A0A077ZE15_TRITR Loading...

S adenosylmethionine mitochondrial carrier

AlphaFold DB , UniProt , Accession A0A077ZE15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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
1M51.6Low65.4Low140 Ų14071.5 Ų71.569%0.6938%0.384SS*.  0130.60-68.6168.880.700108.7E5 R6 F9M1-E5 WeakPolarHBondContact CA-OE2 3.35Å; M1-E5 HydrophobicContact CB-CB 4.13Å; M1-E5 HydrophobicContact CE-CB 4.31Å; M1-R6 HydrophobicContact CB-CG 3.83Å; M1-R6 HydrophobicContact CE-CG 4.47Å; M1-F9 HydrophobicContact CE-CB 4.12Å; M1-F9 HydrophobicContact CE-CD2 3.06Å; M1-F9 HydrophobicContact CE-CE2 3.58Å; M1-F9 HydrophobicContact CE-CG 3.78Å
2S57.9Low66.3Low57 Ų5773.2 Ų73.240%0.39939%0.392SS..  trans-61.4159.3170.468.20000110.7A4 E5 R6S2-A4 PolarHBondContact O-N 3.27Å; S2-E5 PolarHBondContact N-OE2 3.17Å; S2-E5 PolarHBondContact O-N 3.22Å; S2-E5 VanDerWaalsContact O-N 3.15Å; S2-E5 VanDerWaalsContact OG-CG 3.27Å; S2-E5 WeakPolarHBondContact OG-CG 3.25Å; S2-E5 PolarHBondContact OG-N 3.37Å; S2-E5 VanDerWaalsContact OG-N 3.12Å; S2-E5 PolarHBondContact OG-OE2 3.32Å; S2-R6 PolarHBondContact O-N 3.5Å
3S65.4Low67.4Low57 Ų5777 Ų7740%0.39940%0.404SS..Hα-helixtrans-58.7-33.8175-62.40000112.4R6 G7 H389S3-R6 PolarHBondContact O-N 2.91Å; S3-R6 PolarHBondContact OG-NH2 3.15Å; S3-R6 VanDerWaalsContact OG-NH2 3.1Å; S3-G7 PolarHBondContact O-N 2.98Å; S3-H389 VanDerWaalsContact CB-NE2 3.31Å; S3-H389 WeakPolarHBondContact CB-NE2 3.41Å
4A57.7Low68.3Low58 Ų5871.5 Ų71.548%0.47938%0.375SS..Hα-helixtrans-66-43.6173.600000112.4S2 G7 F8S2-A4 PolarHBondContact O-N 3.27Å; A4-G7 PolarHBondContact O-N 2.66Å; A4-F8 WeakPolarHBondContact O-CB 3.22Å; A4-F8 PolarHBondContact O-N 3.47Å
5E66.3Low68.9Low80 Ų8068.1 Ų68.137%0.37436%0.364SS..Hα-helixtrans-61.8-46.7174.3-74.5164.8174.400110.6M1 S2 G7 F8 F9M1-E5 WeakPolarHBondContact CA-OE2 3.35Å; M1-E5 HydrophobicContact CB-CB 4.13Å; M1-E5 HydrophobicContact CE-CB 4.31Å; S2-E5 PolarHBondContact N-OE2 3.17Å; S2-E5 PolarHBondContact O-N 3.22Å; S2-E5 VanDerWaalsContact O-N 3.15Å; S2-E5 VanDerWaalsContact OG-CG 3.27Å; S2-E5 WeakPolarHBondContact OG-CG 3.25Å; S2-E5 PolarHBondContact OG-N 3.37Å; S2-E5 VanDerWaalsContact OG-N 3.12Å; S2-E5 PolarHBondContact OG-OE2 3.32Å; E5-G7 VanDerWaalsContact C-N 3.34Å; E5-G7 PolarHBondContact O-N 2.89Å; E5-F8 PolarHBondContact O-N 3.37Å; E5-F9 WeakPolarHBondContact O-CD2 3.3Å; E5-F9 PolarHBondContact O-N 2.92Å
6R65.4Low69.7Low119 Ų11967.6 Ų67.645%0.44937%0.372SS..Hα-helixtrans-56.9-46.6176.3-74.3-174.5-70.9-174.81.7111.8M1 S2 S3 F8 F9 A10 F266M1-R6 HydrophobicContact CB-CG 3.83Å; M1-R6 HydrophobicContact CE-CG 4.47Å; S2-R6 PolarHBondContact O-N 3.5Å; S3-R6 PolarHBondContact O-N 2.91Å; S3-R6 PolarHBondContact OG-NH2 3.15Å; S3-R6 VanDerWaalsContact OG-NH2 3.1Å; R6-F8 PolarHBondContact O-N 3.18Å; R6-F9 PolarHBondContact O-N 3.36Å; R6-A10 VanDerWaalsContact O-CB 3.22Å; R6-A10 WeakPolarHBondContact O-CB 3.37Å; R6-A10 PolarHBondContact O-N 2.97Å; R6-F266 HydrophobicContact CB-CE1 3.9Å; R6-F266 HydrophobicContact CB-CZ 4.45Å; R6-F266 HydrophobicContact CG-CE1 4.28Å
7G67.8Low70.6Confident22 Ų2269.1 Ų69.123%0.22737%0.374CS..Hα-helixtrans-63.3-37.6176.900000113.8S3 A4 E5 A10 S11S3-G7 PolarHBondContact O-N 2.98Å; A4-G7 PolarHBondContact O-N 2.66Å; E5-G7 VanDerWaalsContact C-N 3.34Å; E5-G7 PolarHBondContact O-N 2.89Å; G7-A10 WeakPolarHBondContact O-CB 3.36Å; G7-S11 WeakPolarHBondContact O-CB 3.4Å; G7-S11 PolarHBondContact O-N 2.95Å; G7-S11 PolarHBondContact O-OG 3.09Å
