Å; V242-L245 VanDerWaalsContact O-N 3.11Å; I243-L245 PolarHBondContact O-N 2.82Å; L245-E247 VanDerWaalsContact C-N 3.31Å; L245-E247 PolarHBondContact O-N 2.84Å; L245-L248 PolarHBondContact O-N 3.4Å; L245-L249 PolarHBondContact O-N 2.89Å; L245-F269 HydrophobicContact CD2-CB 4.11Å; L245-F269 HydrophobicContact CD2-CD1 4.03Å; L245-F269 HydrophobicContact CG-CD1 4.11Å; L245-I270 WeakPolarHBondContact CD1-O 3.44Å; L245-L271 HydrophobicContact CD1-CD2 3.95Å; L245-L271 HydrophobicContact CD1-CG 4.35Å; L245-L271 HydrophobicContact CD2-CD1 4.29Å; L245-L271 HydrophobicContact CD2-CD2 3.91Å; L245-L271 HydrophobicContact CD2-CG 3.9Å; L245-L271 HydrophobicContact CG-CD2 4.38Å; L245-L309 HydrophobicContact CB-CD1 4.14Å
246L97.2Very high94.8Very high0 Ų09.7 Ų9.70%04%0.04CC..Hα-helixtrans-64-38.6178.4-64.3174.7000111.4V242 I243 L249 R250 L271 W447 L473 F476 V477V242-L246 HydrophobicContact CG1-CD1 3.87Å; V242-L246 HydrophobicContact CG1-CG 4.21Å; V242-L246 VanDerWaalsContact O-CG 3.27Å; V242-L246 WeakPolarHBondContact O-CG 3.37Å; V242-L246 PolarHBondContact O-N 2.62Å; I243-L246 PolarHBondContact O-N 2.88Å; L246-L249 PolarHBondContact O-N 3.1Å; L246-R250 WeakPolarHBondContact O-CB 3.04Å; L246-R250 PolarHBondContact O-N 3.01Å; L246-L271 HydrophobicContact CD2-CD1 3.96Å; L246-W447 HydrophobicContact CD1-CD2 3.9Å; L246-W447 VanDerWaalsContact CD1-CE2 3.45Å; L246-W447 HydrophobicContact CD1-CE3 4.31Å; L246-W447 HydrophobicContact CD1-CH2 3.95Å; L246-W447 HydrophobicContact CD1-CZ2 3.5Å; L246-W447 VanDerWaalsContact CD1-CZ2 3.5Å; L246-W447 HydrophobicContact CD1-CZ3 4.33Å; L246-L473 HydrophobicContact CD1-CD2 3.74Å; L246-L473 HydrophobicContact CD2-CD2 4.39Å; L246-F476 HydrophobicContact CB-CD1 4.15Å; L246-F476 HydrophobicContact CB-CE1 3.73Å; L246-F476 HydrophobicContact CB-CZ 4.22Å; L246-F476 HydrophobicContact CD2-CD1 3.59Å; L246-F476 HydrophobicContact CD2-CE1 4.05Å; L246-F476 HydrophobicContact CD2-CG 4.29Å; L246-F476 HydrophobicContact CG-CD1 4.34Å; L246-F476 HydrophobicContact CG-CE1 4.42Å; L246-F476 WeakPolarHBondContact O-CE1 3.29Å; L246-V477 HydrophobicContact CD2-CG2 4.29Å
247E95.9Very high94.8Very high2 Ų216.2 Ų16.21%0.0097%0.07CC..Hα-helixtrans-66.7-43.3176.6179.260.1-178.500111.9I243 L244 L245 L249 R250 I251 I416 I440 Q443I243-E247 VanDerWaalsContact O-CB 3.31Å; I243-E247 WeakPolarHBondContact O-CB 3.48Å; I243-E247 PolarHBondContact O-N 3.47Å; L244-E247 PolarHBondContact O-N 3.03Å; L245-E247 VanDerWaalsContact C-N 3.31Å; L245-E247 PolarHBondContact O-N 2.84Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.88Å; E247-R250 PolarHBondContact O-N 3.49Å; E247-R250 IonicContact OE1-CZ 3.77Å; E247-R250 IonicContact OE1-NE 3.52Å; E247-R250 IonicContact OE1-NH2 2.8Å; E247-R250 PolarHBondContact OE1-NH2 2.93Å; E247-R250 IonicContact OE2-CZ 3.98Å; E247-R250 VanDerWaalsContact OE2-CZ 3.26Å; E247-R250 IonicContact OE2-NE 3.83Å; E247-R250 PolarHBondContact OE2-NE 3.19Å; E247-R250 IonicContact OE2-NH2 3.89Å; E247-R250 PolarHBondContact OE2-NH2 3.04Å; E247-I251 HydrophobicContact CG-CD1 3.92Å; E247-I251 VanDerWaalsContact O-CG1 3.28Å; E247-I251 WeakPolarHBondContact O-CG1 3.3Å; E247-I251 PolarHBondContact O-N 2.76Å; E247-I251 WeakPolarHBondContact OE1-CD1 3.42Å; E247-I416 HydrophobicContact CG-CD1 4.17Å; E247-I440 HydrophobicContact CG-CG1 4.35Å; E247-I440 WeakPolarHBondContact OE1-CG1 3.3Å; E247-Q443 HydrophobicContact CB-CG 4.39Å; E247-Q443 WeakPolarHBondContact OE2-CG 3.23Å
248L96.4Very high94.7Very high0 Ų019.8 Ų19.80%09%0.089CC..Hα-helixtrans-58.6-46172-71.6167.5000110.8I218 L244 L245 R250 I251 F252 F269 L309 I416 L419I218-L248 HydrophobicContact CG2-CD1 4.08Å; L244-L248 HydrophobicContact CD1-CD1 4.34Å; L244-L248 HydrophobicContact CD1-CG 4.26Å; L244-L248 HydrophobicContact CG-CD1 4.16Å; L244-L248 WeakPolarHBondContact O-CB 3.46Å; L244-L248 WeakPolarHBondContact O-CG 3.24Å; L244-L248 PolarHBondContact O-N 2.96Å; L245-L248 PolarHBondContact O-N 3.4Å; L248-R250 PolarHBondContact O-N 3.15Å; L248-I251 PolarHBondContact O-N 2.71Å; L248-F252 HydrophobicContact CB-CD2 4.41Å; L248-F252 HydrophobicContact CD2-CE2 3.96Å; L248-F252 WeakPolarHBondContact O-CB 3.28Å; L248-F252 WeakPolarHBondContact O-CD2 3.43Å; L248-F252 PolarHBondContact O-N 3Å; L248-F269 HydrophobicContact CB-CE1 3.86Å; L248-L309 HydrophobicContact CD1-CD1 4.03Å; L248-I416 HydrophobicContact CD2-CB 4.25Å; L248-I416 HydrophobicContact CD2-CG1 3.64Å; L248-I416 HydrophobicContact CD2-CG2 4.46Å; L248-I416 HydrophobicContact CG-CG1 4.35Å; L248-L419 HydrophobicContact CD1-CD2 4.5Å; L248-L419 HydrophobicContact CD2-CD2 4.11Å
249L96.9Very high94.4Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-58.6-47.7177.417659.9000111.3L204 L245 L246 E247 I251 F252 S253 F269 V477L204-L249 HydrophobicContact CD1-CD1 4.2Å; L204-L249 HydrophobicContact CG-CD1 4.28Å; L245-L249 PolarHBondContact O-N 2.89Å; L246-L249 PolarHBondContact O-N 3.1Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.88Å; L249-I251 PolarHBondContact O-N 3.13Å; L249-F252 PolarHBondContact O-N 3.39Å; L249-S253 WeakPolarHBondContact O-CB 3.4Å; L249-S253 PolarHBondContact O-N 2.92Å; L249-F269 HydrophobicContact CB-CD1 3.79Å; L249-F269 HydrophobicContact CB-CD2 4.45Å; L249-F269 HydrophobicContact CB-CE1 3.78Å; L249-F269 HydrophobicContact CB-CE2 4.45Å; L249-F269 HydrophobicContact CB-CG 4.13Å; L249-F269 HydrophobicContact CB-CZ 4.12Å; L249-F269 HydrophobicContact CD1-CD1 4.43Å; L249-F269 HydrophobicContact CD1-CD2 3.57Å; L249-F269 HydrophobicContact CD1-CE2 3.69Å; L249-F269 HydrophobicContact CD1-CG 3.97Å; L249-F269 HydrophobicContact CD1-CZ 4.18Å; L249-F269 HydrophobicContact CG-CG 4.47Å; L249-F269 VanDerWaalsContact N-CE1 3.34Å; L249-V477 HydrophobicContact CD2-CB 4.22Å; L249-V477 HydrophobicContact CD2-CG1 4.1Å; L249-V477 HydrophobicContact CD2-CG2 4.04Å
250R95.4Very high94.1Very high16 Ų1630.1 Ų30.16%0.0615%0.15CC..Hα-helixtrans-59.5-45.1178.5-172.6-175.870.591.69.4112.4L246 E247 L248 S439 F476 Y480L246-R250 WeakPolarHBondContact O-CB 3.04Å; L246-R250 PolarHBondContact O-N 3.01Å; E247-R250 PolarHBondContact O-N 3.49Å; E247-R250 IonicContact OE1-CZ 3.77Å; E247-R250 IonicContact OE1-NE 3.52Å; E247-R250 IonicContact OE1-NH2 2.8Å; E247-R250 PolarHBondContact OE1-NH2 2.93Å; E247-R250 IonicContact OE2-CZ 3.98Å; E247-R250 VanDerWaalsContact OE2-CZ 3.26Å; E247-R250 IonicContact OE2-NE 3.83Å; E247-R250 PolarHBondContact OE2-NE 3.19Å; E247-R250 IonicContact OE2-NH2 3.89Å; E247-R250 PolarHBondContact OE2-NH2 3.04Å; L248-R250 PolarHBondContact O-N 3.15Å; R250-S439 VanDerWaalsContact CZ-OG 3.32Å; R250-S439 PolarHBondContact NH1-OG 2.72Å; R250-S439 VanDerWaalsContact NH1-OG 3.13Å; R250-S439 PolarHBondContact NH2-OG 2.93Å; R250-F476 HydrophobicContact CB-CE1 4.45Å; R250-F476 HydrophobicContact CB-CZ 4.14Å; R250-Y480 HydrophobicContact CB-CD1 4.41Å; R250-Y480 HydrophobicContact CB-CE1 4.42Å; R250-Y480 HydrophobicContact CG-CD1 4.12Å; R250-Y480 HydrophobicContact CG-CE1 3.67Å; R250-Y480 HydrophobicContact CG-CE2 4.28Å
251I94Very high93.7Very high9 Ų931.6 Ų31.65%0.04616%0.159CC..Hα-helixtrans-68-49.8-179.6-66.3165.5000110.5E247 L248 L249 S253 R254 L255 I416 F420 V435E247-I251 HydrophobicContact CG-CD1 3.92Å; E247-I251 VanDerWaalsContact O-CG1 3.28Å; E247-I251 WeakPolarHBondContact O-CG1 3.3Å; E247-I251 PolarHBondContact O-N 2.76Å; E247-I251 WeakPolarHBondContact OE1-CD1 3.42Å; L248-I251 PolarHBondContact O-N 2.71Å; L249-I251 PolarHBondContact O-N 3.13Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-S253 PolarHBondContact O-N 3.13Å; I251-R254 PolarHBondContact O-N 3.16Å; I251-L255 HydrophobicContact CG2-CD1 4.35Å; I251-L255 PolarHBondContact O-N 2.74Å; I251-I416 HydrophobicContact CD1-CD1 4.08Å; I251-I416 HydrophobicContact CD1-CG2 4.21Å; I251-F420 HydrophobicContact CG2-CE2 3.66Å; I251-F420 HydrophobicContact CG2-CZ 3.46Å; I251-F420 VanDerWaalsContact CG2-CZ 3.46Å; I251-V435 HydrophobicContact CD1-CG2 4.38Å
252F94.4Very high93.5Very high0 Ų034.6 Ų34.60%017%0.17CC..Hα-helixtrans-68.1-32.2-179.5-78.1-69.3000112.6L204 L248 L249 R254 L255 Y256 L267 F269 L419 F420 I423 Y424L204-F252 HydrophobicContact CD1-CB 3.69Å; L248-F252 HydrophobicContact CB-CD2 4.41Å; L248-F252 HydrophobicContact CD2-CE2 3.96Å; L248-F252 WeakPolarHBondContact O-CB 3.28Å; L248-F252 WeakPolarHBondContact O-CD2 3.43Å; L248-F252 PolarHBondContact O-N 3Å; L249-F252 PolarHBondContact O-N 3.39Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 3.29Å; F252-L255 HydrophobicContact CD1-CD1 4.17Å; F252-L255 HydrophobicContact CE1-CD1 4.5Å; F252-L255 PolarHBondContact O-N 3.09Å; F252-L255 VanDerWaalsContact O-N 3.08Å; F252-Y256 HydrophobicContact CB-CD2 4.3Å; F252-Y256 HydrophobicContact CB-CE2 4.36Å; F252-Y256 HydrophobicContact CD1-CD2 4.38Å; F252-Y256 AromaticContact CD1-CE2 3.86Å; F252-Y256 HydrophobicContact CD1-CE2 3.86Å; F252-Y256 WeakPolarHBondContact O-CB 3.42Å; F252-Y256 WeakPolarHBondContact O-CD2 3.46Å; F252-Y256 PolarHBondContact O-N 2.99Å; F252-L267 HydrophobicContact CB-CD1 3.87Å; F252-L267 HydrophobicContact CD1-CD1 3.75Å; F252-L267 HydrophobicContact CD2-CD1 4.01Å; F252-L267 HydrophobicContact CE1-CD1 4.29Å; F252-L267 HydrophobicContact CG-CD1 3.59Å; F252-F269 HydrophobicContact CB-CZ 4.39Å; F252-F269 HydrophobicContact CD2-CZ 4.31Å; F252-L419 HydrophobicContact CE2-CD2 3.69Å; F252-L419 HydrophobicContact CE2-CG 4.24Å; F252-L419 HydrophobicContact CZ-CD2 4.07Å; F252-L419 HydrophobicContact CZ-CG 4.11Å; F252-F420 HydrophobicContact CE1-CE1 4.5Å; F252-F420 HydrophobicContact CE1-CZ 4.5Å; F252-F420 HydrophobicContact CZ-CD2 4.24Å; F252-F420 HydrophobicContact CZ-CE2 4.26Å; F252-I423 HydrophobicContact CE1-CD1 3.69Å; F252-I423 HydrophobicContact CE2-CD1 4.45Å; F252-I423 HydrophobicContact CZ-CD1 3.63Å; F252-Y424 HydrophobicContact CE1-CE2 4.06Å
253S94.7Very high93.1Very high6 Ų634.8 Ų34.84%0.04217%0.172CC..Hα-helixtrans-52.3-49.8173.9-176.60000111.4L249 I251 L255 Y256 Q257 Y480L249-S253 WeakPolarHBondContact O-CB 3.4Å; L249-S253 PolarHBondContact O-N 2.92Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-S253 PolarHBondContact O-N 3.13Å; S253-L255 VanDerWaalsContact C-N 3.28Å; S253-L255 PolarHBondContact O-N 3.12Å; S253-Y256 PolarHBondContact O-N 3.14Å; S253-Q257 VanDerWaalsContact O-CG 3.3Å; S253-Q257 WeakPolarHBondContact O-CG 3.33Å; S253-Q257 PolarHBondContact O-N 3.08Å; S253-Y480 WeakPolarHBondContact CB-O 3.34Å; S253-Y480 PolarHBondContact OG-O 3.35Å
254R92.5Very high92.8Very high142 Ų14242.4 Ų42.454%0.53621%0.205SC..Hα-helixtrans-60.9-37178.8-66.4175.4179.1-174.4-3.3112.6I251 F252I251-R254 PolarHBondContact O-N 3.16Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 3.29Å
255L91.5Very high92.6Very high7 Ų744.4 Ų44.44%0.03721%0.213CC..Hα-helixtrans-75.6-33.5179.4-67.1167.9000112.6I251 F252 S253 T261 R262 F420 Y424 F434I251-L255 HydrophobicContact CG2-CD1 4.35Å; I251-L255 PolarHBondContact O-N 2.74Å; F252-L255 HydrophobicContact CD1-CD1 4.17Å; F252-L255 HydrophobicContact CE1-CD1 4.5Å; F252-L255 PolarHBondContact O-N 3.09Å; F252-L255 VanDerWaalsContact O-N 3.08Å; S253-L255 VanDerWaalsContact C-N 3.28Å; S253-L255 PolarHBondContact O-N 3.12Å; L255-T261 HydrophobicContact CD2-CG2 4.35Å; L255-T261 CarbonylContact O-C 3.55Å; L255-T261 VanDerWaalsContact O-C 3.25Å; L255-T261 WeakPolarHBondContact O-CB 3.45Å; L255-T261 PolarHBondContact O-OG1 2.88Å; L255-R262 PolarHBondContact O-N 2.92Å; L255-F420 HydrophobicContact CD1-CE1 3.29Å; L255-F420 HydrophobicContact CD1-CZ 3.41Å; L255-F420 VanDerWaalsContact CD1-CZ 3.41Å; L255-Y424 HydrophobicContact CD1-CE2 4.3Å; L255-F434 HydrophobicContact CD2-CD1 3.68Å; L255-F434 HydrophobicContact CD2-CD2 4.23Å; L255-F434 HydrophobicContact CD2-CE1 3.69Å; L255-F434 HydrophobicContact CD2-CE2 4.27Å; L255-F434 HydrophobicContact CD2-CG 3.97Å; L255-F434 HydrophobicContact CD2-CZ 4Å
256Y92.9Very high92.3Very high5 Ų545 Ų452%0.0222%0.216CC..Hα-helixtrans-80.7-22.2-178.1-83.7-120.6000112.6L204 S205 F252 S253 N258 R262 A263 Y265 L267L204-Y256 HydrophobicContact CB-CD1 3.65Å; L204-Y256 HydrophobicContact CB-CE1 4.02Å; L204-Y256 HydrophobicContact CB-CG 4.1Å; L204-Y256 HydrophobicContact CD1-CD2 4.41Å; L204-Y256 HydrophobicContact CD1-CG 4.24Å; S205-Y256 WeakPolarHBondContact O-CD1 3.15Å; F252-Y256 HydrophobicContact CB-CD2 4.3Å; F252-Y256 HydrophobicContact CB-CE2 4.36Å; F252-Y256 HydrophobicContact CD1-CD2 4.38Å; F252-Y256 AromaticContact CD1-CE2 3.86Å; F252-Y256 HydrophobicContact CD1-CE2 3.86Å; F252-Y256 WeakPolarHBondContact O-CB 3.42Å; F252-Y256 WeakPolarHBondContact O-CD2 3.46Å; F252-Y256 PolarHBondContact O-N 2.99Å; S253-Y256 PolarHBondContact O-N 3.14Å; Y256-N258 VanDerWaalsContact C-N 3.31Å; Y256-N258 PolarHBondContact O-N 3.41Å; Y256-R262 HydrophobicContact CD1-CG 4.04Å; Y256-R262 HydrophobicContact CG-CG 4.27Å; Y256-A263 HydrophobicContact CE2-CB 4.01Å; Y256-A263 WeakPolarHBondContact OH-CB 3.45Å; Y256-Y265 WeakPolarHBondContact CE1-O 3.27Å; Y256-Y265 PolarHBondContact OH-O 3.48Å; Y256-L267 HydrophobicContact CE1-CD1 4.49Å; Y256-L267 HydrophobicContact CE1-CG 4.37Å; Y256-L267 HydrophobicContact CE2-CD1 3.76Å; Y256-L267 HydrophobicContact CE2-CG 4.43Å; Y256-L267 WeakPolarHBondContact OH-CD1 3.17Å; Y256-L267 VanDerWaalsContact OH-CG 3.24Å; Y256-L267 WeakPolarHBondContact OH-CG 3.31Å
257Q90.5Very high92.3Very high145 Ų14545 Ų4568%0.67822%0.216SC*.Hα-helixtrans-62.2-35172.3-77.7173.16.900113.1S253S253-Q257 VanDerWaalsContact O-CG 3.3Å; S253-Q257 WeakPolarHBondContact O-CG 3.33Å; S253-Q257 PolarHBondContact O-N 3.08Å
258N89.2Confident92.3Very high76 Ų7645.2 Ų45.241%0.40622%0.217SC..SBendtrans-97.6123.4179.7-177.9-2.9000111Y256 N260 T261 R262Y256-N258 VanDerWaalsContact C-N 3.31Å; Y256-N258 PolarHBondContact O-N 3.41Å; N258-N260 PolarHBondContact O-N 3.48Å; N258-N260 VanDerWaalsContact O-N 3.11Å; N258-N260 PolarHBondContact OD1-N 3.14Å; N258-N260 VanDerWaalsContact OD1-N 3.15Å; N258-T261 WeakPolarHBondContact CB-OG1 3.11Å; N258-T261 PolarHBondContact O-N 2.7Å; N258-T261 PolarHBondContact O-OG1 2.9Å; N258-R262 WeakPolarHBondContact O-CB 3.17Å; N258-R262 PolarHBondContact O-N 3.32Å
259S86.8Confident92.3Very high70 Ų7045.4 Ų45.449%0.4922%0.218SC..THydrogen-bonded Turntrans-52.5-33.2179.161.40000114.4F207F207-S259 WeakPolarHBondContact CD2-O 3.49Å; F207-S259 WeakPolarHBondContact CE2-O 3.37Å
260N86.7Confident92.4Very high147 Ų14745.4 Ų45.479%0.78622%0.218SC*.THydrogen-bonded Turntrans-74.6-26.2-179.3-69.3-32.9000113.5N258N258-N260 PolarHBondContact O-N 3.48Å; N258-N260 VanDerWaalsContact O-N 3.11Å; N258-N260 PolarHBondContact OD1-N 3.14Å; N258-N260 VanDerWaalsContact OD1-N 3.15Å
261T88.7Confident92.5Very high34 Ų3444.7 Ų44.721%0.20922%0.215CC..THydrogen-bonded Turntrans-106.2-7-178.550.70000112.6L255 N258 A263 Y424 F434L255-T261 HydrophobicContact CD2-CG2 4.35Å; L255-T261 CarbonylContact O-C 3.55Å; L255-T261 VanDerWaalsContact O-C 3.25Å; L255-T261 WeakPolarHBondContact O-CB 3.45Å; L255-T261 PolarHBondContact O-OG1 2.88Å; N258-T261 WeakPolarHBondContact CB-OG1 3.11Å; N258-T261 PolarHBondContact O-N 2.7Å; N258-T261 PolarHBondContact O-OG1 2.9Å; T261-A263 PolarHBondContact O-N 3.3Å; T261-Y424 WeakPolarHBondContact O-CE1 3.49Å; T261-Y424 VanDerWaalsContact O-CZ 3.3Å; T261-Y424 PolarHBondContact O-OH 3.35Å; T261-F434 HydrophobicContact CG2-CZ 4.49Å
262R90.2Very high92.6Very high62 Ų6244.2 Ų44.223%0.23421%0.213CC..  trans-65.5127-179.9-168.6172.7-176.216511.9110.4S205 A206 F207 L255 Y256 N258 D482S205-R262 VanDerWaalsContact C-NH2 3.32Å; S205-R262 VanDerWaalsContact CB-NH2 3.28Å; S205-R262 PolarHBondContact O-NE 3.36Å; S205-R262 PolarHBondContact O-NH2 2.92Å; A206-R262 VanDerWaalsContact C-NE 3.27Å; A206-R262 VanDerWaalsContact O-CZ 3.28Å; A206-R262 PolarHBondContact O-NE 2.78Å; A206-R262 PolarHBondContact O-NH2 3.47Å; F207-R262 HydrophobicContact CB-CB 4.06Å; F207-R262 HydrophobicContact CB-CG 3.92Å; F207-R262 HydrophobicContact CD2-CB 4.31Å; L255-R262 PolarHBondContact O-N 2.92Å; Y256-R262 HydrophobicContact CD1-CG 4.04Å; Y256-R262 HydrophobicContact CG-CG 4.27Å; N258-R262 WeakPolarHBondContact O-CB 3.17Å; N258-R262 PolarHBondContact O-N 3.32Å; R262-D482 IonicContact NH2-OD2 3.79Å
263A90.1Very high92.6Very high4 Ų444.2 Ų44.23%0.03321%0.213CC..  trans-79.4169.3-174.900000112.9F207 Y256 T261 Y265 I423 Y424F207-A263 PolarHBondContact N-O 2.98Å; Y256-A263 HydrophobicContact CE2-CB 4.01Å; Y256-A263 WeakPolarHBondContact OH-CB 3.45Å; T261-A263 PolarHBondContact O-N 3.3Å; A263-Y265 VanDerWaalsContact C-N 3.27Å; A263-Y265 PolarHBondContact O-N 3.22Å; A263-I423 HydrophobicContact CB-CG2 3.3Å; A263-Y424 HydrophobicContact CB-CE1 3.9Å
264K90Very high92.4Very high166 Ų16644 Ų4472%0.72221%0.211SC*.SBendtrans-80.1-1.9178.2-62.5-177.5-179.1179.50114.3V213V213-K264 WeakPolarHBondContact CG1-O 3.48Å
265Y91.8Very high92.4Very high41 Ų4137.3 Ų37.316%0.16119%0.187CC..SBendtrans-109.8148.1-177.2-64-82.4000110.1A206 S214 I216 Y256 A263 E304 I423A206-Y265 WeakPolarHBondContact CA-O 3.3Å; A206-Y265 VanDerWaalsContact CB-C 3.46Å; A206-Y265 WeakPolarHBondContact CB-O 3.43Å; S214-Y265 WeakPolarHBondContact O-CA 3.43Å; I216-Y265 HydrophobicContact CD1-CD1 4.2Å; I216-Y265 HydrophobicContact CD1-CD2 4.44Å; I216-Y265 HydrophobicContact CD1-CG 4.05Å; I216-Y265 HydrophobicContact CG1-CD1 4.3Å; I216-Y265 HydrophobicContact CG1-CG 4.47Å; Y256-Y265 WeakPolarHBondContact CE1-O 3.27Å; Y256-Y265 PolarHBondContact OH-O 3.48Å; A263-Y265 VanDerWaalsContact C-N 3.27Å; A263-Y265 PolarHBondContact O-N 3.22Å; Y265-E304 VanDerWaalsContact CE1-OE2 3.32Å; Y265-E304 WeakPolarHBondContact CE1-OE2 3.38Å; Y265-I423 HydrophobicContact CD2-CG1 4.49Å; Y265-I423 HydrophobicContact CD2-CG2 4.2Å
266N93.3Very high92.4Very high12 Ų1237.3 Ų37.36%0.06419%0.186CC..EExtended strand (participates in β ladder)trans-80137.3162.8-67.9-54.9000108.2S205 A206 V213 S214 T215 I216S205-N266 WeakPolarHBondContact CA-OD1 3.36Å; A206-N266 PolarHBondContact N-OD1 3.06Å; V213-N266 PolarHBondContact O-ND2 2.7Å; S214-N266 PolarHBondContact O-N 3.37Å; T215-N266 CarbonylContact C-O 3.48Å; T215-N266 VanDerWaalsContact CA-O 3.3Å; T215-N266 WeakPolarHBondContact CA-O 3.43Å; T215-N266 HydrophobicContact CG2-CB 4.12Å; T215-N266 WeakPolarHBondContact OG1-CB 3.18Å; I216-N266 PolarHBondContact N-O 3.41Å
267L95.6Very high92.3Very high0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-109.4131.6171.3-54.7178.2000109.2L204 I216 F252 Y256 F269 I423L204-L267 HydrophobicContact CB-CB 4.27Å; L204-L267 HydrophobicContact CD1-CD1 4.5Å; L204-L267 PolarHBondContact N-O 3.14Å; L204-L267 PolarHBondContact O-N 3.41Å; I216-L267 HydrophobicContact CB-CD2 3.86Å; I216-L267 HydrophobicContact CD1-CD2 4.34Å; I216-L267 WeakPolarHBondContact O-CA 3.15Å; F252-L267 HydrophobicContact CB-CD1 3.87Å; F252-L267 HydrophobicContact CD1-CD1 3.75Å; F252-L267 HydrophobicContact CD2-CD1 4.01Å; F252-L267 HydrophobicContact CE1-CD1 4.29Å; F252-L267 HydrophobicContact CG-CD1 3.59Å; Y256-L267 HydrophobicContact CE1-CD1 4.49Å; Y256-L267 HydrophobicContact CE1-CG 4.37Å; Y256-L267 HydrophobicContact CE2-CD1 3.76Å; Y256-L267 HydrophobicContact CE2-CG 4.43Å; Y256-L267 WeakPolarHBondContact OH-CD1 3.17Å; Y256-L267 VanDerWaalsContact OH-CG 3.24Å; Y256-L267 WeakPolarHBondContact OH-CG 3.31Å; L267-F269 HydrophobicContact CB-CD2 4.39Å; L267-F269 HydrophobicContact CB-CE2 3.68Å; L267-F269 HydrophobicContact CB-CZ 4.32Å; L267-F269 HydrophobicContact CD1-CE2 4.32Å; L267-F269 HydrophobicContact CD1-CZ 4.29Å; L267-I423 HydrophobicContact CD1-CD1 4.29Å; L267-I423 HydrophobicContact CD2-CD1 3.85Å
268I96Very high92.3Very high8 Ų830.7 Ų30.74%0.04116%0.156CC..EExtended strand (participates in β ladder)trans-118.7125.3171.6-60.5-178.7000107.7V201 G202 R203 T215 I216 A217 I218 I270 W285V201-I268 HydrophobicContact CG1-CG2 3.56Å; G202-I268 CarbonylContact O-C 3.6Å; G202-I268 WeakPolarHBondContact O-CA 3.28Å; R203-I268 HydrophobicContact CG-CG1 4.46Å; T215-I268 HydrophobicContact CG2-CB 4.36Å; T215-I268 HydrophobicContact CG2-CD1 3.54Å; T215-I268 HydrophobicContact CG2-CG1 3.62Å; I216-I268 PolarHBondContact O-N 2.64Å; A217-I268 CarbonylContact C-O 3.52Å; A217-I268 WeakPolarHBondContact CA-O 3.07Å; I218-I268 PolarHBondContact N-O 3.3Å; I268-I270 HydrophobicContact CG2-CD1 4.11Å; I268-I270 HydrophobicContact CG2-CG1 3.73Å; I268-W285 HydrophobicContact CG2-CZ2 4.17Å
269F97.9Very high92.6Very high3 Ų327.4 Ų27.41%0.01314%0.138CC..EExtended strand (participates in β ladder)trans-104.3121.3177-66.1-95.9000108.4V201 G202 L204 I218 L245 L248 L249 F252 L267V201-F269 CarbonylContact C-O 3.48Å; V201-F269 VanDerWaalsContact CA-O 3.31Å; V201-F269 WeakPolarHBondContact CA-O 3.15Å; G202-F269 PolarHBondContact N-O 2.95Å; G202-F269 PolarHBondContact O-N 2.84Å; L204-F269 HydrophobicContact CD1-CE2 3.78Å; L204-F269 HydrophobicContact CD1-CZ 4.41Å; L204-F269 HydrophobicContact CG-CE2 4.14Å; I218-F269 HydrophobicContact CB-CD1 4.14Å; I218-F269 HydrophobicContact CB-CE1 4.35Å; I218-F269 HydrophobicContact CD1-CD1 4.08Å; I218-F269 HydrophobicContact CD1-CE1 3.46Å; I218-F269 VanDerWaalsContact CD1-CE1 3.46Å; I218-F269 HydrophobicContact CD1-CZ 3.72Å; I218-F269 HydrophobicContact CG1-CE1 4.5Å; I218-F269 HydrophobicContact CG2-CD1 4.39Å; I218-F269 CarbonylContact O-C 3.6Å; I218-F269 WeakPolarHBondContact O-CA 3.49Å; L245-F269 HydrophobicContact CD2-CB 4.11Å; L245-F269 HydrophobicContact CD2-CD1 4.03Å; L245-F269 HydrophobicContact CG-CD1 4.11Å; L248-F269 HydrophobicContact CB-CE1 3.86Å; L249-F269 HydrophobicContact CB-CD1 3.79Å; L249-F269 HydrophobicContact CB-CD2 4.45Å; L249-F269 HydrophobicContact CB-CE1 3.78Å; L249-F269 HydrophobicContact CB-CE2 4.45Å; L249-F269 HydrophobicContact CB-CG 4.13Å; L249-F269 HydrophobicContact CB-CZ 4.12Å; L249-F269 HydrophobicContact CD1-CD1 4.43Å; L249-F269 HydrophobicContact CD1-CD2 3.57Å; L249-F269 HydrophobicContact CD1-CE2 3.69Å; L249-F269 HydrophobicContact CD1-CG 3.97Å; L249-F269 HydrophobicContact CD1-CZ 4.18Å; L249-F269 HydrophobicContact CG-CG 4.47Å; L249-F269 VanDerWaalsContact N-CE1 3.34Å; F252-F269 HydrophobicContact CB-CZ 4.39Å; F252-F269 HydrophobicContact CD2-CZ 4.31Å; L267-F269 HydrophobicContact CB-CD2 4.39Å; L267-F269 HydrophobicContact CB-CE2 3.68Å; L267-F269 HydrophobicContact CB-CZ 4.32Å; L267-F269 HydrophobicContact CD1-CE2 4.32Å; L267-F269 HydrophobicContact CD1-CZ 4.29Å
270I97.8Very high92.9Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-121.6115.8-173.3-53.2176.3000108.6T199 I200 V201 A217 I218 V219 A220 L245 I268 W285T199-I270 HydrophobicContact CG2-CG2 3.61Å; I200-I270 WeakPolarHBondContact O-CA 3.22Å; V201-I270 HydrophobicContact CG1-CG1 4.45Å; A217-I270 HydrophobicContact CB-CD1 4.35Å; I218-I270 PolarHBondContact O-N 2.53Å; V219-I270 WeakPolarHBondContact CA-O 3.08Å; V219-I270 HydrophobicContact CB-CB 4.41Å; V219-I270 HydrophobicContact CG1-CB 4.06Å; V219-I270 HydrophobicContact CG1-CG2 4.18Å; V219-I270 HydrophobicContact CG2-CB 4.19Å; V219-I270 HydrophobicContact CG2-CD1 4.05Å; V219-I270 HydrophobicContact CG2-CG1 4.44Å; A220-I270 PolarHBondContact N-O 3.21Å; L245-I270 WeakPolarHBondContact CD1-O 3.44Å; I268-I270 HydrophobicContact CG2-CD1 4.11Å; I268-I270 HydrophobicContact CG2-CG1 3.73Å; I270-W285 HydrophobicContact CD1-CD2 3.75Å; I270-W285 HydrophobicContact CD1-CE3 3.55Å; I270-W285 HydrophobicContact CD1-CH2 3.32Å; I270-W285 HydrophobicContact CD1-CZ2 3.5Å; I270-W285 VanDerWaalsContact CD1-CZ2 3.5Å; I270-W285 HydrophobicContact CD1-CZ3 3.35Å; I270-W285 HydrophobicContact CG1-CZ2 4.32Å
271L97.6Very high93.2Very high1 Ų117.3 Ų17.31%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-102.999.4169.8-71.9170.3000108.7T199 I200 A220 Y222 V242 L245 L246 L473 V477T199-L271 CarbonylContact C-O 3.53Å; T199-L271 WeakPolarHBondContact CA-O 3.3Å; I200-L271 HydrophobicContact CB-CB 4.14Å; I200-L271 HydrophobicContact CD1-CB 4.38Å; I200-L271 HydrophobicContact CD1-CD1 4.33Å; I200-L271 PolarHBondContact N-O 2.65Å; I200-L271 PolarHBondContact O-N 2.72Å; A220-L271 HydrophobicContact CB-CD2 4.33Å; A220-L271 CarbonylContact O-C 3.42Å; A220-L271 VanDerWaalsContact O-CA 3.24Å; A220-L271 WeakPolarHBondContact O-CA 2.95Å; Y222-L271 HydrophobicContact CD1-CB 4.08Å; V242-L271 HydrophobicContact CB-CD2 4.41Å; V242-L271 HydrophobicContact CG1-CD2 3.97Å; V242-L271 HydrophobicContact CG2-CD2 4.06Å; L245-L271 HydrophobicContact CD1-CD2 3.95Å; L245-L271 HydrophobicContact CD1-CG 4.35Å; L245-L271 HydrophobicContact CD2-CD1 4.29Å; L245-L271 HydrophobicContact CD2-CD2 3.91Å; L245-L271 HydrophobicContact CD2-CG 3.9Å; L245-L271 HydrophobicContact CG-CD2 4.38Å; L246-L271 HydrophobicContact CD2-CD1 3.96Å; L271-L473 HydrophobicContact CD1-CB 4.46Å; L271-L473 HydrophobicContact CD1-CD2 4.37Å; L271-V477 HydrophobicContact CD1-CG2 3.93Å
272S96Very high93.5Very high0 Ų015.7 Ų15.70%07%0.068CC..EExtended strand (participates in β ladder)trans-87.8139.4-172.9670000112.8A220 H221 Y222 S282 E368A220-S272 PolarHBondContact O-N 3.02Å; H221-S272 CarbonylContact C-O 3.51Å; H221-S272 VanDerWaalsContact CA-O 3.26Å; H221-S272 WeakPolarHBondContact CA-O 3.38Å; H221-S272 VanDerWaalsContact CA-OG 3.31Å; H221-S272 WeakPolarHBondContact CA-OG 3.27Å; H221-S272 VanDerWaalsContact CB-OG 3.24Å; H221-S272 WeakPolarHBondContact CB-OG 3.33Å; Y222-S272 WeakPolarHBondContact CD1-O 3.31Å; Y222-S272 VanDerWaalsContact CE1-C 3.42Å; Y222-S272 WeakPolarHBondContact CE1-O 3.28Å; Y222-S272 PolarHBondContact N-O 3.03Å; S272-S282 WeakPolarHBondContact CB-OG 3.21Å; S272-S282 PolarHBondContact OG-OG 3.16Å; S272-S282 VanDerWaalsContact OG-OG 3.11Å; S272-E368 PolarHBondContact OG-OE1 3.23Å
273G94Very high93.7Very high0 Ų014.8 Ų14.80%07%0.066CC..SBendtrans-87.2152.2168.700000111.6E198 T199 Y222 G275 G281E198-G273 WeakPolarHBondContact O-CA 3.45Å; E198-G273 PolarHBondContact O-N 2.93Å; T199-G273 PolarHBondContact OG1-N 2.85Å; Y222-G273 VanDerWaalsContact CZ-CA 3.45Å; Y222-G273 WeakPolarHBondContact OH-CA 3.36Å; G273-G275 PolarHBondContact O-N 3.47Å; G273-G281 WeakPolarHBondContact O-CA 3.36Å; G273-G281 PolarHBondContact O-N 3.28Å
274G92.1Very high93.9Very high0 Ų017.4 Ų17.40%08%0.078CC..  trans6632.2178.300000114.8D223 M277 F279 L280D223-G274 VanDerWaalsContact OD2-C 3.31Å; D223-G274 VanDerWaalsContact OD2-CA 3.29Å; D223-G274 WeakPolarHBondContact OD2-CA 3.45Å; G274-M277 CarbonylContact O-C 3.5Å; G274-M277 VanDerWaalsContact O-C 3.31Å; G274-M277 WeakPolarHBondContact O-CA 3.23Å; G274-M277 WeakPolarHBondContact O-CB 3.47Å; G274-M277 PolarHBondContact O-N 3.42Å; G274-M277 VanDerWaalsContact O-N 3.16Å; G274-F279 WeakPolarHBondContact O-CA 3.48Å; G274-F279 PolarHBondContact O-N 3.41Å; G274-L280 PolarHBondContact O-N 3.03Å
275G92.6Very high94.1Very high2 Ų210.2 Ų10.22%0.0215%0.046CC..THydrogen-bonded Turntrans-57.5-49169.400000112.7D223 G273 M277 N278 F279D223-G275 VanDerWaalsContact OD1-CA 3.23Å; D223-G275 WeakPolarHBondContact OD1-CA 3.19Å; D223-G275 PolarHBondContact OD1-N 3.29Å; D223-G275 PolarHBondContact OD2-N 2.83Å; G273-G275 PolarHBondContact O-N 3.47Å; G275-M277 PolarHBondContact O-N 3Å; G275-N278 PolarHBondContact O-N 2.8Å; G275-F279 WeakPolarHBondContact O-CD1 3.26Å; G275-F279 PolarHBondContact O-N 2.85Å
276K91.6Very high94.2Very high7 Ų78.3 Ų8.33%0.034%0.039CC..THydrogen-bonded Turntrans-71.3-12.2175.5-60.2-52.3-166.2-1730113.1D223 L225 R364 R393D223-K276 PolarHBondContact OD2-N 2.75Å; L225-K276 HydrophobicContact CB-CB 3.96Å; L225-K276 HydrophobicContact CB-CG 4.07Å; K276-R364 PolarHBondContact O-NH2 3.46Å; K276-R364 VanDerWaalsContact O-NH2 3.1Å; K276-R393 WeakPolarHBondContact CE-O 3.42Å; K276-R393 PolarHBondContact NZ-O 3.13Å
277M89.6Confident94.1Very high5 Ų511.5 Ų11.53%0.0255%0.053CC..THydrogen-bonded Turntrans-9839.6176.7-63.1-66.2-73.800111.8F50 L52 G274 G275 L280 Q458 I500F50-M277 HydrophobicContact CB-CE 3.37Å; F50-M277 HydrophobicContact CB-SD 4.17Å; F50-M277 HydrophobicContact CD1-CE 4.25Å; F50-M277 HydrophobicContact CD1-SD 3.91Å; F50-M277 HydrophobicContact CD2-CE 3.36Å; F50-M277 HydrophobicContact CD2-SD 3.6Å; F50-M277 HydrophobicContact CE1-SD 4.16Å; F50-M277 HydrophobicContact CE2-CE 4.15Å; F50-M277 HydrophobicContact CE2-SD 3.84Å; F50-M277 HydrophobicContact CG-CE 3.4Å; F50-M277 HydrophobicContact CG-SD 3.61Å; F50-M277 HydrophobicContact CZ-SD 4.11Å; L52-M277 HydrophobicContact CD1-CE 4.32Å; L52-M277 HydrophobicContact CD1-SD 4.4Å; L52-M277 HydrophobicContact CD2-CB 4.33Å; L52-M277 HydrophobicContact CD2-CE 3.62Å; L52-M277 HydrophobicContact CG-CE 3.95Å; G274-M277 CarbonylContact O-C 3.5Å; G274-M277 VanDerWaalsContact O-C 3.31Å; G274-M277 WeakPolarHBondContact O-CA 3.23Å; G274-M277 WeakPolarHBondContact O-CB 3.47Å; G274-M277 PolarHBondContact O-N 3.42Å; G274-M277 VanDerWaalsContact O-N 3.16Å; G275-M277 PolarHBondContact O-N 3Å; M277-L280 HydrophobicContact CB-CD1 4.05Å; M277-L280 WeakPolarHBondContact O-CD1 3.36Å; M277-L280 WeakPolarHBondContact O-CG 3.29Å; M277-Q458 HydrophobicContact CG-CB 4.42Å; M277-Q458 HydrophobicContact CG-CG 4.29Å; M277-I500 HydrophobicContact CE-CG1 4.11Å
278N91.7Very high93.8Very high6 Ų614.1 Ų14.13%0.0327%0.065CC..THydrogen-bonded Turntrans71.631.9179.9-161.720.8000114.8H53 G275 L280 K283 D363 L365H53-N278 PolarHBondContact NE2-ND2 3.18Å; G275-N278 PolarHBondContact O-N 2.8Å; N278-L280 VanDerWaalsContact C-N 3.26Å; N278-L280 PolarHBondContact O-N 3.49Å; N278-K283 VanDerWaalsContact CG-NZ 3.31Å; N278-K283 PolarHBondContact ND2-NZ 3.07Å; N278-K283 VanDerWaalsContact O-CE 3.26Å; N278-K283 WeakPolarHBondContact O-CE 3.28Å; N278-K283 PolarHBondContact O-NZ 3.49Å; N278-K283 PolarHBondContact OD1-NZ 2.92Å; N278-D363 PolarHBondContact ND2-O 3.22Å; N278-L365 WeakPolarHBondContact OD1-CB 3.39Å; N278-L365 WeakPolarHBondContact OD1-CG 3.45Å; N278-L365 PolarHBondContact OD1-N 3.25Å
279F94Very high93.5Very high7 Ų714.9 Ų14.93%0.0317%0.069CC..SBendtrans52.139.5177.6-49.1-78000114.1H221 G274 G275 G281 S282 K283 L365 E368H221-F279 AromaticContact CD2-CE1 3.85Å; G274-F279 WeakPolarHBondContact O-CA 3.48Å; G274-F279 PolarHBondContact O-N 3.41Å; G275-F279 WeakPolarHBondContact O-CD1 3.26Å; G275-F279 PolarHBondContact O-N 2.85Å; F279-G281 PolarHBondContact O-N 3.43Å; F279-S282 PolarHBondContact O-N 3.4Å; F279-K283 WeakPolarHBondContact O-CG 3.41Å; F279-K283 PolarHBondContact O-N 3.46Å; F279-L365 HydrophobicContact CD2-CB 3.81Å; F279-L365 HydrophobicContact CD2-CD1 4.25Å; F279-L365 HydrophobicContact CE2-CB 4.02Å; F279-E368 HydrophobicContact CD1-CB 3.59Å; F279-E368 HydrophobicContact CD1-CG 3.73Å; F279-E368 HydrophobicContact CE1-CB 3.61Å; F279-E368 HydrophobicContact CE1-CG 4.24Å; F279-E368 HydrophobicContact CG-CB 4.18Å; F279-E368 HydrophobicContact CG-CG 4.23Å; F279-E368 HydrophobicContact CZ-CB 4.19Å
280L92.9Very high93Very high5 Ų516.8 Ų16.83%0.0269%0.085CC..Hα-helixtrans-62-40.3-173.7-71.9162.9000112.9L52 L197 G274 M277 N278 S282 K283 H284 E497 F498L52-L280 HydrophobicContact CD2-CD1 3.91Å; L197-L280 HydrophobicContact CD1-CB 3.53Å; L197-L280 HydrophobicContact CD1-CD1 4.06Å; L197-L280 HydrophobicContact CD1-CG 4.47Å; G274-L280 PolarHBondContact O-N 3.03Å; M277-L280 HydrophobicContact CB-CD1 4.05Å; M277-L280 WeakPolarHBondContact O-CD1 3.36Å; M277-L280 WeakPolarHBondContact O-CG 3.29Å; N278-L280 VanDerWaalsContact C-N 3.26Å; N278-L280 PolarHBondContact O-N 3.49Å; L280-S282 PolarHBondContact O-N 3.11Å; L280-K283 PolarHBondContact O-N 3.11Å; L280-H284 WeakPolarHBondContact O-CB 3.29Å; L280-H284 PolarHBondContact O-N 3.5Å; L280-E497 VanDerWaalsContact CD2-CD 3.46Å; L280-E497 HydrophobicContact CD2-CG 4.12Å; L280-E497 WeakPolarHBondContact CD2-OE1 3.25Å; L280-F498 HydrophobicContact CD1-CB 3.55Å; L280-F498 HydrophobicContact CD1-CD1 3.57Å; L280-F498 HydrophobicContact CD1-CD2 4.38Å; L280-F498 HydrophobicContact CD1-CE1 4.35Å; L280-F498 HydrophobicContact CD1-CG 3.57Å; L280-F498 HydrophobicContact CD2-CD1 4.3Å; L280-F498 HydrophobicContact CG-CD1 4.4Å
281G93.4Very high92.4Very high0 Ų021.5 Ų21.50%011%0.107CC..Hα-helixtrans-61.3-44.8176.300000112.2T199 G273 F279 H284 W285T199-G281 WeakPolarHBondContact OG1-CA 3.4Å; G273-G281 WeakPolarHBondContact O-CA 3.36Å; G273-G281 PolarHBondContact O-N 3.28Å; F279-G281 PolarHBondContact O-N 3.43Å; G281-H284 PolarHBondContact O-N 3.19Å; G281-W285 WeakPolarHBondContact O-CB 3.32Å; G281-W285 PolarHBondContact O-N 2.84Å
282S95.1Very high91.7Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-64.8-43.6175.7-68.50000112S272 F279 L280 H284 W285 I286 E368S272-S282 WeakPolarHBondContact CB-OG 3.21Å; S272-S282 PolarHBondContact OG-OG 3.16Å; S272-S282 VanDerWaalsContact OG-OG 3.11Å; F279-S282 PolarHBondContact O-N 3.4Å; L280-S282 PolarHBondContact O-N 3.11Å; S282-H284 PolarHBondContact O-N 3.17Å; S282-W285 PolarHBondContact O-N 3.11Å; S282-I286 WeakPolarHBondContact O-CB 3.23Å; S282-I286 VanDerWaalsContact O-CD1 3.25Å; S282-I286 WeakPolarHBondContact O-CD1 3.42Å; S282-I286 WeakPolarHBondContact O-CG1 3.48Å; S282-I286 PolarHBondContact O-N 2.96Å; S282-E368 PolarHBondContact OG-OE1 3.01Å
283K94.1Very high90.7Very high43 Ų4332.6 Ų32.619%0.18715%0.151CC..Hα-helixtrans-56.4-51.1175.5-75.1175.9178.2173.80111.8N278 F279 L280 W285 I286 E287 A371N278-K283 VanDerWaalsContact CG-NZ 3.31Å; N278-K283 PolarHBondContact ND2-NZ 3.07Å; N278-K283 VanDerWaalsContact O-CE 3.26Å; N278-K283 WeakPolarHBondContact O-CE 3.28Å; N278-K283 PolarHBondContact O-NZ 3.49Å; N278-K283 PolarHBondContact OD1-NZ 2.92Å; F279-K283 WeakPolarHBondContact O-CG 3.41Å; F279-K283 PolarHBondContact O-N 3.46Å; L280-K283 PolarHBondContact O-N 3.11Å; K283-W285 PolarHBondContact O-N 2.91Å; K283-I286 PolarHBondContact O-N 2.93Å; K283-E287 WeakPolarHBondContact O-CG 3.46Å; K283-E287 PolarHBondContact O-N 3.25Å; K283-E287 VanDerWaalsContact O-N 3.07Å; K283-A371 HydrophobicContact CG-CB 3.94Å
284H94Very high89.5Confident59 Ų5935.8 Ų35.827%0.27318%0.184SC..Hα-helixtrans-61.8-45.3179.3-178.3-86.1000111.9L280 G281 S282 I286 E287 E288 S487 R488 A489L280-H284 WeakPolarHBondContact O-CB 3.29Å; L280-H284 PolarHBondContact O-N 3.5Å; G281-H284 PolarHBondContact O-N 3.19Å; S282-H284 PolarHBondContact O-N 3.17Å; H284-I286 VanDerWaalsContact C-N 3.32Å; H284-I286 PolarHBondContact O-N 3.1Å; H284-E287 WeakPolarHBondContact O-CB 3.12Å; H284-E287 PolarHBondContact O-N 3.29Å; H284-E288 PolarHBondContact O-N 2.68Å; H284-S487 PolarHBondContact ND1-OG 3.45Å; H284-R488 PolarHBondContact CE1-O 3.42Å; H284-R488 VanDerWaalsContact CE1-O 3.3Å; H284-A489 HydrophobicContact CB-CB 3.51Å
285W94.6Very high88.2Confident15 Ų1544.2 Ų44.26%0.05722%0.216CC..Hα-helixtrans-61.8-40.5177.7-179.985.2000112.2T199 I268 I270 G281 S282 K283 E287 E288 F289 I303 F372T199-W285 HydrophobicContact CG2-CB 4.38Å; I268-W285 HydrophobicContact CG2-CZ2 4.17Å; I270-W285 HydrophobicContact CD1-CD2 3.75Å; I270-W285 HydrophobicContact CD1-CE3 3.55Å; I270-W285 HydrophobicContact CD1-CH2 3.32Å; I270-W285 HydrophobicContact CD1-CZ2 3.5Å; I270-W285 VanDerWaalsContact CD1-CZ2 3.5Å; I270-W285 HydrophobicContact CD1-CZ3 3.35Å; I270-W285 HydrophobicContact CG1-CZ2 4.32Å; G281-W285 WeakPolarHBondContact O-CB 3.32Å; G281-W285 PolarHBondContact O-N 2.84Å; S282-W285 PolarHBondContact O-N 3.11Å; K283-W285 PolarHBondContact O-N 2.91Å; W285-E287 VanDerWaalsContact C-N 3.28Å; W285-E287 PolarHBondContact O-N 3.34Å; W285-E288 PolarHBondContact O-N 3.29Å; W285-F289 HydrophobicContact CE3-CB 4.47Å; W285-F289 HydrophobicContact CH2-CB 4.25Å; W285-F289 AromaticContact CH2-CD2 3.84Å; W285-F289 HydrophobicContact CH2-CD2 3.84Å; W285-F289 HydrophobicContact CH2-CE2 4.44Å; W285-F289 HydrophobicContact CH2-CG 4.05Å; W285-F289 HydrophobicContact CZ2-CB 4.39Å; W285-F289 AromaticContact CZ2-CD2 3.92Å; W285-F289 HydrophobicContact CZ2-CD2 3.92Å; W285-F289 HydrophobicContact CZ2-CG 4.39Å; W285-F289 HydrophobicContact CZ3-CB 4.28Å; W285-F289 HydrophobicContact CZ3-CG 4.39Å; W285-F289 VanDerWaalsContact O-CB 3.28Å; W285-F289 WeakPolarHBondContact O-CB 3.14Å; W285-F289 PolarHBondContact O-N 3.06Å; W285-I303 HydrophobicContact CH2-CD1 4.03Å; W285-I303 HydrophobicContact CZ3-CD1 4.18Å; W285-F372 HydrophobicContact CE3-CE1 4.46Å; W285-F372 HydrophobicContact CZ3-CE1 4.03Å
286I94Very high86.6Confident1 Ų147 Ų471%0.00524%0.236CC..Hα-helixtrans-61.5-39.9176.4-67.9158.8000110.6S282 K283 H284 F289 A290 A371 F372 R375 M377S282-I286 WeakPolarHBondContact O-CB 3.23Å; S282-I286 VanDerWaalsContact O-CD1 3.25Å; S282-I286 WeakPolarHBondContact O-CD1 3.42Å; S282-I286 WeakPolarHBondContact O-CG1 3.48Å; S282-I286 PolarHBondContact O-N 2.96Å; K283-I286 PolarHBondContact O-N 2.93Å; H284-I286 VanDerWaalsContact C-N 3.32Å; H284-I286 PolarHBondContact O-N 3.1Å; I286-F289 PolarHBondContact O-N 3.39Å; I286-A290 VanDerWaalsContact O-CB 3.31Å; I286-A290 WeakPolarHBondContact O-CB 3.45Å; I286-A290 PolarHBondContact O-N 2.8Å; I286-A371 HydrophobicContact CD1-CB 3.91Å; I286-F372 HydrophobicContact CD1-CB 4.35Å; I286-F372 HydrophobicContact CD1-CD1 3.72Å; I286-F372 HydrophobicContact CD1-CD2 3.79Å; I286-F372 HydrophobicContact CD1-CE1 3.83Å; I286-F372 HydrophobicContact CD1-CE2 3.88Å; I286-F372 HydrophobicContact CD1-CG 3.69Å; I286-F372 HydrophobicContact CD1-CZ 3.88Å; I286-F372 HydrophobicContact CG1-CD1 3.81Å; I286-F372 HydrophobicContact CG1-CE1 3.62Å; I286-F372 HydrophobicContact CG1-CE2 4.46Å; I286-F372 HydrophobicContact CG1-CG 4.31Å; I286-F372 HydrophobicContact CG1-CZ 3.95Å; I286-R375 HydrophobicContact CG2-CB 3.7Å; I286-R375 HydrophobicContact CG2-CG 3.64Å; I286-M377 HydrophobicContact CG2-CE 3.77Å; I286-M377 HydrophobicContact CG2-SD 3.97Å
287E91.5Very high84.6Confident80 Ų8052 Ų5237%0.37428%0.278SS..Hα-helixtrans-66.1-48.7176.6-71.3174.5174.300111.3K283 H284 W285 F289 A290 E291 R375K283-E287 WeakPolarHBondContact O-CG 3.46Å; K283-E287 PolarHBondContact O-N 3.25Å; K283-E287 VanDerWaalsContact O-N 3.07Å; H284-E287 WeakPolarHBondContact O-CB 3.12Å; H284-E287 PolarHBondContact O-N 3.29Å; W285-E287 VanDerWaalsContact C-N 3.28Å; W285-E287 PolarHBondContact O-N 3.34Å; E287-F289 VanDerWaalsContact C-N 3.27Å; E287-F289 PolarHBondContact O-N 2.99Å; E287-A290 PolarHBondContact O-N 3.43Å; E287-A290 VanDerWaalsContact O-N 3.13Å; E287-E291 WeakPolarHBondContact O-CG 3.41Å; E287-E291 PolarHBondContact O-N 3.35Å; E287-R375 IonicContact OE1-CZ 3.97Å; E287-R375 IonicContact OE1-NE 3.01Å; E287-R375 IonicContact OE1-NH2 2.9Å; E287-R375 PolarHBondContact OE1-NH2 2.97Å
288E90.4Very high82.3Confident54 Ų5455.2 Ų55.225%0.25230%0.301SS..Hα-helixtrans-57.2-42.4175-170.3-172.2158.400111.5H284 W285 E291 K292 S487H284-E288 PolarHBondContact O-N 2.68Å; W285-E288 PolarHBondContact O-N 3.29Å; E288-E291 PolarHBondContact O-N 2.96Å; E288-K292 HydrophobicContact CG-CD 4.48Å; E288-K292 WeakPolarHBondContact O-CB 3.5Å; E288-K292 WeakPolarHBondContact O-CG 3.41Å; E288-K292 PolarHBondContact O-N 2.82Å; E288-K292 WeakPolarHBondContact OE1-CE 3.24Å; E288-K292 IonicContact OE1-NZ 3.24Å; E288-K292 PolarHBondContact OE1-NZ 2.92Å; E288-S487 PolarHBondContact OE2-OG 2.96Å
289F89.5Confident80.2Confident25 Ų2556.1 Ų56.111%0.1131%0.312CS..Hα-helixtrans-64.2-44.2176.2-177.2-90.7000112.1W285 I286 E287 E291 K292 R293 S301 I303 M377W285-F289 HydrophobicContact CE3-CB 4.47Å; W285-F289 HydrophobicContact CH2-CB 4.25Å; W285-F289 AromaticContact CH2-CD2 3.84Å; W285-F289 HydrophobicContact CH2-CD2 3.84Å; W285-F289 HydrophobicContact CH2-CE2 4.44Å; W285-F289 HydrophobicContact CH2-CG 4.05Å; W285-F289 HydrophobicContact CZ2-CB 4.39Å; W285-F289 AromaticContact CZ2-CD2 3.92Å; W285-F289 HydrophobicContact CZ2-CD2 3.92Å; W285-F289 HydrophobicContact CZ2-CG 4.39Å; W285-F289 HydrophobicContact CZ3-CB 4.28Å; W285-F289 HydrophobicContact CZ3-CG 4.39Å; W285-F289 VanDerWaalsContact O-CB 3.28Å; W285-F289 WeakPolarHBondContact O-CB 3.14Å; W285-F289 PolarHBondContact O-N 3.06Å; I286-F289 PolarHBondContact O-N 3.39Å; E287-F289 VanDerWaalsContact C-N 3.27Å; E287-F289 PolarHBondContact O-N 2.99Å; F289-E291 VanDerWaalsContact C-N 3.35Å; F289-K292 PolarHBondContact O-N 3.38Å; F289-R293 WeakPolarHBondContact O-CB 3.24Å; F289-R293 PolarHBondContact O-N 2.9Å; F289-S301 WeakPolarHBondContact CZ-O 3.4Å; F289-I303 HydrophobicContact CD1-CD1 3.83Å; F289-I303 HydrophobicContact CE1-CD1 3.44Å; F289-I303 VanDerWaalsContact CE1-CD1 3.44Å; F289-I303 HydrophobicContact CE1-CG1 3.74Å; F289-I303 HydrophobicContact CE2-CD1 4.24Å; F289-I303 HydrophobicContact CE2-CG1 4.4Å; F289-I303 HydrophobicContact CG-CD1 4.37Å; F289-I303 HydrophobicContact CZ-CD1 3.67Å; F289-I303 HydrophobicContact CZ-CG1 3.62Å; F289-M377 HydrophobicContact CD1-CE 3.77Å; F289-M377 HydrophobicContact CE1-CE 4.27Å
290A87.2Confident78.3Confident43 Ų4357.3 Ų57.336%0.35532%0.321SS..Hα-helixtrans-64.8-38.5177.700000112I286 E287 R293 G294I286-A290 VanDerWaalsContact O-CB 3.31Å; I286-A290 WeakPolarHBondContact O-CB 3.45Å; I286-A290 PolarHBondContact O-N 2.8Å; E287-A290 PolarHBondContact O-N 3.43Å; E287-A290 VanDerWaalsContact O-N 3.13Å; A290-R293 WeakPolarHBondContact O-CB 3.3Å; A290-R293 PolarHBondContact O-N 2.8Å; A290-G294 PolarHBondContact O-N 2.63Å
291E85.5Confident76.8Confident99 Ų9957.9 Ų57.946%0.46333%0.326SS..Hα-helixtrans-67.3-45.1175.3-71-171.8178.300112.5E287 E288 F289 R293 G294 R295E287-E291 WeakPolarHBondContact O-CG 3.41Å; E287-E291 PolarHBondContact O-N 3.35Å; E288-E291 PolarHBondContact O-N 2.96Å; F289-E291 VanDerWaalsContact C-N 3.35Å; E291-R293 PolarHBondContact O-N 3.47Å; E291-G294 PolarHBondContact O-N 2.78Å; E291-G294 VanDerWaalsContact O-N 3.08Å; E291-R295 WeakPolarHBondContact O-CG 3.29Å; E291-R295 PolarHBondContact O-N 3.01Å; E291-R295 IonicContact OE2-CZ 2.61Å; E291-R295 VanDerWaalsContact OE2-CZ 3.26Å; E291-R295 IonicContact OE2-NH1 3Å; E291-R295 PolarHBondContact OE2-NH1 2.87Å; E291-R295 IonicContact OE2-NH2 3.06Å; E291-R295 PolarHBondContact OE2-NH2 2.92Å
292K82.6Confident76.2Confident107 Ų10760.3 Ų60.347%0.46534%0.342SS..Hα-helixtrans-57.4-40.8174.3-75.7175.9-175.9171.70110.8E288 F289 R295 S296E288-K292 HydrophobicContact CG-CD 4.48Å; E288-K292 WeakPolarHBondContact O-CB 3.5Å; E288-K292 WeakPolarHBondContact O-CG 3.41Å; E288-K292 PolarHBondContact O-N 2.82Å; E288-K292 WeakPolarHBondContact OE1-CE 3.24Å; E288-K292 IonicContact OE1-NZ 3.24Å; E288-K292 PolarHBondContact OE1-NZ 2.92Å; F289-K292 PolarHBondContact O-N 3.38Å; K292-R295 PolarHBondContact O-N 2.9Å; K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.83Å; K292-S296 PolarHBondContact O-OG 3.25Å
293R75Confident75.9Confident126 Ų12661.1 Ų61.148%0.47535%0.346SS..Hα-helixtrans-62.5-40.1173.5168.6161.6-168.8-171.65.1113.5F289 A290 E291 S300F289-R293 WeakPolarHBondContact O-CB 3.24Å; F289-R293 PolarHBondContact O-N 2.9Å; A290-R293 WeakPolarHBondContact O-CB 3.3Å; A290-R293 PolarHBondContact O-N 2.8Å; E291-R293 PolarHBondContact O-N 3.47Å; R293-S300 VanDerWaalsContact CA-OG 3.24Å; R293-S300 WeakPolarHBondContact CA-OG 3.34Å; R293-S300 WeakPolarHBondContact CB-OG 3.37Å; R293-S300 WeakPolarHBondContact CG-OG 3.39Å
294G67.9Low75.8Confident67 Ų6760.1 Ų60.169%0.69134%0.343SS*.Hα-helixtrans-71.7-33177.700000113.9A290 E291A290-G294 PolarHBondContact O-N 2.63Å; E291-G294 PolarHBondContact O-N 2.78Å; E291-G294 VanDerWaalsContact O-N 3.08Å
295R65.3Low75.9Confident177 Ų17757.3 Ų57.367%0.66833%0.33SS*.Hα-helixtrans-77.3-34.4178.3-69.2179.5-173.9113.77.2112.6E291 K292 A297E291-R295 WeakPolarHBondContact O-CG 3.29Å; E291-R295 PolarHBondContact O-N 3.01Å; E291-R295 IonicContact OE2-CZ 2.61Å; E291-R295 VanDerWaalsContact OE2-CZ 3.26Å; E291-R295 IonicContact OE2-NH1 3Å; E291-R295 PolarHBondContact OE2-NH1 2.87Å; E291-R295 IonicContact OE2-NH2 3.06Å; E291-R295 PolarHBondContact OE2-NH2 2.92Å; K292-R295 PolarHBondContact O-N 2.9Å; R295-A297 PolarHBondContact O-N 2.87Å
296S59.2Low76Confident61 Ų6156.6 Ų56.643%0.42733%0.327SS..  trans-75.392.2176-65.70000110.2K292 S298K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.83Å; K292-S296 PolarHBondContact O-OG 3.25Å; S296-S298 PolarHBondContact O-N 2.84Å
297A49Very low76.2Confident111 Ų11156.6 Ų56.692%0.91733%0.327SS*.THydrogen-bonded Turntrans-57-15.6171.900000113.2R295R295-A297 PolarHBondContact O-N 2.87Å
298S42.3Very low76.5Confident73 Ų7352.8 Ų52.851%0.5131%0.309SS..THydrogen-bonded Turntrans-107.5101.5171.8-140.10000110.8E211 S296 S300E211-S298 PolarHBondContact OE2-OG 3.35Å; S296-S298 PolarHBondContact O-N 2.84Å; S298-S300 PolarHBondContact O-N 2.93Å
299G46.8Very low76.8Confident25 Ų2550.2 Ų50.226%0.25830%0.297SS..THydrogen-bonded Turntrans61.216.1141.900000121.1H212 S301H212-G299 VanDerWaalsContact CE1-CA 3.47Å; H212-G299 WeakPolarHBondContact CE1-CA 3.31Å; G299-S301 PolarHBondContact O-N 2.87Å
300S53.2Low77.1Confident33 Ų3349 Ų4923%0.23129%0.292CS..  trans-47.2131.8-174.571.10000112.8R293 S298 S302R293-S300 VanDerWaalsContact CA-OG 3.24Å; R293-S300 WeakPolarHBondContact CA-OG 3.34Å; R293-S300 WeakPolarHBondContact CB-OG 3.37Å; R293-S300 WeakPolarHBondContact CG-OG 3.39Å; S298-S300 PolarHBondContact O-N 2.93Å; S300-S302 PolarHBondContact O-N 2.84Å
301S61.6Low77.4Confident17 Ų1747 Ų4712%0.11928%0.275CS..  trans-44.7120.4-175.762.70000112.5T215 F289 G299T215-S301 VanDerWaalsContact OG1-CB 3.26Å; T215-S301 WeakPolarHBondContact OG1-CB 3.3Å; T215-S301 PolarHBondContact OG1-OG 2.79Å; F289-S301 WeakPolarHBondContact CZ-O 3.4Å; G299-S301 PolarHBondContact O-N 2.87Å
302S81.6Confident77.9Confident50 Ų5042.3 Ų42.335%0.3525%0.253SS..  trans-77.7131.7174.554.80000110.3T215 S300 E304T215-S302 PolarHBondContact N-O 2.91Å; S300-S302 PolarHBondContact O-N 2.84Å; S302-E304 PolarHBondContact O-N 3.18Å
303I89.4Confident78.4Confident17 Ų1738.5 Ų38.59%0.08724%0.238CC..EExtended strand (participates in β ladder)trans-67.9117.1167.8-63.8168.6000107.8T215 A217 W285 F289 F305 M377T215-I303 CarbonylContact O-C 3.24Å; T215-I303 WeakPolarHBondContact O-CA 3.36Å; A217-I303 HydrophobicContact CB-CG2 4.44Å; W285-I303 HydrophobicContact CH2-CD1 4.03Å; W285-I303 HydrophobicContact CZ3-CD1 4.18Å; F289-I303 HydrophobicContact CD1-CD1 3.83Å; F289-I303 HydrophobicContact CE1-CD1 3.44Å; F289-I303 VanDerWaalsContact CE1-CD1 3.44Å; F289-I303 HydrophobicContact CE1-CG1 3.74Å; F289-I303 HydrophobicContact CE2-CD1 4.24Å; F289-I303 HydrophobicContact CE2-CG1 4.4Å; F289-I303 HydrophobicContact CG-CD1 4.37Å; F289-I303 HydrophobicContact CZ-CD1 3.67Å; F289-I303 HydrophobicContact CZ-CG1 3.62Å; I303-F305 WeakPolarHBondContact CG2-O 3.44Å; I303-M377 HydrophobicContact CD1-SD 3.81Å
304E92.1Very high78.8Confident23 Ų2332.8 Ų32.811%0.10722%0.218CC..EExtended strand (participates in β ladder)trans-72.9-46.5176.4-176.3165.4153.100110.5S214 T215 Y265 S302 P332 R335 Y422S214-E304 WeakPolarHBondContact CB-OE2 3.38Å; S214-E304 PolarHBondContact OG-OE2 3.03Å; T215-E304 PolarHBondContact O-N 3.3Å; Y265-E304 VanDerWaalsContact CE1-OE2 3.32Å; Y265-E304 WeakPolarHBondContact CE1-OE2 3.38Å; S302-E304 PolarHBondContact O-N 3.18Å; E304-P332 HydrophobicContact CG-CB 3.58Å; E304-P332 HydrophobicContact CG-CG 3.6Å; E304-P332 WeakPolarHBondContact OE1-CB 3.27Å; E304-R335 IonicContact OE1-NH2 3.35Å; E304-R335 PolarHBondContact OE1-NH2 2.96Å; E304-Y422 PolarHBondContact OE1-OH 2.9Å
305F95Very high79Confident0 Ų031.8 Ų31.80%021%0.207CC..EExtended strand (participates in β ladder)trans-158163.2162.163.2-91.3000111.8I216 A217 I303 L307 P332 V333 F336 H378 F380 Y422I216-F305 HydrophobicContact CD1-CE1 4.22Å; I216-F305 HydrophobicContact CD1-CZ 4.1Å; I216-F305 HydrophobicContact CG1-CE1 4.18Å; I216-F305 HydrophobicContact CG1-CZ 4.22Å; I216-F305 HydrophobicContact CG2-CD2 4.29Å; I216-F305 HydrophobicContact CG2-CE1 4.45Å; I216-F305 HydrophobicContact CG2-CE2 3.68Å; I216-F305 HydrophobicContact CG2-CZ 3.78Å; A217-F305 PolarHBondContact N-O 2.74Å; A217-F305 VanDerWaalsContact N-O 3.09Å; I303-F305 WeakPolarHBondContact CG2-O 3.44Å; F305-L307 HydrophobicContact CD2-CB 4.47Å; F305-L307 HydrophobicContact CE2-CB 4.2Å; F305-P332 HydrophobicContact CD1-CB 4.02Å; F305-V333 HydrophobicContact CB-CG2 4.11Å; F305-F336 HydrophobicContact CE2-CD2 4.47Å; F305-F336 HydrophobicContact CZ-CB 4.37Å; F305-F336 HydrophobicContact CZ-CD2 4.04Å; F305-F336 HydrophobicContact CZ-CG 4.26Å; F305-H378 CarbonylContact C-O 3.43Å; F305-H378 WeakPolarHBondContact CA-O 3.43Å; F305-H378 HydrophobicContact CB-CB 4.16Å; F305-H378 WeakPolarHBondContact CB-O 3.38Å; F305-F380 HydrophobicContact CB-CE1 4.25Å; F305-F380 HydrophobicContact CD2-CD1 4.49Å; F305-F380 AromaticContact CD2-CE1 3.4Å; F305-F380 HydrophobicContact CD2-CE1 3.4Å; F305-F380 AromaticContact CD2-CZ 3.69Å; F305-F380 HydrophobicContact CD2-CZ 3.69Å; F305-F380 AromaticContact CE2-CE1 3.92Å; F305-F380 HydrophobicContact CE2-CE1 3.92Å; F305-F380 AromaticContact CE2-CZ 3.73Å; F305-F380 HydrophobicContact CE2-CZ 3.73Å; F305-F380 AromaticContact CG-CE1 3.93Å; F305-F380 HydrophobicContact CG-CE1 3.93Å; F305-Y422 HydrophobicContact CE1-CD1 4.07Å; F305-Y422 AromaticContact CE1-CE1 3.47Å; F305-Y422 HydrophobicContact CE1-CE1 3.47Å; F305-Y422 VanDerWaalsContact CE1-CE1 3.47Å; F305-Y422 HydrophobicContact CE1-CE2 4.32Å; F305-Y422 AromaticContact CE1-CZ 3.61Å; F305-Y422 HydrophobicContact CZ-CD1 4.14Å; F305-Y422 HydrophobicContact CZ-CE1 4.02Å
306A96.6Very high79.9Confident0 Ų025.5 Ų25.50%020%0.198CC..EExtended strand (participates in β ladder)trans-108.8123.7167.800000110.9A217 V219 F372 H378 A379 F380A217-A306 HydrophobicContact CB-CB 3.97Å; A217-A306 CarbonylContact O-C 3.52Å; A217-A306 VanDerWaalsContact O-CA 3.3Å; A217-A306 WeakPolarHBondContact O-CA 3.49Å; V219-A306 HydrophobicContact CG2-CB 4.4Å; A306-F372 HydrophobicContact CB-CD1 3.74Å; A306-F372 HydrophobicContact CB-CD2 4.4Å; A306-F372 HydrophobicContact CB-CE1 3.83Å; A306-F372 HydrophobicContact CB-CE2 4.5Å; A306-F372 HydrophobicContact CB-CG 4.06Å; A306-F372 HydrophobicContact CB-CZ 4.24Å; A306-H378 PolarHBondContact N-O 2.99Å; A306-A379 HydrophobicContact CB-CB 3.86Å; A306-A379 VanDerWaalsContact O-CA 3.24Å; A306-A379 WeakPolarHBondContact O-CA 3.48Å; A306-F380 PolarHBondContact O-N 3.41Å; A306-F380 VanDerWaalsContact O-N 3.15Å
307L97.7Very high81.3Confident0 Ų026.2 Ų26.20%020%0.203CC..EExtended strand (participates in β ladder)trans-93.5107.3171.2166.462.8000108.3A217 I218 V219 F305 L309 F336 F380 I382 V415A217-L307 PolarHBondContact O-N 3.37Å; I218-L307 CarbonylContact C-O 3.54Å; I218-L307 WeakPolarHBondContact CA-O 3.42Å; V219-L307 PolarHBondContact N-O 2.97Å; F305-L307 HydrophobicContact CD2-CB 4.47Å; F305-L307 HydrophobicContact CE2-CB 4.2Å; L307-L309 HydrophobicContact CD1-CD2 4Å; L307-L309 HydrophobicContact CD2-CD2 4.24Å; L307-L309 HydrophobicContact CG-CD2 4.01Å; L307-L309 HydrophobicContact CG-CG 4.48Å; L307-F336 HydrophobicContact CD2-CZ 4.35Å; L307-F380 HydrophobicContact CB-CE2 4.34Å; L307-F380 HydrophobicContact CB-CZ 4.31Å; L307-F380 HydrophobicContact CD1-CD2 4.09Å; L307-F380 HydrophobicContact CD1-CE2 3.45Å; L307-F380 VanDerWaalsContact CD1-CE2 3.45Å; L307-F380 HydrophobicContact CD1-CZ 4.19Å; L307-F380 HydrophobicContact CG-CE2 4.47Å; L307-I382 HydrophobicContact CD1-CB 4.38Å; L307-I382 HydrophobicContact CD1-CD1 3.45Å; L307-I382 VanDerWaalsContact CD1-CD1 3.45Å; L307-I382 HydrophobicContact CD1-CG1 3.65Å; L307-V415 HydrophobicContact CD2-CG1 4.42Å
308C97.9Very high83.4Confident0 Ų022.9 Ų22.90%017%0.169CC..EExtended strand (participates in β ladder)trans-92130.5174.9-58.90000109.8V219 E368 F380 T381 I382V219-C308 CarbonylContact O-C 3.55Å; V219-C308 VanDerWaalsContact O-CA 3.31Å; V219-C308 WeakPolarHBondContact O-CA 3.49Å; C308-E368 HydrophobicContact CB-CB 4.11Å; C308-F380 PolarHBondContact N-O 3.5Å; C308-T381 HydrophobicContact CB-CG2 4.33Å; C308-T381 WeakPolarHBondContact CB-OG1 3.37Å; C308-T381 CarbonylContact O-C 3.34Å; C308-T381 VanDerWaalsContact O-CA 3.24Å; C308-T381 WeakPolarHBondContact O-CA 3.26Å; C308-I382 PolarHBondContact O-N 3.33Å
309L97.6Very high86Confident0 Ų019.4 Ų19.40%015%0.145CC..EExtended strand (participates in β ladder)trans-106.9125178.3-57.5175000108.7I218 V219 A220 N238 L244 L245 L248 L307 I312 I382 V415I218-L309 HydrophobicContact CG2-CD1 3.97Å; V219-L309 PolarHBondContact O-N 3.36Å; A220-L309 HydrophobicContact CB-CB 4.32Å; N238-L309 PolarHBondContact ND2-O 3.5Å; N238-L309 PolarHBondContact OD1-O 3.46Å; N238-L309 VanDerWaalsContact OD1-O 3.14Å; L244-L309 HydrophobicContact CB-CD1 4.17Å; L244-L309 HydrophobicContact CD2-CD1 4Å; L244-L309 HydrophobicContact CD2-CD2 3.99Å; L244-L309 HydrophobicContact CG-CD1 3.85Å; L245-L309 HydrophobicContact CB-CD1 4.14Å; L248-L309 HydrophobicContact CD1-CD1 4.03Å; L307-L309 HydrophobicContact CD1-CD2 4Å; L307-L309 HydrophobicContact CD2-CD2 4.24Å; L307-L309 HydrophobicContact CG-CD2 4.01Å; L307-L309 HydrophobicContact CG-CG 4.48Å; L309-I312 HydrophobicContact CD2-CD1 4.45Å; L309-I382 HydrophobicContact CD2-CB 4.35Å; L309-V415 HydrophobicContact CD2-CG1 4.15Å
310D95.6Very high88.3Confident1 Ų119 Ų191%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-140.2118.5-179.9-169-9000111.5H221 N238 I312 W367 T381 I382 S383 R393H221-D310 IonicContact NE2-OD1 3.46Å; N238-D310 WeakPolarHBondContact OD1-CA 3.25Å; D310-I312 PolarHBondContact O-N 2.8Å; D310-W367 HydrophobicContact CB-CE3 4.45Å; D310-W367 HydrophobicContact CB-CZ3 4.18Å; D310-W367 WeakPolarHBondContact OD2-CZ3 3.46Å; D310-T381 HydrophobicContact CB-CG2 3.74Å; D310-I382 PolarHBondContact N-O 2.94Å; D310-S383 WeakPolarHBondContact O-CA 3.48Å; D310-S383 WeakPolarHBondContact O-CB 3.21Å; D310-S383 PolarHBondContact O-OG 3.24Å; D310-R393 IonicContact OD2-CZ 3.53Å; D310-R393 IonicContact OD2-NE 3.68Å; D310-R393 IonicContact OD2-NH2 2.7Å; D310-R393 PolarHBondContact OD2-NH2 2.82Å
311S94.5Very high90.4Very high0 Ų017.4 Ų17.40%013%0.125CC..  trans50.263.3165.8-48.30000114.1D236 N238 T240 L313 G314 G384D236-S311 WeakPolarHBondContact O-CA 3.47Å; D236-S311 WeakPolarHBondContact O-CB 3.44Å; D236-S311 PolarHBondContact O-OG 3.22Å; D236-S311 WeakPolarHBondContact OD1-CA 3.24Å; N238-S311 PolarHBondContact N-OG 2.81Å; N238-S311 PolarHBondContact OD1-N 3.02Å; T240-S311 WeakPolarHBondContact OG1-CA 3.33Å; S311-L313 PolarHBondContact O-N 3.39Å; S311-G314 PolarHBondContact O-N 3.41Å; S311-G384 WeakPolarHBondContact O-CA 3.27Å; S311-G384 PolarHBondContact O-N 3.33Å