8F68.7Low71.5Confident131 Ų13165.3 Ų65.358%0.57535%0.354SS*.Hα-helixtrans-64.5-51.2174.7175.6-98.3000111.6A4 E5 R6 A10 S11 L12A4-F8 WeakPolarHBondContact O-CB 3.22Å; A4-F8 PolarHBondContact O-N 3.47Å; E5-F8 PolarHBondContact O-N 3.37Å; R6-F8 PolarHBondContact O-N 3.18Å; F8-A10 VanDerWaalsContact C-N 3.32Å; F8-A10 PolarHBondContact O-N 3.33Å; F8-S11 PolarHBondContact O-N 3.18Å; F8-L12 HydrophobicContact CE1-CD2 4.23Å; F8-L12 WeakPolarHBondContact O-CB 3.43Å; F8-L12 PolarHBondContact O-N 3.16Å
9F72.9Confident72.2Confident85 Ų8562.9 Ų62.937%0.37335%0.346SS..Hα-helixtrans-64.8-37.3177.9-77.4-76.4000111.8M1 E5 R6 S11 L12 F13M1-F9 HydrophobicContact CE-CB 4.12Å; M1-F9 HydrophobicContact CE-CD2 3.06Å; M1-F9 HydrophobicContact CE-CE2 3.58Å; M1-F9 HydrophobicContact CE-CG 3.78Å; E5-F9 WeakPolarHBondContact O-CD2 3.3Å; E5-F9 PolarHBondContact O-N 2.92Å; R6-F9 PolarHBondContact O-N 3.36Å; F9-S11 PolarHBondContact O-N 3.28Å; F9-L12 PolarHBondContact O-N 3.1Å; F9-F13 HydrophobicContact CB-CD2 4.31Å; F9-F13 HydrophobicContact CB-CE2 4.42Å; F9-F13 AromaticContact CD1-CE2 3.97Å; F9-F13 HydrophobicContact CD1-CE2 3.97Å; F9-F13 WeakPolarHBondContact O-CB 3.27Å; F9-F13 WeakPolarHBondContact O-CD2 3.21Å; F9-F13 PolarHBondContact O-N 3.13Å
10A73.1Confident72.9Confident3 Ų363.9 Ų63.93%0.02535%0.351CS..Hα-helixtrans-54.7-52.2172.200000111.5R6 G7 F8 L12 S14 F266R6-A10 VanDerWaalsContact O-CB 3.22Å; R6-A10 WeakPolarHBondContact O-CB 3.37Å; R6-A10 PolarHBondContact O-N 2.97Å; G7-A10 WeakPolarHBondContact O-CB 3.36Å; F8-A10 VanDerWaalsContact C-N 3.32Å; F8-A10 PolarHBondContact O-N 3.33Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.29Å; A10-S14 WeakPolarHBondContact O-CB 3.3Å; A10-S14 PolarHBondContact O-N 3.48Å; A10-S14 PolarHBondContact O-OG 3.34Å; A10-F266 HydrophobicContact CB-CD2 3.28Å; A10-F266 HydrophobicContact CB-CE2 3.08Å; A10-F266 HydrophobicContact CB-CG 4.2Å; A10-F266 HydrophobicContact CB-CZ 3.81Å
11S72.8Confident73.7Confident34 Ų3462.6 Ų62.624%0.23834%0.344CS..Hα-helixtrans-66.4-39-178.2-54.50000111.3G7 F8 F9 G15 Y258G7-S11 WeakPolarHBondContact O-CB 3.4Å; G7-S11 PolarHBondContact O-N 2.95Å; G7-S11 PolarHBondContact O-OG 3.09Å; F8-S11 PolarHBondContact O-N 3.18Å; F9-S11 PolarHBondContact O-N 3.28Å; S11-G15 WeakPolarHBondContact O-CA 3.4Å; S11-G15 PolarHBondContact O-N 3.35Å; S11-Y258 WeakPolarHBondContact CA-OH 3.38Å; S11-Y258 WeakPolarHBondContact CB-OH 3.14Å; S11-Y258 PolarHBondContact OG-OH 3.19Å
12L75.6Confident75.5Confident92 Ų9256.3 Ų56.348%0.48231%0.314SS..Hα-helixtrans-64.1-52.5177.9-177.365.7000111.9F8 F9 A10 G15 A16F8-L12 HydrophobicContact CE1-CD2 4.23Å; F8-L12 WeakPolarHBondContact O-CB 3.43Å; F8-L12 PolarHBondContact O-N 3.16Å; F9-L12 PolarHBondContact O-N 3.1Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.29Å; L12-G15 PolarHBondContact O-N 3.22Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 2.68Å
13F80.7Confident76.9Confident123 Ų12355.3 Ų55.354%0.53930%0.304SS..Hα-helixtrans-68.9-42-179.7-78.7-67.4000112F9 G15 A16 F17 L265F9-F13 HydrophobicContact CB-CD2 4.31Å; F9-F13 HydrophobicContact CB-CE2 4.42Å; F9-F13 AromaticContact CD1-CE2 3.97Å; F9-F13 HydrophobicContact CD1-CE2 3.97Å; F9-F13 WeakPolarHBondContact O-CB 3.27Å; F9-F13 WeakPolarHBondContact O-CD2 3.21Å; F9-F13 PolarHBondContact O-N 3.13Å; F13-G15 VanDerWaalsContact C-N 3.33Å; F13-G15 PolarHBondContact O-N 2.93Å; F13-A16 PolarHBondContact O-N 2.85Å; F13-F17 VanDerWaalsContact O-CB 3.25Å; F13-F17 WeakPolarHBondContact O-CB 3.39Å; F13-F17 PolarHBondContact O-N 2.88Å; F13-L265 HydrophobicContact CB-CD1 3.79Å