312I95.5Very high92Very high0 Ų016.8 Ų16.80%012%0.12CC..SBendtrans-69.8-31.3-169-56-61.7000112.7D236 T240 L244 L309 D310 G314 L319 I382 L408 K411 F412D236-I312 PolarHBondContact OD1-N 3.33Å; T240-I312 PolarHBondContact OG1-N 2.98Å; L244-I312 HydrophobicContact CD2-CD1 4.1Å; L244-I312 HydrophobicContact CD2-CG1 3.92Å; L309-I312 HydrophobicContact CD2-CD1 4.45Å; D310-I312 PolarHBondContact O-N 2.8Å; I312-G314 VanDerWaalsContact C-N 3.29Å; I312-L319 HydrophobicContact CG2-CD1 4.21Å; I312-I382 HydrophobicContact CD1-CG2 4.1Å; I312-L408 HydrophobicContact CB-CD1 4.16Å; I312-L408 HydrophobicContact CG2-CD1 3.99Å; I312-K411 HydrophobicContact CG2-CB 3.83Å; I312-K411 HydrophobicContact CG2-CD 4.14Å; I312-K411 WeakPolarHBondContact O-CD 3.37Å; I312-K411 PolarHBondContact O-NZ 2.8Å; I312-F412 HydrophobicContact CB-CE1 4.15Å; I312-F412 HydrophobicContact CG1-CE1 4.43Å; I312-F412 HydrophobicContact CG2-CD1 4.03Å; I312-F412 HydrophobicContact CG2-CE1 4.01Å
313L93Very high92.6Very high28 Ų2814.6 Ų14.615%0.14711%0.105CC..SBendtrans-72.7-27.3179.5177.968.7000111.4D236 T240 S311 W400 T407 L408 K411D236-L313 HydrophobicContact CB-CB 4.26Å; D236-L313 HydrophobicContact CB-CD2 4.41Å; D236-L313 WeakPolarHBondContact OD1-CA 3.44Å; D236-L313 VanDerWaalsContact OD1-CB 3.24Å; D236-L313 WeakPolarHBondContact OD1-CB 3.47Å; D236-L313 PolarHBondContact OD1-N 2.86Å; T240-L313 HydrophobicContact CG2-CB 3.86Å; S311-L313 PolarHBondContact O-N 3.39Å; L313-W400 HydrophobicContact CD2-CZ3 4.37Å; L313-T407 WeakPolarHBondContact CD1-OG1 3.28Å; L313-L408 HydrophobicContact CB-CD1 4.01Å; L313-L408 HydrophobicContact CD1-CB 4.26Å; L313-K411 PolarHBondContact O-NZ 3.08Å
314G82.3Confident92.7Very high5 Ų514.1 Ų14.15%0.05210%0.103CC..THydrogen-bonded Turntrans-50.2158.3-173.200000115.1D236 S311 I312 G316 G384 K411D236-G314 PolarHBondContact OD1-N 2.88Å; D236-G314 WeakPolarHBondContact OD2-CA 3.23Å; D236-G314 PolarHBondContact OD2-N 2.98Å; S311-G314 PolarHBondContact O-N 3.41Å; I312-G314 VanDerWaalsContact C-N 3.29Å; G314-G316 PolarHBondContact O-N 3.45Å; G314-G316 VanDerWaalsContact O-N 3.15Å; G314-G384 CarbonylContact C-O 3.4Å; G314-G384 VanDerWaalsContact C-O 3.26Å; G314-G384 CarbonylContact O-C 3.55Å; G314-G384 WeakPolarHBondContact O-CA 3.25Å; G314-K411 PolarHBondContact O-NZ 3.34Å
315G72.7Confident92.5Very high46 Ų4619.9 Ų19.947%0.47413%0.128SC..THydrogen-bonded Turntrans65.814.4172.400000116.6G384G315-G384 WeakPolarHBondContact CA-O 3.29Å
316G84.2Confident91.9Very high46 Ų4624 Ų2447%0.47415%0.153SC..THydrogen-bonded Turntrans90.8-134.817600000112.9G314 K411G314-G316 PolarHBondContact O-N 3.45Å; G314-G316 VanDerWaalsContact O-N 3.15Å; G316-K411 WeakPolarHBondContact O-CE 3.45Å; G316-K411 PolarHBondContact O-NZ 3.29Å
317S89.1Confident91.2Very high75 Ų7526.3 Ų26.352%0.52416%0.163SC..THydrogen-bonded Turntrans-79.4-16.8-177.951.60000114.3K411S317-K411 WeakPolarHBondContact O-CE 3.43Å
318N93.6Very high90.1Very high41 Ų4134.9 Ų34.922%0.21920%0.201CC..  trans-82.3156.4-171.4-61.8-7.5000111.8Y320 P350 K411N318-Y320 HydrophobicContact CB-CE2 3.9Å; N318-Y320 PolarHBondContact ND2-OH 3.34Å; N318-P350 WeakPolarHBondContact OD1-CB 3.47Å; N318-P350 WeakPolarHBondContact OD1-CG 3.35Å; N318-K411 WeakPolarHBondContact O-CE 3.35Å; N318-K411 PolarHBondContact O-NZ 2.8Å
319L95.4Very high88.8Confident0 Ų038 Ų380%023%0.234CC..EExtended strand (participates in β ladder)trans-124.3139.6170.7-165.367.9000108.6I312 V349 P350 L351 D352 I382 K411 T414 V415I312-L319 HydrophobicContact CG2-CD1 4.21Å; L319-V349 HydrophobicContact CB-CG1 3.9Å; L319-P350 PolarHBondContact N-O 3.26Å; L319-L351 HydrophobicContact CB-CD1 4.2Å; L319-L351 HydrophobicContact CD2-CD1 4.38Å; L319-L351 HydrophobicContact CG-CD1 4.3Å; L319-L351 WeakPolarHBondContact O-CA 3.26Å; L319-L351 WeakPolarHBondContact O-CD1 3.23Å; L319-D352 PolarHBondContact O-N 3.49Å; L319-I382 HydrophobicContact CD1-CG2 3.63Å; L319-I382 HydrophobicContact CD2-CG2 3.73Å; L319-I382 HydrophobicContact CG-CG2 3.71Å; L319-K411 HydrophobicContact CD1-CD 4.44Å; L319-T414 HydrophobicContact CD2-CG2 4.36Å; L319-V415 HydrophobicContact CD2-CG2 4.04Å
320Y96.3Very high88.1Confident17 Ų1743.1 Ų43.17%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-120.4131.1-178.2-57.8-84.7000110.2N318 D352 V354 I382 S383 G384 Q386N318-Y320 HydrophobicContact CB-CE2 3.9Å; N318-Y320 PolarHBondContact ND2-OH 3.34Å; Y320-D352 CarbonylContact C-O 3.54Å; Y320-D352 VanDerWaalsContact CA-O 3.3Å; Y320-D352 WeakPolarHBondContact CA-O 3.44Å; Y320-D352 HydrophobicContact CD1-CB 3.67Å; Y320-D352 HydrophobicContact CE1-CB 3.86Å; Y320-V354 HydrophobicContact CD1-CG2 3.86Å; Y320-V354 HydrophobicContact CG-CG2 4.44Å; Y320-I382 WeakPolarHBondContact O-CA 3.45Å; Y320-S383 WeakPolarHBondContact CA-O 3.26Å; Y320-S383 WeakPolarHBondContact CB-O 3.09Å; Y320-S383 PolarHBondContact N-O 3.16Å; Y320-S383 PolarHBondContact O-N 3.25Å; Y320-G384 WeakPolarHBondContact CD2-O 3.38Å; Y320-G384 WeakPolarHBondContact CE2-O 3.41Å; Y320-Q386 HydrophobicContact CD1-CB 4.21Å; Y320-Q386 HydrophobicContact CD1-CG 4.04Å; Y320-Q386 HydrophobicContact CD2-CB 4.25Å; Y320-Q386 HydrophobicContact CE1-CB 3.91Å; Y320-Q386 HydrophobicContact CE1-CG 3.79Å; Y320-Q386 HydrophobicContact CE2-CB 3.94Å; Y320-Q386 HydrophobicContact CG-CB 4.38Å
321M95.9Very high87.8Confident0 Ų044.4 Ų44.40%028%0.278CS..EExtended strand (participates in β ladder)trans-99.9109.6169.3-173.6-176178.500109.1V323 V333 F336 Q337 L351 D352 I353 V354 F380M321-V323 HydrophobicContact CE-CG1 4.01Å; M321-V323 HydrophobicContact CG-CG1 4.19Å; M321-V333 HydrophobicContact CE-CG1 3.74Å; M321-F336 HydrophobicContact CE-CD1 4.49Å; M321-Q337 HydrophobicContact CE-CB 4.14Å; M321-Q337 HydrophobicContact SD-CB 4Å; M321-Q337 HydrophobicContact SD-CG 3.81Å; M321-L351 HydrophobicContact CB-CD1 4.3Å; M321-D352 PolarHBondContact N-O 3.37Å; M321-I353 HydrophobicContact CB-CG1 4.38Å; M321-I353 WeakPolarHBondContact O-CA 3.46Å; M321-V354 PolarHBondContact O-N 3.49Å; M321-F380 HydrophobicContact CE-CB 3.99Å; M321-F380 HydrophobicContact CE-CD1 3.95Å; M321-F380 HydrophobicContact CE-CD2 3.39Å; M321-F380 HydrophobicContact CE-CE1 4.26Å; M321-F380 HydrophobicContact CE-CE2 3.73Å; M321-F380 HydrophobicContact CE-CG 3.49Å; M321-F380 VanDerWaalsContact CE-CG 3.49Å; M321-F380 HydrophobicContact CE-CZ 4.16Å; M321-F380 HydrophobicContact CG-CD2 4.18Å; M321-F380 HydrophobicContact SD-CD2 4.49Å
322H96Very high87.7Confident3 Ų345.8 Ų45.81%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-89.5122.2179.6-61.4-80.8000110.6V354 W367 F380 T381 F385 Q386H322-V354 WeakPolarHBondContact CA-O 3.21Å; H322-W367 AromaticContact CD2-CE2 3.85Å; H322-W367 AromaticContact CD2-CZ2 3.73Å; H322-W367 AromaticContact CE1-CE2 3.84Å; H322-W367 AromaticContact CE1-CZ2 3.42Å; H322-W367 VanDerWaalsContact CE1-CZ2 3.42Å; H322-W367 WeakPolarHBondContact CE1-CZ2 3.35Å; H322-W367 AromaticContact CE1-NE1 3.94Å; H322-W367 AromaticContact CG-CE2 3.72Å; H322-W367 AromaticContact CG-CZ2 3.97Å; H322-W367 AromaticContact CG-NE1 3.6Å; H322-W367 AromaticContact ND1-CE2 3.71Å; H322-W367 AromaticContact ND1-CZ2 3.79Å; H322-W367 AromaticContact ND1-NE1 3.41Å; H322-W367 PolarHBondContact ND1-NE1 2.88Å; H322-W367 AromaticContact NE2-CE2 3.91Å; H322-W367 AromaticContact NE2-CH2 3.77Å; H322-W367 AromaticContact NE2-CZ2 3.35Å; H322-W367 WeakPolarHBondContact NE2-CZ2 3.38Å; H322-F380 WeakPolarHBondContact O-CA 3.05Å; H322-F380 WeakPolarHBondContact O-CB 3.2Å; H322-T381 PolarHBondContact N-O 3.41Å; H322-T381 PolarHBondContact O-N 3.43Å; H322-F385 PolarHBondContact CE1-O 3.48Å; H322-F385 PolarHBondContact NE2-O 2.92Å; H322-Q386 PolarHBondContact CE1-O 3.14Å; H322-Q386 VanDerWaalsContact CE1-O 3.3Å
323V94.8Very high87.6Confident4 Ų445.9 Ų45.92%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-129.9141.5-178.5-63.30000111.8M321 I353 V354 Q355 K356 F380M321-V323 HydrophobicContact CE-CG1 4.01Å; M321-V323 HydrophobicContact CG-CG1 4.19Å; V323-I353 HydrophobicContact CG2-CG2 3.89Å; V323-V354 PolarHBondContact N-O 3.27Å; V323-Q355 HydrophobicContact CG2-CB 4.18Å; V323-Q355 HydrophobicContact CG2-CG 4.34Å; V323-Q355 WeakPolarHBondContact O-CA 3.39Å; V323-K356 PolarHBondContact O-N 3.44Å; V323-K356 VanDerWaalsContact O-N 3.11Å; V323-F380 HydrophobicContact CG1-CB 3.87Å
324S91.5Very high87.6Confident7 Ų745.5 Ų45.55%0.04929%0.288CS..SBendtrans-79.4-28.9179.360.80000114.2K356 N373S324-K356 VanDerWaalsContact CA-O 3.3Å; S324-K356 WeakPolarHBondContact CA-O 3.43Å; S324-N373 VanDerWaalsContact OG-CG 3.27Å; S324-N373 PolarHBondContact OG-ND2 2.97Å
325K87.9Confident88.1Confident145 Ų14550.3 Ų50.363%0.6331%0.305SS*.SBendtrans-135.2143.4-176.4-65.1177.9-177.2173.30109.6Q327K325-Q327 PolarHBondContact O-N 3.3Å; K325-Q327 PolarHBondContact O-NE2 2.96Å
326T82Confident89.1Confident87 Ų8748.1 Ų48.153%0.53428%0.283SS..  trans-60.6119.3169.7-41.80000108.6K328 Q355T326-K328 PolarHBondContact O-N 3.43Å; T326-Q355 PolarHBondContact OG1-NE2 3.12Å; T326-Q355 PolarHBondContact OG1-OE1 3.47Å
327Q81.4Confident89.6Confident47 Ų4748 Ų4822%0.2227%0.27CS..  trans-79.4120.6178.2-54.5-59.5-41.600108.3K325 V333 A334K325-Q327 PolarHBondContact O-N 3.3Å; K325-Q327 PolarHBondContact O-NE2 2.96Å; Q327-V333 HydrophobicContact CG-CB 4.02Å; Q327-V333 HydrophobicContact CG-CG1 3.72Å; Q327-A334 HydrophobicContact CB-CB 4.06Å
328K75.6Confident89.8Confident180 Ų18049.8 Ų49.878%0.78327%0.27SS*.  trans-107.3141.8176.2-67.3-175.7177.7-176.60109.5T326T326-K328 PolarHBondContact O-N 3.43Å
329G69.7Low89.8Confident67 Ų6749.9 Ų49.969%0.69127%0.268SS*.THydrogen-bonded Turntrans71-152167.700000115.5S331 A334G329-S331 PolarHBondContact O-N 3.32Å; G329-S331 VanDerWaalsContact O-N 3.1Å; G329-A334 VanDerWaalsContact O-CB 3.25Å; G329-A334 WeakPolarHBondContact O-CB 3.22Å
330S82.6Confident89.7Confident107 Ų10749.9 Ų49.975%0.74827%0.268SS*.THydrogen-bonded Turntrans-79.224-174.9620000114.6
331S90.6Very high89.6Confident27 Ų2752.2 Ų52.219%0.18928%0.282CS..  trans-60.8149.6179.670.80000111.2G329 V333 A334 R335G329-S331 PolarHBondContact O-N 3.32Å; G329-S331 VanDerWaalsContact O-N 3.1Å; S331-V333 PolarHBondContact O-N 2.94Å; S331-A334 PolarHBondContact O-N 3.25Å; S331-A334 VanDerWaalsContact O-N 3.12Å; S331-A334 WeakPolarHBondContact OG-CB 3.4Å; S331-A334 PolarHBondContact OG-N 2.82Å; S331-A334 VanDerWaalsContact OG-N 3.13Å; S331-R335 WeakPolarHBondContact O-CG 2.96Å; S331-R335 PolarHBondContact O-N 2.95Å
332P91Very high89.4Confident30 Ų3055.2 Ų55.220%0.19530%0.296CS..Hα-helixtrans-50.2-44.3175.3-30.937.4000113.5E304 F305 R335 F336 Y422E304-P332 HydrophobicContact CG-CB 3.58Å; E304-P332 HydrophobicContact CG-CG 3.6Å; E304-P332 WeakPolarHBondContact OE1-CB 3.27Å; F305-P332 HydrophobicContact CD1-CB 4.02Å; P332-R335 PolarHBondContact O-N 2.62Å; P332-F336 PolarHBondContact O-N 3.46Å; P332-Y422 WeakPolarHBondContact CA-OH 3.17Å; P332-Y422 WeakPolarHBondContact CB-OH 3.36Å; P332-Y422 WeakPolarHBondContact O-CE2 3.35Å
333V93Very high89.3Confident2 Ų255.1 Ų55.11%0.01230%0.295CS..Hα-helixtrans-65.5-43.2179.1-175.80000111.5F305 M321 Q327 S331 R335 F336 Q337 H378 F380F305-V333 HydrophobicContact CB-CG2 4.11Å; M321-V333 HydrophobicContact CE-CG1 3.74Å; Q327-V333 HydrophobicContact CG-CB 4.02Å; Q327-V333 HydrophobicContact CG-CG1 3.72Å; S331-V333 PolarHBondContact O-N 2.94Å; V333-R335 PolarHBondContact O-N 3.12Å; V333-F336 PolarHBondContact O-N 3.24Å; V333-Q337 VanDerWaalsContact O-CB 3.31Å; V333-Q337 WeakPolarHBondContact O-CB 3.28Å; V333-Q337 PolarHBondContact O-N 3.47Å; V333-H378 HydrophobicContact CG2-CB 4Å; V333-F380 HydrophobicContact CB-CD1 4.34Å; V333-F380 HydrophobicContact CB-CE1 4.37Å; V333-F380 HydrophobicContact CG1-CD1 3.49Å; V333-F380 VanDerWaalsContact CG1-CD1 3.49Å; V333-F380 HydrophobicContact CG1-CE1 3.81Å; V333-F380 HydrophobicContact CG1-CG 4.24Å; V333-F380 HydrophobicContact CG2-CD1 4Å; V333-F380 HydrophobicContact CG2-CE1 4.08Å
334A93.1Very high89.2Confident19 Ų1955.1 Ų55.116%0.15730%0.296CS..Hα-helixtrans-64.8-39.3176.900000112.3Q327 G329 S331 Q337 Q338Q327-A334 HydrophobicContact CB-CB 4.06Å; G329-A334 VanDerWaalsContact O-CB 3.25Å; G329-A334 WeakPolarHBondContact O-CB 3.22Å; S331-A334 PolarHBondContact O-N 3.25Å; S331-A334 VanDerWaalsContact O-N 3.12Å; S331-A334 WeakPolarHBondContact OG-CB 3.4Å; S331-A334 PolarHBondContact OG-N 2.82Å; S331-A334 VanDerWaalsContact OG-N 3.13Å; A334-Q337 PolarHBondContact O-N 2.91Å; A334-Q338 PolarHBondContact O-N 3.2Å
335R93.2Very high89.2Confident107 Ų10758.7 Ų58.740%0.40433%0.326SS..Hα-helixtrans-63-45.1174.1-70.8-172.7-58.5169.13.4111.1E304 S331 P332 V333 Q338 K339 Y422E304-R335 IonicContact OE1-NH2 3.35Å; E304-R335 PolarHBondContact OE1-NH2 2.96Å; S331-R335 WeakPolarHBondContact O-CG 2.96Å; S331-R335 PolarHBondContact O-N 2.95Å; P332-R335 PolarHBondContact O-N 2.62Å; V333-R335 PolarHBondContact O-N 3.12Å; R335-Q338 PolarHBondContact O-N 3.49Å; R335-K339 WeakPolarHBondContact O-CG 3.48Å; R335-K339 PolarHBondContact O-N 3.41Å; R335-K339 VanDerWaalsContact O-N 3.15Å; R335-Y422 HydrophobicContact CB-CD2 4.45Å; R335-Y422 HydrophobicContact CB-CE2 3.82Å; R335-Y422 PolarHBondContact NH2-OH 3.41Å
336F94.4Very high89.4Confident0 Ų055.7 Ų55.70%032%0.316CS..Hα-helixtrans-62-46.1175.4178.2-93.4000111.7F305 L307 M321 P332 V333 Q338 K339 L340 F380 I382 L419 Y422F305-F336 HydrophobicContact CE2-CD2 4.47Å; F305-F336 HydrophobicContact CZ-CB 4.37Å; F305-F336 HydrophobicContact CZ-CD2 4.04Å; F305-F336 HydrophobicContact CZ-CG 4.26Å; L307-F336 HydrophobicContact CD2-CZ 4.35Å; M321-F336 HydrophobicContact CE-CD1 4.49Å; P332-F336 PolarHBondContact O-N 3.46Å; V333-F336 PolarHBondContact O-N 3.24Å; F336-Q338 VanDerWaalsContact C-N 3.29Å; F336-Q338 PolarHBondContact O-N 3.36Å; F336-K339 CarbonylContact O-C 3.57Å; F336-K339 PolarHBondContact O-N 2.83Å; F336-L340 HydrophobicContact CE1-CB 4.2Å; F336-L340 HydrophobicContact CE1-CD1 4.5Å; F336-L340 HydrophobicContact CE1-CD2 4.02Å; F336-L340 HydrophobicContact CE1-CG 4.47Å; F336-L340 HydrophobicContact CZ-CD1 4.34Å; F336-L340 WeakPolarHBondContact O-CB 3.48Å; F336-L340 PolarHBondContact O-N 3.48Å; F336-F380 HydrophobicContact CD1-CE1 4.23Å; F336-F380 AromaticContact CD1-CE2 3.57Å; F336-F380 HydrophobicContact CD1-CE2 3.57Å; F336-F380 AromaticContact CD1-CZ 3.24Å; F336-F380 HydrophobicContact CD1-CZ 3.24Å; F336-F380 AromaticContact CE1-CE2 3.39Å; F336-F380 HydrophobicContact CE1-CE2 3.39Å; F336-F380 AromaticContact CE1-CZ 3.49Å; F336-F380 HydrophobicContact CE1-CZ 3.49Å; F336-F380 VanDerWaalsContact CE1-CZ 3.49Å; F336-F380 AromaticContact CG-CZ 3.93Å; F336-F380 HydrophobicContact CG-CZ 3.93Å; F336-F380 HydrophobicContact CZ-CE2 4.34Å; F336-F380 HydrophobicContact CZ-CZ 4.34Å; F336-I382 HydrophobicContact CE1-CD1 4.22Å; F336-I382 HydrophobicContact CZ-CD1 4.42Å; F336-L419 HydrophobicContact CD2-CD1 4.4Å; F336-L419 HydrophobicContact CE2-CB 4.18Å; F336-L419 HydrophobicContact CE2-CD1 3.83Å; F336-Y422 HydrophobicContact CB-CD2 3.69Å; F336-Y422 HydrophobicContact CB-CE2 3.88Å; F336-Y422 HydrophobicContact CB-CG 4.34Å; F336-Y422 HydrophobicContact CD2-CD2 4.11Å; F336-Y422 AromaticContact CD2-CG 3.94Å; F336-Y422 HydrophobicContact CD2-CG 3.94Å; F336-Y422 HydrophobicContact CG-CD2 4.41Å
337Q94.1Very high89.8Confident43 Ų4353.7 Ų53.720%0.20130%0.301CS..Hα-helixtrans-55.8-43.3176.8-177.8-168.4-45.200111.7M321 V333 A334 K339 L340 N341 I353M321-Q337 HydrophobicContact CE-CB 4.14Å; M321-Q337 HydrophobicContact SD-CB 4Å; M321-Q337 HydrophobicContact SD-CG 3.81Å; V333-Q337 VanDerWaalsContact O-CB 3.31Å; V333-Q337 WeakPolarHBondContact O-CB 3.28Å; V333-Q337 PolarHBondContact O-N 3.47Å; A334-Q337 PolarHBondContact O-N 2.91Å; Q337-K339 PolarHBondContact O-N 2.98Å; Q337-L340 PolarHBondContact O-N 2.83Å; Q337-N341 WeakPolarHBondContact O-CB 3.35Å; Q337-N341 PolarHBondContact O-N 3.36Å; Q337-I353 HydrophobicContact CG-CD1 3.9Å
338Q93.2Very high90.3Very high113 Ų11354.6 Ų54.653%0.52832%0.323SS..Hα-helixtrans-59.8-46.5174.6-177.7-175.8-6.300111.5A334 R335 F336 L340 N341 E342A334-Q338 PolarHBondContact O-N 3.2Å; R335-Q338 PolarHBondContact O-N 3.49Å; F336-Q338 VanDerWaalsContact C-N 3.29Å; F336-Q338 PolarHBondContact O-N 3.36Å; Q338-L340 VanDerWaalsContact C-N 3.32Å; Q338-L340 PolarHBondContact O-N 3.01Å; Q338-N341 PolarHBondContact O-N 3.22Å; Q338-E342 WeakPolarHBondContact O-CG 3.48Å; Q338-E342 PolarHBondContact O-N 2.86Å
339K93.3Very high91.1Very high43 Ų4346.6 Ų46.619%0.18729%0.289CS..Hα-helixtrans-66.1-34.3178.7-65.2-43.4-176.1-174.30113.2R335 F336 Q337 E342 S343 R421R335-K339 WeakPolarHBondContact O-CG 3.48Å; R335-K339 PolarHBondContact O-N 3.41Å; R335-K339 VanDerWaalsContact O-N 3.15Å; F336-K339 CarbonylContact O-C 3.57Å; F336-K339 PolarHBondContact O-N 2.83Å; Q337-K339 PolarHBondContact O-N 2.98Å; K339-E342 WeakPolarHBondContact CD-OE2 3.28Å; K339-E342 IonicContact NZ-OE1 3.67Å; K339-E342 PolarHBondContact NZ-OE1 3.43Å; K339-E342 IonicContact NZ-OE2 2.78Å; K339-E342 PolarHBondContact NZ-OE2 3.47Å; K339-S343 PolarHBondContact O-N 3.42Å; K339-S343 VanDerWaalsContact O-N 3.1Å; K339-R421 HydrophobicContact CB-CB 3.93Å; K339-R421 HydrophobicContact CD-CB 4.2Å; K339-R421 HydrophobicContact CG-CB 4.11Å
340L94.1Very high92.3Very high0 Ų046.3 Ų46.30%028%0.275CS..Hα-helixtrans-68-43.7174.3-170.168.9000111.1F336 Q337 Q338 E342 S343 A344 L351 I382 T414F336-L340 HydrophobicContact CE1-CB 4.2Å; F336-L340 HydrophobicContact CE1-CD1 4.5Å; F336-L340 HydrophobicContact CE1-CD2 4.02Å; F336-L340 HydrophobicContact CE1-CG 4.47Å; F336-L340 HydrophobicContact CZ-CD1 4.34Å; F336-L340 WeakPolarHBondContact O-CB 3.48Å; F336-L340 PolarHBondContact O-N 3.48Å; Q337-L340 PolarHBondContact O-N 2.83Å; Q338-L340 VanDerWaalsContact C-N 3.32Å; Q338-L340 PolarHBondContact O-N 3.01Å; L340-E342 PolarHBondContact O-N 3.43Å; L340-S343 CarbonylContact O-C 3.56Å; L340-S343 WeakPolarHBondContact O-CB 3.44Å; L340-S343 PolarHBondContact O-N 3.08Å; L340-S343 VanDerWaalsContact O-N 3.11Å; L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.07Å; L340-L351 HydrophobicContact CB-CD2 4.22Å; L340-L351 HydrophobicContact CD2-CD1 4.33Å; L340-L351 HydrophobicContact CD2-CD2 3.63Å; L340-L351 HydrophobicContact CG-CD2 3.58Å; L340-I382 HydrophobicContact CD1-CD1 4.3Å; L340-I382 HydrophobicContact CD2-CD1 3.68Å; L340-I382 HydrophobicContact CD2-CG1 4.4Å; L340-T414 HydrophobicContact CD1-CG2 4.14Å
341N93.9Very high92.9Very high65 Ų6542.5 Ų42.535%0.34825%0.246SC..Hα-helixtrans-60.5-44.1175.2-75.4-8.2000112.3Q337 Q338 S343 A344 A345 L351Q337-N341 WeakPolarHBondContact O-CB 3.35Å; Q337-N341 PolarHBondContact O-N 3.36Å; Q338-N341 PolarHBondContact O-N 3.22Å; N341-S343 PolarHBondContact O-N 3.41Å; N341-A344 PolarHBondContact O-N 3.08Å; N341-A345 PolarHBondContact O-N 2.77Å; N341-L351 WeakPolarHBondContact OD1-CD2 3.16Å
342E92.5Very high93.1Very high64 Ų6445.1 Ų45.130%0.29926%0.258SS..Hα-helixtrans-57.9-41.1173.8-69.8169.5-162.200111Q338 K339 L340 L346 R421Q338-E342 WeakPolarHBondContact O-CG 3.48Å; Q338-E342 PolarHBondContact O-N 2.86Å; K339-E342 WeakPolarHBondContact CD-OE2 3.28Å; K339-E342 IonicContact NZ-OE1 3.67Å; K339-E342 PolarHBondContact NZ-OE1 3.43Å; K339-E342 IonicContact NZ-OE2 2.78Å; K339-E342 PolarHBondContact NZ-OE2 3.47Å; L340-E342 PolarHBondContact O-N 3.43Å; E342-L346 PolarHBondContact O-N 3.05Å; E342-R421 IonicContact OE2-NH1 3.3Å; E342-R421 PolarHBondContact OE2-NH1 2.93Å
343S92.5Very high93.2Very high0 Ų047.1 Ų47.10%027%0.266CS..Hα-helixtrans-72.2-35178.5-1640000113.6K339 L340 N341 L346 H347 T414 S417 G418K339-S343 PolarHBondContact O-N 3.42Å; K339-S343 VanDerWaalsContact O-N 3.1Å; L340-S343 CarbonylContact O-C 3.56Å; L340-S343 WeakPolarHBondContact O-CB 3.44Å; L340-S343 PolarHBondContact O-N 3.08Å; L340-S343 VanDerWaalsContact O-N 3.11Å; N341-S343 PolarHBondContact O-N 3.41Å; S343-L346 WeakPolarHBondContact O-CB 3.27Å; S343-L346 PolarHBondContact O-N 3.11Å; S343-H347 PolarHBondContact O-CD2 3.14Å; S343-H347 PolarHBondContact O-N 2.92Å; S343-T414 WeakPolarHBondContact CB-O 3.32Å; S343-T414 PolarHBondContact OG-O 2.96Å; S343-T414 VanDerWaalsContact OG-O 3.14Å; S343-S417 WeakPolarHBondContact OG-CB 3.26Å; S343-G418 PolarHBondContact OG-N 3.29Å
344A93.1Very high93.2Very high4 Ų448.8 Ų48.83%0.03328%0.276CS..Hα-helixtrans-67.8-41179.100000110.8L340 N341 L346 H347 G348 V349 L351 T414L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.07Å; N341-A344 PolarHBondContact O-N 3.08Å; A344-L346 VanDerWaalsContact C-N 3.3Å; A344-L346 PolarHBondContact O-N 3.03Å; A344-H347 PolarHBondContact O-N 2.79Å; A344-G348 PolarHBondContact O-N 2.96Å; A344-V349 WeakPolarHBondContact CB-O 3.24Å; A344-V349 PolarHBondContact O-N 3.49Å; A344-L351 HydrophobicContact CB-CB 3.81Å; A344-L351 HydrophobicContact CB-CD2 4.02Å; A344-T414 HydrophobicContact CB-CG2 3.7Å
345A92.9Very high93.1Very high83 Ų8352.3 Ų52.369%0.68629%0.289SS*.Hα-helixtrans-61.8-36.617300000112.6N341N341-A345 PolarHBondContact O-N 2.77Å
346L90.3Very high93Very high81 Ų8150.6 Ų50.642%0.42429%0.285SS..Hα-helixtrans-65.1-41.8178.2179.964.6000112.5E342 S343 A344E342-L346 PolarHBondContact O-N 3.05Å; S343-L346 WeakPolarHBondContact O-CB 3.27Å; S343-L346 PolarHBondContact O-N 3.11Å; A344-L346 VanDerWaalsContact C-N 3.3Å; A344-L346 PolarHBondContact O-N 3.03Å
347H90.1Very high92.7Very high46 Ų4658.5 Ų58.521%0.21332%0.319CS..THydrogen-bonded Turntrans-96.36.2-175.7-60.7-60.7000113.6S343 A344 V349S343-H347 PolarHBondContact O-CD2 3.14Å; S343-H347 PolarHBondContact O-N 2.92Å; A344-H347 PolarHBondContact O-N 2.79Å; H347-V349 VanDerWaalsContact C-N 3.31Å; H347-V349 HydrophobicContact CB-CG2 4.4Å; H347-V349 PolarHBondContact O-N 3.06Å
348G91.9Very high92.3Very high66 Ų6658.3 Ų58.368%0.6832%0.321SS*.THydrogen-bonded Turntrans67.226.417800000114.6A344A344-G348 PolarHBondContact O-N 2.96Å
349V93.6Very high92Very high12 Ų1257 Ų577%0.07332%0.318CS..  trans-98118.4-180178.20000109.4L319 A344 H347 L351 P410 K411L319-V349 HydrophobicContact CB-CG1 3.9Å; A344-V349 WeakPolarHBondContact CB-O 3.24Å; A344-V349 PolarHBondContact O-N 3.49Å; H347-V349 VanDerWaalsContact C-N 3.31Å; H347-V349 HydrophobicContact CB-CG2 4.4Å; H347-V349 PolarHBondContact O-N 3.06Å; V349-L351 PolarHBondContact O-N 3.39Å; V349-P410 HydrophobicContact CG2-CB 3.8Å; V349-K411 HydrophobicContact CG1-CG 4.1Å; V349-K411 HydrophobicContact CG2-CG 4.33Å
350P94.6Very high91.6Very high61 Ų6161.6 Ų61.640%0.39634%0.343SS..  trans-63.8124.6173.3-20.833.6000110.5N318 L319N318-P350 WeakPolarHBondContact OD1-CB 3.47Å; N318-P350 WeakPolarHBondContact OD1-CG 3.35Å; L319-P350 PolarHBondContact N-O 3.26Å
351L95.1Very high91.2Very high27 Ų2765.7 Ų65.714%0.14138%0.377CS..EExtended strand (participates in β ladder)trans-117.9113.5-179.9176.359.1000110.6L319 M321 L340 N341 A344 V349L319-L351 HydrophobicContact CB-CD1 4.2Å; L319-L351 HydrophobicContact CD2-CD1 4.38Å; L319-L351 HydrophobicContact CG-CD1 4.3Å; L319-L351 WeakPolarHBondContact O-CA 3.26Å; L319-L351 WeakPolarHBondContact O-CD1 3.23Å; M321-L351 HydrophobicContact CB-CD1 4.3Å; L340-L351 HydrophobicContact CB-CD2 4.22Å; L340-L351 HydrophobicContact CD2-CD1 4.33Å; L340-L351 HydrophobicContact CD2-CD2 3.63Å; L340-L351 HydrophobicContact CG-CD2 3.58Å; N341-L351 WeakPolarHBondContact OD1-CD2 3.16Å; A344-L351 HydrophobicContact CB-CB 3.81Å; A344-L351 HydrophobicContact CB-CD2 4.02Å; V349-L351 PolarHBondContact O-N 3.39Å
352D94.2Very high90.7Very high82 Ų8265.9 Ų65.944%0.43938%0.378SS..EExtended strand (participates in β ladder)trans-108150.5177.5-74.6-27.3000111.1L319 Y320 M321L319-D352 PolarHBondContact O-N 3.49Å; Y320-D352 CarbonylContact C-O 3.54Å; Y320-D352 VanDerWaalsContact CA-O 3.3Å; Y320-D352 WeakPolarHBondContact CA-O 3.44Å; Y320-D352 HydrophobicContact CD1-CB 3.67Å; Y320-D352 HydrophobicContact CE1-CB 3.86Å; M321-D352 PolarHBondContact N-O 3.37Å
353I93.5Very high90.1Very high72 Ų7267.3 Ų67.337%0.36939%0.388SS..EExtended strand (participates in β ladder)trans-110.6117.3179-59.8160.7000108.6M321 V323 Q337M321-I353 HydrophobicContact CB-CG1 4.38Å; M321-I353 WeakPolarHBondContact O-CA 3.46Å; V323-I353 HydrophobicContact CG2-CG2 3.89Å; Q337-I353 HydrophobicContact CG-CD1 3.9Å
354V93.6Very high89.9Confident36 Ų3670.9 Ų70.922%0.21840%0.401CS..EExtended strand (participates in β ladder)trans-104.1115.8179.4-179.20000108.3Y320 M321 H322 V323 Q386Y320-V354 HydrophobicContact CD1-CG2 3.86Å; Y320-V354 HydrophobicContact CG-CG2 4.44Å; M321-V354 PolarHBondContact O-N 3.49Å; H322-V354 WeakPolarHBondContact CA-O 3.21Å; V323-V354 PolarHBondContact N-O 3.27Å; V354-Q386 HydrophobicContact CG2-CG 4.15Å
355Q91.8Very high89.8Confident93 Ų9371.8 Ų71.844%0.43541%0.406SS..EExtended strand (participates in β ladder)trans-100.5120.3177.5-176.1179-22.400110.8V323 T326V323-Q355 HydrophobicContact CG2-CB 4.18Å; V323-Q355 HydrophobicContact CG2-CG 4.34Å; V323-Q355 WeakPolarHBondContact O-CA 3.39Å; T326-Q355 PolarHBondContact OG1-NE2 3.12Å; T326-Q355 PolarHBondContact OG1-OE1 3.47Å
356K90.7Very high89.8Confident71 Ų7168.3 Ų68.331%0.30938%0.376SS..  trans-133.6121.4173.3-174.6-178.3178.8-176.10109.3V323 S324 S366V323-K356 PolarHBondContact O-N 3.44Å; V323-K356 VanDerWaalsContact O-N 3.11Å; S324-K356 VanDerWaalsContact CA-O 3.3Å; S324-K356 WeakPolarHBondContact CA-O 3.43Å; K356-S366 PolarHBondContact NZ-OG 3.33Å
357K87.9Confident90Very high167 Ų16764.6 Ų64.673%0.72636%0.357SS*.  trans-65.8138.6174.1-68.4-178.9-178.6175.50109.3N359K357-N359 PolarHBondContact O-N 3.09Å
358V86.1Confident90.2Very high39 Ų3962.5 Ų62.524%0.23635%0.347CS..  trans-60.1123.8176.2-1740000109.3L360 E370 I374V358-L360 HydrophobicContact CG1-CD2 4.31Å; V358-E370 HydrophobicContact CG1-CB 4.1Å; V358-E370 HydrophobicContact CG1-CG 4.38Å; V358-E370 HydrophobicContact CG2-CB 4.16Å; V358-E370 HydrophobicContact CG2-CG 3.99Å; V358-I374 HydrophobicContact CG1-CD1 4.26Å; V358-I374 HydrophobicContact CG1-CG1 4.2Å
359N87.5Confident90.4Very high86 Ų8659.5 Ų59.546%0.4632%0.315SS..  trans-91.4103.8175.3-173.810.5000109.7K357 A361 D362K357-N359 PolarHBondContact O-N 3.09Å; N359-A361 PolarHBondContact O-N 2.99Å; N359-A361 WeakPolarHBondContact OD1-CB 3.36Å; N359-A361 PolarHBondContact OD1-N 3.11Å; N359-D362 HydrophobicContact CB-CB 4.35Å; N359-D362 PolarHBondContact O-N 2.72Å
360L84.6Confident90.4Very high139 Ų13959.1 Ų59.173%0.72831%0.312SS*.THydrogen-bonded Turntrans-74.6-12.7179.2-64.3173.9000113.5V358 I374V358-L360 HydrophobicContact CG1-CD2 4.31Å; L360-I374 HydrophobicContact CD2-CD1 4.18Å; L360-I374 HydrophobicContact CD2-CG1 3.98Å
361A84.4Confident90.4Very high86 Ų8656.4 Ų56.471%0.71130%0.295SS*.THydrogen-bonded Turntrans-85.6-11.6177.900000112.7N359N359-A361 PolarHBondContact O-N 2.99Å; N359-A361 WeakPolarHBondContact OD1-CB 3.36Å; N359-A361 PolarHBondContact OD1-N 3.11Å