14S80Confident78.1Confident0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-64.5-40.2177.3-54.40000111.1A10 A18 N262A10-S14 WeakPolarHBondContact O-CB 3.3Å; A10-S14 PolarHBondContact O-N 3.48Å; A10-S14 PolarHBondContact O-OG 3.34Å; S14-A18 WeakPolarHBondContact O-CB 3.25Å; S14-A18 PolarHBondContact O-N 3.33Å; S14-N262 WeakPolarHBondContact OG-CA 3.21Å; S14-N262 PolarHBondContact OG-N 2.81Å
15G78.1Confident79.8Confident20 Ų2055.9 Ų55.921%0.20630%0.302CS..Hα-helixtrans-64.5-45.7174.200000112.9S11 L12 F13 A18 G19S11-G15 WeakPolarHBondContact O-CA 3.4Å; S11-G15 PolarHBondContact O-N 3.35Å; L12-G15 PolarHBondContact O-N 3.22Å; F13-G15 VanDerWaalsContact C-N 3.33Å; F13-G15 PolarHBondContact O-N 2.93Å; G15-A18 PolarHBondContact O-N 3.4Å; G15-G19 PolarHBondContact O-N 2.86Å
16A80.9Confident81Confident61 Ų6152.8 Ų52.850%0.50429%0.288SS..Hα-helixtrans-63.6-43.717700000112L12 F13 L20L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 2.68Å; F13-A16 PolarHBondContact O-N 2.85Å; A16-L20 WeakPolarHBondContact O-CB 3.35Å; A16-L20 PolarHBondContact O-N 3.35Å
17F86Confident82.2Confident93 Ų9347.2 Ų47.241%0.40827%0.267SS..Hα-helixtrans-63.5-46176.1178.7-91.7000111.9F13 L20 T21 F260 A261F13-F17 VanDerWaalsContact O-CB 3.25Å; F13-F17 WeakPolarHBondContact O-CB 3.39Å; F13-F17 PolarHBondContact O-N 2.88Å; F17-L20 PolarHBondContact O-N 2.95Å; F17-T21 WeakPolarHBondContact O-CB 3.39Å; F17-T21 PolarHBondContact O-N 3.14Å; F17-T21 PolarHBondContact O-OG1 2.73Å; F17-F260 HydrophobicContact CE1-CD1 4.22Å; F17-A261 HydrophobicContact CB-CB 4.2Å; F17-A261 HydrophobicContact CD1-CB 3.62Å; F17-A261 HydrophobicContact CE1-CB 4.29Å; F17-A261 HydrophobicContact CG-CB 4.08Å
18A86.4Confident83.4Confident0 Ų047.6 Ų47.60%027%0.266CS..Hα-helixtrans-62.1-46.4177.800000111.6S14 G15 L20 T21 V22 F254S14-A18 WeakPolarHBondContact O-CB 3.25Å; S14-A18 PolarHBondContact O-N 3.33Å; G15-A18 PolarHBondContact O-N 3.4Å; A18-L20 PolarHBondContact O-N 3.26Å; A18-T21 PolarHBondContact O-N 3.1Å; A18-V22 VanDerWaalsContact O-CG2 3.32Å; A18-V22 WeakPolarHBondContact O-CG2 3.44Å; A18-V22 PolarHBondContact O-N 3.39Å; A18-F254 HydrophobicContact CB-CD2 3.69Å; A18-F254 HydrophobicContact CB-CE2 3.68Å; A18-F254 HydrophobicContact CB-CG 4.18Å; A18-F254 HydrophobicContact CB-CZ 4.15Å; A18-F254 WeakPolarHBondContact CB-O 3.41Å
19G84.8Confident84.6Confident21 Ų2143.3 Ų43.322%0.21625%0.248CC..Hα-helixtrans-58.2-47.7175.600000112.1G15 T21 V22 D23G15-G19 PolarHBondContact O-N 2.86Å; G19-T21 VanDerWaalsContact C-N 3.33Å; G19-T21 PolarHBondContact O-N 2.96Å; G19-V22 PolarHBondContact O-N 2.85Å; G19-D23 PolarHBondContact O-N 2.99Å
20L86.2Confident85.5Confident82 Ų8239.7 Ų39.743%0.42923%0.233SC..Hα-helixtrans-65.8-35.7178.5-173.5144000112.2A16 F17 A18 D23 L24A16-L20 WeakPolarHBondContact O-CB 3.35Å; A16-L20 PolarHBondContact O-N 3.35Å; F17-L20 PolarHBondContact O-N 2.95Å; A18-L20 PolarHBondContact O-N 3.26Å; L20-D23 PolarHBondContact O-N 3.41Å; L20-L24 HydrophobicContact CD2-CD1 3.44Å; L20-L24 VanDerWaalsContact CD2-CD1 3.44Å; L20-L24 HydrophobicContact CD2-CG 3.95Å; L20-L24 HydrophobicContact CG-CD1 4.47Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 2.99Å
21T89.2Confident86.4Confident36 Ų3639.5 Ų39.522%0.22123%0.232CC..Hα-helixtrans-66.5-42176.6-59.10000111.2F17 A18 G19 L24 A25 V253 S257F17-T21 WeakPolarHBondContact O-CB 3.39Å; F17-T21 PolarHBondContact O-N 3.14Å; F17-T21 PolarHBondContact O-OG1 2.73Å; A18-T21 PolarHBondContact O-N 3.1Å; G19-T21 VanDerWaalsContact C-N 3.33Å; G19-T21 PolarHBondContact O-N 2.96Å; T21-L24 PolarHBondContact O-N 2.7Å; T21-A25 WeakPolarHBondContact O-CB 3.46Å; T21-A25 PolarHBondContact O-N 3.23Å; T21-V253 HydrophobicContact CG2-CG1 4.26Å; T21-S257 VanDerWaalsContact CG2-OG 3.25Å; T21-S257 WeakPolarHBondContact CG2-OG 3.37Å