362D83.5Confident90.4Very high68 Ų6855.1 Ų55.136%0.36429%0.289SS..  trans-86.9130.5175.8-161.9-17.3000109.3N359 R364N359-D362 HydrophobicContact CB-CB 4.35Å; N359-D362 PolarHBondContact O-N 2.72Å; D362-R364 PolarHBondContact O-N 3.36Å; D362-R364 PolarHBondContact OD1-N 2.66Å; D362-R364 VanDerWaalsContact OD1-N 3.14Å
363D81.2Confident90.3Very high94 Ų9452.5 Ų52.550%0.50328%0.275SS..SBendtrans-65.3-23.9176.5-68.9-22.9000111.3N278N278-D363 PolarHBondContact ND2-O 3.22Å
364R86.9Confident90.2Very high76 Ų7652.5 Ų52.529%0.28728%0.275SS..SBendtrans-111.8124.7-177.8-61.5-175.271.5131.93.8111.6K276 D362K276-R364 PolarHBondContact O-NH2 3.46Å; K276-R364 VanDerWaalsContact O-NH2 3.1Å; D362-R364 PolarHBondContact O-N 3.36Å; D362-R364 PolarHBondContact OD1-N 2.66Å; D362-R364 VanDerWaalsContact OD1-N 3.14Å
365L91.9Very high90Very high23 Ų2357 Ų5712%0.1229%0.288CS..  trans-68140.2169.5-61.8-177.1000110.4N278 F279 E370 A371 I374N278-L365 WeakPolarHBondContact OD1-CB 3.39Å; N278-L365 WeakPolarHBondContact OD1-CG 3.45Å; N278-L365 PolarHBondContact OD1-N 3.25Å; F279-L365 HydrophobicContact CD2-CB 3.81Å; F279-L365 HydrophobicContact CD2-CD1 4.25Å; F279-L365 HydrophobicContact CE2-CB 4.02Å; L365-E370 WeakPolarHBondContact CA-OE2 3.26Å; L365-E370 HydrophobicContact CB-CB 4.48Å; L365-E370 HydrophobicContact CD1-CB 4.41Å; L365-E370 HydrophobicContact CD2-CB 4.04Å; L365-A371 HydrophobicContact CD1-CB 3.81Å; L365-I374 HydrophobicContact CD2-CD1 3.75Å
366S91.7Very high89.8Confident10 Ų1063.8 Ų63.87%0.0731%0.309CS..SBendtrans-75.7-41.9178.9-72.80000112K356 E370 P388K356-S366 PolarHBondContact NZ-OG 3.33Å; S366-E370 PolarHBondContact N-OE2 2.94Å; S366-P388 VanDerWaalsContact O-CB 3.23Å; S366-P388 WeakPolarHBondContact O-CB 3.46Å
367W94.8Very high89.8Confident3 Ų361.3 Ų61.31%0.01130%0.299CS..SBendtrans-140.5155.3-174.9-63.9114.1000111.2D310 H322 H369 E370 T381 F385 P388D310-W367 HydrophobicContact CB-CE3 4.45Å; D310-W367 HydrophobicContact CB-CZ3 4.18Å; D310-W367 WeakPolarHBondContact OD2-CZ3 3.46Å; H322-W367 AromaticContact CD2-CE2 3.85Å; H322-W367 AromaticContact CD2-CZ2 3.73Å; H322-W367 AromaticContact CE1-CE2 3.84Å; H322-W367 AromaticContact CE1-CZ2 3.42Å; H322-W367 VanDerWaalsContact CE1-CZ2 3.42Å; H322-W367 WeakPolarHBondContact CE1-CZ2 3.35Å; H322-W367 AromaticContact CE1-NE1 3.94Å; H322-W367 AromaticContact CG-CE2 3.72Å; H322-W367 AromaticContact CG-CZ2 3.97Å; H322-W367 AromaticContact CG-NE1 3.6Å; H322-W367 AromaticContact ND1-CE2 3.71Å; H322-W367 AromaticContact ND1-CZ2 3.79Å; H322-W367 AromaticContact ND1-NE1 3.41Å; H322-W367 PolarHBondContact ND1-NE1 2.88Å; H322-W367 AromaticContact NE2-CE2 3.91Å; H322-W367 AromaticContact NE2-CH2 3.77Å; H322-W367 AromaticContact NE2-CZ2 3.35Å; H322-W367 WeakPolarHBondContact NE2-CZ2 3.38Å; W367-H369 VanDerWaalsContact C-N 3.29Å; W367-H369 VanDerWaalsContact CB-CE1 3.42Å; W367-H369 WeakPolarHBondContact CB-CE1 3.29Å; W367-H369 VanDerWaalsContact CB-ND1 3.26Å; W367-H369 WeakPolarHBondContact CB-ND1 3.18Å; W367-H369 AromaticContact CD1-CE1 3.77Å; W367-H369 AromaticContact CG-CE1 3.81Å; W367-H369 PolarHBondContact O-N 3.49Å; W367-E370 HydrophobicContact CB-CG 4.45Å; W367-E370 WeakPolarHBondContact O-CB 3.28Å; W367-E370 WeakPolarHBondContact O-CG 3.49Å; W367-E370 PolarHBondContact O-N 3.27Å; W367-E370 VanDerWaalsContact O-N 3.12Å; W367-T381 HydrophobicContact CD2-CG2 4.45Å; W367-T381 HydrophobicContact CE3-CG2 3.9Å; W367-T381 HydrophobicContact CZ3-CG2 4.38Å; W367-F385 HydrophobicContact CH2-CB 4.31Å; W367-P388 HydrophobicContact CD2-CB 4.17Å; W367-P388 HydrophobicContact CH2-CB 4.44Å; W367-P388 HydrophobicContact CZ2-CB 3.88Å; W367-P388 HydrophobicContact CZ2-CG 4.42Å
368E95.4Very high90Very high1 Ų158 Ų581%0.00529%0.286CS..Hα-helixtrans-62.3-35.3-176-170.1165-148.300113.1V219 S272 F279 S282 C308 E370 A371 F372V219-E368 VanDerWaalsContact CG1-CD 3.46Å; V219-E368 HydrophobicContact CG1-CG 4.32Å; V219-E368 VanDerWaalsContact CG1-OE1 3.29Å; V219-E368 WeakPolarHBondContact CG1-OE1 3.46Å; S272-E368 PolarHBondContact OG-OE1 3.23Å; F279-E368 HydrophobicContact CD1-CB 3.59Å; F279-E368 HydrophobicContact CD1-CG 3.73Å; F279-E368 HydrophobicContact CE1-CB 3.61Å; F279-E368 HydrophobicContact CE1-CG 4.24Å; F279-E368 HydrophobicContact CG-CB 4.18Å; F279-E368 HydrophobicContact CG-CG 4.23Å; F279-E368 HydrophobicContact CZ-CB 4.19Å; S282-E368 PolarHBondContact OG-OE1 3.01Å; C308-E368 HydrophobicContact CB-CB 4.11Å; E368-E370 PolarHBondContact O-N 3.02Å; E368-E370 VanDerWaalsContact O-N 3.11Å; E368-A371 WeakPolarHBondContact O-CB 3.37Å; E368-A371 PolarHBondContact O-N 2.96Å; E368-A371 VanDerWaalsContact O-N 3.11Å; E368-F372 HydrophobicContact CG-CE2 4.38Å
369H95.4Very high90.5Very high3 Ų356.3 Ų56.31%0.01428%0.276CS..Hα-helixtrans-63.7-18.517974-86.1000113.8W367 A371 F372 N373 A379 T381W367-H369 VanDerWaalsContact C-N 3.29Å; W367-H369 VanDerWaalsContact CB-CE1 3.42Å; W367-H369 WeakPolarHBondContact CB-CE1 3.29Å; W367-H369 VanDerWaalsContact CB-ND1 3.26Å; W367-H369 WeakPolarHBondContact CB-ND1 3.18Å; W367-H369 AromaticContact CD1-CE1 3.77Å; W367-H369 AromaticContact CG-CE1 3.81Å; W367-H369 PolarHBondContact O-N 3.49Å; H369-A371 VanDerWaalsContact C-N 3.31Å; H369-F372 PolarHBondContact O-N 3.28Å; H369-N373 PolarHBondContact CD2-ND2 3.44Å; H369-N373 VanDerWaalsContact CD2-ND2 3.34Å; H369-N373 PolarHBondContact O-N 3.25Å; H369-N373 VanDerWaalsContact O-N 3.08Å; H369-N373 PolarHBondContact O-ND2 2.89Å; H369-A379 HydrophobicContact CB-CB 3.74Å; H369-T381 WeakPolarHBondContact ND1-CB 3.05Å; H369-T381 PolarHBondContact ND1-OG1 2.84Å
370E94.7Very high90.9Very high4 Ų452.2 Ų52.22%0.01925%0.254CS..Hα-helixtrans-65.8-36.9175.8-60.5-170.2151.500111V358 L365 S366 W367 E368 F372 N373 I374V358-E370 HydrophobicContact CG1-CB 4.1Å; V358-E370 HydrophobicContact CG1-CG 4.38Å; V358-E370 HydrophobicContact CG2-CB 4.16Å; V358-E370 HydrophobicContact CG2-CG 3.99Å; L365-E370 WeakPolarHBondContact CA-OE2 3.26Å; L365-E370 HydrophobicContact CB-CB 4.48Å; L365-E370 HydrophobicContact CD1-CB 4.41Å; L365-E370 HydrophobicContact CD2-CB 4.04Å; S366-E370 PolarHBondContact N-OE2 2.94Å; W367-E370 HydrophobicContact CB-CG 4.45Å; W367-E370 WeakPolarHBondContact O-CB 3.28Å; W367-E370 WeakPolarHBondContact O-CG 3.49Å; W367-E370 PolarHBondContact O-N 3.27Å; W367-E370 VanDerWaalsContact O-N 3.12Å; E368-E370 PolarHBondContact O-N 3.02Å; E368-E370 VanDerWaalsContact O-N 3.11Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.46Å; E370-N373 PolarHBondContact O-N 3.06Å; E370-I374 WeakPolarHBondContact O-CD1 3.41Å; E370-I374 VanDerWaalsContact O-CG1 3.24Å; E370-I374 WeakPolarHBondContact O-CG1 3.19Å; E370-I374 PolarHBondContact O-N 3.45Å
371A93.8Very high91.5Very high5 Ų545.6 Ų45.64%0.04122%0.22CC..Hα-helixtrans-59.5-43.4177.300000111.8K283 I286 L365 E368 H369K283-A371 HydrophobicContact CG-CB 3.94Å; I286-A371 HydrophobicContact CD1-CB 3.91Å; L365-A371 HydrophobicContact CD1-CB 3.81Å; E368-A371 WeakPolarHBondContact O-CB 3.37Å; E368-A371 PolarHBondContact O-N 2.96Å; E368-A371 VanDerWaalsContact O-N 3.11Å; H369-A371 VanDerWaalsContact C-N 3.31Å
372F94.2Very high92.1Very high0 Ų041.5 Ų41.50%019%0.186CC..Hα-helixtrans-66.4-45.5176.1-71.4-90.7000112.3V219 W285 I286 A306 E368 H369 E370 I374 R375 R376 M377 A379V219-F372 HydrophobicContact CG1-CE2 4.28Å; V219-F372 HydrophobicContact CG1-CZ 4.3Å; V219-F372 HydrophobicContact CG2-CE2 4.15Å; V219-F372 HydrophobicContact CG2-CZ 3.73Å; W285-F372 HydrophobicContact CE3-CE1 4.46Å; W285-F372 HydrophobicContact CZ3-CE1 4.03Å; I286-F372 HydrophobicContact CD1-CB 4.35Å; I286-F372 HydrophobicContact CD1-CD1 3.72Å; I286-F372 HydrophobicContact CD1-CD2 3.79Å; I286-F372 HydrophobicContact CD1-CE1 3.83Å; I286-F372 HydrophobicContact CD1-CE2 3.88Å; I286-F372 HydrophobicContact CD1-CG 3.69Å; I286-F372 HydrophobicContact CD1-CZ 3.88Å; I286-F372 HydrophobicContact CG1-CD1 3.81Å; I286-F372 HydrophobicContact CG1-CE1 3.62Å; I286-F372 HydrophobicContact CG1-CE2 4.46Å; I286-F372 HydrophobicContact CG1-CG 4.31Å; I286-F372 HydrophobicContact CG1-CZ 3.95Å; A306-F372 HydrophobicContact CB-CD1 3.74Å; A306-F372 HydrophobicContact CB-CD2 4.4Å; A306-F372 HydrophobicContact CB-CE1 3.83Å; A306-F372 HydrophobicContact CB-CE2 4.5Å; A306-F372 HydrophobicContact CB-CG 4.06Å; A306-F372 HydrophobicContact CB-CZ 4.24Å; E368-F372 HydrophobicContact CG-CE2 4.38Å; H369-F372 PolarHBondContact O-N 3.28Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.46Å; F372-I374 VanDerWaalsContact C-N 3.32Å; F372-I374 PolarHBondContact O-N 3.49Å; F372-R375 CarbonylContact O-C 3.14Å; F372-R375 PolarHBondContact O-N 3.35Å; F372-R375 VanDerWaalsContact O-N 3.09Å; F372-R376 PolarHBondContact O-N 3.05Å; F372-M377 CarbonylContact C-O 3.53Å; F372-M377 HydrophobicContact CB-CB 4.2Å; F372-M377 HydrophobicContact CD1-CB 4.42Å; F372-M377 HydrophobicContact CD1-SD 4.08Å; F372-M377 PolarHBondContact O-N 2.91Å; F372-A379 HydrophobicContact CB-CB 3.37Å; F372-A379 HydrophobicContact CD2-CB 4.32Å; F372-A379 HydrophobicContact CG-CB 3.93Å
373N92.6Very high92.7Very high27 Ų2738.3 Ų38.314%0.14417%0.169CC..Hα-helixtrans-65.6-33.9-178-77.4-49.7000112.7S324 H369 E370 R375 R376 M377 A379S324-N373 VanDerWaalsContact OG-CG 3.27Å; S324-N373 PolarHBondContact OG-ND2 2.97Å; H369-N373 PolarHBondContact CD2-ND2 3.44Å; H369-N373 VanDerWaalsContact CD2-ND2 3.34Å; H369-N373 PolarHBondContact O-N 3.25Å; H369-N373 VanDerWaalsContact O-N 3.08Å; H369-N373 PolarHBondContact O-ND2 2.89Å; E370-N373 PolarHBondContact O-N 3.06Å; N373-R375 PolarHBondContact O-N 3.5Å; N373-R376 PolarHBondContact O-N 3.43Å; N373-M377 WeakPolarHBondContact CA-O 3.17Å; N373-M377 PolarHBondContact OD1-O 3.39Å; N373-A379 PolarHBondContact ND2-O 3.22Å; N373-A379 PolarHBondContact OD1-N 2.91Å
374I90.9Very high93.4Very high72 Ų7233.8 Ų33.837%0.36915%0.145SC..Hα-helixtrans-57.9-38.9173.2-71.4164.6000110.6V358 L360 L365 E370 F372 R376V358-I374 HydrophobicContact CG1-CD1 4.26Å; V358-I374 HydrophobicContact CG1-CG1 4.2Å; L360-I374 HydrophobicContact CD2-CD1 4.18Å; L360-I374 HydrophobicContact CD2-CG1 3.98Å; L365-I374 HydrophobicContact CD2-CD1 3.75Å; E370-I374 WeakPolarHBondContact O-CD1 3.41Å; E370-I374 VanDerWaalsContact O-CG1 3.24Å; E370-I374 WeakPolarHBondContact O-CG1 3.19Å; E370-I374 PolarHBondContact O-N 3.45Å; F372-I374 VanDerWaalsContact C-N 3.32Å; F372-I374 PolarHBondContact O-N 3.49Å; I374-R376 PolarHBondContact O-N 2.82Å
375R89.6Confident93.7Very high130 Ų13030.7 Ų30.749%0.49113%0.133SC..THydrogen-bonded Turntrans-88.120.1176.3-62.7-67.8-171.9-145.71.6113.5I286 E287 F372 N373 M377I286-R375 HydrophobicContact CG2-CB 3.7Å; I286-R375 HydrophobicContact CG2-CG 3.64Å; E287-R375 IonicContact OE1-CZ 3.97Å; E287-R375 IonicContact OE1-NE 3.01Å; E287-R375 IonicContact OE1-NH2 2.9Å; E287-R375 PolarHBondContact OE1-NH2 2.97Å; F372-R375 CarbonylContact O-C 3.14Å; F372-R375 PolarHBondContact O-N 3.35Å; F372-R375 VanDerWaalsContact O-N 3.09Å; N373-R375 PolarHBondContact O-N 3.5Å; R375-M377 PolarHBondContact O-N 2.98Å
376R88.6Confident93.8Very high236 Ų23635.4 Ų35.489%0.89116%0.155SC*.THydrogen-bonded Turntrans59.724.5177.4-53.1-179.6179.7-175.80.1114.4F372 N373 I374F372-R376 PolarHBondContact O-N 3.05Å; N373-R376 PolarHBondContact O-N 3.43Å; I374-R376 PolarHBondContact O-N 2.82Å
377M90.4Very high93.8Very high19 Ų1937.3 Ų37.39%0.09417%0.168CC..  trans-93.1135.8169.8-59.7178.5-173.300109.1I286 F289 I303 F372 N373 R375 A379I286-M377 HydrophobicContact CG2-CE 3.77Å; I286-M377 HydrophobicContact CG2-SD 3.97Å; F289-M377 HydrophobicContact CD1-CE 3.77Å; F289-M377 HydrophobicContact CE1-CE 4.27Å; I303-M377 HydrophobicContact CD1-SD 3.81Å; F372-M377 CarbonylContact C-O 3.53Å; F372-M377 HydrophobicContact CB-CB 4.2Å; F372-M377 HydrophobicContact CD1-CB 4.42Å; F372-M377 HydrophobicContact CD1-SD 4.08Å; F372-M377 PolarHBondContact O-N 2.91Å; N373-M377 WeakPolarHBondContact CA-O 3.17Å; N373-M377 PolarHBondContact OD1-O 3.39Å; R375-M377 PolarHBondContact O-N 2.98Å; M377-A379 PolarHBondContact O-N 3.14Å
378H92.8Very high93.6Very high97 Ų9737.8 Ų37.845%0.44917%0.171SC..  trans-69.4121.3177.4-64.4-61.4000109.7F305 A306 V333F305-H378 CarbonylContact C-O 3.43Å; F305-H378 WeakPolarHBondContact CA-O 3.43Å; F305-H378 HydrophobicContact CB-CB 4.16Å; F305-H378 WeakPolarHBondContact CB-O 3.38Å; A306-H378 PolarHBondContact N-O 2.99Å; V333-H378 HydrophobicContact CG2-CB 4Å
379A95.1Very high93.3Very high4 Ų443.4 Ų43.43%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-149.1153.2178.300000112.5A306 H369 F372 N373 M377A306-A379 HydrophobicContact CB-CB 3.86Å; A306-A379 VanDerWaalsContact O-CA 3.24Å; A306-A379 WeakPolarHBondContact O-CA 3.48Å; H369-A379 HydrophobicContact CB-CB 3.74Å; F372-A379 HydrophobicContact CB-CB 3.37Å; F372-A379 HydrophobicContact CD2-CB 4.32Å; F372-A379 HydrophobicContact CG-CB 3.93Å; N373-A379 PolarHBondContact ND2-O 3.22Å; N373-A379 PolarHBondContact OD1-N 2.91Å; M377-A379 PolarHBondContact O-N 3.14Å
380F96.7Very high93.1Very high0 Ų045.5 Ų45.50%021%0.209CC..EExtended strand (participates in β ladder)trans-148154.2177.555.4-89.7000110.3F305 A306 L307 C308 M321 H322 V323 V333 F336 I382F305-F380 HydrophobicContact CB-CE1 4.25Å; F305-F380 HydrophobicContact CD2-CD1 4.49Å; F305-F380 AromaticContact CD2-CE1 3.4Å; F305-F380 HydrophobicContact CD2-CE1 3.4Å; F305-F380 AromaticContact CD2-CZ 3.69Å; F305-F380 HydrophobicContact CD2-CZ 3.69Å; F305-F380 AromaticContact CE2-CE1 3.92Å; F305-F380 HydrophobicContact CE2-CE1 3.92Å; F305-F380 AromaticContact CE2-CZ 3.73Å; F305-F380 HydrophobicContact CE2-CZ 3.73Å; F305-F380 AromaticContact CG-CE1 3.93Å; F305-F380 HydrophobicContact CG-CE1 3.93Å; A306-F380 PolarHBondContact O-N 3.41Å; A306-F380 VanDerWaalsContact O-N 3.15Å; L307-F380 HydrophobicContact CB-CE2 4.34Å; L307-F380 HydrophobicContact CB-CZ 4.31Å; L307-F380 HydrophobicContact CD1-CD2 4.09Å; L307-F380 HydrophobicContact CD1-CE2 3.45Å; L307-F380 VanDerWaalsContact CD1-CE2 3.45Å; L307-F380 HydrophobicContact CD1-CZ 4.19Å; L307-F380 HydrophobicContact CG-CE2 4.47Å; C308-F380 PolarHBondContact N-O 3.5Å; M321-F380 HydrophobicContact CE-CB 3.99Å; M321-F380 HydrophobicContact CE-CD1 3.95Å; M321-F380 HydrophobicContact CE-CD2 3.39Å; M321-F380 HydrophobicContact CE-CE1 4.26Å; M321-F380 HydrophobicContact CE-CE2 3.73Å; M321-F380 HydrophobicContact CE-CG 3.49Å; M321-F380 VanDerWaalsContact CE-CG 3.49Å; M321-F380 HydrophobicContact CE-CZ 4.16Å; M321-F380 HydrophobicContact CG-CD2 4.18Å; M321-F380 HydrophobicContact SD-CD2 4.49Å; H322-F380 WeakPolarHBondContact O-CA 3.05Å; H322-F380 WeakPolarHBondContact O-CB 3.2Å; V323-F380 HydrophobicContact CG1-CB 3.87Å; V333-F380 HydrophobicContact CB-CD1 4.34Å; V333-F380 HydrophobicContact CB-CE1 4.37Å; V333-F380 HydrophobicContact CG1-CD1 3.49Å; V333-F380 VanDerWaalsContact CG1-CD1 3.49Å; V333-F380 HydrophobicContact CG1-CE1 3.81Å; V333-F380 HydrophobicContact CG1-CG 4.24Å; V333-F380 HydrophobicContact CG2-CD1 4Å; V333-F380 HydrophobicContact CG2-CE1 4.08Å; F336-F380 HydrophobicContact CD1-CE1 4.23Å; F336-F380 AromaticContact CD1-CE2 3.57Å; F336-F380 HydrophobicContact CD1-CE2 3.57Å; F336-F380 AromaticContact CD1-CZ 3.24Å; F336-F380 HydrophobicContact CD1-CZ 3.24Å; F336-F380 AromaticContact CE1-CE2 3.39Å; F336-F380 HydrophobicContact CE1-CE2 3.39Å; F336-F380 AromaticContact CE1-CZ 3.49Å; F336-F380 HydrophobicContact CE1-CZ 3.49Å; F336-F380 VanDerWaalsContact CE1-CZ 3.49Å; F336-F380 AromaticContact CG-CZ 3.93Å; F336-F380 HydrophobicContact CG-CZ 3.93Å; F336-F380 HydrophobicContact CZ-CE2 4.34Å; F336-F380 HydrophobicContact CZ-CZ 4.34Å; F380-I382 HydrophobicContact CD2-CG1 4.44Å; F380-I382 HydrophobicContact CE2-CG1 4.45Å
381T97.2Very high92.9Very high0 Ų047.1 Ų47.10%022%0.219CC..EExtended strand (participates in β ladder)trans-109.6130.2178.4-62.50000110.3C308 D310 H322 W367 H369C308-T381 HydrophobicContact CB-CG2 4.33Å; C308-T381 WeakPolarHBondContact CB-OG1 3.37Å; C308-T381 CarbonylContact O-C 3.34Å; C308-T381 VanDerWaalsContact O-CA 3.24Å; C308-T381 WeakPolarHBondContact O-CA 3.26Å; D310-T381 HydrophobicContact CB-CG2 3.74Å; H322-T381 PolarHBondContact N-O 3.41Å; H322-T381 PolarHBondContact O-N 3.43Å; W367-T381 HydrophobicContact CD2-CG2 4.45Å; W367-T381 HydrophobicContact CE3-CG2 3.9Å; W367-T381 HydrophobicContact CZ3-CG2 4.38Å; H369-T381 WeakPolarHBondContact ND1-CB 3.05Å; H369-T381 PolarHBondContact ND1-OG1 2.84Å
382I97Very high92.7Very high0 Ų048.6 Ų48.60%023%0.226CC..EExtended strand (participates in β ladder)trans-94.7123.9165.6-63.1-177.2000107.7L307 C308 L309 D310 I312 L319 Y320 F336 L340 F380 V415L307-I382 HydrophobicContact CD1-CB 4.38Å; L307-I382 HydrophobicContact CD1-CD1 3.45Å; L307-I382 VanDerWaalsContact CD1-CD1 3.45Å; L307-I382 HydrophobicContact CD1-CG1 3.65Å; C308-I382 PolarHBondContact O-N 3.33Å; L309-I382 HydrophobicContact CD2-CB 4.35Å; D310-I382 PolarHBondContact N-O 2.94Å; I312-I382 HydrophobicContact CD1-CG2 4.1Å; L319-I382 HydrophobicContact CD1-CG2 3.63Å; L319-I382 HydrophobicContact CD2-CG2 3.73Å; L319-I382 HydrophobicContact CG-CG2 3.71Å; Y320-I382 WeakPolarHBondContact O-CA 3.45Å; F336-I382 HydrophobicContact CE1-CD1 4.22Å; F336-I382 HydrophobicContact CZ-CD1 4.42Å; L340-I382 HydrophobicContact CD1-CD1 4.3Å; L340-I382 HydrophobicContact CD2-CD1 3.68Å; L340-I382 HydrophobicContact CD2-CG1 4.4Å; F380-I382 HydrophobicContact CD2-CG1 4.44Å; F380-I382 HydrophobicContact CE2-CG1 4.45Å; I382-V415 HydrophobicContact CD1-CG1 4.21Å; I382-V415 HydrophobicContact CD1-CG2 4.12Å; I382-V415 HydrophobicContact CG2-CG2 4.06Å
383S96.3Very high92.5Very high0 Ų049 Ų490%023%0.227CC..EExtended strand (participates in β ladder)trans-142.4151.6179-1710000113D310 Y320 F385D310-S383 WeakPolarHBondContact O-CA 3.48Å; D310-S383 WeakPolarHBondContact O-CB 3.21Å; D310-S383 PolarHBondContact O-OG 3.24Å; Y320-S383 WeakPolarHBondContact CA-O 3.26Å; Y320-S383 WeakPolarHBondContact CB-O 3.09Å; Y320-S383 PolarHBondContact N-O 3.16Å; Y320-S383 PolarHBondContact O-N 3.25Å; S383-F385 VanDerWaalsContact C-N 3.32Å; S383-F385 PolarHBondContact OG-N 2.96Å; S383-F385 VanDerWaalsContact OG-N 3.16Å
384G95Very high92.3Very high0 Ų049.7 Ų49.70%023%0.23CC..SBendtrans-73.8-23167.100000112.8S311 G314 G315 Y320S311-G384 WeakPolarHBondContact O-CA 3.27Å; S311-G384 PolarHBondContact O-N 3.33Å; G314-G384 CarbonylContact C-O 3.4Å; G314-G384 VanDerWaalsContact C-O 3.26Å; G314-G384 CarbonylContact O-C 3.55Å; G314-G384 WeakPolarHBondContact O-CA 3.25Å; G315-G384 WeakPolarHBondContact CA-O 3.29Å; Y320-G384 WeakPolarHBondContact CD2-O 3.38Å; Y320-G384 WeakPolarHBondContact CE2-O 3.41Å
385F94.2Very high92.4Very high11 Ų1146.3 Ų46.35%0.04821%0.213CC..  trans-86.9135.5177.9-67.4-71.2000112.2D236 H322 W367 S383 D390 M392 R393D236-F385 WeakPolarHBondContact OD2-CE2 3.31Å; H322-F385 PolarHBondContact CE1-O 3.48Å; H322-F385 PolarHBondContact NE2-O 2.92Å; W367-F385 HydrophobicContact CH2-CB 4.31Å; S383-F385 VanDerWaalsContact C-N 3.32Å; S383-F385 PolarHBondContact OG-N 2.96Å; S383-F385 VanDerWaalsContact OG-N 3.16Å; F385-D390 HydrophobicContact CD1-CB 3.8Å; F385-D390 VanDerWaalsContact CD1-OD2 3.3Å; F385-D390 WeakPolarHBondContact CD1-OD2 3.28Å; F385-D390 HydrophobicContact CE1-CB 4.2Å; F385-D390 HydrophobicContact CG-CB 4.26Å; F385-M392 HydrophobicContact CE1-CB 4.07Å; F385-M392 HydrophobicContact CZ-CB 3.83Å; F385-R393 HydrophobicContact CD2-CG 3.55Å; F385-R393 HydrophobicContact CE2-CG 3.64Å; F385-R393 HydrophobicContact CG-CG 4.18Å; F385-R393 HydrophobicContact CZ-CG 4.34Å
386Q93.4Very high92.5Very high122 Ų12240.4 Ų40.457%0.5719%0.191SC*.SBendtrans-74.2-30173.5-167.5-177.417.500112.2Y320 H322 V354Y320-Q386 HydrophobicContact CD1-CB 4.21Å; Y320-Q386 HydrophobicContact CD1-CG 4.04Å; Y320-Q386 HydrophobicContact CD2-CB 4.25Å; Y320-Q386 HydrophobicContact CE1-CB 3.91Å; Y320-Q386 HydrophobicContact CE1-CG 3.79Å; Y320-Q386 HydrophobicContact CE2-CB 3.94Å; Y320-Q386 HydrophobicContact CG-CB 4.38Å; H322-Q386 PolarHBondContact CE1-O 3.14Å; H322-Q386 VanDerWaalsContact CE1-O 3.3Å; V354-Q386 HydrophobicContact CG2-CG 4.15Å
387S92.2Very high92.7Very high50 Ų5029.3 Ų29.335%0.3515%0.149SC..  trans-121.9138-177.7-179.50000111.1H389 D390S387-H389 PolarHBondContact O-N 3.18Å; S387-H389 PolarHBondContact OG-N 3.02Å; S387-D390 PolarHBondContact O-N 2.75Å
388P90.4Very high92.7Very high12 Ų1229.2 Ų29.28%0.07815%0.149CC..THydrogen-bonded Turntrans-68.1-19.8172.230.9-37.1000112.1S366 W367 D390 R393S366-P388 VanDerWaalsContact O-CB 3.23Å; S366-P388 WeakPolarHBondContact O-CB 3.46Å; W367-P388 HydrophobicContact CD2-CB 4.17Å; W367-P388 HydrophobicContact CH2-CB 4.44Å; W367-P388 HydrophobicContact CZ2-CB 3.88Å; W367-P388 HydrophobicContact CZ2-CG 4.42Å; P388-D390 VanDerWaalsContact C-N 3.26Å; P388-D390 PolarHBondContact O-N 2.91Å; P388-R393 PolarHBondContact O-NH1 2.95Å
389H89.6Confident92.5Very high120 Ų12026.7 Ų26.756%0.55614%0.139SC*.THydrogen-bonded Turntrans-89.211.8-177-55.1-65.6000113.2S387S387-H389 PolarHBondContact O-N 3.18Å; S387-H389 PolarHBondContact OG-N 3.02Å
390D90.9Very high92.1Very high47 Ų4728.5 Ų28.525%0.25114%0.144SC..  trans-61.7126177.2-166.1-56.9000110.7F385 S387 P388 M392 R393F385-D390 HydrophobicContact CD1-CB 3.8Å; F385-D390 VanDerWaalsContact CD1-OD2 3.3Å; F385-D390 WeakPolarHBondContact CD1-OD2 3.28Å; F385-D390 HydrophobicContact CE1-CB 4.2Å; F385-D390 HydrophobicContact CG-CB 4.26Å; S387-D390 PolarHBondContact O-N 2.75Å; P388-D390 VanDerWaalsContact C-N 3.26Å; P388-D390 PolarHBondContact O-N 2.91Å; D390-M392 PolarHBondContact O-N 3.38Å; D390-M392 VanDerWaalsContact OD1-CB 3.31Å; D390-M392 WeakPolarHBondContact OD1-CB 3.45Å; D390-M392 WeakPolarHBondContact OD1-CG 3.39Å; D390-M392 PolarHBondContact OD1-N 3.39Å; D390-R393 HydrophobicContact CB-CG 4.37Å; D390-R393 WeakPolarHBondContact O-CB 3.35Å; D390-R393 PolarHBondContact O-N 2.93Å
391P89.2Confident91.6Very high37 Ų3733.7 Ų33.724%0.2417%0.169CC..G310 helixtrans-56.8-31.6179.420.6-32.4000114.1L125 Q129 R393 H394L125-P391 HydrophobicContact CB-CB 4.05Å; L125-P391 HydrophobicContact CD1-CB 4.25Å; L125-P391 HydrophobicContact CD1-CG 4.19Å; L125-P391 HydrophobicContact CD2-CB 4.14Å; L125-P391 HydrophobicContact CG-CB 4.36Å; Q129-P391 HydrophobicContact CG-CB 4.3Å; Q129-P391 VanDerWaalsContact NE2-CB 3.26Å; P391-R393 PolarHBondContact O-N 3.13Å; P391-H394 PolarHBondContact O-N 3.19Å; P391-H394 VanDerWaalsContact O-N 3.12Å
392M90Very high91Very high36 Ų3639.3 Ų39.318%0.17721%0.205CC..G310 helixtrans-63-27.6-177.9-63.9-81.474.300112.5R121 L125 S237 F385 D390 H394 L397R121-M392 PolarHBondContact NH2-SD 2.69Å; L125-M392 HydrophobicContact CD1-CE 3.3Å; L125-M392 HydrophobicContact CD1-SD 4.35Å; L125-M392 HydrophobicContact CD2-CE 3.09Å; L125-M392 HydrophobicContact CG-CE 3.71Å; S237-M392 PolarHBondContact OG-O 2.85Å; F385-M392 HydrophobicContact CE1-CB 4.07Å; F385-M392 HydrophobicContact CZ-CB 3.83Å; D390-M392 PolarHBondContact O-N 3.38Å; D390-M392 VanDerWaalsContact OD1-CB 3.31Å; D390-M392 WeakPolarHBondContact OD1-CB 3.45Å; D390-M392 WeakPolarHBondContact OD1-CG 3.39Å; D390-M392 PolarHBondContact OD1-N 3.39Å; M392-H394 PolarHBondContact O-N 3.14Å; M392-H394 VanDerWaalsContact O-N 3.13Å; M392-L397 HydrophobicContact CE-CB 4.08Å
393R90.9Very high90.5Very high9 Ų945.3 Ų45.33%0.03424%0.237CC..G310 helixtrans-65.1-13.6177.5-68.8-177.772.1-132.36113.9K276 D310 F385 P388 D390 P391K276-R393 WeakPolarHBondContact CE-O 3.42Å; K276-R393 PolarHBondContact NZ-O 3.13Å; D310-R393 IonicContact OD2-CZ 3.53Å; D310-R393 IonicContact OD2-NE 3.68Å; D310-R393 IonicContact OD2-NH2 2.7Å; D310-R393 PolarHBondContact OD2-NH2 2.82Å; F385-R393 HydrophobicContact CD2-CG 3.55Å; F385-R393 HydrophobicContact CE2-CG 3.64Å; F385-R393 HydrophobicContact CG-CG 4.18Å; F385-R393 HydrophobicContact CZ-CG 4.34Å; P388-R393 PolarHBondContact O-NH1 2.95Å; D390-R393 HydrophobicContact CB-CG 4.37Å; D390-R393 WeakPolarHBondContact O-CB 3.35Å; D390-R393 PolarHBondContact O-N 2.93Å; P391-R393 PolarHBondContact O-N 3.13Å
394H88.7Confident90.2Very high41 Ų4145.6 Ų45.619%0.1924%0.239CC..G310 helixtrans-133.629.2-172.9-61.1-76.4000112.7L225 P391 M392L225-H394 CarbonylContact O-C 3.58Å; L225-H394 WeakPolarHBondContact O-CA 3.34Å; P391-H394 PolarHBondContact O-N 3.19Å; P391-H394 VanDerWaalsContact O-N 3.12Å; M392-H394 PolarHBondContact O-N 3.14Å; M392-H394 VanDerWaalsContact O-N 3.13Å
395S92Very high90Very high2 Ų246.4 Ų46.41%0.01424%0.244CC..  trans-121145.4-170.4-175.50000113.7L125 E128 L225 L397 D398L125-S395 WeakPolarHBondContact CD2-OG 3.46Å; E128-S395 WeakPolarHBondContact OE2-CA 2.87Å; E128-S395 WeakPolarHBondContact OE2-CB 3.43Å; E128-S395 PolarHBondContact OE2-OG 3.38Å; L225-S395 PolarHBondContact O-N 3.38Å; S395-L397 PolarHBondContact O-N 3.18Å; S395-L397 VanDerWaalsContact OG-CB 3.28Å; S395-L397 WeakPolarHBondContact OG-CB 3.35Å; S395-L397 WeakPolarHBondContact OG-CG 3.44Å; S395-L397 PolarHBondContact OG-N 3.41Å; S395-D398 WeakPolarHBondContact O-CB 3.11Å; S395-D398 PolarHBondContact O-N 3.32Å
396I92.9Very high89.9Confident6 Ų651.1 Ų51.13%0.03127%0.266CS..THydrogen-bonded Turntrans-71.9-10.3165.166.7169.5000113.4I109 L113 F124 E128 L227 A232 D398I109-I396 HydrophobicContact CD1-CD1 3.92Å; L113-I396 HydrophobicContact CD1-CD1 3.7Å; L113-I396 HydrophobicContact CD1-CG1 3.98Å; F124-I396 HydrophobicContact CE1-CD1 4.14Å; F124-I396 HydrophobicContact CE1-CG1 3.89Å; F124-I396 HydrophobicContact CZ-CD1 3.84Å; F124-I396 HydrophobicContact CZ-CG1 4.12Å; E128-I396 PolarHBondContact OE1-N 2.89Å; L227-I396 HydrophobicContact CB-CD1 4.28Å; L227-I396 HydrophobicContact CB-CG2 4.26Å; A232-I396 HydrophobicContact CB-CG2 4.48Å; I396-D398 PolarHBondContact O-N 2.98Å
397L92.3Very high89.8Confident2 Ų248.3 Ų48.31%0.0126%0.258CS..THydrogen-bonded Turntrans-79.5-3.5175.5-61.4177000113.4L113 L116 R121 F124 L125 M392 S395 L399L113-L397 HydrophobicContact CB-CD2 3.81Å; L113-L397 HydrophobicContact CD1-CD2 4.17Å; L113-L397 HydrophobicContact CD2-CD2 4.01Å; L113-L397 HydrophobicContact CG-CD2 4.21Å; L116-L397 HydrophobicContact CD1-CD2 3.83Å; R121-L397 HydrophobicContact CG-CD1 3.78Å; R121-L397 PolarHBondContact NH2-O 2.78Å; R121-L397 VanDerWaalsContact NH2-O 3.11Å; F124-L397 HydrophobicContact CB-CD1 4.04Å; F124-L397 HydrophobicContact CD1-CD1 3.4Å; F124-L397 HydrophobicContact CD1-CD2 4.03Å; F124-L397 HydrophobicContact CD1-CG 3.69Å; F124-L397 HydrophobicContact CE1-CD1 4.19Å; F124-L397 HydrophobicContact CE1-CD2 4.18Å; F124-L397 HydrophobicContact CE1-CG 3.96Å; F124-L397 HydrophobicContact CG-CD1 3.95Å; F124-L397 HydrophobicContact CG-CD2 4.48Å; F124-L397 HydrophobicContact CG-CG 4.47Å; L125-L397 HydrophobicContact CD2-CD1 3.75Å; L125-L397 HydrophobicContact CG-CD1 3.83Å; M392-L397 HydrophobicContact CE-CB 4.08Å; S395-L397 PolarHBondContact O-N 3.18Å; S395-L397 VanDerWaalsContact OG-CB 3.28Å; S395-L397 WeakPolarHBondContact OG-CB 3.35Å; S395-L397 WeakPolarHBondContact OG-CG 3.44Å; S395-L397 PolarHBondContact OG-N 3.41Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.37Å
398D90.5Very high90Very high17 Ų1746 Ų469%0.09124%0.241CC..  trans-71.487.5169.1178.821.9000109.1G234 F235 D236 S237 S395 I396G234-D398 WeakPolarHBondContact CA-OD2 3.44Å; F235-D398 VanDerWaalsContact CD2-O 3.26Å; F235-D398 WeakPolarHBondContact CD2-O 3.35Å; F235-D398 PolarHBondContact N-OD2 2.79Å; D236-D398 PolarHBondContact N-OD1 3.34Å; D236-D398 PolarHBondContact N-OD2 2.6Å; S237-D398 WeakPolarHBondContact CA-OD2 3.29Å; S237-D398 WeakPolarHBondContact CB-OD2 3.24Å; S237-D398 PolarHBondContact N-OD2 3.09Å; S237-D398 PolarHBondContact OG-OD2 2.76Å; S395-D398 WeakPolarHBondContact O-CB 3.11Å; S395-D398 PolarHBondContact O-N 3.32Å; I396-D398 PolarHBondContact O-N 2.98Å
399L88.4Confident90.2Very high45 Ų4545.4 Ų45.424%0.23624%0.238CC..  trans-122.6142.2-177.8-59.6174.1000108.7L113 R114 F235 L397 Q401L113-L399 HydrophobicContact CB-CD1 3.94Å; R114-L399 HydrophobicContact CG-CB 4.41Å; R114-L399 HydrophobicContact CG-CD1 3.6Å; F235-L399 HydrophobicContact CE2-CD2 4.38Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.37Å; L399-Q401 PolarHBondContact O-N 2.84Å
400W87.2Confident90.3Very high41 Ų4141.6 Ų41.616%0.15522%0.224CC..  trans-61.6133.8178.3-173.4-110.3000111.8F235 L313 T405 L408 I444 Q448F235-W400 HydrophobicContact CD1-CB 4.33Å; F235-W400 HydrophobicContact CD2-CB 4.35Å; F235-W400 HydrophobicContact CE1-CB 4.32Å; F235-W400 HydrophobicContact CE2-CB 4.36Å; F235-W400 HydrophobicContact CG-CB 4.32Å; F235-W400 HydrophobicContact CZ-CB 4.32Å; L313-W400 HydrophobicContact CD2-CZ3 4.37Å; W400-T405 VanDerWaalsContact CZ2-OG1 3.23Å; W400-T405 WeakPolarHBondContact CZ2-OG1 3.27Å; W400-L408 HydrophobicContact CH2-CD2 4.21Å; W400-L408 HydrophobicContact CZ3-CD2 4.41Å; W400-I444 HydrophobicContact CH2-CG2 3.74Å; W400-I444 HydrophobicContact CZ2-CG2 4.24Å; W400-Q448 HydrophobicContact CB-CG 4.34Å; W400-Q448 HydrophobicContact CD2-CG 3.49Å; W400-Q448 VanDerWaalsContact CD2-CG 3.49Å; W400-Q448 HydrophobicContact CE3-CG 3.8Å; W400-Q448 HydrophobicContact CG-CG 3.75Å; W400-Q448 HydrophobicContact CH2-CG 4.29Å; W400-Q448 HydrophobicContact CZ2-CG 4Å; W400-Q448 HydrophobicContact CZ3-CG 4.2Å
401Q85.5Confident90.5Very high110 Ų11039.5 Ų39.551%0.51421%0.212SC..  trans-107.2143.1173.3-59.5-178.92.400109.8L399 N403 S404L399-Q401 PolarHBondContact O-N 2.84Å; Q401-N403 PolarHBondContact O-N 2.87Å; Q401-S404 WeakPolarHBondContact CB-OG 3.44Å; Q401-S404 PolarHBondContact N-OG 2.96Å; Q401-S404 WeakPolarHBondContact O-CB 3.35Å; Q401-S404 PolarHBondContact O-N 2.82Å; Q401-S404 PolarHBondContact O-OG 2.94Å
402P83.6Confident90.8Very high117 Ų11737.7 Ų37.776%0.7620%0.201SC*.THydrogen-bonded Turntrans-54.7-31.7-176-28.935.2000115.4S404P402-S404 VanDerWaalsContact C-N 3.33Å
403N86.6Confident91Very high126 Ų12636.9 Ų36.967%0.67420%0.197SC*.THydrogen-bonded Turntrans-88.92.5-178-62.5-9.8000113.6Q401 T405 E406Q401-N403 PolarHBondContact O-N 2.87Å; N403-T405 PolarHBondContact O-N 2.73Å; N403-E406 PolarHBondContact O-N 2.82Å
404S90Very high91.2Very high7 Ų736.5 Ų36.55%0.04920%0.195CC..Hα-helixtrans-65.2-38.5-174-56.30000112Q401 P402 E406 T407 L408Q401-S404 WeakPolarHBondContact CB-OG 3.44Å; Q401-S404 PolarHBondContact N-OG 2.96Å; Q401-S404 WeakPolarHBondContact O-CB 3.35Å; Q401-S404 PolarHBondContact O-N 2.82Å; Q401-S404 PolarHBondContact O-OG 2.94Å; P402-S404 VanDerWaalsContact C-N 3.33Å; S404-E406 VanDerWaalsContact C-N 3.34Å; S404-E406 PolarHBondContact O-N 2.86Å; S404-T407 PolarHBondContact O-N 2.94Å; S404-T407 PolarHBondContact O-OG1 3.35Å; S404-L408 VanDerWaalsContact O-CB 3.3Å; S404-L408 WeakPolarHBondContact O-CB 3.5Å; S404-L408 PolarHBondContact O-N 2.85Å
405T91.8Very high91.5Very high16 Ų1634.5 Ų34.510%0.09819%0.186CC..Hα-helixtrans-57.7-45.1-179.8-45.40000111.9W400 N403 T407 L408 V409 R441 I444W400-T405 VanDerWaalsContact CZ2-OG1 3.23Å; W400-T405 WeakPolarHBondContact CZ2-OG1 3.27Å; N403-T405 PolarHBondContact O-N 2.73Å; T405-T407 PolarHBondContact O-N 2.84Å; T405-L408 PolarHBondContact O-N 3.03Å; T405-V409 HydrophobicContact CG2-CG2 3.97Å; T405-V409 VanDerWaalsContact O-CG2 3.27Å; T405-V409 WeakPolarHBondContact O-CG2 3.32Å; T405-V409 PolarHBondContact O-N 2.62Å; T405-R441 HydrophobicContact CG2-CG 4.22Å; T405-I444 HydrophobicContact CG2-CG2 4.43Å
406E91.5Very high91.6Very high111 Ų11134.4 Ų34.452%0.51919%0.186SC..Hα-helixtrans-61.8-34.3-179.2-61.7-52.3140.700112.5N403 S404 P410 R441N403-E406 PolarHBondContact O-N 2.82Å; S404-E406 VanDerWaalsContact C-N 3.34Å; S404-E406 PolarHBondContact O-N 2.86Å; E406-P410 WeakPolarHBondContact O-CD 3.36Å; E406-R441 VanDerWaalsContact CD-NH1 3.28Å; E406-R441 IonicContact OE1-CZ 3.26Å; E406-R441 IonicContact OE1-NH1 3.87Å; E406-R441 PolarHBondContact OE1-NH1 2.9Å; E406-R441 IonicContact OE1-NH2 3.01Å; E406-R441 IonicContact OE2-CZ 2.78Å; E406-R441 IonicContact OE2-NH1 3.81Å; E406-R441 PolarHBondContact OE2-NH1 2.99Å; E406-R441 IonicContact OE2-NH2 2.78Å; E406-R441 PolarHBondContact OE2-NH2 2.8Å
407T92.4Very high91.6Very high63 Ų6334.2 Ų34.239%0.38718%0.184SC..Hα-helixtrans-81.6-27175.856.90000113.1L313 S404 T405 K411L313-T407 WeakPolarHBondContact CD1-OG1 3.28Å; S404-T407 PolarHBondContact O-N 2.94Å; S404-T407 PolarHBondContact O-OG1 3.35Å; T405-T407 PolarHBondContact O-N 2.84Å; T407-K411 WeakPolarHBondContact O-CG 3.49Å
408L94.6Very high91.6Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-80.8-39.3-175.1-169.756.2000112.4T240 I312 L313 W400 S404 T405 K411 F412 I444T240-L408 HydrophobicContact CG2-CD1 4.28Å; T240-L408 HydrophobicContact CG2-CD2 3.99Å; I312-L408 HydrophobicContact CB-CD1 4.16Å; I312-L408 HydrophobicContact CG2-CD1 3.99Å; L313-L408 HydrophobicContact CB-CD1 4.01Å; L313-L408 HydrophobicContact CD1-CB 4.26Å; W400-L408 HydrophobicContact CH2-CD2 4.21Å; W400-L408 HydrophobicContact CZ3-CD2 4.41Å; S404-L408 VanDerWaalsContact O-CB 3.3Å; S404-L408 WeakPolarHBondContact O-CB 3.5Å; S404-L408 PolarHBondContact O-N 2.85Å; T405-L408 PolarHBondContact O-N 3.03Å; L408-K411 WeakPolarHBondContact O-CB 3.43Å; L408-K411 PolarHBondContact O-N 3.49Å; L408-K411 VanDerWaalsContact O-N 3.16Å; L408-F412 HydrophobicContact CD1-CD1 3.66Å; L408-F412 HydrophobicContact CD1-CE1 3.29Å; L408-F412 HydrophobicContact CD1-CZ 4.08Å; L408-F412 HydrophobicContact CD2-CE1 4.01Å; L408-F412 HydrophobicContact CD2-CZ 3.93Å; L408-F412 HydrophobicContact CG-CD1 3.8Å; L408-F412 HydrophobicContact CG-CE1 3.55Å; L408-F412 HydrophobicContact CG-CG 4.45Å; L408-F412 HydrophobicContact CG-CZ 3.95Å; L408-F412 PolarHBondContact O-N 3.08Å; L408-I444 HydrophobicContact CD2-CD1 3.98Å; L408-I444 HydrophobicContact CD2-CG1 4.26Å; L408-I444 HydrophobicContact CD2-CG2 4.01Å; L408-I444 HydrophobicContact CG-CD1 4.13Å
409V94.5Very high91.8Very high1 Ų133.3 Ų33.31%0.00618%0.18CC..Hα-helixtrans-58.9-49.6-175.51670000112.7T405 K411 F412 L413 E437 I440 R441 I444T405-V409 HydrophobicContact CG2-CG2 3.97Å; T405-V409 VanDerWaalsContact O-CG2 3.27Å; T405-V409 WeakPolarHBondContact O-CG2 3.32Å; T405-V409 PolarHBondContact O-N 2.62Å; V409-K411 VanDerWaalsContact C-N 3.27Å; V409-K411 PolarHBondContact O-N 3.45Å; V409-F412 PolarHBondContact O-N 3.33Å; V409-L413 HydrophobicContact CG1-CD1 4.11Å; V409-L413 WeakPolarHBondContact O-CG 3.4Å; V409-L413 PolarHBondContact O-N 2.96Å; V409-E437 HydrophobicContact CG1-CG 3.36Å; V409-I440 HydrophobicContact CG2-CG2 4.43Å; V409-R441 HydrophobicContact CG2-CG 3.54Å; V409-I444 HydrophobicContact CG2-CD1 3.89Å
410P93.8Very high92Very high40 Ų4031.2 Ų31.226%0.2617%0.169SC..Hα-helixtrans-60.9-35176.1-24.234.7000113.2V349 E406 T414V349-P410 HydrophobicContact CG2-CB 3.8Å; E406-P410 WeakPolarHBondContact O-CD 3.36Å; P410-T414 WeakPolarHBondContact O-CB 3.17Å; P410-T414 PolarHBondContact O-N 2.73Å; P410-T414 PolarHBondContact O-OG1 3.4Å
411K95.1Very high92.2Very high2 Ų229.7 Ų29.71%0.00916%0.163CC..Hα-helixtrans-68.3-42.8176.2-64.4-174-177.6-167.30111.5I312 L313 G314 G316 S317 N318 L319 V349 T407 L408 V409 T414 V415I312-K411 HydrophobicContact CG2-CB 3.83Å; I312-K411 HydrophobicContact CG2-CD 4.14Å; I312-K411 WeakPolarHBondContact O-CD 3.37Å; I312-K411 PolarHBondContact O-NZ 2.8Å; L313-K411 PolarHBondContact O-NZ 3.08Å; G314-K411 PolarHBondContact O-NZ 3.34Å; G316-K411 WeakPolarHBondContact O-CE 3.45Å; G316-K411 PolarHBondContact O-NZ 3.29Å; S317-K411 WeakPolarHBondContact O-CE 3.43Å; N318-K411 WeakPolarHBondContact O-CE 3.35Å; N318-K411 PolarHBondContact O-NZ 2.8Å; L319-K411 HydrophobicContact CD1-CD 4.44Å; V349-K411 HydrophobicContact CG1-CG 4.1Å; V349-K411 HydrophobicContact CG2-CG 4.33Å; T407-K411 WeakPolarHBondContact O-CG 3.49Å; L408-K411 WeakPolarHBondContact O-CB 3.43Å; L408-K411 PolarHBondContact O-N 3.49Å; L408-K411 VanDerWaalsContact O-N 3.16Å; V409-K411 VanDerWaalsContact C-N 3.27Å; V409-K411 PolarHBondContact O-N 3.45Å; K411-T414 WeakPolarHBondContact O-CB 3.48Å; K411-T414 PolarHBondContact O-N 3.45Å; K411-V415 PolarHBondContact O-N 2.95Å; K411-V415 VanDerWaalsContact O-N 3.11Å
412F95.5Very high92.6Very high0 Ų025.3 Ų25.30%014%0.142CC..Hα-helixtrans-60.8-49.1175-86.429.3000110.8T240 I243 L244 I312 L408 V409 T414 V415 I416 I440 I444T240-F412 WeakPolarHBondContact O-CZ 3.24Å; I243-F412 HydrophobicContact CB-CE2 4.36Å; I243-F412 HydrophobicContact CB-CZ 4.22Å; I243-F412 HydrophobicContact CG2-CE2 3.83Å; I243-F412 HydrophobicContact CG2-CZ 4.16Å; L244-F412 HydrophobicContact CB-CD1 4.29Å; L244-F412 HydrophobicContact CB-CD2 4.47Å; L244-F412 HydrophobicContact CB-CE1 3.79Å; L244-F412 HydrophobicContact CB-CE2 4.03Å; L244-F412 HydrophobicContact CB-CZ 3.67Å; L244-F412 HydrophobicContact CD1-CB 4.17Å; L244-F412 HydrophobicContact CD1-CD1 4.06Å; L244-F412 HydrophobicContact CD1-CD2 3.94Å; L244-F412 HydrophobicContact CD1-CE1 4.41Å; L244-F412 HydrophobicContact CD1-CE2 4.34Å; L244-F412 HydrophobicContact CD1-CG 3.8Å; L244-F412 HydrophobicContact CD2-CD1 4.22Å; L244-F412 HydrophobicContact CD2-CE1 4.29Å; L244-F412 HydrophobicContact CG-CD1 4.43Å; L244-F412 HydrophobicContact CG-CE1 4.39Å; I312-F412 HydrophobicContact CB-CE1 4.15Å; I312-F412 HydrophobicContact CG1-CE1 4.43Å; I312-F412 HydrophobicContact CG2-CD1 4.03Å; I312-F412 HydrophobicContact CG2-CE1 4.01Å; L408-F412 HydrophobicContact CD1-CD1 3.66Å; L408-F412 HydrophobicContact CD1-CE1 3.29Å; L408-F412 HydrophobicContact CD1-CZ 4.08Å; L408-F412 HydrophobicContact CD2-CE1 4.01Å; L408-F412 HydrophobicContact CD2-CZ 3.93Å; L408-F412 HydrophobicContact CG-CD1 3.8Å; L408-F412 HydrophobicContact CG-CE1 3.55Å; L408-F412 HydrophobicContact CG-CG 4.45Å; L408-F412 HydrophobicContact CG-CZ 3.95Å; L408-F412 PolarHBondContact O-N 3.08Å; V409-F412 PolarHBondContact O-N 3.33Å; F412-T414 PolarHBondContact O-N 2.7Å; F412-V415 PolarHBondContact O-N 2.8Å; F412-I416 HydrophobicContact CB-CD1 4.39Å; F412-I416 WeakPolarHBondContact O-CB 3.5Å; F412-I416 WeakPolarHBondContact O-CD1 3.34Å; F412-I416 WeakPolarHBondContact O-CG1 3.33Å; F412-I416 PolarHBondContact O-N 2.89Å; F412-I440 HydrophobicContact CB-CG2 4.15Å; F412-I440 HydrophobicContact CD2-CG2 3.79Å; F412-I440 HydrophobicContact CG-CG2 4.42Å; F412-I444 HydrophobicContact CD2-CD1 3.87Å; F412-I444 HydrophobicContact CD2-CG1 4.12Å; F412-I444 HydrophobicContact CE2-CD1 3.87Å; F412-I444 HydrophobicContact CE2-CG1 3.68Å; F412-I444 HydrophobicContact CZ-CG1 4.39Å
413L94Very high93Very high19 Ų1920.3 Ų20.310%0.09911%0.109CC..Hα-helixtrans-56.2-40.7175.3-74.3172.5000111.7V409 S417 V435 E437 I440V409-L413 HydrophobicContact CG1-CD1 4.11Å; V409-L413 WeakPolarHBondContact O-CG 3.4Å; V409-L413 PolarHBondContact O-N 2.96Å; L413-S417 WeakPolarHBondContact O-CB 3.49Å; L413-S417 PolarHBondContact O-N 2.96Å; L413-S417 PolarHBondContact O-OG 2.72Å; L413-V435 HydrophobicContact CD2-CG1 3.7Å; L413-E437 HydrophobicContact CD1-CG 4.41Å; L413-I440 HydrophobicContact CD2-CD1 3.49Å; L413-I440 VanDerWaalsContact CD2-CD1 3.49Å; L413-I440 HydrophobicContact CG-CD1 4.02Å
414T94Very high93.2Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-59-48.5176.1-62.90000112.6L319 L340 S343 A344 P410 K411 F412 G418L319-T414 HydrophobicContact CD2-CG2 4.36Å; L340-T414 HydrophobicContact CD1-CG2 4.14Å; S343-T414 WeakPolarHBondContact CB-O 3.32Å; S343-T414 PolarHBondContact OG-O 2.96Å; S343-T414 VanDerWaalsContact OG-O 3.14Å; A344-T414 HydrophobicContact CB-CG2 3.7Å; P410-T414 WeakPolarHBondContact O-CB 3.17Å; P410-T414 PolarHBondContact O-N 2.73Å; P410-T414 PolarHBondContact O-OG1 3.4Å; K411-T414 WeakPolarHBondContact O-CB 3.48Å; K411-T414 PolarHBondContact O-N 3.45Å; F412-T414 PolarHBondContact O-N 2.7Å; T414-G418 PolarHBondContact O-N 3.16Å
415V95.2Very high93.1Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-70.2-44.2-179.6-1800000111.3L244 L307 L309 L319 I382 K411 F412 G418 L419L244-V415 HydrophobicContact CD2-CB 3.96Å; L244-V415 HydrophobicContact CD2-CG1 3.97Å; L244-V415 HydrophobicContact CD2-CG2 4.1Å; L307-V415 HydrophobicContact CD2-CG1 4.42Å; L309-V415 HydrophobicContact CD2-CG1 4.15Å; L319-V415 HydrophobicContact CD2-CG2 4.04Å; I382-V415 HydrophobicContact CD1-CG1 4.21Å; I382-V415 HydrophobicContact CD1-CG2 4.12Å; I382-V415 HydrophobicContact CG2-CG2 4.06Å; K411-V415 PolarHBondContact O-N 2.95Å; K411-V415 VanDerWaalsContact O-N 3.11Å; F412-V415 PolarHBondContact O-N 2.8Å; V415-G418 PolarHBondContact O-N 3.35Å; V415-L419 WeakPolarHBondContact O-CB 3.24Å; V415-L419 PolarHBondContact O-N 3.4Å
416I94.6Very high92.5Very high0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-60.1-56.8178.8-66.3165.1000109.7L244 E247 L248 I251 F412 G418 L419 F420 V435 I440L244-I416 HydrophobicContact CD1-CD1 4.17Å; L244-I416 HydrophobicContact CD1-CG1 3.96Å; E247-I416 HydrophobicContact CG-CD1 4.17Å; L248-I416 HydrophobicContact CD2-CB 4.25Å; L248-I416 HydrophobicContact CD2-CG1 3.64Å; L248-I416 HydrophobicContact CD2-CG2 4.46Å; L248-I416 HydrophobicContact CG-CG1 4.35Å; I251-I416 HydrophobicContact CD1-CD1 4.08Å; I251-I416 HydrophobicContact CD1-CG2 4.21Å; F412-I416 HydrophobicContact CB-CD1 4.39Å; F412-I416 WeakPolarHBondContact O-CB 3.5Å; F412-I416 WeakPolarHBondContact O-CD1 3.34Å; F412-I416 WeakPolarHBondContact O-CG1 3.33Å; F412-I416 PolarHBondContact O-N 2.89Å; I416-G418 VanDerWaalsContact C-N 3.32Å; I416-G418 PolarHBondContact O-N 2.64Å; I416-L419 PolarHBondContact O-N 3.44Å; I416-L419 VanDerWaalsContact O-N 3.13Å; I416-F420 HydrophobicContact CG2-CD2 3.63Å; I416-F420 HydrophobicContact CG2-CE2 3.63Å; I416-F420 WeakPolarHBondContact O-CD2 3.25Å; I416-F420 PolarHBondContact O-N 3.49Å; I416-V435 HydrophobicContact CG2-CG1 4.2Å; I416-V435 HydrophobicContact CG2-CG2 3.67Å; I416-I440 HydrophobicContact CD1-CD1 3.72Å; I416-I440 HydrophobicContact CD1-CG1 4.29Å
417S92.4Very high91.6Very high1 Ų127.2 Ų27.21%0.00714%0.136CC..Hα-helixtrans-61-38.3179.6-74.60000112.1S343 L413 L419 F420 R421 S431S343-S417 WeakPolarHBondContact OG-CB 3.26Å; L413-S417 WeakPolarHBondContact O-CB 3.49Å; L413-S417 PolarHBondContact O-N 2.96Å; L413-S417 PolarHBondContact O-OG 2.72Å; S417-L419 VanDerWaalsContact C-N 3.34Å; S417-L419 PolarHBondContact O-N 2.93Å; S417-F420 PolarHBondContact O-N 2.92Å; S417-R421 WeakPolarHBondContact O-CB 3.46Å; S417-R421 WeakPolarHBondContact O-CG 3.36Å; S417-R421 PolarHBondContact O-N 3.16Å; S417-S431 WeakPolarHBondContact OG-CB 3.26Å; S417-S431 PolarHBondContact OG-OG 2.73Å; S417-S431 VanDerWaalsContact OG-OG 3.09Å
418G93.3Very high90.3Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-58.7-43.6173.800000112.8S343 T414 V415 I416 Y422S343-G418 PolarHBondContact OG-N 3.29Å; T414-G418 PolarHBondContact O-N 3.16Å; V415-G418 PolarHBondContact O-N 3.35Å; I416-G418 VanDerWaalsContact C-N 3.32Å; I416-G418 PolarHBondContact O-N 2.64Å; G418-Y422 PolarHBondContact O-N 3.43Å; G418-Y422 VanDerWaalsContact O-N 3.13Å
419L94.1Very high88.8Confident0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-71.7-39.5177.9-170.762.5000112.9I218 L248 F252 F336 V415 I416 S417 Y422 I423I218-L419 HydrophobicContact CD1-CD2 3.71Å; I218-L419 HydrophobicContact CG1-CD2 4.4Å; L248-L419 HydrophobicContact CD1-CD2 4.5Å; L248-L419 HydrophobicContact CD2-CD2 4.11Å; F252-L419 HydrophobicContact CE2-CD2 3.69Å; F252-L419 HydrophobicContact CE2-CG 4.24Å; F252-L419 HydrophobicContact CZ-CD2 4.07Å; F252-L419 HydrophobicContact CZ-CG 4.11Å; F336-L419 HydrophobicContact CD2-CD1 4.4Å; F336-L419 HydrophobicContact CE2-CB 4.18Å; F336-L419 HydrophobicContact CE2-CD1 3.83Å; V415-L419 WeakPolarHBondContact O-CB 3.24Å; V415-L419 PolarHBondContact O-N 3.4Å; I416-L419 PolarHBondContact O-N 3.44Å; I416-L419 VanDerWaalsContact O-N 3.13Å; S417-L419 VanDerWaalsContact C-N 3.34Å; S417-L419 PolarHBondContact O-N 2.93Å; L419-Y422 WeakPolarHBondContact O-CB 3.41Å; L419-Y422 PolarHBondContact O-N 3.17Å; L419-I423 HydrophobicContact CD1-CD1 3.91Å; L419-I423 HydrophobicContact CD1-CG1 4.23Å; L419-I423 HydrophobicContact CD2-CD1 4.34Å; L419-I423 HydrophobicContact CG-CD1 3.74Å; L419-I423 HydrophobicContact CG-CG1 4.4Å; L419-I423 WeakPolarHBondContact O-CB 3.44Å; L419-I423 WeakPolarHBondContact O-CG1 3.15Å; L419-I423 PolarHBondContact O-N 3.2Å
420F92.1Very high87.4Confident2 Ų234.4 Ų34.41%0.00919%0.187CC..Hα-helixtrans-57.5-49.9172-95.6-83.8000112.3I251 F252 L255 I416 S417 Y422 I423 Y424 F434 V435I251-F420 HydrophobicContact CG2-CE2 3.66Å; I251-F420 HydrophobicContact CG2-CZ 3.46Å; I251-F420 VanDerWaalsContact CG2-CZ 3.46Å; F252-F420 HydrophobicContact CE1-CE1 4.5Å; F252-F420 HydrophobicContact CE1-CZ 4.5Å; F252-F420 HydrophobicContact CZ-CD2 4.24Å; F252-F420 HydrophobicContact CZ-CE2 4.26Å; L255-F420 HydrophobicContact CD1-CE1 3.29Å; L255-F420 HydrophobicContact CD1-CZ 3.41Å; L255-F420 VanDerWaalsContact CD1-CZ 3.41Å; I416-F420 HydrophobicContact CG2-CD2 3.63Å; I416-F420 HydrophobicContact CG2-CE2 3.63Å; I416-F420 WeakPolarHBondContact O-CD2 3.25Å; I416-F420 PolarHBondContact O-N 3.49Å; S417-F420 PolarHBondContact O-N 2.92Å; F420-Y422 PolarHBondContact O-N 2.87Å; F420-I423 PolarHBondContact O-N 3.31Å; F420-Y424 AromaticContact CD1-CD2 3.8Å; F420-Y424 HydrophobicContact CD1-CD2 3.8Å; F420-Y424 AromaticContact CD1-CE2 3.92Å; F420-Y424 HydrophobicContact CD1-CE2 3.92Å; F420-Y424 HydrophobicContact CE1-CD2 4.37Å; F420-Y424 HydrophobicContact CE1-CE2 4.06Å; F420-Y424 PolarHBondContact O-N 2.91Å; F420-F434 HydrophobicContact CE1-CD2 4.48Å; F420-F434 HydrophobicContact CZ-CB 4.32Å; F420-V435 HydrophobicContact CD2-CG2 4.33Å; F420-V435 HydrophobicContact CE2-CG2 3.71Å; F420-V435 HydrophobicContact CZ-CG2 4.19Å
421R91.5Very high86.1Confident9 Ų932.6 Ų32.63%0.03418%0.175CC..Hα-helixtrans-57-38.6176.7-73.5170.3-169.7-110.4-2.3111.5K339 E342 S417 N425 D428K339-R421 HydrophobicContact CB-CB 3.93Å; K339-R421 HydrophobicContact CD-CB 4.2Å; K339-R421 HydrophobicContact CG-CB 4.11Å; E342-R421 IonicContact OE2-NH1 3.3Å; E342-R421 PolarHBondContact OE2-NH1 2.93Å; S417-R421 WeakPolarHBondContact O-CB 3.46Å; S417-R421 WeakPolarHBondContact O-CG 3.36Å; S417-R421 PolarHBondContact O-N 3.16Å; R421-N425 WeakPolarHBondContact O-CA 3.13Å; R421-N425 PolarHBondContact O-N 3.47Å; R421-D428 IonicContact CZ-OD1 2.71Å; R421-D428 IonicContact NH1-OD1 3.01Å; R421-D428 PolarHBondContact NH1-OD1 3.13Å; R421-D428 IonicContact NH2-OD1 2.62Å; R421-D428 PolarHBondContact NH2-OD1 2.96Å
422Y93.4Very high85.1Confident18 Ų1837.5 Ų37.57%0.07120%0.201CC..Hα-helixtrans-68.8-50.2177.9-172.8-92.1000112.7I216 E304 F305 P332 R335 F336 G418 L419 F420I216-Y422 HydrophobicContact CD1-CD1 3.96Å; I216-Y422 HydrophobicContact CD1-CE1 3.94Å; E304-Y422 PolarHBondContact OE1-OH 2.9Å; F305-Y422 HydrophobicContact CE1-CD1 4.07Å; F305-Y422 AromaticContact CE1-CE1 3.47Å; F305-Y422 HydrophobicContact CE1-CE1 3.47Å; F305-Y422 VanDerWaalsContact CE1-CE1 3.47Å; F305-Y422 HydrophobicContact CE1-CE2 4.32Å; F305-Y422 AromaticContact CE1-CZ 3.61Å; F305-Y422 HydrophobicContact CZ-CD1 4.14Å; F305-Y422 HydrophobicContact CZ-CE1 4.02Å; P332-Y422 WeakPolarHBondContact CA-OH 3.17Å; P332-Y422 WeakPolarHBondContact CB-OH 3.36Å; P332-Y422 WeakPolarHBondContact O-CE2 3.35Å; R335-Y422 HydrophobicContact CB-CD2 4.45Å; R335-Y422 HydrophobicContact CB-CE2 3.82Å; R335-Y422 PolarHBondContact NH2-OH 3.41Å; F336-Y422 HydrophobicContact CB-CD2 3.69Å; F336-Y422 HydrophobicContact CB-CE2 3.88Å; F336-Y422 HydrophobicContact CB-CG 4.34Å; F336-Y422 HydrophobicContact CD2-CD2 4.11Å; F336-Y422 AromaticContact CD2-CG 3.94Å; F336-Y422 HydrophobicContact CD2-CG 3.94Å; F336-Y422 HydrophobicContact CG-CD2 4.41Å; G418-Y422 PolarHBondContact O-N 3.43Å; G418-Y422 VanDerWaalsContact O-N 3.13Å; L419-Y422 WeakPolarHBondContact O-CB 3.41Å; L419-Y422 PolarHBondContact O-N 3.17Å; F420-Y422 PolarHBondContact O-N 2.87Å
423I92.9Very high83.9Confident12 Ų1241.1 Ų41.16%0.06223%0.232CC..Hα-helixtrans-70.1-43.7-173-71.2173.9000111.7I216 F252 A263 Y265 L267 L419 F420I216-I423 HydrophobicContact CD1-CD1 4.29Å; I216-I423 HydrophobicContact CD1-CG1 3.86Å; F252-I423 HydrophobicContact CE1-CD1 3.69Å; F252-I423 HydrophobicContact CE2-CD1 4.45Å; F252-I423 HydrophobicContact CZ-CD1 3.63Å; A263-I423 HydrophobicContact CB-CG2 3.3Å; Y265-I423 HydrophobicContact CD2-CG1 4.49Å; Y265-I423 HydrophobicContact CD2-CG2 4.2Å; L267-I423 HydrophobicContact CD1-CD1 4.29Å; L267-I423 HydrophobicContact CD2-CD1 3.85Å; L419-I423 HydrophobicContact CD1-CD1 3.91Å; L419-I423 HydrophobicContact CD1-CG1 4.23Å; L419-I423 HydrophobicContact CD2-CD1 4.34Å; L419-I423 HydrophobicContact CG-CD1 3.74Å; L419-I423 HydrophobicContact CG-CG1 4.4Å; L419-I423 WeakPolarHBondContact O-CB 3.44Å; L419-I423 WeakPolarHBondContact O-CG1 3.15Å; L419-I423 PolarHBondContact O-N 3.2Å; F420-I423 PolarHBondContact O-N 3.31Å
424Y89.9Confident83.2Confident71 Ų7145.5 Ų45.528%0.27825%0.25SS..Hα-helixtrans-99.5-6.2-175-67.9-78.5000113.9F252 L255 T261 A263 F420 C426F252-Y424 HydrophobicContact CE1-CE2 4.06Å; L255-Y424 HydrophobicContact CD1-CE2 4.3Å; T261-Y424 WeakPolarHBondContact O-CE1 3.49Å; T261-Y424 VanDerWaalsContact O-CZ 3.3Å; T261-Y424 PolarHBondContact O-OH 3.35Å; A263-Y424 HydrophobicContact CB-CE1 3.9Å; F420-Y424 AromaticContact CD1-CD2 3.8Å; F420-Y424 HydrophobicContact CD1-CD2 3.8Å; F420-Y424 AromaticContact CD1-CE2 3.92Å; F420-Y424 HydrophobicContact CD1-CE2 3.92Å; F420-Y424 HydrophobicContact CE1-CD2 4.37Å; F420-Y424 HydrophobicContact CE1-CE2 4.06Å; F420-Y424 PolarHBondContact O-N 2.91Å; Y424-C426 PolarHBondContact O-N 3.38Å
425N87.7Confident82.6Confident132 Ų13246.1 Ų46.171%0.70625%0.254SS*.  trans50.935.9-173-166.838.8000112.8R421R421-N425 WeakPolarHBondContact O-CA 3.13Å; R421-N425 PolarHBondContact O-N 3.47Å
426C80Confident82.2Confident19 Ų1949.1 Ų49.113%0.12828%0.275CS..  trans-93.5153.9-176.359.10000112.3Y424 C430Y424-C426 PolarHBondContact O-N 3.38Å; C426-C430 HydrophobicContact CB-CB 3.47Å; C426-C430 VanDerWaalsContact CB-CB 3.47Å; C426-C430 WeakPolarHBondContact CB-SG 3.31Å; C426-C430 VanDerWaalsContact SG-CB 3.5Å
427K72.9Confident82Confident182 Ų18253.3 Ų53.379%0.79129%0.294SS*.  trans-84.4174.1166.6-66-178.2178.3-178.70110.5A429 C430K427-A429 PolarHBondContact O-N 2.93Å; K427-C430 PolarHBondContact O-N 3.26Å; K427-C430 VanDerWaalsContact O-N 3.15Å
428D64.1Low82Confident76 Ų7659.3 Ų59.341%0.40633%0.326SS..THydrogen-bonded Turntrans-44.2-36-168.4-48.4-25.1000115.9R421 C430 S431R421-D428 IonicContact CZ-OD1 2.71Å; R421-D428 IonicContact NH1-OD1 3.01Å; R421-D428 PolarHBondContact NH1-OD1 3.13Å; R421-D428 IonicContact NH2-OD1 2.62Å; R421-D428 PolarHBondContact NH2-OD1 2.96Å; D428-C430 PolarHBondContact O-N 3.27Å; D428-C430 VanDerWaalsContact O-N 3.15Å; D428-S431 PolarHBondContact O-OG 3.47Å
429A62.9Low81.9Confident82 Ų8260.7 Ų60.768%0.67834%0.336SS*.Hα-helixtrans-60.9-26.6-17600000114.2K427K427-A429 PolarHBondContact O-N 2.93Å
430C66.1Low81.9Confident57 Ų5760.8 Ų60.839%0.38534%0.337SS..Hα-helixtrans-77.9-35.2-173.6-67.50000113.4C426 K427 D428 F434C426-C430 HydrophobicContact CB-CB 3.47Å; C426-C430 VanDerWaalsContact CB-CB 3.47Å; C426-C430 WeakPolarHBondContact CB-SG 3.31Å; C426-C430 VanDerWaalsContact SG-CB 3.5Å; K427-C430 PolarHBondContact O-N 3.26Å; K427-C430 VanDerWaalsContact O-N 3.15Å; D428-C430 PolarHBondContact O-N 3.27Å; D428-C430 VanDerWaalsContact O-N 3.15Å; C430-F434 VanDerWaalsContact O-CD2 3.26Å; C430-F434 WeakPolarHBondContact O-CD2 3.36Å
431S67.2Low82Confident2 Ų262.9 Ų62.91%0.01434%0.344CS..Hα-helixtrans-69.6-41.5179.555.50000111.6S417 D428 A433 F434 V435S417-S431 WeakPolarHBondContact OG-CB 3.26Å; S417-S431 PolarHBondContact OG-OG 2.73Å; S417-S431 VanDerWaalsContact OG-OG 3.09Å; D428-S431 PolarHBondContact O-OG 3.47Å; S431-A433 PolarHBondContact O-N 2.76Å; S431-F434 PolarHBondContact O-N 3.13Å; S431-F434 VanDerWaalsContact O-N 3.13Å; S431-V435 WeakPolarHBondContact O-CB 3.42Å; S431-V435 WeakPolarHBondContact O-CG2 3.21Å; S431-V435 PolarHBondContact O-N 2.81Å
432N72.3Confident82.1Confident105 Ų10565.2 Ų65.256%0.56137%0.366SS*.Hα-helixtrans-67.5-21.1-175-61.90.5000112.6
433A72Confident82.1Confident77 Ų7765.2 Ų65.264%0.63637%0.366SS*.Hα-helixtrans-74.7-27.5176.600000113.3S431S431-A433 PolarHBondContact O-N 2.76Å
434F78.6Confident82.2Confident111 Ų11164.7 Ų64.749%0.48736%0.364SS..Hα-helixtrans-111.9-19.2-174.9-63.8-71000113.8L255 T261 F420 C430 S431L255-F434 HydrophobicContact CD2-CD1 3.68Å; L255-F434 HydrophobicContact CD2-CD2 4.23Å; L255-F434 HydrophobicContact CD2-CE1 3.69Å; L255-F434 HydrophobicContact CD2-CE2 4.27Å; L255-F434 HydrophobicContact CD2-CG 3.97Å; L255-F434 HydrophobicContact CD2-CZ 4Å; T261-F434 HydrophobicContact CG2-CZ 4.49Å; F420-F434 HydrophobicContact CE1-CD2 4.48Å; F420-F434 HydrophobicContact CZ-CB 4.32Å; C430-F434 VanDerWaalsContact O-CD2 3.26Å; C430-F434 WeakPolarHBondContact O-CD2 3.36Å; S431-F434 PolarHBondContact O-N 3.13Å; S431-F434 VanDerWaalsContact O-N 3.13Å
435V82.3Confident82.4Confident13 Ų1364.7 Ų64.78%0.07937%0.369CS..  trans-112.7110.8-175-173.80000108.3I251 L413 I416 F420 S431 I440I251-V435 HydrophobicContact CD1-CG2 4.38Å; L413-V435 HydrophobicContact CD2-CG1 3.7Å; I416-V435 HydrophobicContact CG2-CG1 4.2Å; I416-V435 HydrophobicContact CG2-CG2 3.67Å; F420-V435 HydrophobicContact CD2-CG2 4.33Å; F420-V435 HydrophobicContact CE2-CG2 3.71Å; F420-V435 HydrophobicContact CZ-CG2 4.19Å; S431-V435 WeakPolarHBondContact O-CB 3.42Å; S431-V435 WeakPolarHBondContact O-CG2 3.21Å; S431-V435 PolarHBondContact O-N 2.81Å; V435-I440 HydrophobicContact CG1-CD1 3.5Å; V435-I440 VanDerWaalsContact CG1-CD1 3.5Å; V435-I440 HydrophobicContact CG1-CG1 4.35Å
436S86.5Confident82.7Confident63 Ų6363.4 Ų63.444%0.44136%0.361SS..  trans-100.5134.3171.661.90000110.7D438 S439 I440S436-D438 VanDerWaalsContact C-N 3.29Å; S436-D438 PolarHBondContact O-N 2.95Å; S436-S439 PolarHBondContact O-N 3.21Å; S436-S439 VanDerWaalsContact O-N 3.16Å; S436-S439 WeakPolarHBondContact OG-CB 3.45Å; S436-S439 PolarHBondContact OG-N 2.86Å; S436-I440 PolarHBondContact O-N 2.98Å