22V89.5Confident87.4Confident9 Ų939.3 Ų39.36%0.05523%0.228CC..Hα-helixtrans-60.4-48.5172.7172.30000110.7A18 G19 L24 A25 L26 W246 G250 V253 F254A18-V22 VanDerWaalsContact O-CG2 3.32Å; A18-V22 WeakPolarHBondContact O-CG2 3.44Å; A18-V22 PolarHBondContact O-N 3.39Å; G19-V22 PolarHBondContact O-N 2.85Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 2.88Å; V22-A25 PolarHBondContact O-N 3.18Å; V22-L26 HydrophobicContact CG1-CD1 4.15Å; V22-L26 WeakPolarHBondContact O-CB 3.09Å; V22-L26 PolarHBondContact O-N 3.25Å; V22-W246 HydrophobicContact CG1-CZ2 4.22Å; V22-G250 WeakPolarHBondContact CG2-O 3.48Å; V22-V253 HydrophobicContact CG2-CB 4.02Å; V22-V253 HydrophobicContact CG2-CG1 3.82Å; V22-F254 HydrophobicContact CG2-CB 3.72Å; V22-F254 HydrophobicContact CG2-CD2 4.29Å; V22-F254 VanDerWaalsContact CG2-N 3.34Å
23D88.3Confident88.2Confident35 Ų3536 Ų3619%0.18721%0.209CC..Hα-helixtrans-59.7-43.7179.3-77.7-25.5000111.2G19 L20 Y27 I58G19-D23 PolarHBondContact O-N 2.99Å; L20-D23 PolarHBondContact O-N 3.41Å; D23-Y27 VanDerWaalsContact O-CA 3.28Å; D23-Y27 WeakPolarHBondContact O-CA 3.27Å; D23-Y27 WeakPolarHBondContact O-CB 3.27Å; D23-Y27 PolarHBondContact O-N 2.98Å; D23-I58 WeakPolarHBondContact OD2-CG2 3.29Å
24L90.4Very high88.7Confident71 Ų7130.1 Ų30.137%0.37218%0.183SC..Hα-helixtrans-67.7-46.1177.5-73.4-179.5000113.1L20 T21 V22 Y52 L55L20-L24 HydrophobicContact CD2-CD1 3.44Å; L20-L24 VanDerWaalsContact CD2-CD1 3.44Å; L20-L24 HydrophobicContact CD2-CG 3.95Å; L20-L24 HydrophobicContact CG-CD1 4.47Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 2.99Å; T21-L24 PolarHBondContact O-N 2.7Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 2.88Å; L24-Y52 VanDerWaalsContact O-CE1 3.32Å; L24-Y52 WeakPolarHBondContact O-CE1 3.32Å; L24-Y52 PolarHBondContact O-OH 3.14Å; L24-L55 HydrophobicContact CD2-CD1 3.94Å; L24-L55 HydrophobicContact CD2-CD2 3.39Å; L24-L55 HydrophobicContact CD2-CG 4.24Å
25A91.8Very high89.3Confident56 Ų5630.1 Ų30.146%0.46318%0.183SC..Hα-helixtrans-68.4-39.1-175.800000111.6T21 V22T21-A25 WeakPolarHBondContact O-CB 3.46Å; T21-A25 PolarHBondContact O-N 3.23Å; V22-A25 PolarHBondContact O-N 3.18Å
26L92.7Very high90Very high16 Ų1632.4 Ų32.48%0.08419%0.191CC..Hα-helixtrans-107.34-172.9-52.9-178.6000113.4V22 P28 L29 D30 W246 I249 G250V22-L26 HydrophobicContact CG1-CD1 4.15Å; V22-L26 WeakPolarHBondContact O-CB 3.09Å; V22-L26 PolarHBondContact O-N 3.25Å; L26-P28 VanDerWaalsContact C-N 3.26Å; L26-L29 HydrophobicContact CD2-CD1 4.21Å; L26-L29 WeakPolarHBondContact O-CB 3.3Å; L26-L29 PolarHBondContact O-N 3.07Å; L26-D30 PolarHBondContact O-N 2.87Å; L26-W246 HydrophobicContact CB-CG 4.34Å; L26-W246 HydrophobicContact CD1-CG 4.45Å; L26-I249 HydrophobicContact CD1-CB 4.1Å; L26-I249 HydrophobicContact CD1-CG2 4.02Å; L26-I249 HydrophobicContact CD2-CB 4.38Å; L26-I249 HydrophobicContact CD2-CG2 3.78Å; L26-G250 VanDerWaalsContact CD1-N 3.32Å
27Y91.4Very high90.5Very high2 Ų229.5 Ų29.51%0.00817%0.167CC..Hα-helixtrans-48.4-42.8175-150.8-90.5000113.6D23 L29 D30 T31 L51 Y52 A53 G54 L55 I58D23-Y27 VanDerWaalsContact O-CA 3.28Å; D23-Y27 WeakPolarHBondContact O-CA 3.27Å; D23-Y27 WeakPolarHBondContact O-CB 3.27Å; D23-Y27 PolarHBondContact O-N 2.98Å; Y27-L29 VanDerWaalsContact C-N 3.29Å; Y27-L29 PolarHBondContact O-N 3.3Å; Y27-D30 PolarHBondContact O-N 3Å; Y27-D30 VanDerWaalsContact O-N 3.15Å; Y27-T31 WeakPolarHBondContact CE1-OG1 3.29Å; Y27-T31 PolarHBondContact O-N 2.91Å; Y27-T31 PolarHBondContact O-OG1 3.26Å; Y27-L51 WeakPolarHBondContact CD1-O 3.1Å; Y27-L51 VanDerWaalsContact CE1-O 3.28Å; Y27-L51 WeakPolarHBondContact CE1-O 3.01Å; Y27-Y52 AromaticContact CD1-CD1 3.99Å; Y27-Y52 HydrophobicContact CD1-CD1 3.99Å; Y27-Y52 HydrophobicContact CD1-CG 4.39Å; Y27-Y52 HydrophobicContact CG-CD1 4Å; Y27-Y52 HydrophobicContact CG-CE1 4.36Å; Y27-A53 PolarHBondContact OH-O 3.13Å; Y27-A53 VanDerWaalsContact OH-O 3.06Å; Y27-G54 WeakPolarHBondContact OH-CA 3.3Å; Y27-L55 HydrophobicContact CD2-CB 4.17Å; Y27-L55 HydrophobicContact CD2-CD1 3.36Å; Y27-L55 HydrophobicContact CD2-CG 4.34Å; Y27-L55 HydrophobicContact CE1-CB 4.29Å; Y27-L55 HydrophobicContact CE2-CB 3.71Å; Y27-L55 HydrophobicContact CE2-CD1 3.52Å; Y27-L55 HydrophobicContact CE2-CG 4.23Å; Y27-L55 HydrophobicContact CG-CD1 4.15Å; Y27-L55 WeakPolarHBondContact OH-CA 3.43Å; Y27-L55 PolarHBondContact OH-N 3.32Å; Y27-I58 HydrophobicContact CD2-CD1 4.27Å; Y27-I58 HydrophobicContact CE2-CD1 3.52Å; Y27-I58 HydrophobicContact CE2-CG1 4.46Å
28P92.9Very high90.7Very high30 Ų3025.3 Ų25.320%0.19515%0.149CC..Hα-helixtrans-57.9-39.4178.3-28.238.4000113.7L26 T31 L32 L51 Y52L26-P28 VanDerWaalsContact C-N 3.26Å; P28-T31 PolarHBondContact O-N 3.34Å; P28-L32 VanDerWaalsContact O-CG 3.28Å; P28-L32 WeakPolarHBondContact O-CG 3.44Å; P28-L32 PolarHBondContact O-N 3.37Å; P28-L51 HydrophobicContact CB-CB 4.18Å; P28-L51 HydrophobicContact CB-CD1 4.05Å; P28-L51 HydrophobicContact CG-CB 4.47Å; P28-Y52 HydrophobicContact CG-CE2 3.99Å
29L92.5Very high90.6Very high40 Ų4029.6 Ų29.621%0.20918%0.179CC..Hα-helixtrans-66.4-39.7177.5-68.6176.9000111.5L26 Y27 L32 K33 P242 L245L26-L29 HydrophobicContact CD2-CD1 4.21Å; L26-L29 WeakPolarHBondContact O-CB 3.3Å; L26-L29 PolarHBondContact O-N 3.07Å; Y27-L29 VanDerWaalsContact C-N 3.29Å; Y27-L29 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-K33 WeakPolarHBondContact O-CB 3.44Å; L29-K33 PolarHBondContact O-N 3.01Å; L29-P242 HydrophobicContact CB-CB 4.43Å; L29-P242 HydrophobicContact CD2-CB 4.42Å; L29-L245 HydrophobicContact CD1-CB 4.2Å
30D91.5Very high90.7Very high9 Ų931.2 Ų31.25%0.04819%0.191CC..Hα-helixtrans-66.5-40.7178-177.264.6000111.8L26 Y27 K33 T34 K113 Q117L26-D30 PolarHBondContact O-N 2.87Å; Y27-D30 PolarHBondContact O-N 3Å; Y27-D30 VanDerWaalsContact O-N 3.15Å; D30-K33 WeakPolarHBondContact O-CB 3.25Å; D30-K33 PolarHBondContact O-N 2.94Å; D30-K33 VanDerWaalsContact OD1-CE 3.3Å; D30-K33 WeakPolarHBondContact OD1-CE 3.32Å; D30-K33 IonicContact OD1-NZ 2.69Å; D30-K33 PolarHBondContact OD1-NZ 2.86Å; D30-T34 PolarHBondContact O-N 3.32Å; D30-T34 PolarHBondContact O-OG1 3.37Å; D30-T34 VanDerWaalsContact O-OG1 3.14Å; D30-K113 IonicContact OD1-NZ 3.56Å; D30-K113 WeakPolarHBondContact OD2-CE 3.12Å; D30-K113 IonicContact OD2-NZ 2.72Å; D30-K113 PolarHBondContact OD2-NZ 3.38Å; D30-Q117 PolarHBondContact OD2-NE2 3.41Å
31T92.3Very high90.8Very high0 Ų028.6 Ų28.60%018%0.183CC..Hα-helixtrans-63.1-43.6173-64.40000112Y27 P28 K33 T34 R35 L51 Q117Y27-T31 WeakPolarHBondContact CE1-OG1 3.29Å; Y27-T31 PolarHBondContact O-N 2.91Å; Y27-T31 PolarHBondContact O-OG1 3.26Å; P28-T31 PolarHBondContact O-N 3.34Å; T31-K33 PolarHBondContact O-N 3.35Å; T31-T34 PolarHBondContact O-N 3.49Å; T31-R35 VanDerWaalsContact O-CG 3.29Å; T31-R35 WeakPolarHBondContact O-CG 3.28Å; T31-R35 PolarHBondContact O-N 2.96Å; T31-L51 VanDerWaalsContact CB-O 3.27Å; T31-L51 WeakPolarHBondContact CB-O 3.36Å; T31-L51 HydrophobicContact CG2-CD2 3.98Å; T31-L51 PolarHBondContact OG1-O 3.1Å; T31-Q117 HydrophobicContact CG2-CB 4.12Å; T31-Q117 HydrophobicContact CG2-CG 4.17Å; T31-Q117 WeakPolarHBondContact OG1-CG 3.25Å; T31-Q117 PolarHBondContact OG1-NE2 3.27Å; T31-Q117 VanDerWaalsContact OG1-NE2 3.1Å