437E90.3Very high83.4Confident87 Ų8763.1 Ų63.141%0.40736%0.357SS..Hα-helixtrans-59.1-42.5178.5-165.4-178.2145.200111.5V409 L413 S439 I440 R441V409-E437 HydrophobicContact CG1-CG 3.36Å; L413-E437 HydrophobicContact CD1-CG 4.41Å; E437-S439 VanDerWaalsContact C-N 3.27Å; E437-S439 PolarHBondContact O-N 3.47Å; E437-I440 WeakPolarHBondContact O-CB 3.32Å; E437-I440 PolarHBondContact O-N 2.92Å; E437-I440 VanDerWaalsContact O-N 3.1Å; E437-R441 WeakPolarHBondContact O-CG 3.49Å; E437-R441 PolarHBondContact O-N 3.1Å; E437-R441 IonicContact OE1-CZ 3.86Å; E437-R441 VanDerWaalsContact OE1-CZ 3.28Å; E437-R441 IonicContact OE1-NE 2.84Å; E437-R441 PolarHBondContact OE1-NE 2.92Å; E437-R441 IonicContact OE1-NH2 3.95Å; E437-R441 PolarHBondContact OE1-NH2 3.45Å
438D91.4Very high84.3Confident127 Ų12755.5 Ų55.568%0.67933%0.325SS*.Hα-helixtrans-60-36.8177.6-60.3-34.4000112.5S436 R441 A442S436-D438 VanDerWaalsContact C-N 3.29Å; S436-D438 PolarHBondContact O-N 2.95Å; D438-R441 PolarHBondContact O-N 2.88Å; D438-A442 WeakPolarHBondContact O-CB 3.5Å; D438-A442 PolarHBondContact O-N 3.2Å
439S91.4Very high85.7Confident30 Ų3057.9 Ų57.921%0.2133%0.333CS..Hα-helixtrans-71.7-33.9177.8-174.70000111.9R250 S436 E437 Q443R250-S439 VanDerWaalsContact CZ-OG 3.32Å; R250-S439 PolarHBondContact NH1-OG 2.72Å; R250-S439 VanDerWaalsContact NH1-OG 3.13Å; R250-S439 PolarHBondContact NH2-OG 2.93Å; S436-S439 PolarHBondContact O-N 3.21Å; S436-S439 VanDerWaalsContact O-N 3.16Å; S436-S439 WeakPolarHBondContact OG-CB 3.45Å; S436-S439 PolarHBondContact OG-N 2.86Å; E437-S439 VanDerWaalsContact C-N 3.27Å; E437-S439 PolarHBondContact O-N 3.47Å; S439-Q443 WeakPolarHBondContact O-CB 3.32Å; S439-Q443 PolarHBondContact O-N 2.59Å
440I93.6Very high87.1Confident1 Ų156.9 Ų56.91%0.00531%0.312CS..Hα-helixtrans-67.7-46174.8-70.1169.1000109.6E247 V409 F412 L413 I416 V435 S436 E437 A442 Q443 I444E247-I440 HydrophobicContact CG-CG1 4.35Å; E247-I440 WeakPolarHBondContact OE1-CG1 3.3Å; V409-I440 HydrophobicContact CG2-CG2 4.43Å; F412-I440 HydrophobicContact CB-CG2 4.15Å; F412-I440 HydrophobicContact CD2-CG2 3.79Å; F412-I440 HydrophobicContact CG-CG2 4.42Å; L413-I440 HydrophobicContact CD2-CD1 3.49Å; L413-I440 VanDerWaalsContact CD2-CD1 3.49Å; L413-I440 HydrophobicContact CG-CD1 4.02Å; I416-I440 HydrophobicContact CD1-CD1 3.72Å; I416-I440 HydrophobicContact CD1-CG1 4.29Å; V435-I440 HydrophobicContact CG1-CD1 3.5Å; V435-I440 VanDerWaalsContact CG1-CD1 3.5Å; V435-I440 HydrophobicContact CG1-CG1 4.35Å; S436-I440 PolarHBondContact O-N 2.98Å; E437-I440 WeakPolarHBondContact O-CB 3.32Å; E437-I440 PolarHBondContact O-N 2.92Å; E437-I440 VanDerWaalsContact O-N 3.1Å; I440-A442 PolarHBondContact O-N 2.96Å; I440-Q443 PolarHBondContact O-N 2.81Å; I440-I444 HydrophobicContact CG2-CD1 3.66Å; I440-I444 HydrophobicContact CG2-CG1 4.3Å; I440-I444 WeakPolarHBondContact O-CG1 3.05Å; I440-I444 PolarHBondContact O-N 2.67Å
441R95Very high88.4Confident46 Ų4654.2 Ų54.217%0.17429%0.294CS..Hα-helixtrans-56.6-51.6177.3-74.7172.6179-86.44.1111.3T405 E406 V409 E437 D438 Q443 I444 D445T405-R441 HydrophobicContact CG2-CG 4.22Å; E406-R441 VanDerWaalsContact CD-NH1 3.28Å; E406-R441 IonicContact OE1-CZ 3.26Å; E406-R441 IonicContact OE1-NH1 3.87Å; E406-R441 PolarHBondContact OE1-NH1 2.9Å; E406-R441 IonicContact OE1-NH2 3.01Å; E406-R441 IonicContact OE2-CZ 2.78Å; E406-R441 IonicContact OE2-NH1 3.81Å; E406-R441 PolarHBondContact OE2-NH1 2.99Å; E406-R441 IonicContact OE2-NH2 2.78Å; E406-R441 PolarHBondContact OE2-NH2 2.8Å; V409-R441 HydrophobicContact CG2-CG 3.54Å; E437-R441 WeakPolarHBondContact O-CG 3.49Å; E437-R441 PolarHBondContact O-N 3.1Å; E437-R441 IonicContact OE1-CZ 3.86Å; E437-R441 VanDerWaalsContact OE1-CZ 3.28Å; E437-R441 IonicContact OE1-NE 2.84Å; E437-R441 PolarHBondContact OE1-NE 2.92Å; E437-R441 IonicContact OE1-NH2 3.95Å; E437-R441 PolarHBondContact OE1-NH2 3.45Å; D438-R441 PolarHBondContact O-N 2.88Å; R441-Q443 VanDerWaalsContact C-N 3.26Å; R441-Q443 PolarHBondContact O-N 2.97Å; R441-I444 PolarHBondContact O-N 2.95Å; R441-I444 VanDerWaalsContact O-N 3.11Å; R441-D445 VanDerWaalsContact O-CG 3.28Å; R441-D445 PolarHBondContact O-N 3.49Å
442A94.5Very high89.5Confident59 Ų5958.3 Ų58.349%0.48831%0.313SS..Hα-helixtrans-58.2-37.7177.700000113D438 I440 L446D438-A442 WeakPolarHBondContact O-CB 3.5Å; D438-A442 PolarHBondContact O-N 3.2Å; I440-A442 PolarHBondContact O-N 2.96Å; A442-L446 WeakPolarHBondContact O-CB 3.47Å; A442-L446 PolarHBondContact O-N 3.28Å; A442-L446 VanDerWaalsContact O-N 3.08Å
443Q92.8Very high90.5Very high17 Ų1759 Ų598%0.07932%0.316CS..Hα-helixtrans-69.8-40.6177.1-173.973.50.900112E247 S439 I440 R441 W447 F476E247-Q443 HydrophobicContact CB-CG 4.39Å; E247-Q443 WeakPolarHBondContact OE2-CG 3.23Å; S439-Q443 WeakPolarHBondContact O-CB 3.32Å; S439-Q443 PolarHBondContact O-N 2.59Å; I440-Q443 PolarHBondContact O-N 2.81Å; R441-Q443 VanDerWaalsContact C-N 3.26Å; R441-Q443 PolarHBondContact O-N 2.97Å; Q443-W447 PolarHBondContact O-N 3.02Å; Q443-F476 VanDerWaalsContact NE2-CZ 3.32Å
444I94.6Very high91.5Very high1 Ų157.6 Ų57.61%0.00530%0.296CS..Hα-helixtrans-60.3-50.9175.4-70.2165.1000109.4I243 W400 T405 L408 V409 F412 I440 R441 L446 W447 Q448I243-I444 HydrophobicContact CG2-CG1 4.13Å; W400-I444 HydrophobicContact CH2-CG2 3.74Å; W400-I444 HydrophobicContact CZ2-CG2 4.24Å; T405-I444 HydrophobicContact CG2-CG2 4.43Å; L408-I444 HydrophobicContact CD2-CD1 3.98Å; L408-I444 HydrophobicContact CD2-CG1 4.26Å; L408-I444 HydrophobicContact CD2-CG2 4.01Å; L408-I444 HydrophobicContact CG-CD1 4.13Å; V409-I444 HydrophobicContact CG2-CD1 3.89Å; F412-I444 HydrophobicContact CD2-CD1 3.87Å; F412-I444 HydrophobicContact CD2-CG1 4.12Å; F412-I444 HydrophobicContact CE2-CD1 3.87Å; F412-I444 HydrophobicContact CE2-CG1 3.68Å; F412-I444 HydrophobicContact CZ-CG1 4.39Å; I440-I444 HydrophobicContact CG2-CD1 3.66Å; I440-I444 HydrophobicContact CG2-CG1 4.3Å; I440-I444 WeakPolarHBondContact O-CG1 3.05Å; I440-I444 PolarHBondContact O-N 2.67Å; R441-I444 PolarHBondContact O-N 2.95Å; R441-I444 VanDerWaalsContact O-N 3.11Å; I444-L446 PolarHBondContact O-N 3.08Å; I444-W447 PolarHBondContact O-N 3.41Å; I444-Q448 WeakPolarHBondContact O-CB 3.36Å; I444-Q448 PolarHBondContact O-N 3.09Å
445D93.9Very high92.2Very high72 Ų7253.7 Ų53.739%0.38528%0.282SS..Hα-helixtrans-61.1-43.9-177.1-63.7-23000111.3R441 W447 Q448 E449R441-D445 VanDerWaalsContact O-CG 3.28Å; R441-D445 PolarHBondContact O-N 3.49Å; D445-W447 PolarHBondContact O-N 2.95Å; D445-Q448 PolarHBondContact O-N 3.12Å; D445-E449 WeakPolarHBondContact O-CB 2.98Å; D445-E449 PolarHBondContact O-N 3.48Å
446L94.2Very high92.7Very high105 Ų10553 Ų5355%0.5528%0.278SS..Hα-helixtrans-57.2-52.5177.1-178.580.4000112.4A442 I444 Y450A442-L446 WeakPolarHBondContact O-CB 3.47Å; A442-L446 PolarHBondContact O-N 3.28Å; A442-L446 VanDerWaalsContact O-N 3.08Å; I444-L446 PolarHBondContact O-N 3.08Å; L446-Y450 WeakPolarHBondContact O-CB 3.39Å; L446-Y450 PolarHBondContact O-N 3Å; L446-Y450 VanDerWaalsContact O-N 3.14Å
447W94.8Very high93Very high12 Ų1250.1 Ų50.15%0.04526%0.258CS..Hα-helixtrans-75-30.5-177.6-78.2105.5000112.7I243 L246 Q443 I444 D445 Y450 F451 A472 L473 F476I243-W447 HydrophobicContact CD1-CB 3.69Å; I243-W447 HydrophobicContact CG1-CB 3.56Å; I243-W447 HydrophobicContact CG1-CG 4.16Å; I243-W447 HydrophobicContact CG2-CB 4.42Å; L246-W447 HydrophobicContact CD1-CD2 3.9Å; L246-W447 VanDerWaalsContact CD1-CE2 3.45Å; L246-W447 HydrophobicContact CD1-CE3 4.31Å; L246-W447 HydrophobicContact CD1-CH2 3.95Å; L246-W447 HydrophobicContact CD1-CZ2 3.5Å; L246-W447 VanDerWaalsContact CD1-CZ2 3.5Å; L246-W447 HydrophobicContact CD1-CZ3 4.33Å; Q443-W447 PolarHBondContact O-N 3.02Å; I444-W447 PolarHBondContact O-N 3.41Å; D445-W447 PolarHBondContact O-N 2.95Å; W447-Y450 HydrophobicContact CE3-CD1 4.15Å; W447-Y450 HydrophobicContact CZ3-CD1 4.06Å; W447-Y450 HydrophobicContact CZ3-CE1 4.44Å; W447-Y450 PolarHBondContact O-N 3.23Å; W447-F451 HydrophobicContact CE3-CD1 4.43Å; W447-F451 AromaticContact CE3-CE1 3.73Å; W447-F451 HydrophobicContact CE3-CE1 3.73Å; W447-F451 AromaticContact CE3-CZ 3.85Å; W447-F451 HydrophobicContact CE3-CZ 3.85Å; W447-F451 HydrophobicContact CZ3-CE1 4.12Å; W447-F451 HydrophobicContact CZ3-CZ 4.45Å; W447-F451 WeakPolarHBondContact O-CB 3.41Å; W447-F451 VanDerWaalsContact O-CG 3.26Å; W447-F451 WeakPolarHBondContact O-CG 3.39Å; W447-F451 PolarHBondContact O-N 2.96Å; W447-A472 HydrophobicContact CH2-CB 4.33Å; W447-A472 HydrophobicContact CZ3-CB 4.39Å; W447-L473 HydrophobicContact CH2-CD2 4Å; W447-L473 HydrophobicContact CZ3-CD2 3.93Å; W447-F476 HydrophobicContact CH2-CB 4.37Å; W447-F476 HydrophobicContact CZ2-CB 4.12Å; W447-F476 AromaticContact CZ2-CD2 3.57Å; W447-F476 HydrophobicContact CZ2-CD2 3.57Å; W447-F476 HydrophobicContact CZ2-CE2 4.09Å; W447-F476 AromaticContact CZ2-CG 3.88Å; W447-F476 HydrophobicContact CZ2-CG 3.88Å
448Q92.1Very high93.1Very high23 Ų2346.2 Ų46.211%0.10724%0.24CC..Hα-helixtrans-62-51.8174.5178.6-83.1-57.500110.4F235 W400 I444 D445 Y450 F451 E452F235-Q448 HydrophobicContact CD1-CG 4.39Å; F235-Q448 HydrophobicContact CE1-CG 4.39Å; W400-Q448 HydrophobicContact CB-CG 4.34Å; W400-Q448 HydrophobicContact CD2-CG 3.49Å; W400-Q448 VanDerWaalsContact CD2-CG 3.49Å; W400-Q448 HydrophobicContact CE3-CG 3.8Å; W400-Q448 HydrophobicContact CG-CG 3.75Å; W400-Q448 HydrophobicContact CH2-CG 4.29Å; W400-Q448 HydrophobicContact CZ2-CG 4Å; W400-Q448 HydrophobicContact CZ3-CG 4.2Å; I444-Q448 WeakPolarHBondContact O-CB 3.36Å; I444-Q448 PolarHBondContact O-N 3.09Å; D445-Q448 PolarHBondContact O-N 3.12Å; Q448-Y450 PolarHBondContact O-N 2.9Å; Q448-F451 PolarHBondContact O-N 2.96Å; Q448-E452 PolarHBondContact NE2-OE2 3.18Å; Q448-E452 PolarHBondContact O-N 3.31Å
449E92.5Very high93Very high125 Ų12540.7 Ų40.758%0.58421%0.21SC*.Hα-helixtrans-57.8-42.1176.1-174.2179.5-179.800110.5D445 E452 L453D445-E449 WeakPolarHBondContact O-CB 2.98Å; D445-E449 PolarHBondContact O-N 3.48Å; E449-E452 PolarHBondContact O-N 2.83Å; E449-L453 WeakPolarHBondContact O-CG 3Å; E449-L453 PolarHBondContact O-N 3.45Å
450Y94Very high93Very high61 Ų6141.9 Ų41.924%0.23922%0.216CC..Hα-helixtrans-65.2-42.1179.2-168.3-95.7000113.5L446 W447 Q448 E452 L453 H454 P468 V469 A472L446-Y450 WeakPolarHBondContact O-CB 3.39Å; L446-Y450 PolarHBondContact O-N 3Å; L446-Y450 VanDerWaalsContact O-N 3.14Å; W447-Y450 HydrophobicContact CE3-CD1 4.15Å; W447-Y450 HydrophobicContact CZ3-CD1 4.06Å; W447-Y450 HydrophobicContact CZ3-CE1 4.44Å; W447-Y450 PolarHBondContact O-N 3.23Å; Q448-Y450 PolarHBondContact O-N 2.9Å; Y450-E452 VanDerWaalsContact C-N 3.34Å; Y450-L453 PolarHBondContact O-N 2.9Å; Y450-H454 AromaticContact CE1-ND1 3.92Å; Y450-H454 AromaticContact CE2-CE1 3.65Å; Y450-H454 AromaticContact CE2-ND1 3.87Å; Y450-H454 AromaticContact CZ-CE1 3.81Å; Y450-H454 AromaticContact CZ-ND1 3.75Å; Y450-H454 PolarHBondContact O-N 3.33Å; Y450-H454 PolarHBondContact O-ND1 3.42Å; Y450-P468 PolarHBondContact OH-O 2.88Å; Y450-V469 HydrophobicContact CE1-CB 4.36Å; Y450-V469 HydrophobicContact CE1-CG2 3.93Å; Y450-A472 HydrophobicContact CE1-CB 3.9Å
451F93.6Very high92.8Very high1 Ų142 Ų420%0.00422%0.216CC..Hα-helixtrans-73.3-23.3177.3-69.9-16.7000113F233 F235 V242 I243 W447 Q448 L453 V469F233-F451 VanDerWaalsContact CD1-O 3.28Å; F233-F451 WeakPolarHBondContact CD1-O 3.01Å; F235-F451 HydrophobicContact CD1-CB 4.35Å; F235-F451 HydrophobicContact CE1-CB 4.33Å; V242-F451 HydrophobicContact CB-CE2 4.49Å; V242-F451 HydrophobicContact CB-CZ 4.48Å; V242-F451 HydrophobicContact CG1-CE2 4.41Å; V242-F451 HydrophobicContact CG1-CZ 3.95Å; I243-F451 HydrophobicContact CD1-CD2 4.34Å; I243-F451 HydrophobicContact CD1-CE2 4.24Å; I243-F451 HydrophobicContact CG1-CD2 4.46Å; I243-F451 HydrophobicContact CG1-CE2 3.88Å; W447-F451 HydrophobicContact CE3-CD1 4.43Å; W447-F451 AromaticContact CE3-CE1 3.73Å; W447-F451 HydrophobicContact CE3-CE1 3.73Å; W447-F451 AromaticContact CE3-CZ 3.85Å; W447-F451 HydrophobicContact CE3-CZ 3.85Å; W447-F451 HydrophobicContact CZ3-CE1 4.12Å; W447-F451 HydrophobicContact CZ3-CZ 4.45Å; W447-F451 WeakPolarHBondContact O-CB 3.41Å; W447-F451 VanDerWaalsContact O-CG 3.26Å; W447-F451 WeakPolarHBondContact O-CG 3.39Å; W447-F451 PolarHBondContact O-N 2.96Å; Q448-F451 PolarHBondContact O-N 2.96Å; F451-L453 VanDerWaalsContact C-N 3.28Å; F451-L453 PolarHBondContact O-N 3.26Å; F451-V469 HydrophobicContact CE1-CG1 4.11Å
452E90.3Very high92.3Very high89 Ų8940.7 Ų40.742%0.41621%0.213SC..Hα-helixtrans-67.7-31.1173.1-174160-170.800112.5F233 F235 Q448 E449 Y450F233-E452 VanDerWaalsContact CD1-O 3.29Å; F233-E452 WeakPolarHBondContact CD1-O 3.1Å; F233-E452 WeakPolarHBondContact CE1-O 3.2Å; F235-E452 HydrophobicContact CE1-CB 3.68Å; F235-E452 HydrophobicContact CE1-CG 4.43Å; F235-E452 VanDerWaalsContact CZ-CA 3.44Å; F235-E452 HydrophobicContact CZ-CB 3.51Å; F235-E452 HydrophobicContact CZ-CG 3.8Å; Q448-E452 PolarHBondContact NE2-OE2 3.18Å; Q448-E452 PolarHBondContact O-N 3.31Å; E449-E452 PolarHBondContact O-N 2.83Å; Y450-E452 VanDerWaalsContact C-N 3.34Å
453L91.8Very high91.9Very high118 Ų11840.3 Ų40.362%0.61820%0.203SC*.Hα-helixtrans-84.1-28-179.1-64.1173.9000113E449 Y450 F451E449-L453 WeakPolarHBondContact O-CG 3Å; E449-L453 PolarHBondContact O-N 3.45Å; Y450-L453 PolarHBondContact O-N 2.9Å; F451-L453 VanDerWaalsContact C-N 3.28Å; F451-L453 PolarHBondContact O-N 3.26Å
454H93.2Very high91.7Very high48 Ų4839.5 Ų39.522%0.22220%0.2CC..SBendtrans-123.3116.1-169.3-5694.4000112.7Y450 P468 V469Y450-H454 AromaticContact CE1-ND1 3.92Å; Y450-H454 AromaticContact CE2-CE1 3.65Å; Y450-H454 AromaticContact CE2-ND1 3.87Å; Y450-H454 AromaticContact CZ-CE1 3.81Å; Y450-H454 AromaticContact CZ-ND1 3.75Å; Y450-H454 PolarHBondContact O-N 3.33Å; Y450-H454 PolarHBondContact O-ND1 3.42Å; H454-P468 WeakPolarHBondContact CD2-CG 3.04Å; H454-V469 HydrophobicContact CB-CG2 3.21Å
455P92.9Very high91.4Very high29 Ų2942.7 Ų42.719%0.18822%0.215CC..  trans-67.7143.7177.229.4-35.2000111.2S230 F233 V460S230-P455 WeakPolarHBondContact O-CB 3.2Å; S230-P455 WeakPolarHBondContact O-CG 3.5Å; F233-P455 HydrophobicContact CD1-CB 4.36Å; F233-P455 HydrophobicContact CE1-CB 4.38Å; P455-V460 HydrophobicContact CG-CG1 4.38Å
456R93.2Very high91.2Very high0 Ų047.2 Ų47.20%023%0.231CC..  trans-120.421.1-172.6-65-171.6-64.1125.2-2.1113.9Y222 D223 T224 A232 F233 G234 L461 V469Y222-R456 PolarHBondContact O-NH1 2.77Å; D223-R456 WeakPolarHBondContact CA-O 3.14Å; T224-R456 HydrophobicContact CG2-CB 3.88Å; T224-R456 PolarHBondContact N-O 3.49Å; T224-R456 VanDerWaalsContact OG1-C 3.25Å; T224-R456 PolarHBondContact OG1-O 3.06Å; A232-R456 PolarHBondContact O-N 3.39Å; F233-R456 PolarHBondContact O-NE 3.36Å; F233-R456 VanDerWaalsContact O-NE 3.12Å; F233-R456 PolarHBondContact O-NH2 2.95Å; G234-R456 VanDerWaalsContact C-NH2 3.29Å; G234-R456 PolarHBondContact O-NH2 3.07Å; R456-L461 HydrophobicContact CB-CD1 4.15Å; R456-L461 WeakPolarHBondContact O-CD1 3.14Å; R456-V469 HydrophobicContact CG-CB 4.49Å; R456-V469 HydrophobicContact CG-CG1 3.98Å; R456-V469 HydrophobicContact CG-CG2 4.14Å
457S93Very high91.1Very high2 Ų242.6 Ų42.61%0.01421%0.208CC..BIsolated β-bridgetrans-65.1143174.9-171.90000111.1T224 P229 Q459 V460 L461T224-S457 VanDerWaalsContact O-CA 3.29Å; T224-S457 WeakPolarHBondContact O-CA 3.06Å; T224-S457 PolarHBondContact O-OG 2.92Å; T224-S457 PolarHBondContact OG1-N 3.18Å; P229-S457 WeakPolarHBondContact O-CB 3.47Å; S457-Q459 PolarHBondContact O-N 3.22Å; S457-V460 WeakPolarHBondContact O-CA 3.31Å; S457-V460 WeakPolarHBondContact O-CB 3.49Å; S457-V460 PolarHBondContact O-N 2.8Å; S457-L461 PolarHBondContact O-N 2.85Å
458Q91.5Very high91Very high5 Ų545.1 Ų45.12%0.02323%0.226CC..THydrogen-bonded Turntrans-56.2-25.7179.4-171.653.561.100113.4L197 D223 M277 V460 L461 V462 I500L197-Q458 HydrophobicContact CD2-CG 3.7Å; D223-Q458 HydrophobicContact CB-CB 4.11Å; M277-Q458 HydrophobicContact CG-CB 4.42Å; M277-Q458 HydrophobicContact CG-CG 4.29Å; Q458-V460 VanDerWaalsContact C-N 3.33Å; Q458-L461 PolarHBondContact NE2-O 3.45Å; Q458-L461 CarbonylContact O-C 3.56Å; Q458-L461 PolarHBondContact O-N 3.49Å; Q458-V462 PolarHBondContact O-N 3.27Å; Q458-I500 HydrophobicContact CG-CD1 3.63Å; Q458-I500 HydrophobicContact CG-CG1 4.49Å
459Q89.9Confident91Very high10 Ų1044.1 Ų44.15%0.04722%0.221CC..THydrogen-bonded Turntrans-76-18.4175.6-72.41646.200114.5P48 Q49 P229 S457 V462 I500 V504P48-Q459 VanDerWaalsContact CA-NE2 3.33Å; P48-Q459 VanDerWaalsContact CA-OE1 3.26Å; P48-Q459 VanDerWaalsContact CB-NE2 3.31Å; Q49-Q459 PolarHBondContact O-NE2 3.4Å; P229-Q459 HydrophobicContact CB-CB 4.18Å; P229-Q459 VanDerWaalsContact CB-OE1 3.31Å; S457-Q459 PolarHBondContact O-N 3.22Å; Q459-V462 WeakPolarHBondContact O-CG2 3.42Å; Q459-I500 HydrophobicContact CB-CG2 4.29Å; Q459-I500 HydrophobicContact CG-CG2 3.68Å; Q459-V504 HydrophobicContact CB-CG2 3.82Å
460V90.8Very high91.1Very high55 Ų5538.1 Ų38.133%0.33319%0.193SC..THydrogen-bonded Turntrans-88.7-39170.2-178.30000109.3P455 S457 Q458 V462P455-V460 HydrophobicContact CG-CG1 4.38Å; S457-V460 WeakPolarHBondContact O-CA 3.31Å; S457-V460 WeakPolarHBondContact O-CB 3.49Å; S457-V460 PolarHBondContact O-N 2.8Å; Q458-V460 VanDerWaalsContact C-N 3.33Å; V460-V462 PolarHBondContact O-N 3.16Å; V460-V462 VanDerWaalsContact O-N 3.12Å
461L90.4Very high91.1Very high3 Ų339 Ų392%0.01620%0.202CC..  trans-85.336.2-178.8-55.3-179.4000113.3Y222 R456 S457 Q458 D463 S467 V469Y222-L461 HydrophobicContact CD2-CD1 3.52Å; Y222-L461 HydrophobicContact CE2-CB 4.37Å; Y222-L461 HydrophobicContact CE2-CD1 3.52Å; R456-L461 HydrophobicContact CB-CD1 4.15Å; R456-L461 WeakPolarHBondContact O-CD1 3.14Å; S457-L461 PolarHBondContact O-N 2.85Å; Q458-L461 PolarHBondContact NE2-O 3.45Å; Q458-L461 CarbonylContact O-C 3.56Å; Q458-L461 PolarHBondContact O-N 3.49Å; L461-D463 VanDerWaalsContact C-N 3.29Å; L461-D463 PolarHBondContact O-N 3.09Å; L461-S467 WeakPolarHBondContact CD2-OG 3.43Å; L461-V469 HydrophobicContact CD2-CB 4.49Å
462V85.1Confident91.2Very high19 Ų1940.2 Ų40.212%0.11521%0.212CC..SBendtrans-62-39.1179.4165.90000111.9Y194 Q458 Q459 V460 I500Y194-V462 HydrophobicContact CD1-CG1 3.17Å; Y194-V462 HydrophobicContact CD2-CB 4.23Å; Y194-V462 HydrophobicContact CD2-CG1 3.44Å; Y194-V462 VanDerWaalsContact CD2-CG1 3.44Å; Y194-V462 HydrophobicContact CD2-CG2 3.71Å; Y194-V462 HydrophobicContact CE1-CG1 3.45Å; Y194-V462 VanDerWaalsContact CE1-CG1 3.45Å; Y194-V462 HydrophobicContact CE2-CB 4.38Å; Y194-V462 HydrophobicContact CE2-CG1 3.69Å; Y194-V462 HydrophobicContact CE2-CG2 4.01Å; Y194-V462 HydrophobicContact CG-CB 4.3Å; Y194-V462 HydrophobicContact CG-CG1 3.15Å; Y194-V462 HydrophobicContact CG-CG2 4.17Å; Q458-V462 PolarHBondContact O-N 3.27Å; Q459-V462 WeakPolarHBondContact O-CG2 3.42Å; V460-V462 PolarHBondContact O-N 3.16Å; V460-V462 VanDerWaalsContact O-N 3.12Å; V462-I500 HydrophobicContact CG2-CG2 4.07Å
463D86.1Confident91.5Very high52 Ų5236 Ų3628%0.27819%0.192SC..SBendtrans-123.5101.4174.9-175.4-24.7000106.4L461 M465 K466 S467L461-D463 VanDerWaalsContact C-N 3.29Å; L461-D463 PolarHBondContact O-N 3.09Å; D463-M465 PolarHBondContact O-N 3.04Å; D463-M465 PolarHBondContact OD1-N 2.74Å; D463-K466 HydrophobicContact CB-CB 4.15Å; D463-K466 HydrophobicContact CB-CD 4.22Å; D463-K466 HydrophobicContact CB-CG 4.28Å; D463-K466 PolarHBondContact O-N 3.47Å; D463-K466 VanDerWaalsContact O-N 3.14Å; D463-K466 PolarHBondContact OD1-N 3.2Å; D463-K466 WeakPolarHBondContact OD2-CD 3.08Å; D463-K466 WeakPolarHBondContact OD2-CE 3.33Å; D463-K466 WeakPolarHBondContact OD2-CG 3.25Å; D463-K466 IonicContact OD2-NZ 2.76Å; D463-K466 PolarHBondContact OD2-NZ 3.12Å; D463-S467 PolarHBondContact O-N 3.48Å
464L88.8Confident91.7Very high0 Ų030.6 Ų30.60%016%0.164CC..G310 helixtrans-61.1-40.4-170.4-168.263.8000109.8E198 I200 Y222 K466 S467 G470 V474E198-L464 HydrophobicContact CB-CB 4.13Å; E198-L464 HydrophobicContact CB-CD2 3.92Å; E198-L464 HydrophobicContact CG-CB 4.48Å; E198-L464 WeakPolarHBondContact OE2-CB 3.34Å; E198-L464 PolarHBondContact OE2-N 3.22Å; I200-L464 HydrophobicContact CD1-CD2 3.9Å; I200-L464 HydrophobicContact CG1-CD2 3.67Å; Y222-L464 HydrophobicContact CD2-CD1 4.48Å; Y222-L464 HydrophobicContact CE1-CD1 4.38Å; Y222-L464 HydrophobicContact CE1-CD2 4.39Å; Y222-L464 HydrophobicContact CE2-CD1 3.76Å; L464-K466 VanDerWaalsContact C-N 3.27Å; L464-K466 PolarHBondContact O-N 2.97Å; L464-S467 PolarHBondContact O-N 3.25Å; L464-S467 VanDerWaalsContact O-N 3.09Å; L464-S467 PolarHBondContact O-OG 3.13Å; L464-G470 WeakPolarHBondContact O-CA 3.33Å; L464-V474 HydrophobicContact CD2-CG2 4.41Å
465M88.4Confident91.9Very high67 Ų6733.9 Ų33.933%0.3318%0.179SC..G310 helixtrans-71.5-17.3-178.3-59.7-55.3-68.900113.8D463 L471 V474 I486D463-M465 PolarHBondContact O-N 3.04Å; D463-M465 PolarHBondContact OD1-N 2.74Å; M465-L471 HydrophobicContact CE-CD2 3.8Å; M465-L471 WeakPolarHBondContact O-CD1 3.44Å; M465-L471 VanDerWaalsContact O-CD2 3.26Å; M465-L471 WeakPolarHBondContact O-CD2 2.99Å; M465-L471 WeakPolarHBondContact O-CG 3.38Å; M465-L471 HydrophobicContact SD-CD2 4.44Å; M465-V474 HydrophobicContact CE-CG1 4.42Å; M465-V474 HydrophobicContact SD-CG1 4.44Å; M465-V474 HydrophobicContact SD-CG2 3.96Å; M465-I486 HydrophobicContact SD-CD1 3.88Å
466K89.1Confident92.1Very high167 Ų16733.6 Ų33.673%0.72618%0.175SC*.G310 helixtrans-90.7-19.4170.2-70.9-176-175.6127.80113.1D463 L464D463-K466 HydrophobicContact CB-CB 4.15Å; D463-K466 HydrophobicContact CB-CD 4.22Å; D463-K466 HydrophobicContact CB-CG 4.28Å; D463-K466 PolarHBondContact O-N 3.47Å; D463-K466 VanDerWaalsContact O-N 3.14Å; D463-K466 PolarHBondContact OD1-N 3.2Å; D463-K466 WeakPolarHBondContact OD2-CD 3.08Å; D463-K466 WeakPolarHBondContact OD2-CE 3.33Å; D463-K466 WeakPolarHBondContact OD2-CG 3.25Å; D463-K466 IonicContact OD2-NZ 2.76Å; D463-K466 PolarHBondContact OD2-NZ 3.12Å; L464-K466 VanDerWaalsContact C-N 3.27Å; L464-K466 PolarHBondContact O-N 2.97Å
467S91.1Very high92.3Very high9 Ų933.7 Ų33.76%0.06318%0.176CC..SBendtrans-79.9136.6178.676.40000110.3L461 D463 L464 V469 G470 L471L461-S467 WeakPolarHBondContact CD2-OG 3.43Å; D463-S467 PolarHBondContact O-N 3.48Å; L464-S467 PolarHBondContact O-N 3.25Å; L464-S467 VanDerWaalsContact O-N 3.09Å; L464-S467 PolarHBondContact O-OG 3.13Å; S467-V469 VanDerWaalsContact C-N 3.26Å; S467-V469 PolarHBondContact O-N 3.02Å; S467-G470 PolarHBondContact O-N 3.48Å; S467-G470 WeakPolarHBondContact OG-CA 2.82Å; S467-G470 PolarHBondContact OG-N 3.37Å; S467-L471 PolarHBondContact O-N 3.43Å
468P92.9Very high92.4Very high64 Ų6438.1 Ų38.142%0.41620%0.196SC..Hα-helixtrans-59.2-40.5177.822.3-32.3000111.3Y450 H454 L471 A472Y450-P468 PolarHBondContact OH-O 2.88Å; H454-P468 WeakPolarHBondContact CD2-CG 3.04Å; P468-L471 PolarHBondContact O-N 3.4Å; P468-A472 WeakPolarHBondContact O-CB 3.22Å; P468-A472 PolarHBondContact O-N 2.95Å
469V93.2Very high92.7Very high2 Ų243 Ų431%0.01222%0.222CC..Hα-helixtrans-64.2-46.2177.9-179.80000112Y450 F451 H454 R456 L461 S467 L471 A472 L473Y450-V469 HydrophobicContact CE1-CB 4.36Å; Y450-V469 HydrophobicContact CE1-CG2 3.93Å; F451-V469 HydrophobicContact CE1-CG1 4.11Å; H454-V469 HydrophobicContact CB-CG2 3.21Å; R456-V469 HydrophobicContact CG-CB 4.49Å; R456-V469 HydrophobicContact CG-CG1 3.98Å; R456-V469 HydrophobicContact CG-CG2 4.14Å; L461-V469 HydrophobicContact CD2-CB 4.49Å; S467-V469 VanDerWaalsContact C-N 3.26Å; S467-V469 PolarHBondContact O-N 3.02Å; V469-L471 VanDerWaalsContact C-N 3.34Å; V469-L471 PolarHBondContact O-N 2.79Å; V469-A472 PolarHBondContact O-N 2.96Å; V469-L473 HydrophobicContact CG1-CD1 3.91Å; V469-L473 HydrophobicContact CG1-CG 4.2Å; V469-L473 VanDerWaalsContact O-CG 3.28Å; V469-L473 WeakPolarHBondContact O-CG 3.24Å; V469-L473 PolarHBondContact O-N 2.84Å
470G92.9Very high93Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-61.1-4417900000112.2L464 S467 A472 L473 V474L464-G470 WeakPolarHBondContact O-CA 3.33Å; S467-G470 PolarHBondContact O-N 3.48Å; S467-G470 WeakPolarHBondContact OG-CA 2.82Å; S467-G470 PolarHBondContact OG-N 3.37Å; G470-A472 PolarHBondContact O-N 2.64Å; G470-L473 PolarHBondContact O-N 3.38Å; G470-V474 WeakPolarHBondContact O-CB 3.46Å; G470-V474 VanDerWaalsContact O-CG2 3.28Å; G470-V474 WeakPolarHBondContact O-CG2 3.49Å; G470-V474 PolarHBondContact O-N 2.8Å
471L94.7Very high93.2Very high80 Ų8042.9 Ų42.942%0.41922%0.217SC..Hα-helixtrans-60.1-45.1173.9-74.2173.6000112.5M465 S467 P468 V469 L473 V474 H475M465-L471 HydrophobicContact CE-CD2 3.8Å; M465-L471 WeakPolarHBondContact O-CD1 3.44Å; M465-L471 VanDerWaalsContact O-CD2 3.26Å; M465-L471 WeakPolarHBondContact O-CD2 2.99Å; M465-L471 WeakPolarHBondContact O-CG 3.38Å; M465-L471 HydrophobicContact SD-CD2 4.44Å; S467-L471 PolarHBondContact O-N 3.43Å; P468-L471 PolarHBondContact O-N 3.4Å; V469-L471 VanDerWaalsContact C-N 3.34Å; V469-L471 PolarHBondContact O-N 2.79Å; L471-L473 PolarHBondContact O-N 3.16Å; L471-V474 PolarHBondContact O-N 2.89Å; L471-H475 VanDerWaalsContact O-CB 3.26Å; L471-H475 WeakPolarHBondContact O-CB 2.96Å; L471-H475 PolarHBondContact O-N 2.92Å
472A95.9Very high93.3Very high26 Ų2646.7 Ų46.722%0.21524%0.238CC..Hα-helixtrans-62.6-42.3178.500000112W447 Y450 P468 V469 G470 F476W447-A472 HydrophobicContact CH2-CB 4.33Å; W447-A472 HydrophobicContact CZ3-CB 4.39Å; Y450-A472 HydrophobicContact CE1-CB 3.9Å; P468-A472 WeakPolarHBondContact O-CB 3.22Å; P468-A472 PolarHBondContact O-N 2.95Å; V469-A472 PolarHBondContact O-N 2.96Å; G470-A472 PolarHBondContact O-N 2.64Å; A472-F476 WeakPolarHBondContact O-CB 3.31Å; A472-F476 PolarHBondContact O-N 3.12Å
473L96.3Very high93.7Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-65.4-47.4176.8-68.5176000111.6I200 Y222 V242 L246 L271 W447 V469 G470 L471 F476 V477I200-L473 HydrophobicContact CD1-CB 3.69Å; Y222-L473 HydrophobicContact CG-CD1 4.24Å; V242-L473 HydrophobicContact CG1-CD2 3.91Å; L246-L473 HydrophobicContact CD1-CD2 3.74Å; L246-L473 HydrophobicContact CD2-CD2 4.39Å; L271-L473 HydrophobicContact CD1-CB 4.46Å; L271-L473 HydrophobicContact CD1-CD2 4.37Å; W447-L473 HydrophobicContact CH2-CD2 4Å; W447-L473 HydrophobicContact CZ3-CD2 3.93Å; V469-L473 HydrophobicContact CG1-CD1 3.91Å; V469-L473 HydrophobicContact CG1-CG 4.2Å; V469-L473 VanDerWaalsContact O-CG 3.28Å; V469-L473 WeakPolarHBondContact O-CG 3.24Å; V469-L473 PolarHBondContact O-N 2.84Å; G470-L473 PolarHBondContact O-N 3.38Å; L471-L473 PolarHBondContact O-N 3.16Å; L473-F476 PolarHBondContact O-N 3Å; L473-V477 VanDerWaalsContact O-CG2 3.31Å; L473-V477 WeakPolarHBondContact O-CG2 3.43Å; L473-V477 PolarHBondContact O-N 2.91Å
474V96.4Very high94.1Very high5 Ų551 Ų513%0.0326%0.259CS..Hα-helixtrans-59.8-49.2177.91710000110.3I200 L464 M465 G470 L471 F476 V477 E478 I486I200-V474 HydrophobicContact CD1-CG2 3.55Å; I200-V474 HydrophobicContact CG1-CG2 3.81Å; I200-V474 HydrophobicContact CG2-CG2 4.29Å; L464-V474 HydrophobicContact CD2-CG2 4.41Å; M465-V474 HydrophobicContact CE-CG1 4.42Å; M465-V474 HydrophobicContact SD-CG1 4.44Å; M465-V474 HydrophobicContact SD-CG2 3.96Å; G470-V474 WeakPolarHBondContact O-CB 3.46Å; G470-V474 VanDerWaalsContact O-CG2 3.28Å; G470-V474 WeakPolarHBondContact O-CG2 3.49Å; G470-V474 PolarHBondContact O-N 2.8Å; L471-V474 PolarHBondContact O-N 2.89Å; V474-F476 VanDerWaalsContact C-N 3.32Å; V474-F476 PolarHBondContact O-N 3.29Å; V474-V477 PolarHBondContact O-N 2.78Å; V474-V477 VanDerWaalsContact O-N 3.16Å; V474-E478 HydrophobicContact CG1-CG 4.29Å; V474-E478 WeakPolarHBondContact CG1-OE1 3.24Å; V474-E478 WeakPolarHBondContact O-CB 3.29Å; V474-E478 WeakPolarHBondContact O-CG 3.29Å; V474-E478 PolarHBondContact O-N 3.09Å; V474-I486 HydrophobicContact CG1-CD1 4.34Å; V474-I486 HydrophobicContact CG2-CD1 4.24Å