32L93.2Very high90.8Very high30 Ų3028.8 Ų28.816%0.15718%0.182CC..Hα-helixtrans-62-42.6175.6-71.2174000111.8P28 L29 R35 L36 L42 F48 L51P28-L32 VanDerWaalsContact O-CG 3.28Å; P28-L32 WeakPolarHBondContact O-CG 3.44Å; P28-L32 PolarHBondContact O-N 3.37Å; L29-L32 PolarHBondContact O-N 3.36Å; L32-R35 PolarHBondContact O-N 3.48Å; L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.32Å; L32-L42 HydrophobicContact CD2-CD1 3.93Å; L32-F48 HydrophobicContact CD1-CD1 4.37Å; L32-F48 HydrophobicContact CD1-CE1 4.01Å; L32-F48 HydrophobicContact CD2-CD1 3.66Å; L32-F48 HydrophobicContact CD2-CE1 3.59Å; L32-F48 HydrophobicContact CD2-CG 4.47Å; L32-F48 HydrophobicContact CD2-CZ 4.36Å; L32-F48 HydrophobicContact CG-CE1 4.47Å; L32-L51 HydrophobicContact CD2-CD2 4.11Å; L32-L51 HydrophobicContact CG-CD2 4.19Å
33K93.3Very high90.8Very high21 Ų2135.6 Ų35.69%0.09122%0.215CC..Hα-helixtrans-56.4-53.3173.6179.1-156.770.5-172.10110.8L29 D30 T31 R35 L36 Q37 P242 R243L29-K33 WeakPolarHBondContact O-CB 3.44Å; L29-K33 PolarHBondContact O-N 3.01Å; D30-K33 WeakPolarHBondContact O-CB 3.25Å; D30-K33 PolarHBondContact O-N 2.94Å; D30-K33 VanDerWaalsContact OD1-CE 3.3Å; D30-K33 WeakPolarHBondContact OD1-CE 3.32Å; D30-K33 IonicContact OD1-NZ 2.69Å; D30-K33 PolarHBondContact OD1-NZ 2.86Å; T31-K33 PolarHBondContact O-N 3.35Å; K33-R35 VanDerWaalsContact C-N 3.3Å; K33-R35 PolarHBondContact O-N 3.42Å; K33-L36 PolarHBondContact O-N 3.02Å; K33-Q37 HydrophobicContact CG-CG 4.47Å; K33-Q37 WeakPolarHBondContact O-CB 3.45Å; K33-Q37 WeakPolarHBondContact O-CG 3.39Å; K33-Q37 PolarHBondContact O-N 3.27Å; K33-P242 HydrophobicContact CB-CB 4.1Å; K33-P242 HydrophobicContact CB-CG 3.87Å; K33-P242 HydrophobicContact CG-CG 4.47Å; K33-R243 HydrophobicContact CD-CB 4.03Å; K33-R243 HydrophobicContact CD-CG 4.44Å; K33-R243 HydrophobicContact CG-CB 4.41Å
34T91.1Very high90.7Very high0 Ų038.6 Ų38.60%024%0.239CC..Hα-helixtrans-58.3-42.1-179.3-61.60000111.7D30 T31 Q37 S38 Q114 Q117 T205 L209D30-T34 PolarHBondContact O-N 3.32Å; D30-T34 PolarHBondContact O-OG1 3.37Å; D30-T34 VanDerWaalsContact O-OG1 3.14Å; T31-T34 PolarHBondContact O-N 3.49Å; T34-Q37 PolarHBondContact O-N 3.03Å; T34-S38 PolarHBondContact O-N 2.76Å; T34-Q114 HydrophobicContact CG2-CB 4Å; T34-Q114 HydrophobicContact CG2-CG 4.15Å; T34-Q117 HydrophobicContact CG2-CB 4.07Å; T34-Q117 PolarHBondContact OG1-OE1 2.99Å; T34-T205 HydrophobicContact CG2-CG2 4Å; T34-L209 HydrophobicContact CG2-CD1 4.39Å
35R93.2Very high90.5Very high0 Ų035.4 Ų35.40%022%0.223CC..Hα-helixtrans-67.6-40.1178.4-69.6178.3178.71702.1112.8T31 L32 K33 Q37 S38 G41 L42 S45 G46 G47 K49 Q117T31-R35 VanDerWaalsContact O-CG 3.29Å; T31-R35 WeakPolarHBondContact O-CG 3.28Å; T31-R35 PolarHBondContact O-N 2.96Å; L32-R35 PolarHBondContact O-N 3.48Å; K33-R35 VanDerWaalsContact C-N 3.3Å; K33-R35 PolarHBondContact O-N 3.42Å; R35-Q37 VanDerWaalsContact C-N 3.34Å; R35-S38 WeakPolarHBondContact O-CB 3.45Å; R35-S38 PolarHBondContact O-N 2.86Å; R35-S38 PolarHBondContact O-OG 3.04Å; R35-G41 CarbonylContact O-C 3.33Å; R35-L42 HydrophobicContact CB-CD1 3.69Å; R35-S45 WeakPolarHBondContact CD-O 3.41Å; R35-S45 PolarHBondContact NE-O 3.02Å; R35-G46 PolarHBondContact NH1-O 2.91Å; R35-G47 WeakPolarHBondContact CD-O 3.31Å; R35-G47 PolarHBondContact NH1-O 3.23Å; R35-K49 PolarHBondContact NH1-O 3.39Å; R35-K49 PolarHBondContact NH2-O 3.15Å; R35-Q117 PolarHBondContact NE-O 2.92Å; R35-Q117 PolarHBondContact NH2-O 3.43Å
36L92.4Very high90.2Very high68 Ų6833.7 Ų33.736%0.35621%0.21SC..Hα-helixtrans-65.9-36.4174.6-75.3165.9000112.3L32 K33 S38 L42 P242L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.32Å; K33-L36 PolarHBondContact O-N 3.02Å; L36-S38 VanDerWaalsContact C-N 3.35Å; L36-L42 HydrophobicContact CD2-CB 4.04Å; L36-L42 HydrophobicContact CD2-CD2 4.26Å; L36-P242 HydrophobicContact CD1-CG 4.07Å
37Q90.8Very high90Very high0 Ų033.2 Ų33.20%021%0.209CC..Hα-helixtrans-77-20.8177.9-73.7175.6-14.100113.4K33 T34 R35 D201 M202 T205 R206 A238K33-Q37 HydrophobicContact CG-CG 4.47Å; K33-Q37 WeakPolarHBondContact O-CB 3.45Å; K33-Q37 WeakPolarHBondContact O-CG 3.39Å; K33-Q37 PolarHBondContact O-N 3.27Å; T34-Q37 PolarHBondContact O-N 3.03Å; R35-Q37 VanDerWaalsContact C-N 3.34Å; Q37-D201 PolarHBondContact NE2-OD2 3.48Å; Q37-D201 PolarHBondContact OE1-OD2 3.37Å; Q37-M202 HydrophobicContact CB-CG 4.41Å; Q37-M202 HydrophobicContact CG-CB 4.25Å; Q37-M202 HydrophobicContact CG-CG 4.35Å; Q37-T205 HydrophobicContact CB-CG2 3.75Å; Q37-T205 PolarHBondContact OE1-OG1 3.23Å; Q37-R206 VanDerWaalsContact O-CG 3.29Å; Q37-R206 WeakPolarHBondContact O-CG 3.28Å; Q37-R206 PolarHBondContact O-NE 3.13Å; Q37-A238 WeakPolarHBondContact CG-O 3.47Å
38S90.1Very high90Very high6 Ų639.7 Ų39.74%0.04224%0.238CC..SBendtrans-57.9149.4176.780.80000111.8T34 R35 L36 A40 G41 S45T34-S38 PolarHBondContact O-N 2.76Å; R35-S38 WeakPolarHBondContact O-CB 3.45Å; R35-S38 PolarHBondContact O-N 2.86Å; R35-S38 PolarHBondContact O-OG 3.04Å; L36-S38 VanDerWaalsContact C-N 3.35Å; S38-A40 PolarHBondContact O-N 2.97Å; S38-G41 PolarHBondContact O-N 3.3Å; S38-G41 PolarHBondContact OG-N 3.35Å; S38-G41 VanDerWaalsContact OG-N 3.1Å; S38-G41 PolarHBondContact OG-O 3.3Å; S38-S45 PolarHBondContact OG-OG 3.16Å
39S85.6Confident89.7Confident89 Ų8945.9 Ų45.962%0.62226%0.262SS*.THydrogen-bonded Turntrans-67-23.7174.853.30000113.1
40A86.9Confident89.4Confident56 Ų5647.2 Ų47.246%0.46327%0.274SS..THydrogen-bonded Turntrans-82-15.1-179.900000113.3S38 S44S38-A40 PolarHBondContact O-N 2.97Å; A40-S44 WeakPolarHBondContact O-CB 3.29Å; A40-S44 PolarHBondContact O-OG 2.72Å
41G86.9Confident89.4Confident26 Ų2648.6 Ų48.627%0.26828%0.281SS..Hα-helixtrans79.3179.3-175.900000114.1R35 S38 S45R35-G41 CarbonylContact O-C 3.33Å; S38-G41 PolarHBondContact O-N 3.3Å; S38-G41 PolarHBondContact OG-N 3.35Å; S38-G41 VanDerWaalsContact OG-N 3.1Å; S38-G41 PolarHBondContact OG-O 3.3Å; G41-S45 VanDerWaalsContact O-CB 3.25Å; G41-S45 WeakPolarHBondContact O-CB 3.5Å; G41-S45 PolarHBondContact O-N 3Å; G41-S45 PolarHBondContact O-OG 2.95Å
42L89.6Confident89.3Confident40 Ų4054.1 Ų54.121%0.20930%0.303CS..Hα-helixtrans-63.5-51.7-170.4178.659.8000113.3L32 R35 L36 S45 G47 F48L32-L42 HydrophobicContact CD2-CD1 3.93Å; R35-L42 HydrophobicContact CB-CD1 3.69Å; L36-L42 HydrophobicContact CD2-CB 4.04Å; L36-L42 HydrophobicContact CD2-CD2 4.26Å; L42-S45 PolarHBondContact O-N 2.82Å; L42-G47 WeakPolarHBondContact O-CA 3.27Å; L42-G47 PolarHBondContact O-N 3.34Å; L42-F48 HydrophobicContact CD2-CE2 4.38Å; L42-F48 HydrophobicContact CD2-CZ 4.39Å
43M89.4Confident88.9Confident152 Ų15253.5 Ų53.575%0.74930%0.302SS*.Hα-helixtrans-68.1-45.4-173.2-64.3-61.3-93.400112S45 G46M43-S45 PolarHBondContact O-N 2.94Å; M43-G46 PolarHBondContact O-N 3.08Å; M43-G46 VanDerWaalsContact O-N 3.15Å
44S87.7Confident88.6Confident98 Ų9852.7 Ų52.769%0.68530%0.3SS*.Hα-helixtrans-63.8-26.6177.5-48.40000113.1A40 G46A40-S44 WeakPolarHBondContact O-CB 3.29Å; A40-S44 PolarHBondContact O-OG 2.72Å; S44-G46 VanDerWaalsContact C-N 3.32Å