475H96.6Very high94.4Very high117 Ų11754.7 Ų54.754%0.54228%0.281SS..Hα-helixtrans-61.7-39.6179.8-174.557.2000112.4L471 E478 L479L471-H475 VanDerWaalsContact O-CB 3.26Å; L471-H475 WeakPolarHBondContact O-CB 2.96Å; L471-H475 PolarHBondContact O-N 2.92Å; H475-E478 PolarHBondContact O-N 3.34Å; H475-L479 WeakPolarHBondContact O-CB 3.37Å; H475-L479 PolarHBondContact O-N 3.4Å
476F96.9Very high94.6Very high22 Ų2254.3 Ų54.310%0.09628%0.28CS..Hα-helixtrans-64.3-43.4176-168.9-80.5000111.4L246 R250 Q443 W447 A472 L473 V474 E478 L479 Y480L246-F476 HydrophobicContact CB-CD1 4.15Å; L246-F476 HydrophobicContact CB-CE1 3.73Å; L246-F476 HydrophobicContact CB-CZ 4.22Å; L246-F476 HydrophobicContact CD2-CD1 3.59Å; L246-F476 HydrophobicContact CD2-CE1 4.05Å; L246-F476 HydrophobicContact CD2-CG 4.29Å; L246-F476 HydrophobicContact CG-CD1 4.34Å; L246-F476 HydrophobicContact CG-CE1 4.42Å; L246-F476 WeakPolarHBondContact O-CE1 3.29Å; R250-F476 HydrophobicContact CB-CE1 4.45Å; R250-F476 HydrophobicContact CB-CZ 4.14Å; Q443-F476 VanDerWaalsContact NE2-CZ 3.32Å; W447-F476 HydrophobicContact CH2-CB 4.37Å; W447-F476 HydrophobicContact CZ2-CB 4.12Å; W447-F476 AromaticContact CZ2-CD2 3.57Å; W447-F476 HydrophobicContact CZ2-CD2 3.57Å; W447-F476 HydrophobicContact CZ2-CE2 4.09Å; W447-F476 AromaticContact CZ2-CG 3.88Å; W447-F476 HydrophobicContact CZ2-CG 3.88Å; A472-F476 WeakPolarHBondContact O-CB 3.31Å; A472-F476 PolarHBondContact O-N 3.12Å; L473-F476 PolarHBondContact O-N 3Å; V474-F476 VanDerWaalsContact C-N 3.32Å; V474-F476 PolarHBondContact O-N 3.29Å; F476-E478 VanDerWaalsContact C-N 3.35Å; F476-L479 PolarHBondContact O-N 2.87Å; F476-Y480 AromaticContact CD1-CD2 3.69Å; F476-Y480 HydrophobicContact CD1-CD2 3.69Å; F476-Y480 HydrophobicContact CD1-CE2 4.2Å; F476-Y480 HydrophobicContact CD2-CD2 4.17Å; F476-Y480 AromaticContact CD2-CE2 3.87Å; F476-Y480 HydrophobicContact CD2-CE2 3.87Å; F476-Y480 AromaticContact CE1-CD2 3.43Å; F476-Y480 HydrophobicContact CE1-CD2 3.43Å; F476-Y480 VanDerWaalsContact CE1-CD2 3.43Å; F476-Y480 AromaticContact CE1-CE2 3.81Å; F476-Y480 HydrophobicContact CE1-CE2 3.81Å; F476-Y480 HydrophobicContact CE1-CG 4.37Å; F476-Y480 AromaticContact CE2-CD2 3.97Å; F476-Y480 HydrophobicContact CE2-CD2 3.97Å; F476-Y480 AromaticContact CE2-CE2 3.47Å; F476-Y480 HydrophobicContact CE2-CE2 3.47Å; F476-Y480 VanDerWaalsContact CE2-CE2 3.47Å; F476-Y480 HydrophobicContact CG-CD2 4.07Å; F476-Y480 HydrophobicContact CG-CE2 4.25Å; F476-Y480 AromaticContact CZ-CD2 3.6Å; F476-Y480 HydrophobicContact CZ-CD2 3.6Å; F476-Y480 AromaticContact CZ-CE2 3.43Å; F476-Y480 HydrophobicContact CZ-CE2 3.43Å; F476-Y480 VanDerWaalsContact CZ-CE2 3.43Å; F476-Y480 VanDerWaalsContact O-CD2 3.3Å; F476-Y480 WeakPolarHBondContact O-CD2 3.31Å; F476-Y480 PolarHBondContact O-N 3.13Å
477V97.4Very high94.8Very high3 Ų346.7 Ų46.72%0.01825%0.247CC..Hα-helixtrans-65.5-40.6177.6179.70000110.7I200 L246 L249 L271 L473 V474 L479 Y480 S481 T484I200-V477 HydrophobicContact CG2-CB 4.09Å; I200-V477 HydrophobicContact CG2-CG1 4.13Å; I200-V477 HydrophobicContact CG2-CG2 4.12Å; L246-V477 HydrophobicContact CD2-CG2 4.29Å; L249-V477 HydrophobicContact CD2-CB 4.22Å; L249-V477 HydrophobicContact CD2-CG1 4.1Å; L249-V477 HydrophobicContact CD2-CG2 4.04Å; L271-V477 HydrophobicContact CD1-CG2 3.93Å; L473-V477 VanDerWaalsContact O-CG2 3.31Å; L473-V477 WeakPolarHBondContact O-CG2 3.43Å; L473-V477 PolarHBondContact O-N 2.91Å; V474-V477 PolarHBondContact O-N 2.78Å; V474-V477 VanDerWaalsContact O-N 3.16Å; V477-L479 VanDerWaalsContact C-N 3.34Å; V477-L479 PolarHBondContact O-N 2.86Å; V477-Y480 PolarHBondContact O-N 3.26Å; V477-S481 VanDerWaalsContact O-CB 3.29Å; V477-S481 WeakPolarHBondContact O-CB 3.45Å; V477-S481 PolarHBondContact O-N 2.87Å; V477-S481 PolarHBondContact O-OG 2.81Å; V477-T484 HydrophobicContact CB-CG2 4.47Å; V477-T484 HydrophobicContact CG1-CG2 3.83Å
478E96.8Very high94.8Very high95 Ų9553 Ų5344%0.44427%0.269SS..Hα-helixtrans-60.7-39.5174.5-75.3174.7170.300112.9V474 H475 F476 Y480 T484V474-E478 HydrophobicContact CG1-CG 4.29Å; V474-E478 WeakPolarHBondContact CG1-OE1 3.24Å; V474-E478 WeakPolarHBondContact O-CB 3.29Å; V474-E478 WeakPolarHBondContact O-CG 3.29Å; V474-E478 PolarHBondContact O-N 3.09Å; H475-E478 PolarHBondContact O-N 3.34Å; F476-E478 VanDerWaalsContact C-N 3.35Å; E478-Y480 VanDerWaalsContact C-N 3.34Å; E478-Y480 PolarHBondContact O-N 3.13Å; E478-T484 VanDerWaalsContact CA-CG2 3.46Å; E478-T484 HydrophobicContact CB-CG2 4.14Å; E478-T484 HydrophobicContact CG-CG2 3.62Å; E478-T484 WeakPolarHBondContact CG-OG1 3.29Å
479L96.7Very high94.5Very high106 Ų10650.1 Ų50.156%0.55525%0.251SS*.Hα-helixtrans-68.1-32.9-179.9-177.462.3000112.9H475 F476 V477H475-L479 WeakPolarHBondContact O-CB 3.37Å; H475-L479 PolarHBondContact O-N 3.4Å; F476-L479 PolarHBondContact O-N 2.87Å; V477-L479 VanDerWaalsContact C-N 3.34Å; V477-L479 PolarHBondContact O-N 2.86Å
480Y96.5Very high94.3Very high51 Ų5156.9 Ų56.920%0.228%0.283CS..Hα-helixtrans-112-4.3-170.8-69.5-69.8000114.9R250 S253 F476 V477 E478R250-Y480 HydrophobicContact CB-CD1 4.41Å; R250-Y480 HydrophobicContact CB-CE1 4.42Å; R250-Y480 HydrophobicContact CG-CD1 4.12Å; R250-Y480 HydrophobicContact CG-CE1 3.67Å; R250-Y480 HydrophobicContact CG-CE2 4.28Å; S253-Y480 WeakPolarHBondContact CB-O 3.34Å; S253-Y480 PolarHBondContact OG-O 3.35Å; F476-Y480 AromaticContact CD1-CD2 3.69Å; F476-Y480 HydrophobicContact CD1-CD2 3.69Å; F476-Y480 HydrophobicContact CD1-CE2 4.2Å; F476-Y480 HydrophobicContact CD2-CD2 4.17Å; F476-Y480 AromaticContact CD2-CE2 3.87Å; F476-Y480 HydrophobicContact CD2-CE2 3.87Å; F476-Y480 AromaticContact CE1-CD2 3.43Å; F476-Y480 HydrophobicContact CE1-CD2 3.43Å; F476-Y480 VanDerWaalsContact CE1-CD2 3.43Å; F476-Y480 AromaticContact CE1-CE2 3.81Å; F476-Y480 HydrophobicContact CE1-CE2 3.81Å; F476-Y480 HydrophobicContact CE1-CG 4.37Å; F476-Y480 AromaticContact CE2-CD2 3.97Å; F476-Y480 HydrophobicContact CE2-CD2 3.97Å; F476-Y480 AromaticContact CE2-CE2 3.47Å; F476-Y480 HydrophobicContact CE2-CE2 3.47Å; F476-Y480 VanDerWaalsContact CE2-CE2 3.47Å; F476-Y480 HydrophobicContact CG-CD2 4.07Å; F476-Y480 HydrophobicContact CG-CE2 4.25Å; F476-Y480 AromaticContact CZ-CD2 3.6Å; F476-Y480 HydrophobicContact CZ-CD2 3.6Å; F476-Y480 AromaticContact CZ-CE2 3.43Å; F476-Y480 HydrophobicContact CZ-CE2 3.43Å; F476-Y480 VanDerWaalsContact CZ-CE2 3.43Å; F476-Y480 VanDerWaalsContact O-CD2 3.3Å; F476-Y480 WeakPolarHBondContact O-CD2 3.31Å; F476-Y480 PolarHBondContact O-N 3.13Å; V477-Y480 PolarHBondContact O-N 3.26Å; E478-Y480 VanDerWaalsContact C-N 3.34Å; E478-Y480 PolarHBondContact O-N 3.13Å
481S95.3Very high93.9Very high13 Ų1358.1 Ų58.19%0.09129%0.29CS..  trans-110157.8176.564.80000112.1V477 E483 T484V477-S481 VanDerWaalsContact O-CB 3.29Å; V477-S481 WeakPolarHBondContact O-CB 3.45Å; V477-S481 PolarHBondContact O-N 2.87Å; V477-S481 PolarHBondContact O-OG 2.81Å; S481-E483 PolarHBondContact OG-O 3.43Å; S481-T484 WeakPolarHBondContact OG-CG2 3.15Å
482D92.3Very high93.5Very high82 Ų8258.9 Ų58.944%0.43930%0.295SS..SBendtrans-73.4-38.2177.2-61.9-27.4000110.6R203 S205 R262R203-D482 WeakPolarHBondContact O-CB 3.35Å; R203-D482 PolarHBondContact O-N 2.89Å; S205-D482 PolarHBondContact N-OD2 2.88Å; R262-D482 IonicContact NH2-OD2 3.79Å
483E93.4Very high92.9Very high113 Ų11360.6 Ų60.653%0.52831%0.309SS..EExtended strand (participates in β ladder)trans-138.8134.8-179.5-63.6175.8175.600110G202 R203 S481G202-E483 CarbonylContact C-O 3.59Å; G202-E483 WeakPolarHBondContact CA-O 3.4Å; R203-E483 HydrophobicContact CB-CB 4.33Å; R203-E483 PolarHBondContact N-O 3.32Å; S481-E483 PolarHBondContact OG-O 3.43Å
484T94.7Very high92.4Very high50 Ų5068.9 Ų68.931%0.30735%0.345SS..EExtended strand (participates in β ladder)trans-116.5136.8172.954.20000111.7V201 V477 E478 S481V201-T484 CarbonylContact O-C 3.52Å; V201-T484 WeakPolarHBondContact O-CA 2.98Å; V477-T484 HydrophobicContact CB-CG2 4.47Å; V477-T484 HydrophobicContact CG1-CG2 3.83Å; E478-T484 VanDerWaalsContact CA-CG2 3.46Å; E478-T484 HydrophobicContact CB-CG2 4.14Å; E478-T484 HydrophobicContact CG-CG2 3.62Å; E478-T484 WeakPolarHBondContact CG-OG1 3.29Å; S481-T484 WeakPolarHBondContact OG-CG2 3.15Å
485T94.2Very high91.8Very high76 Ų7675.2 Ų75.247%0.46638%0.379SS..EExtended strand (participates in β ladder)trans-135.4144173.858.70000109.7V201V201-T485 PolarHBondContact N-O 3.43Å; V201-T485 PolarHBondContact O-N 2.91Å
486I94.1Very high91.2Very high60 Ų6071.7 Ų71.731%0.30837%0.366SS..EExtended strand (participates in β ladder)trans-110.6108.2174.9-58.8175.6000107.2E198 T199 M465 V474 R488E198-I486 HydrophobicContact CB-CG2 4.03Å; E198-I486 HydrophobicContact CG-CG2 4.47Å; T199-I486 CarbonylContact O-C 3.09Å; T199-I486 WeakPolarHBondContact O-CA 2.9Å; M465-I486 HydrophobicContact SD-CD1 3.88Å; V474-I486 HydrophobicContact CG1-CD1 4.34Å; V474-I486 HydrophobicContact CG2-CD1 4.24Å; I486-R488 HydrophobicContact CG2-CG 4.45Å
487S91.8Very high90.7Very high6 Ų674.4 Ų74.44%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-81.4121.2173.1155.60000108.8E198 T199 H284 E288E198-S487 CarbonylContact C-O 3.26Å; E198-S487 WeakPolarHBondContact CA-O 3.41Å; T199-S487 PolarHBondContact N-O 3.33Å; T199-S487 PolarHBondContact O-N 3.47Å; H284-S487 PolarHBondContact ND1-OG 3.45Å; E288-S487 PolarHBondContact OE2-OG 2.96Å
488R91.8Very high90.4Very high141 Ų14174.5 Ų74.553%0.53238%0.379SS..EExtended strand (participates in β ladder)trans-101.8112.4176.2-63-168173.8129.72.2110.2L197 E198 H284 I486L197-R488 CarbonylContact O-C 3.55Å; L197-R488 WeakPolarHBondContact O-CA 3.31Å; E198-R488 HydrophobicContact CG-CG 4.17Å; E198-R488 IonicContact OE1-CZ 2.64Å; E198-R488 IonicContact OE1-NE 3.28Å; E198-R488 PolarHBondContact OE1-NE 2.89Å; E198-R488 IonicContact OE1-NH2 3.89Å; E198-R488 PolarHBondContact OE1-NH2 2.91Å; H284-R488 PolarHBondContact CE1-O 3.42Å; H284-R488 VanDerWaalsContact CE1-O 3.3Å; I486-R488 HydrophobicContact CG2-CG 4.45Å
489A87.3Confident90.1Very high4 Ų470.2 Ų70.23%0.03336%0.359CS..EExtended strand (participates in β ladder)trans-83.5116.2169.600000108.9S196 L197 H284S196-A489 CarbonylContact C-O 3.51Å; S196-A489 WeakPolarHBondContact CA-O 3.42Å; L197-A489 HydrophobicContact CB-CB 4.28Å; L197-A489 PolarHBondContact N-O 2.91Å; L197-A489 PolarHBondContact O-N 3.3Å; H284-A489 HydrophobicContact CB-CB 3.51Å
490Q87.4Confident89.7Confident144 Ų14465.2 Ų65.267%0.67333%0.333SS*.EExtended strand (participates in β ladder)trans-118.9129.6175.7-66.6-173.4-0.200109.8Y195Y195-Q490 WeakPolarHBondContact O-CA 3.31Å
491T86Confident89.3Confident26 Ų2664.1 Ų64.116%0.1633%0.329CS..  trans-97.8149172.1-172.60000111Y195 P496 E497 F498Y195-T491 HydrophobicContact CD1-CG2 3.85Å; Y195-T491 HydrophobicContact CG-CG2 4.26Å; Y195-T491 PolarHBondContact O-N 3.44Å; T491-P496 HydrophobicContact CG2-CB 3.97Å; T491-P496 WeakPolarHBondContact OG1-CA 3.4Å; T491-E497 PolarHBondContact OG1-N 2.83Å; T491-F498 HydrophobicContact CG2-CD1 4.1Å; T491-F498 HydrophobicContact CG2-CE1 3.98Å; T491-F498 HydrophobicContact CG2-CG 4.48Å; T491-F498 HydrophobicContact CG2-CZ 4.23Å; T491-F498 VanDerWaalsContact CG2-O 3.29Å; T491-F498 WeakPolarHBondContact CG2-O 3Å
492D85.5Confident88.8Confident97 Ų9763.7 Ų63.752%0.51933%0.327SS..  trans-64.1135.2173.3-173.1-0.5000110K494 N495 P496D492-K494 PolarHBondContact O-N 2.91Å; D492-K494 PolarHBondContact OD1-N 3.48Å; D492-K494 VanDerWaalsContact OD1-N 3.08Å; D492-N495 CarbonylContact O-C 3.55Å; D492-P496 VanDerWaalsContact O-CA 3.26Å; D492-P496 WeakPolarHBondContact O-CA 3.4Å
493A83.8Confident88.4Confident61 Ų6160.9 Ų60.950%0.50432%0.318SS..SBendtrans-67.6-22.5177.500000112.7Y195Y195-A493 HydrophobicContact CE2-CB 4.3Å
494K85.6Confident88.2Confident175 Ų17556 Ų5676%0.76130%0.296SS*.SBendtrans-73.4-42.7178.3-68.6-179.5-179.9176.20112.6D492D492-K494 PolarHBondContact O-N 2.91Å; D492-K494 PolarHBondContact OD1-N 3.48Å; D492-K494 VanDerWaalsContact OD1-N 3.08Å
495N84Confident88Confident137 Ų13757 Ų5773%0.73330%0.301SS*.SBendtrans-132.374.8179.7-68.7-33.6000109.1D492 E497D492-N495 CarbonylContact O-C 3.55Å; N495-E497 PolarHBondContact O-N 3.42Å
496P83.5Confident87.8Confident43 Ų4353.7 Ų53.728%0.27928%0.281SS..  trans-73.2126.3-175.227.9-33.1000111.3Y195 T491 D492 V499Y195-P496 HydrophobicContact CD1-CB 3.97Å; Y195-P496 HydrophobicContact CE1-CB 3.96Å; Y195-P496 HydrophobicContact CE1-CG 4.35Å; T491-P496 HydrophobicContact CG2-CB 3.97Å; T491-P496 WeakPolarHBondContact OG1-CA 3.4Å; D492-P496 VanDerWaalsContact O-CA 3.26Å; D492-P496 WeakPolarHBondContact O-CA 3.4Å; P496-V499 HydrophobicContact CB-CG2 3.52Å; P496-V499 HydrophobicContact CG-CG2 3.52Å
497E86.3Confident87.7Confident80 Ų8052.7 Ų52.737%0.37428%0.278SS..SBendtrans-63.8-37.3167.3-171.6-176.4176.300110.2H53 L280 T491 N495H53-E497 WeakPolarHBondContact CE1-CG 3.43Å; H53-E497 IonicContact CE1-OE1 2.92Å; H53-E497 PolarHBondContact CE1-OE1 3.01Å; H53-E497 VanDerWaalsContact CE1-OE1 3.24Å; H53-E497 PolarHBondContact N-O 3.31Å; H53-E497 IonicContact NE2-OE1 2.75Å; L280-E497 VanDerWaalsContact CD2-CD 3.46Å; L280-E497 HydrophobicContact CD2-CG 4.12Å; L280-E497 WeakPolarHBondContact CD2-OE1 3.25Å; T491-E497 PolarHBondContact OG1-N 2.83Å; N495-E497 PolarHBondContact O-N 3.42Å
498F90.4Very high87.7Confident5 Ų552.4 Ų52.42%0.02228%0.276CS..EExtended strand (participates in β ladder)trans-141.9150.9175.868.9-86.4000111.9D51 L52 Y195 L197 L280 T491 I500D51-F498 CarbonylContact O-C 3.52Å; D51-F498 VanDerWaalsContact O-CA 3.23Å; D51-F498 WeakPolarHBondContact O-CA 3.49Å; L52-F498 HydrophobicContact CD2-CB 3.81Å; Y195-F498 WeakPolarHBondContact O-CZ 3.44Å; L197-F498 HydrophobicContact CB-CZ 4.43Å; L197-F498 HydrophobicContact CD1-CD2 4.33Å; L197-F498 HydrophobicContact CD1-CE1 4.03Å; L197-F498 HydrophobicContact CD1-CE2 3.84Å; L197-F498 HydrophobicContact CD1-CZ 3.67Å; L197-F498 HydrophobicContact CD2-CE2 4.37Å; L197-F498 HydrophobicContact CG-CD2 4.49Å; L197-F498 HydrophobicContact CG-CE1 4.45Å; L197-F498 HydrophobicContact CG-CE2 3.65Å; L197-F498 HydrophobicContact CG-CZ 3.62Å; L280-F498 HydrophobicContact CD1-CB 3.55Å; L280-F498 HydrophobicContact CD1-CD1 3.57Å; L280-F498 HydrophobicContact CD1-CD2 4.38Å; L280-F498 HydrophobicContact CD1-CE1 4.35Å; L280-F498 HydrophobicContact CD1-CG 3.57Å; L280-F498 HydrophobicContact CD2-CD1 4.3Å; L280-F498 HydrophobicContact CG-CD1 4.4Å; T491-F498 HydrophobicContact CG2-CD1 4.1Å; T491-F498 HydrophobicContact CG2-CE1 3.98Å; T491-F498 HydrophobicContact CG2-CG 4.48Å; T491-F498 HydrophobicContact CG2-CZ 4.23Å; T491-F498 VanDerWaalsContact CG2-O 3.29Å; T491-F498 WeakPolarHBondContact CG2-O 3Å; F498-I500 HydrophobicContact CD2-CD1 3.97Å; F498-I500 HydrophobicContact CD2-CG1 4.22Å; F498-I500 HydrophobicContact CE2-CD1 4.01Å
499V91.1Very high87.6Confident4 Ų447.8 Ų47.82%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-134.1126.2170.3-170.80000109F50 D51 A193 Y195 P496 Y501F50-V499 CarbonylContact C-O 3.25Å; F50-V499 WeakPolarHBondContact CA-O 3.44Å; F50-V499 WeakPolarHBondContact CB-O 3.46Å; D51-V499 HydrophobicContact CB-CB 4.03Å; D51-V499 HydrophobicContact CB-CG2 4.2Å; D51-V499 PolarHBondContact N-O 3.39Å; D51-V499 PolarHBondContact O-N 3.49Å; A193-V499 HydrophobicContact CB-CG1 3.71Å; Y195-V499 HydrophobicContact CD1-CG2 4.19Å; Y195-V499 HydrophobicContact CE1-CB 4.38Å; Y195-V499 HydrophobicContact CE1-CG1 3.95Å; Y195-V499 HydrophobicContact CE1-CG2 3.71Å; P496-V499 HydrophobicContact CB-CG2 3.52Å; P496-V499 HydrophobicContact CG-CG2 3.52Å; V499-Y501 HydrophobicContact CB-CE2 3.99Å; V499-Y501 HydrophobicContact CG1-CD2 4.19Å; V499-Y501 HydrophobicContact CG1-CE1 4.04Å; V499-Y501 HydrophobicContact CG1-CE2 3.68Å
500I89.7Confident87.7Confident2 Ų247.6 Ų47.61%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-107126.5175.3-65.8156.8000108.2Y194 L197 M277 Q458 Q459 V462 F498Y194-I500 PolarHBondContact N-O 3.19Å; Y194-I500 PolarHBondContact O-N 3.28Å; L197-I500 HydrophobicContact CD2-CD1 3.54Å; L197-I500 HydrophobicContact CG-CD1 4.35Å; M277-I500 HydrophobicContact CE-CG1 4.11Å; Q458-I500 HydrophobicContact CG-CD1 3.63Å; Q458-I500 HydrophobicContact CG-CG1 4.49Å; Q459-I500 HydrophobicContact CB-CG2 4.29Å; Q459-I500 HydrophobicContact CG-CG2 3.68Å; V462-I500 HydrophobicContact CG2-CG2 4.07Å; F498-I500 HydrophobicContact CD2-CD1 3.97Å; F498-I500 HydrophobicContact CD2-CG1 4.22Å; F498-I500 HydrophobicContact CE2-CD1 4.01Å
501Y87.7Confident87.5Confident27 Ų2742.1 Ų42.111%0.10623%0.234CC..EExtended strand (participates in β ladder)trans-102.6125.9-179.2-64.9-90000111.2R46 Q49 D51 A191 P192 A193 V499R46-Y501 PolarHBondContact NH2-O 2.93Å; Q49-Y501 HydrophobicContact CB-CD2 4.2Å; Q49-Y501 HydrophobicContact CB-CG 4.41Å; Q49-Y501 VanDerWaalsContact CD-CD2 3.44Å; Q49-Y501 HydrophobicContact CG-CD2 3.5Å; Q49-Y501 HydrophobicContact CG-CE2 4.12Å; Q49-Y501 HydrophobicContact CG-CG 3.88Å; Q49-Y501 VanDerWaalsContact NE2-CD2 3.27Å; Q49-Y501 PolarHBondContact O-N 3.45Å; D51-Y501 VanDerWaalsContact OD2-CE2 3.29Å; D51-Y501 WeakPolarHBondContact OD2-CE2 3.41Å; D51-Y501 PolarHBondContact OD2-OH 3.4Å; A191-Y501 HydrophobicContact CB-CD1 4.17Å; A191-Y501 HydrophobicContact CB-CG 4.44Å; P192-Y501 CarbonylContact O-C 3.58Å; P192-Y501 WeakPolarHBondContact O-CA 3.47Å; A193-Y501 HydrophobicContact CB-CD1 4.17Å; A193-Y501 HydrophobicContact CB-CE1 4.04Å; V499-Y501 HydrophobicContact CB-CE2 3.99Å; V499-Y501 HydrophobicContact CG1-CD2 4.19Å; V499-Y501 HydrophobicContact CG1-CE1 4.04Å; V499-Y501 HydrophobicContact CG1-CE2 3.68Å
502G84.7Confident87.1Confident4 Ų442.5 Ų42.54%0.04123%0.234CC..  trans-78.3-169.2175.500000113.7R46 A191 P192R46-G502 PolarHBondContact NH2-O 3.3Å; A191-G502 WeakPolarHBondContact CB-O 3.44Å; P192-G502 PolarHBondContact O-N 3.3Å
503G83.8Confident86.2Confident24 Ų2442.9 Ų42.925%0.24723%0.229CC..  trans77.344.3-179.300000113R46 V505R46-G503 PolarHBondContact NE-O 3.39Å; G503-V505 VanDerWaalsContact C-N 3.34Å
504V88.1Confident85Confident11 Ų1144.2 Ų44.27%0.06723%0.227CC..  trans-67.8-31.5-179-179.30000112.7F45 R46 P229 S230 Q459F45-V504 CarbonylContact C-O 3.31Å; F45-V504 WeakPolarHBondContact CA-O 3.42Å; R46-V504 PolarHBondContact N-O 3.03Å; P229-V504 HydrophobicContact CB-CG1 3.55Å; P229-V504 HydrophobicContact CB-CG2 4.12Å; P229-V504 HydrophobicContact CG-CG1 3.7Å; P229-V504 HydrophobicContact CG-CG2 4.37Å; S230-V504 VanDerWaalsContact N-CG1 3.34Å; Q459-V504 HydrophobicContact CB-CG2 3.82Å
505V90.9Very high83.6Confident71 Ų7140 Ų4043%0.4321%0.209SC..EExtended strand (participates in β ladder)trans-112.4135.6-178.5-171.30000109.3T43 F45 G503T43-V505 HydrophobicContact CG2-CG1 3.54Å; F45-V505 HydrophobicContact CD1-CG1 4.25Å; F45-V505 HydrophobicContact CD1-CG2 3.99Å; F45-V505 HydrophobicContact CE1-CG1 4.08Å; F45-V505 HydrophobicContact CE1-CG2 4.08Å; G503-V505 VanDerWaalsContact C-N 3.34Å
506D90Very high82.1Confident6 Ų635.9 Ų35.93%0.03219%0.187CC..EExtended strand (participates in β ladder)trans-134.2164.1170.1-159.3-0.8000110.4V44 Y141 S184 V186V44-D506 HydrophobicContact CG2-CB 3.98Å; V44-D506 PolarHBondContact N-O 3.39Å; V44-D506 PolarHBondContact O-N 3.42Å; Y141-D506 HydrophobicContact CE1-CB 4.06Å; S184-D506 WeakPolarHBondContact CB-OD2 3.3Å; V186-D506 WeakPolarHBondContact CG2-OD1 3.28Å; V186-D506 PolarHBondContact N-OD1 3.15Å
507T91.8Very high80.7Confident39 Ų3937.3 Ų37.324%0.23920%0.196CC..EExtended strand (participates in β ladder)trans-114125173.1-52.30000108.5K185K185-T507 WeakPolarHBondContact CB-O 3.22Å; K185-T507 PolarHBondContact N-O 3.34Å
508I91.6Very high79.1Confident0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-93.3129.1173.8-65-175.2000109.1T41 F42 V44 V64 I106 L182T41-I508 VanDerWaalsContact CA-O 3.32Å; T41-I508 WeakPolarHBondContact CA-O 3.39Å; F42-I508 HydrophobicContact CD1-CB 4.43Å; F42-I508 HydrophobicContact CE1-CB 3.98Å; F42-I508 HydrophobicContact CE1-CG2 3.76Å; F42-I508 HydrophobicContact CE2-CB 4.19Å; F42-I508 HydrophobicContact CE2-CD1 4.12Å; F42-I508 HydrophobicContact CZ-CB 3.84Å; F42-I508 HydrophobicContact CZ-CD1 4.04Å; F42-I508 HydrophobicContact CZ-CG1 4.49Å; F42-I508 HydrophobicContact CZ-CG2 3.78Å; F42-I508 PolarHBondContact N-O 2.94Å; F42-I508 VanDerWaalsContact N-O 3.1Å; F42-I508 PolarHBondContact O-N 3.31Å; V44-I508 HydrophobicContact CB-CD1 4.22Å; V44-I508 HydrophobicContact CB-CG1 4.43Å; V44-I508 HydrophobicContact CG1-CD1 3.48Å; V44-I508 VanDerWaalsContact CG1-CD1 3.48Å; V44-I508 HydrophobicContact CG1-CG1 3.89Å; V44-I508 HydrophobicContact CG2-CD1 3.8Å; V44-I508 HydrophobicContact CG2-CG1 3.67Å; V64-I508 HydrophobicContact CG2-CD1 4.47Å; I106-I508 HydrophobicContact CD1-CD1 3.36Å; I106-I508 HydrophobicContact CG1-CD1 4.2Å; L182-I508 HydrophobicContact CB-CG2 3.69Å; L182-I508 HydrophobicContact CD1-CG2 4.28Å; L182-I508 HydrophobicContact CD2-CG2 3.78Å; L182-I508 HydrophobicContact CG-CG2 4.07Å
509L90.6Very high77.7Confident43 Ų4341 Ų4123%0.22523%0.228CC..EExtended strand (participates in β ladder)trans-88.1114.8169.2-52.3179.6000108T39 T41 L182 V183T39-L509 HydrophobicContact CG2-CB 4.04Å; T39-L509 HydrophobicContact CG2-CD2 4.28Å; T41-L509 HydrophobicContact CG2-CD2 3.34Å; L182-L509 WeakPolarHBondContact CA-O 3.2Å; V183-L509 PolarHBondContact N-O 3.45Å; V183-L509 WeakPolarHBondContact O-CB 3.48Å; V183-L509 PolarHBondContact O-N 3.12Å
510A88.5Confident76Confident0 Ų044.3 Ų44.30%025%0.245CC..EExtended strand (participates in β ladder)trans-9699.8174.900000108.7E40 F42 I152 Y180 L182E40-A510 PolarHBondContact N-O 3.43Å; E40-A510 WeakPolarHBondContact O-CB 3.32Å; E40-A510 PolarHBondContact O-N 3.01Å; F42-A510 HydrophobicContact CE1-CB 4.25Å; I152-A510 HydrophobicContact CD1-CB 3.8Å; Y180-A510 HydrophobicContact CD1-CB 3.91Å; Y180-A510 HydrophobicContact CE1-CB 4.27Å; L182-A510 HydrophobicContact CD2-CB 3.74Å
511H83.6Confident74.4Confident30 Ų3045.5 Ų45.514%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-88115.2174.5-63.9-71.8000108.9T39 Y180 K181 Y513T39-H511 WeakPolarHBondContact CG2-CE1 3.49Å; T39-H511 PolarHBondContact OG1-CE1 2.85Å; T39-H511 VanDerWaalsContact OG1-CE1 3.25Å; T39-H511 PolarHBondContact OG1-ND1 2.88Å; Y180-H511 WeakPolarHBondContact CA-O 3.17Å; K181-H511 PolarHBondContact N-O 3.46Å; K181-H511 PolarHBondContact O-N 3.45Å; H511-Y513 HydrophobicContact CB-CD2 4.07Å; H511-Y513 HydrophobicContact CB-CE2 3.35Å; H511-Y513 WeakPolarHBondContact O-CD2 3.4Å; H511-Y513 PolarHBondContact O-N 3.15Å
512Q77.4Confident72.9Confident34 Ų3448.6 Ų48.616%0.15927%0.269CS..EExtended strand (participates in β ladder)trans-76.9119.4167.9-170.7179-27.400108.6Y180 N514Y180-Q512 HydrophobicContact CD1-CB 4.13Å; Y180-Q512 HydrophobicContact CE1-CB 3.69Å; Y180-Q512 HydrophobicContact CE1-CG 4.29Å; Y180-Q512 HydrophobicContact CE2-CG 4.38Å; Y180-Q512 PolarHBondContact OH-OE1 3.34Å; Q512-N514 PolarHBondContact NE2-OD1 2.92Å
513Y66.8Low71.6Confident104 Ų10451.3 Ų51.341%0.40828%0.28SS..EExtended strand (participates in β ladder)trans-105.1112.8169.3-65-79.8000108.2S179 K181 H511S179-Y513 PolarHBondContact N-O 3.36Å; S179-Y513 PolarHBondContact O-N 3.11Å; K181-Y513 HydrophobicContact CB-CD2 3.87Å; K181-Y513 HydrophobicContact CB-CE2 3.65Å; K181-Y513 HydrophobicContact CD-CE2 3.87Å; K181-Y513 HydrophobicContact CG-CE2 4.39Å; H511-Y513 HydrophobicContact CB-CD2 4.07Å; H511-Y513 HydrophobicContact CB-CE2 3.35Å; H511-Y513 WeakPolarHBondContact O-CD2 3.4Å; H511-Y513 PolarHBondContact O-N 3.15Å
514N59.5Low70.2Confident89 Ų8953.2 Ų53.248%0.47628%0.284SS..  trans-83.6111.7161.2-64.6-24.9000105.8Q512 L516Q512-N514 PolarHBondContact NE2-OD1 2.92Å; N514-L516 PolarHBondContact O-N 2.87Å
515F56.3Low68.5Low87 Ų8753.8 Ų53.838%0.38229%0.287SS..PPolyproline II helixtrans-60.8124165.8-92.9-86000108.1F175 L521F175-F515 WeakPolarHBondContact O-CB 3.02Å; F175-F515 WeakPolarHBondContact O-CD1 3.17Å; F175-F515 WeakPolarHBondContact O-CD2 3.49Å; F175-F515 WeakPolarHBondContact O-CG 3.44Å; F515-L521 HydrophobicContact CD1-CD1 3.68Å; F515-L521 HydrophobicContact CE1-CD1 4.24Å
516L52.6Low66.6Low50 Ų5055 Ų5526%0.26229%0.286SS..PPolyproline II helixtrans-60.2147.6-172.8-79.480.2000110.1N514 L520 L524N514-L516 PolarHBondContact O-N 2.87Å; L516-L520 HydrophobicContact CB-CB 3.61Å; L516-L520 HydrophobicContact CD2-CB 3.52Å; L516-L520 HydrophobicContact CD2-CD1 4.18Å; L516-L520 HydrophobicContact CD2-CD2 3.85Å; L516-L520 HydrophobicContact CD2-CG 4.06Å; L516-L520 HydrophobicContact CG-CB 4.15Å; L516-L524 HydrophobicContact CD1-CD1 3.64Å; L516-L524 HydrophobicContact CD2-CD1 4.01Å; L516-L524 HydrophobicContact CG-CD1 4.33Å
517P52.7Low64.6Low74 Ų7462.7 Ų62.748%0.48132%0.315SS..PPolyproline II helixtrans-54.6154.6176.723.4-33.4000110.9P519 L520 L521P517-P519 VanDerWaalsContact C-N 3.34Å; P517-P519 WeakPolarHBondContact O-CD 2.93Å; P517-L520 HydrophobicContact CG-CD1 3.96Å; P517-L520 PolarHBondContact O-N 3.5Å; P517-L521 PolarHBondContact O-N 3.23Å; P517-L521 VanDerWaalsContact O-N 3.13Å
518P53.5Low62.6Low64 Ų6463.8 Ų63.842%0.41632%0.322SS..Hα-helixtrans-42.3-44.2-169.7-2932.9000116.9F176 L520 L521 L522F176-P518 HydrophobicContact CE1-CG 4.21Å; F176-P518 HydrophobicContact CZ-CG 4.4Å; P518-L520 VanDerWaalsContact C-N 3.3Å; P518-L520 PolarHBondContact O-N 3.38Å; P518-L521 PolarHBondContact O-N 3.4Å; P518-L522 PolarHBondContact O-N 3.44Å; P518-L522 VanDerWaalsContact O-N 3.15Å
519P60Low60.8Low99 Ų9975.2 Ų75.264%0.64337%0.365SS*.Hα-helixtrans-65-33.1-179.823.6-33.9000113.4P517 F523P517-P519 VanDerWaalsContact C-N 3.34Å; P517-P519 WeakPolarHBondContact O-CD 2.93Å; P519-F523 PolarHBondContact O-N 3.3Å
520L57.3Low59.1Low72 Ų7276.1 Ų76.138%0.37737%0.372SS..Hα-helixtrans-86.1-26-179-85.2153.8000112.7L516 P517 P518 F523 L524L516-L520 HydrophobicContact CB-CB 3.61Å; L516-L520 HydrophobicContact CD2-CB 3.52Å; L516-L520 HydrophobicContact CD2-CD1 4.18Å; L516-L520 HydrophobicContact CD2-CD2 3.85Å; L516-L520 HydrophobicContact CD2-CG 4.06Å; L516-L520 HydrophobicContact CG-CB 4.15Å; P517-L520 HydrophobicContact CG-CD1 3.96Å; P517-L520 PolarHBondContact O-N 3.5Å; P518-L520 VanDerWaalsContact C-N 3.3Å; P518-L520 PolarHBondContact O-N 3.38Å; L520-F523 WeakPolarHBondContact O-CB 3.36Å; L520-F523 PolarHBondContact O-N 3.5Å; L520-L524 PolarHBondContact O-N 2.91Å
521L55.2Low57.7Low28 Ų2880.2 Ų80.215%0.14741%0.406CS..Hα-helixtrans-65.7-44.5169.7-170.386.3000110.5F176 F515 P517 P518 F523 L524 I525F176-L521 HydrophobicContact CE1-CB 4.13Å; F176-L521 HydrophobicContact CE1-CD2 3.61Å; F176-L521 HydrophobicContact CE1-CG 4.33Å; F176-L521 HydrophobicContact CZ-CD2 3.68Å; F515-L521 HydrophobicContact CD1-CD1 3.68Å; F515-L521 HydrophobicContact CE1-CD1 4.24Å; P517-L521 PolarHBondContact O-N 3.23Å; P517-L521 VanDerWaalsContact O-N 3.13Å; P518-L521 PolarHBondContact O-N 3.4Å; L521-F523 PolarHBondContact O-N 3.26Å; L521-L524 PolarHBondContact O-N 2.95Å; L521-L524 VanDerWaalsContact O-N 3.09Å; L521-I525 HydrophobicContact CD2-CD1 3.84Å; L521-I525 HydrophobicContact CG-CD1 3.87Å; L521-I525 HydrophobicContact CG-CG1 4.36Å; L521-I525 VanDerWaalsContact O-CG1 3.29Å; L521-I525 WeakPolarHBondContact O-CG1 3.4Å; L521-I525 PolarHBondContact O-N 3.05Å
522L56.5Low56.6Low92 Ų9282.3 Ų82.348%0.48242%0.418SS..Hα-helixtrans-54.3-47174.6-150.385.3000109.7P518 L524 I525 F526P518-L522 PolarHBondContact O-N 3.44Å; P518-L522 VanDerWaalsContact O-N 3.15Å; L522-L524 PolarHBondContact O-N 2.98Å; L522-I525 PolarHBondContact O-N 2.97Å; L522-F526 HydrophobicContact CD2-CD2 4.44Å; L522-F526 HydrophobicContact CD2-CE2 3.69Å; L522-F526 HydrophobicContact CG-CD2 4.13Å; L522-F526 HydrophobicContact CG-CE2 3.64Å; L522-F526 WeakPolarHBondContact O-CD2 3.5Å; L522-F526 PolarHBondContact O-N 3.01Å
523F57Low55.8Low60 Ų6082.8 Ų82.826%0.26342%0.419SS..Hα-helixtrans-59.3-39.1176.4-171.8-98000113.8P519 L520 L521 R527P519-F523 PolarHBondContact O-N 3.3Å; L520-F523 WeakPolarHBondContact O-CB 3.36Å; L520-F523 PolarHBondContact O-N 3.5Å; L521-F523 PolarHBondContact O-N 3.26Å; F523-R527 WeakPolarHBondContact O-CB 3.48Å; F523-R527 PolarHBondContact O-N 3.49Å
524L53.5Low56Low65 Ų6582.7 Ų82.734%0.3443%0.426SS..Hα-helixtrans-74.5-35.1176.3-97.4162.3000113.5L516 L520 L521 L522 F526 R527 T528L516-L524 HydrophobicContact CD1-CD1 3.64Å; L516-L524 HydrophobicContact CD2-CD1 4.01Å; L516-L524 HydrophobicContact CG-CD1 4.33Å; L520-L524 PolarHBondContact O-N 2.91Å; L521-L524 PolarHBondContact O-N 2.95Å; L521-L524 VanDerWaalsContact O-N 3.09Å; L522-L524 PolarHBondContact O-N 2.98Å; L524-F526 VanDerWaalsContact C-N 3.32Å; L524-R527 PolarHBondContact O-N 3.49Å; L524-R527 VanDerWaalsContact O-N 3.13Å; L524-T528 HydrophobicContact CD2-CG2 4.49Å; L524-T528 PolarHBondContact O-N 2.92Å; L524-T528 PolarHBondContact O-OG1 3.26Å
525I52.7Low56.6Low23 Ų2383.8 Ų83.812%0.11843%0.431CS..Hα-helixtrans-63.5-42.4172.6-67.9165.8000109.3L521 L522 R527 T528 F533 I536L521-I525 HydrophobicContact CD2-CD1 3.84Å; L521-I525 HydrophobicContact CG-CD1 3.87Å; L521-I525 HydrophobicContact CG-CG1 4.36Å; L521-I525 VanDerWaalsContact O-CG1 3.29Å; L521-I525 WeakPolarHBondContact O-CG1 3.4Å; L521-I525 PolarHBondContact O-N 3.05Å; L522-I525 PolarHBondContact O-N 2.97Å; I525-R527 PolarHBondContact O-N 3.26Å; I525-T528 PolarHBondContact O-N 3.43Å; I525-T528 VanDerWaalsContact O-O 3.07Å; I525-F533 HydrophobicContact CG2-CB 3.97Å; I525-F533 HydrophobicContact CG2-CD2 4.23Å; I525-F533 VanDerWaalsContact O-CD2 3.25Å; I525-F533 WeakPolarHBondContact O-CD2 3.44Å; I525-I536 HydrophobicContact CD1-CD1 3.98Å; I525-I536 HydrophobicContact CG2-CD1 3.92Å
526F52.4Low57.5Low97 Ų9781.7 Ų81.743%0.42542%0.424SS..Hα-helixtrans-61.7-27.7172.6-79.5-68.1000113.3L522 L524 F533 M537 I540L522-F526 HydrophobicContact CD2-CD2 4.44Å; L522-F526 HydrophobicContact CD2-CE2 3.69Å; L522-F526 HydrophobicContact CG-CD2 4.13Å; L522-F526 HydrophobicContact CG-CE2 3.64Å; L522-F526 WeakPolarHBondContact O-CD2 3.5Å; L522-F526 PolarHBondContact O-N 3.01Å; L524-F526 VanDerWaalsContact C-N 3.32Å; F526-F533 HydrophobicContact CD1-CD2 4.32Å; F526-F533 AromaticContact CD1-CE2 3.63Å; F526-F533 HydrophobicContact CD1-CE2 3.63Å; F526-F533 HydrophobicContact CE1-CE2 4.12Å; F526-F533 HydrophobicContact CG-CE2 4.46Å; F526-M537 HydrophobicContact CE1-SD 3.85Å; F526-I540 HydrophobicContact CZ-CD1 4.44Å
527R47.6Very low58.5Low166 Ų16682.1 Ų82.163%0.62643%0.425SS*.Hα-helixtrans-90.8-28.1-177.9-171.5172.1176.2158.30.4114.1F523 L524 I525F523-R527 WeakPolarHBondContact O-CB 3.48Å; F523-R527 PolarHBondContact O-N 3.49Å; L524-R527 PolarHBondContact O-N 3.49Å; L524-R527 VanDerWaalsContact O-N 3.13Å; I525-R527 PolarHBondContact O-N 3.26Å
528T48.8Very low59.6Low63 Ų6382.2 Ų82.239%0.38743%0.427SS..SBendtrans-112110.6-176.255.90000109.2L524 I525 T530L524-T528 HydrophobicContact CD2-CG2 4.49Å; L524-T528 PolarHBondContact O-N 2.92Å; L524-T528 PolarHBondContact O-OG1 3.26Å; I525-T528 PolarHBondContact O-N 3.43Å; I525-T528 VanDerWaalsContact O-O 3.07Å; T528-T530 PolarHBondContact O-N 3.48Å; T528-T530 PolarHBondContact O-OG1 3.46Å; T528-T530 VanDerWaalsContact O-OG1 3.12Å
529R54Low60.9Low240 Ų24084.7 Ų84.791%0.90644%0.437SS*.  trans-60.468.7174.6-68.3-173.8-174.2173.51111.3
530T56.4Low61.9Low61 Ų6183.9 Ų83.937%0.37443%0.426SS..  trans-96.1152.8175.947.90000107.8T528 L532 F533T528-T530 PolarHBondContact O-N 3.48Å; T528-T530 PolarHBondContact O-OG1 3.46Å; T528-T530 VanDerWaalsContact O-OG1 3.12Å; T530-L532 PolarHBondContact O-N 3.24Å; T530-F533 WeakPolarHBondContact O-CA 3.49Å; T530-F533 VanDerWaalsContact O-CB 3.24Å; T530-F533 WeakPolarHBondContact O-CB 3.37Å; T530-F533 PolarHBondContact O-N 2.88Å
531A58.6Low63Low86 Ų8684.6 Ų84.671%0.71143%0.429SS*.Hα-helixtrans-54.3-24.2177.700000113.2D534 L535A531-D534 PolarHBondContact O-N 2.99Å; A531-L535 PolarHBondContact O-N 3.34Å; A531-L535 VanDerWaalsContact O-N 3.12Å
532L59.7Low64.2Low75 Ų7590.2 Ų90.239%0.39345%0.453SS..Hα-helixtrans-65.9-37.3171.9-103.5161.5000113.2F175 T530 L535 I536F175-L532 HydrophobicContact CE1-CD1 3.98Å; F175-L532 HydrophobicContact CZ-CD1 4.39Å; T530-L532 PolarHBondContact O-N 3.24Å; L532-L535 PolarHBondContact O-N 3.2Å; L532-I536 HydrophobicContact CD2-CD1 4.18Å; L532-I536 WeakPolarHBondContact O-CB 3.16Å; L532-I536 VanDerWaalsContact O-CG1 3.31Å; L532-I536 WeakPolarHBondContact O-CG1 3.33Å; L532-I536 PolarHBondContact O-N 3.45Å
533F61.7Low65.6Low43 Ų4388.2 Ų88.219%0.18945%0.45CS..Hα-helixtrans-60.9-46.7174173.4-102000110.7I525 F526 T530 L535 I536 M537I525-F533 HydrophobicContact CG2-CB 3.97Å; I525-F533 HydrophobicContact CG2-CD2 4.23Å; I525-F533 VanDerWaalsContact O-CD2 3.25Å; I525-F533 WeakPolarHBondContact O-CD2 3.44Å; F526-F533 HydrophobicContact CD1-CD2 4.32Å; F526-F533 AromaticContact CD1-CE2 3.63Å; F526-F533 HydrophobicContact CD1-CE2 3.63Å; F526-F533 HydrophobicContact CE1-CE2 4.12Å; F526-F533 HydrophobicContact CG-CE2 4.46Å; T530-F533 WeakPolarHBondContact O-CA 3.49Å; T530-F533 VanDerWaalsContact O-CB 3.24Å; T530-F533 WeakPolarHBondContact O-CB 3.37Å; T530-F533 PolarHBondContact O-N 2.88Å; F533-L535 VanDerWaalsContact C-N 3.33Å; F533-L535 PolarHBondContact O-N 2.91Å; F533-I536 PolarHBondContact O-N 2.89Å; F533-M537 HydrophobicContact CD1-CG 4.19Å; F533-M537 HydrophobicContact CD2-CG 3.92Å; F533-M537 HydrophobicContact CE1-CG 3.78Å; F533-M537 HydrophobicContact CE2-CG 3.45Å; F533-M537 VanDerWaalsContact CE2-CG 3.45Å; F533-M537 HydrophobicContact CE2-SD 3.89Å; F533-M537 HydrophobicContact CG-CG 4.27Å; F533-M537 HydrophobicContact CZ-CG 3.4Å; F533-M537 VanDerWaalsContact CZ-CG 3.4Å; F533-M537 HydrophobicContact CZ-SD 4.01Å; F533-M537 VanDerWaalsContact O-CB 3.29Å; F533-M537 WeakPolarHBondContact O-CB 3.21Å; F533-M537 VanDerWaalsContact O-CG 3.29Å; F533-M537 WeakPolarHBondContact O-CG 3.48Å; F533-M537 PolarHBondContact O-N 3.5Å
534D70.2Confident66.9Low103 Ų10391.2 Ų91.255%0.55146%0.46SS*.Hα-helixtrans-63.7-39.6178.7-64.8-24000111.6A531 S538A531-D534 PolarHBondContact O-N 2.99Å; D534-S538 VanDerWaalsContact O-CB 3.22Å; D534-S538 WeakPolarHBondContact O-CB 3.32Å; D534-S538 PolarHBondContact O-N 2.86Å
535L72.6Confident68.3Low112 Ų11293 Ų9359%0.58647%0.47SS*.Hα-helixtrans-62.6-48.1174.9-171.5101.9000111.8A531 L532 F533 S538 L539A531-L535 PolarHBondContact O-N 3.34Å; A531-L535 VanDerWaalsContact O-N 3.12Å; L532-L535 PolarHBondContact O-N 3.2Å; F533-L535 VanDerWaalsContact C-N 3.33Å; F533-L535 PolarHBondContact O-N 2.91Å; L535-S538 PolarHBondContact O-N 3.48Å; L535-L539 WeakPolarHBondContact O-CB 3.39Å; L535-L539 PolarHBondContact O-N 3.39Å
536I74.5Confident69.9Low43 Ų4398.5 Ų98.522%0.22149%0.493CS..Hα-helixtrans-66.9-43.5-179.2-71164000110.3I525 L532 F533 S538 L539 I540I525-I536 HydrophobicContact CD1-CD1 3.98Å; I525-I536 HydrophobicContact CG2-CD1 3.92Å; L532-I536 HydrophobicContact CD2-CD1 4.18Å; L532-I536 WeakPolarHBondContact O-CB 3.16Å; L532-I536 VanDerWaalsContact O-CG1 3.31Å; L532-I536 WeakPolarHBondContact O-CG1 3.33Å; L532-I536 PolarHBondContact O-N 3.45Å; F533-I536 PolarHBondContact O-N 2.89Å; I536-S538 VanDerWaalsContact C-N 3.34Å; I536-S538 PolarHBondContact O-N 3.34Å; I536-L539 PolarHBondContact O-N 2.89Å; I536-L539 VanDerWaalsContact O-N 3.16Å; I536-I540 HydrophobicContact CG2-CD1 3.77Å; I536-I540 HydrophobicContact CG2-CG1 4.4Å; I536-I540 VanDerWaalsContact O-CG1 3.31Å; I536-I540 WeakPolarHBondContact O-CG1 3.37Å; I536-I540 PolarHBondContact O-N 3.17Å
537M73.1Confident71.4Confident58 Ų5896.3 Ų96.329%0.28649%0.493SS..Hα-helixtrans-62.1-41.8175.1-75.3-59-64.900111.6F526 F533 L539 I540 I541F526-M537 HydrophobicContact CE1-SD 3.85Å; F533-M537 HydrophobicContact CD1-CG 4.19Å; F533-M537 HydrophobicContact CD2-CG 3.92Å; F533-M537 HydrophobicContact CE1-CG 3.78Å; F533-M537 HydrophobicContact CE2-CG 3.45Å; F533-M537 VanDerWaalsContact CE2-CG 3.45Å; F533-M537 HydrophobicContact CE2-SD 3.89Å; F533-M537 HydrophobicContact CG-CG 4.27Å; F533-M537 HydrophobicContact CZ-CG 3.4Å; F533-M537 VanDerWaalsContact CZ-CG 3.4Å; F533-M537 HydrophobicContact CZ-SD 4.01Å; F533-M537 VanDerWaalsContact O-CB 3.29Å; F533-M537 WeakPolarHBondContact O-CB 3.21Å; F533-M537 VanDerWaalsContact O-CG 3.29Å; F533-M537 WeakPolarHBondContact O-CG 3.48Å; F533-M537 PolarHBondContact O-N 3.5Å; M537-L539 VanDerWaalsContact C-N 3.27Å; M537-L539 PolarHBondContact O-N 2.88Å; M537-I540 PolarHBondContact O-N 2.61Å; M537-I540 HydrophobicContact SD-CD1 4.5Å; M537-I541 WeakPolarHBondContact O-CB 3.2Å; M537-I541 WeakPolarHBondContact O-CD1 3.33Å; M537-I541 WeakPolarHBondContact O-CG1 3.28Å; M537-I541 PolarHBondContact O-N 3.3Å
538S75.9Confident73.2Confident77 Ų7792 Ų9254%0.53848%0.481SS..Hα-helixtrans-60.2-39174.2-1740000111.7D534 L535 I536 F542D534-S538 VanDerWaalsContact O-CB 3.22Å; D534-S538 WeakPolarHBondContact O-CB 3.32Å; D534-S538 PolarHBondContact O-N 2.86Å; L535-S538 PolarHBondContact O-N 3.48Å; I536-S538 VanDerWaalsContact C-N 3.34Å; I536-S538 PolarHBondContact O-N 3.34Å; S538-F542 VanDerWaalsContact O-CB 3.24Å; S538-F542 WeakPolarHBondContact O-CB 3.31Å; S538-F542 PolarHBondContact O-N 2.87Å
539L80.8Confident74.8Confident116 Ų11694.7 Ų94.761%0.60749%0.49SS*.Hα-helixtrans-70.8-40.4179.3-147.5157.5000111.4L535 I536 M537 F542 A543L535-L539 WeakPolarHBondContact O-CB 3.39Å; L535-L539 PolarHBondContact O-N 3.39Å; I536-L539 PolarHBondContact O-N 2.89Å; I536-L539 VanDerWaalsContact O-N 3.16Å; M537-L539 VanDerWaalsContact C-N 3.27Å; M537-L539 PolarHBondContact O-N 2.88Å; L539-F542 PolarHBondContact O-N 3.49Å; L539-A543 WeakPolarHBondContact O-CB 3.05Å; L539-A543 PolarHBondContact O-N 3.32Å
540I81.5Confident76.2Confident81 Ų8185.3 Ų85.342%0.41546%0.463SS..Hα-helixtrans-64.7-46174.6-67.7167.7000110.7F526 I536 M537 F542 A543 Y544F526-I540 HydrophobicContact CZ-CD1 4.44Å; I536-I540 HydrophobicContact CG2-CD1 3.77Å; I536-I540 HydrophobicContact CG2-CG1 4.4Å; I536-I540 VanDerWaalsContact O-CG1 3.31Å; I536-I540 WeakPolarHBondContact O-CG1 3.37Å; I536-I540 PolarHBondContact O-N 3.17Å; M537-I540 PolarHBondContact O-N 2.61Å; M537-I540 HydrophobicContact SD-CD1 4.5Å; I540-F542 VanDerWaalsContact C-N 3.33Å; I540-F542 PolarHBondContact O-N 3.19Å; I540-A543 PolarHBondContact O-N 2.71Å; I540-Y544 WeakPolarHBondContact O-CB 3.36Å; I540-Y544 PolarHBondContact O-N 3.38Å
541I81.4Confident77.6Confident87 Ų8785.7 Ų85.745%0.44647%0.465SS..Hα-helixtrans-61.7-43.7177.1-68.8163.7000110M537 Y544 L545M537-I541 WeakPolarHBondContact O-CB 3.2Å; M537-I541 WeakPolarHBondContact O-CD1 3.33Å; M537-I541 WeakPolarHBondContact O-CG1 3.28Å; M537-I541 PolarHBondContact O-N 3.3Å; I541-Y544 PolarHBondContact O-N 3.32Å; I541-L545 HydrophobicContact CG2-CD1 4Å; I541-L545 HydrophobicContact CG2-CG 4.38Å; I541-L545 WeakPolarHBondContact O-CB 3.31Å; I541-L545 WeakPolarHBondContact O-CG 3.47Å; I541-L545 PolarHBondContact O-N 3.33Å
542F80.3Confident78.7Confident146 Ų14686 Ų8664%0.6446%0.458SS*.Hα-helixtrans-61.3-45.6176.4-174.1-94.4000112S538 L539 I540 Y544 L545 F546S538-F542 VanDerWaalsContact O-CB 3.24Å; S538-F542 WeakPolarHBondContact O-CB 3.31Å; S538-F542 PolarHBondContact O-N 2.87Å; L539-F542 PolarHBondContact O-N 3.49Å; I540-F542 VanDerWaalsContact C-N 3.33Å; I540-F542 PolarHBondContact O-N 3.19Å; F542-Y544 VanDerWaalsContact C-N 3.35Å; F542-Y544 PolarHBondContact O-N 2.92Å; F542-L545 PolarHBondContact O-N 3.26Å; F542-F546 VanDerWaalsContact O-CB 3.31Å; F542-F546 WeakPolarHBondContact O-CB 3.48Å; F542-F546 PolarHBondContact O-N 3.43Å
543A85.3Confident79.7Confident51 Ų5185.3 Ų85.342%0.42146%0.457SS..Hα-helixtrans-63.5-39.3176.900000112.4L539 I540 F546 A547L539-A543 WeakPolarHBondContact O-CB 3.05Å; L539-A543 PolarHBondContact O-N 3.32Å; I540-A543 PolarHBondContact O-N 2.71Å; A543-F546 PolarHBondContact O-N 2.86Å; A543-A547 WeakPolarHBondContact O-CB 3.32Å; A543-A547 PolarHBondContact O-N 2.99Å
544Y83.9Confident80.7Confident122 Ų12291.1 Ų91.148%0.47848%0.479SS..Hα-helixtrans-65.2-47.4176.4175.8-103.4000112.1I540 I541 F542 F546 A547 L548I540-Y544 WeakPolarHBondContact O-CB 3.36Å; I540-Y544 PolarHBondContact O-N 3.38Å; I541-Y544 PolarHBondContact O-N 3.32Å; F542-Y544 VanDerWaalsContact C-N 3.35Å; F542-Y544 PolarHBondContact O-N 2.92Å; Y544-F546 VanDerWaalsContact C-N 3.29Å; Y544-F546 PolarHBondContact O-N 2.89Å; Y544-A547 PolarHBondContact O-N 3.23Å; Y544-L548 HydrophobicContact CD1-CD1 4Å; Y544-L548 HydrophobicContact CE1-CD1 3.32Å; Y544-L548 HydrophobicContact CE1-CG 4.29Å; Y544-L548 HydrophobicContact CE2-CD1 4.28Å; Y544-L548 HydrophobicContact CE2-CG 4.48Å; Y544-L548 VanDerWaalsContact CZ-CD1 3.49Å; Y544-L548 PolarHBondContact O-N 3.35Å
545L83.7Confident81.3Confident104 Ų10489.8 Ų89.855%0.54547%0.471SS..Hα-helixtrans-62-38.6175.7-72.4177000111.6I541 F542 L548 H549I541-L545 HydrophobicContact CG2-CD1 4Å; I541-L545 HydrophobicContact CG2-CG 4.38Å; I541-L545 WeakPolarHBondContact O-CB 3.31Å; I541-L545 WeakPolarHBondContact O-CG 3.47Å; I541-L545 PolarHBondContact O-N 3.33Å; F542-L545 PolarHBondContact O-N 3.26Å; L545-L548 PolarHBondContact O-N 3.49Å; L545-H549 WeakPolarHBondContact O-CB 3.35Å; L545-H549 PolarHBondContact O-N 3.49Å
546F84.9Confident81.4Confident138 Ų13887.6 Ų87.661%0.60547%0.465SS*.Hα-helixtrans-64.9-43.6175.1-174-95.7000112.1F542 A543 Y544 H549 A550F542-F546 VanDerWaalsContact O-CB 3.31Å; F542-F546 WeakPolarHBondContact O-CB 3.48Å; F542-F546 PolarHBondContact O-N 3.43Å; A543-F546 PolarHBondContact O-N 2.86Å; Y544-F546 VanDerWaalsContact C-N 3.29Å; Y544-F546 PolarHBondContact O-N 2.89Å; F546-H549 PolarHBondContact O-N 3.14Å; F546-A550 WeakPolarHBondContact O-CB 3.28Å; F546-A550 PolarHBondContact O-N 3.42Å
547A85.6Confident81.5Confident51 Ų5194.6 Ų94.642%0.42149%0.489SS..Hα-helixtrans-63.8-43.4176.300000111.9A543 Y544 H549 A550 V551A543-A547 WeakPolarHBondContact O-CB 3.32Å; A543-A547 PolarHBondContact O-N 2.99Å; Y544-A547 PolarHBondContact O-N 3.23Å; A547-H549 PolarHBondContact O-N 2.86Å; A547-A550 WeakPolarHBondContact O-CB 3.36Å; A547-A550 PolarHBondContact O-N 3.24Å; A547-V551 WeakPolarHBondContact O-CG2 3.42Å; A547-V551 PolarHBondContact O-N 3.46Å
548L84.8Confident81.6Confident74 Ų7494.5 Ų94.539%0.38749%0.493SS..Hα-helixtrans-59.6-46.1173.3-90.5173000111.6Y544 L545 A550 V551 V552Y544-L548 HydrophobicContact CD1-CD1 4Å; Y544-L548 HydrophobicContact CE1-CD1 3.32Å; Y544-L548 HydrophobicContact CE1-CG 4.29Å; Y544-L548 HydrophobicContact CE2-CD1 4.28Å; Y544-L548 HydrophobicContact CE2-CG 4.48Å; Y544-L548 VanDerWaalsContact CZ-CD1 3.49Å; Y544-L548 PolarHBondContact O-N 3.35Å; L545-L548 PolarHBondContact O-N 3.49Å; L548-A550 VanDerWaalsContact C-N 3.32Å; L548-A550 PolarHBondContact O-N 2.93Å; L548-V551 PolarHBondContact O-N 3.42Å; L548-V552 WeakPolarHBondContact O-CG2 3.47Å; L548-V552 PolarHBondContact O-N 3.01Å
549H82.6Confident81.5Confident121 Ų12196.3 Ų96.356%0.5649%0.493SS*.Hα-helixtrans-59.7-45.6177.2-173.447.2000111.1L545 F546 A547 V551 V552 T553L545-H549 WeakPolarHBondContact O-CB 3.35Å; L545-H549 PolarHBondContact O-N 3.49Å; F546-H549 PolarHBondContact O-N 3.14Å; A547-H549 PolarHBondContact O-N 2.86Å; H549-V551 VanDerWaalsContact C-N 3.35Å; H549-V551 PolarHBondContact O-N 3.37Å; H549-V552 PolarHBondContact O-N 3.03Å; H549-T553 PolarHBondContact O-N 3.01Å; H549-T553 PolarHBondContact O-OG1 3.37Å
550A83.1Confident81.1Confident43 Ų43100.4 Ų100.436%0.35550%0.501SS..Hα-helixtrans-57.6-44.6176.600000112.2F546 A547 L548 T553 Y554F546-A550 WeakPolarHBondContact O-CB 3.28Å; F546-A550 PolarHBondContact O-N 3.42Å; A547-A550 WeakPolarHBondContact O-CB 3.36Å; A547-A550 PolarHBondContact O-N 3.24Å; L548-A550 VanDerWaalsContact C-N 3.32Å; L548-A550 PolarHBondContact O-N 2.93Å; A550-T553 VanDerWaalsContact CA-OG1 3.28Å; A550-T553 WeakPolarHBondContact CA-OG1 3.47Å; A550-T553 PolarHBondContact O-N 2.86Å; A550-T553 PolarHBondContact O-OG1 2.92Å; A550-Y554 WeakPolarHBondContact O-CB 3.33Å; A550-Y554 PolarHBondContact O-N 3.19Å
551V84.7Confident80.7Confident69 Ų69101.1 Ų101.142%0.41851%0.508SS..Hα-helixtrans-63.1-44.6177171.40000111.5A547 L548 H549 T553 Y554 I555A547-V551 WeakPolarHBondContact O-CG2 3.42Å; A547-V551 PolarHBondContact O-N 3.46Å; L548-V551 PolarHBondContact O-N 3.42Å; H549-V551 VanDerWaalsContact C-N 3.35Å; H549-V551 PolarHBondContact O-N 3.37Å; V551-T553 PolarHBondContact O-N 3.49Å; V551-Y554 WeakPolarHBondContact O-CB 3.43Å; V551-Y554 PolarHBondContact O-N 2.81Å; V551-Y554 VanDerWaalsContact O-N 3.15Å; V551-I555 HydrophobicContact CG1-CD1 3.81Å; V551-I555 HydrophobicContact CG1-CG1 4.42Å; V551-I555 WeakPolarHBondContact O-CG1 3.22Å; V551-I555 PolarHBondContact O-N 3.4Å
552V81.8Confident80.3Confident91 Ų9199.3 Ų99.355%0.55251%0.506SS*.Hα-helixtrans-63.8-42.2177.2176.10000111.3L548 H549 Y554 I555 S556L548-V552 WeakPolarHBondContact O-CG2 3.47Å; L548-V552 PolarHBondContact O-N 3.01Å; H549-V552 PolarHBondContact O-N 3.03Å; V552-Y554 VanDerWaalsContact C-N 3.29Å; V552-Y554 PolarHBondContact O-N 3.5Å; V552-I555 PolarHBondContact O-N 2.91Å; V552-S556 WeakPolarHBondContact O-CB 3.42Å; V552-S556 PolarHBondContact O-N 2.64Å; V552-S556 PolarHBondContact O-OG 2.68Å
553T82Confident79.8Confident62 Ų6294.6 Ų94.638%0.3850%0.495SS..Hα-helixtrans-65.1-31.6173.334.50000113H549 A550 V551 S556 R557H549-T553 PolarHBondContact O-N 3.01Å; H549-T553 PolarHBondContact O-OG1 3.37Å; A550-T553 VanDerWaalsContact CA-OG1 3.28Å; A550-T553 WeakPolarHBondContact CA-OG1 3.47Å; A550-T553 PolarHBondContact O-N 2.86Å; A550-T553 PolarHBondContact O-OG1 2.92Å; V551-T553 PolarHBondContact O-N 3.49Å; T553-S556 VanDerWaalsContact CA-OG 3.3Å; T553-S556 WeakPolarHBondContact CA-OG 3.4Å; T553-S556 PolarHBondContact O-OG 3.42Å; T553-R557 WeakPolarHBondContact O-CB 3.27Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-N 2.88Å; T553-R557 VanDerWaalsContact O-N 3.12Å
554Y83.2Confident79.1Confident165 Ų16594.4 Ų94.465%0.64749%0.49SS*.Hα-helixtrans-71.1-46.6175.9-171.9-99.8000111.5A550 V551 V552 S556 R557 C558A550-Y554 WeakPolarHBondContact O-CB 3.33Å; A550-Y554 PolarHBondContact O-N 3.19Å; V551-Y554 WeakPolarHBondContact O-CB 3.43Å; V551-Y554 PolarHBondContact O-N 2.81Å; V551-Y554 VanDerWaalsContact O-N 3.15Å; V552-Y554 VanDerWaalsContact C-N 3.29Å; V552-Y554 PolarHBondContact O-N 3.5Å; Y554-S556 PolarHBondContact O-N 3.13Å; Y554-R557 PolarHBondContact O-N 3.17Å; Y554-C558 PolarHBondContact O-N 2.94Å; Y554-C558 PolarHBondContact O-SG 2.9Å
555I81.5Confident78.3Confident75 Ų7591.3 Ų91.339%0.38549%0.486SS..Hα-helixtrans-61.5-44.1177.5-68.3169.3000110.9V551 V552 R557 C558 H559V551-I555 HydrophobicContact CG1-CD1 3.81Å; V551-I555 HydrophobicContact CG1-CG1 4.42Å; V551-I555 WeakPolarHBondContact O-CG1 3.22Å; V551-I555 PolarHBondContact O-N 3.4Å; V552-I555 PolarHBondContact O-N 2.91Å; I555-R557 PolarHBondContact O-N 2.96Å; I555-C558 WeakPolarHBondContact O-CB 3.42Å; I555-C558 PolarHBondContact O-N 3.06Å; I555-H559 PolarHBondContact O-CD2 2.81Å; I555-H559 PolarHBondContact O-N 3.48Å
556S75.7Confident77.5Confident66 Ų6692.4 Ų92.446%0.46249%0.489SS..Hα-helixtrans-63.9-38.7176.751.70000112.7V552 T553 Y554 H559 W560V552-S556 WeakPolarHBondContact O-CB 3.42Å; V552-S556 PolarHBondContact O-N 2.64Å; V552-S556 PolarHBondContact O-OG 2.68Å; T553-S556 VanDerWaalsContact CA-OG 3.3Å; T553-S556 WeakPolarHBondContact CA-OG 3.4Å; T553-S556 PolarHBondContact O-OG 3.42Å; Y554-S556 PolarHBondContact O-N 3.13Å; S556-H559 PolarHBondContact O-N 3.29Å; S556-W560 WeakPolarHBondContact O-CB 3.32Å; S556-W560 PolarHBondContact O-N 3.38Å
557R75.7Confident76.5Confident190 Ų19091.4 Ų91.472%0.71749%0.49SS*.Hα-helixtrans-61.8-43.6170.6-82.4-178.4170.7-172.9-1.5112.2T553 Y554 I555 W560 V561T553-R557 WeakPolarHBondContact O-CB 3.27Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-N 2.88Å; T553-R557 VanDerWaalsContact O-N 3.12Å; Y554-R557 PolarHBondContact O-N 3.17Å; I555-R557 PolarHBondContact O-N 2.96Å; R557-W560 PolarHBondContact O-N 3Å; R557-V561 WeakPolarHBondContact O-CG2 3.41Å; R557-V561 PolarHBondContact O-N 3.36Å
558C75.1Confident75.4Confident56 Ų5698.2 Ų98.238%0.37850%0.504SS..Hα-helixtrans-62.2-42.5176.9-700000112.2Y554 I555 W560 V561 A562Y554-C558 PolarHBondContact O-N 2.94Å; Y554-C558 PolarHBondContact O-SG 2.9Å; I555-C558 WeakPolarHBondContact O-CB 3.42Å; I555-C558 PolarHBondContact O-N 3.06Å; C558-W560 VanDerWaalsContact C-N 3.34Å; C558-W560 PolarHBondContact O-N 3.45Å; C558-V561 PolarHBondContact O-N 2.91Å; C558-A562 WeakPolarHBondContact O-CB 3.36Å; C558-A562 PolarHBondContact O-N 2.91Å
559H73.7Confident74.3Confident115 Ų115100.7 Ų100.753%0.53252%0.517SS..Hα-helixtrans-63.7-39.1174.7-86.9-74.3000112.5I555 S556 A562 A563I555-H559 PolarHBondContact O-CD2 2.81Å; I555-H559 PolarHBondContact O-N 3.48Å; S556-H559 PolarHBondContact O-N 3.29Å; H559-A562 PolarHBondContact O-N 3.06Å; H559-A563 VanDerWaalsContact O-CB 3.32Å; H559-A563 WeakPolarHBondContact O-CB 3.42Å; H559-A563 PolarHBondContact O-N 3.3Å
560W72.5Confident73.5Confident202 Ų202103.1 Ų103.177%0.76553%0.526SS*.Hα-helixtrans-65.7-40.8177.7-14989.9000111.7S556 R557 C558 S564S556-W560 WeakPolarHBondContact O-CB 3.32Å; S556-W560 PolarHBondContact O-N 3.38Å; R557-W560 PolarHBondContact O-N 3Å; C558-W560 VanDerWaalsContact C-N 3.34Å; C558-W560 PolarHBondContact O-N 3.45Å; W560-S564 WeakPolarHBondContact O-CB 3.39Å; W560-S564 PolarHBondContact O-N 3.12Å
561V74.1Confident72.5Confident95 Ų95105.3 Ų105.358%0.57655%0.545SS*.Hα-helixtrans-64.5-45.6173.9174.10000110.9R557 C558 A563 S564 S565R557-V561 WeakPolarHBondContact O-CG2 3.41Å; R557-V561 PolarHBondContact O-N 3.36Å; C558-V561 PolarHBondContact O-N 2.91Å; V561-A563 PolarHBondContact O-N 3.5Å; V561-S564 PolarHBondContact O-N 2.96Å; V561-S564 PolarHBondContact O-OG 3.32Å; V561-S565 PolarHBondContact O-N 2.91Å
562A72.1Confident71.1Confident49 Ų49111.5 Ų111.541%0.40557%0.574SS.*Hα-helixtrans-62.1-44.6177.900000112.2C558 H559 S564 S565 Q566C558-A562 WeakPolarHBondContact O-CB 3.36Å; C558-A562 PolarHBondContact O-N 2.91Å; H559-A562 PolarHBondContact O-N 3.06Å; A562-S564 VanDerWaalsContact C-N 3.32Å; A562-S564 PolarHBondContact O-N 3.05Å; A562-S565 WeakPolarHBondContact CA-OG 3.4Å; A562-S565 PolarHBondContact O-N 3.3Å; A562-S565 PolarHBondContact O-OG 2.99Å; A562-Q566 PolarHBondContact O-N 3.42Å
563A69.8Low70.5Confident48 Ų48112.5 Ų112.540%0.39758%0.575SS.*Hα-helixtrans-62.6-38.9175.800000111.9H559 V561 S565 Q566 N567H559-A563 VanDerWaalsContact O-CB 3.32Å; H559-A563 WeakPolarHBondContact O-CB 3.42Å; H559-A563 PolarHBondContact O-N 3.3Å; V561-A563 PolarHBondContact O-N 3.5Å; A563-S565 VanDerWaalsContact C-N 3.34Å; A563-S565 PolarHBondContact O-N 3.4Å; A563-Q566 PolarHBondContact O-N 2.88Å; A563-N567 PolarHBondContact O-N 3.41Å
564S70.7Confident69.9Low46 Ų46115.2 Ų115.232%0.32259%0.585SS.*Hα-helixtrans-65.7-35.6175.279.50000112.6W560 V561 A562 R568W560-S564 WeakPolarHBondContact O-CB 3.39Å; W560-S564 PolarHBondContact O-N 3.12Å; V561-S564 PolarHBondContact O-N 2.96Å; V561-S564 PolarHBondContact O-OG 3.32Å; A562-S564 VanDerWaalsContact C-N 3.32Å; A562-S564 PolarHBondContact O-N 3.05Å; S564-R568 WeakPolarHBondContact O-CG 3.5Å; S564-R568 PolarHBondContact O-N 3.26Å; S564-R568 VanDerWaalsContact O-N 3.13Å
565S66Low69.2Low57 Ų57112.4 Ų112.440%0.39958%0.582SS.*Hα-helixtrans-70.9-37.1174.362.60000112.9V561 A562 A563 R568 L569V561-S565 PolarHBondContact O-N 2.91Å; A562-S565 WeakPolarHBondContact CA-OG 3.4Å; A562-S565 PolarHBondContact O-N 3.3Å; A562-S565 PolarHBondContact O-OG 2.99Å; A563-S565 VanDerWaalsContact C-N 3.34Å; A563-S565 PolarHBondContact O-N 3.4Å; S565-R568 PolarHBondContact O-N 3.35Å; S565-L569 WeakPolarHBondContact O-CB 3.21Å; S565-L569 PolarHBondContact O-N 3.2Å
566Q67.1Low68.5Low128 Ų128114.6 Ų114.660%0.59859%0.594SS**Hα-helixtrans-69.7-36.7178.4-127.1179.1-3.800111.8A562 A563 L569 K570A562-Q566 PolarHBondContact O-N 3.42Å; A563-Q566 PolarHBondContact O-N 2.88Å; Q566-L569 PolarHBondContact O-N 3.47Å; Q566-K570 PolarHBondContact O-N 3.06Å
567N64.8Low68Low117 Ų117117.6 Ų117.663%0.62660%0.602SS**Hα-helixtrans-69.1-33.7173.2-78-12.1000112.3A563 K570 A571A563-N567 PolarHBondContact O-N 3.41Å; N567-K570 PolarHBondContact O-N 3.39Å; N567-A571 WeakPolarHBondContact O-CB 3.46Å; N567-A571 PolarHBondContact O-N 2.94Å
568R61.7Low67.5Low194 Ų194112.8 Ų112.873%0.73259%0.594SS**Hα-helixtrans-68.2-37.4171.7-76.3-175.9-174.4-158.12.1112.6S564 S565 K570 A571 L572S564-R568 WeakPolarHBondContact O-CG 3.5Å; S564-R568 PolarHBondContact O-N 3.26Å; S564-R568 VanDerWaalsContact O-N 3.13Å; S565-R568 PolarHBondContact O-N 3.35Å; R568-K570 VanDerWaalsContact C-N 3.32Å; R568-A571 PolarHBondContact O-N 2.71Å; R568-L572 PolarHBondContact O-N 2.86Å
569L62.1Low67Low125 Ų125116.9 Ų116.965%0.65461%0.61SS**Hα-helixtrans-72.1-21.3176.2-88.8156000114S565 Q566S565-L569 WeakPolarHBondContact O-CB 3.21Å; S565-L569 PolarHBondContact O-N 3.2Å; Q566-L569 PolarHBondContact O-N 3.47Å
570K66Low66.5Low172 Ų172117 Ų11775%0.74862%0.615SS**Hα-helixtrans-89.5-13.8172.3-75.5-177176-178.60113.8Q566 N567 R568Q566-K570 PolarHBondContact O-N 3.06Å; N567-K570 PolarHBondContact O-N 3.39Å; R568-K570 VanDerWaalsContact C-N 3.32Å
571A62.2Low66Low90 Ų90109.9 Ų109.974%0.74460%0.603SS**Hα-helixtrans-95.7-12.1177.600000113N567 R568N567-A571 WeakPolarHBondContact O-CB 3.46Å; N567-A571 PolarHBondContact O-N 2.94Å; R568-A571 PolarHBondContact O-N 2.71Å
572L54.7Low65.2Low198 Ų198111.3 Ų111.3100%1.03761%0.606SS**  trans-91.40161.8-75.6161000108.6R568R568-L572 PolarHBondContact O-N 2.86Å

Retrieved 572 of 572 residues in 170.3 ms (Link to these results)

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