45S85.2Confident88.4Confident5 Ų554.6 Ų54.64%0.03531%0.31CS..THydrogen-bonded Turntrans-92.213.2179.2-56.70000113.6R35 S38 G41 L42 M43R35-S45 WeakPolarHBondContact CD-O 3.41Å; R35-S45 PolarHBondContact NE-O 3.02Å; S38-S45 PolarHBondContact OG-OG 3.16Å; G41-S45 VanDerWaalsContact O-CB 3.25Å; G41-S45 WeakPolarHBondContact O-CB 3.5Å; G41-S45 PolarHBondContact O-N 3Å; G41-S45 PolarHBondContact O-OG 2.95Å; L42-S45 PolarHBondContact O-N 2.82Å; M43-S45 PolarHBondContact O-N 2.94Å
46G84.8Confident88Confident19 Ų1958.1 Ų58.120%0.19633%0.333CS..THydrogen-bonded Turntrans106.92.5174.900000115.9R35 M43 S44 F48 K49R35-G46 PolarHBondContact NH1-O 2.91Å; M43-G46 PolarHBondContact O-N 3.08Å; M43-G46 VanDerWaalsContact O-N 3.15Å; S44-G46 VanDerWaalsContact C-N 3.32Å; G46-F48 PolarHBondContact O-N 3.02Å; G46-F48 VanDerWaalsContact O-N 3.14Å; G46-K49 WeakPolarHBondContact O-CB 3.27Å; G46-K49 PolarHBondContact O-N 3.11Å
47G89.5Confident87.6Confident6 Ų655.1 Ų55.16%0.06232%0.318CS..THydrogen-bonded Turntrans56.3-116.6175.700000112.3R35 L42R35-G47 WeakPolarHBondContact CD-O 3.31Å; R35-G47 PolarHBondContact NH1-O 3.23Å; L42-G47 WeakPolarHBondContact O-CA 3.27Å; L42-G47 PolarHBondContact O-N 3.34Å
48F90.2Very high87.2Confident139 Ų13955.9 Ų55.961%0.6132%0.321SS*.THydrogen-bonded Turntrans-1059.5177.1-63.4-89000113.7L32 L42 G46 L51L32-F48 HydrophobicContact CD1-CD1 4.37Å; L32-F48 HydrophobicContact CD1-CE1 4.01Å; L32-F48 HydrophobicContact CD2-CD1 3.66Å; L32-F48 HydrophobicContact CD2-CE1 3.59Å; L32-F48 HydrophobicContact CD2-CG 4.47Å; L32-F48 HydrophobicContact CD2-CZ 4.36Å; L32-F48 HydrophobicContact CG-CE1 4.47Å; L42-F48 HydrophobicContact CD2-CE2 4.38Å; L42-F48 HydrophobicContact CD2-CZ 4.39Å; G46-F48 PolarHBondContact O-N 3.02Å; G46-F48 VanDerWaalsContact O-N 3.14Å; F48-L51 WeakPolarHBondContact O-CG 3.24Å
49K87.8Confident86.8Confident160 Ų16058.4 Ų58.470%0.69634%0.342SS*.SBendtrans-83148.9-179.6-64.3-177.2178.2-1780111.7R35 G46 L51R35-K49 PolarHBondContact NH1-O 3.39Å; R35-K49 PolarHBondContact NH2-O 3.15Å; G46-K49 WeakPolarHBondContact O-CB 3.27Å; G46-K49 PolarHBondContact O-N 3.11Å; K49-L51 VanDerWaalsContact C-N 3.33Å; K49-L51 PolarHBondContact O-N 3.47Å
50S87Confident86.8Confident67 Ų6759.8 Ų59.847%0.46934%0.342SS..  trans47.951.1175.9-490000113.4Y52 A53S50-Y52 PolarHBondContact O-N 3.31Å; S50-Y52 VanDerWaalsContact O-N 3.13Å; S50-A53 VanDerWaalsContact O-CB 3.24Å; S50-A53 WeakPolarHBondContact O-CB 3.31Å; S50-A53 PolarHBondContact O-N 3Å
51L90.2Very high86.5Confident38 Ų3857.3 Ų57.320%0.19932%0.322CS..THydrogen-bonded Turntrans-61.2-23.4-176.7-68.9173.1000112.7Y27 P28 T31 L32 F48 K49Y27-L51 WeakPolarHBondContact CD1-O 3.1Å; Y27-L51 VanDerWaalsContact CE1-O 3.28Å; Y27-L51 WeakPolarHBondContact CE1-O 3.01Å; P28-L51 HydrophobicContact CB-CB 4.18Å; P28-L51 HydrophobicContact CB-CD1 4.05Å; P28-L51 HydrophobicContact CG-CB 4.47Å; T31-L51 VanDerWaalsContact CB-O 3.27Å; T31-L51 WeakPolarHBondContact CB-O 3.36Å; T31-L51 HydrophobicContact CG2-CD2 3.98Å; T31-L51 PolarHBondContact OG1-O 3.1Å; L32-L51 HydrophobicContact CD2-CD2 4.11Å; L32-L51 HydrophobicContact CG-CD2 4.19Å; F48-L51 WeakPolarHBondContact O-CG 3.24Å; K49-L51 VanDerWaalsContact C-N 3.33Å; K49-L51 PolarHBondContact O-N 3.47Å
52Y89.6Confident86.2Confident117 Ų11758.5 Ų58.546%0.45933%0.325SS..THydrogen-bonded Turntrans-91.49.2177.1-70.7-86.2000114.9L24 Y27 P28 S50 G54 L55L24-Y52 VanDerWaalsContact O-CE1 3.32Å; L24-Y52 WeakPolarHBondContact O-CE1 3.32Å; L24-Y52 PolarHBondContact O-OH 3.14Å; Y27-Y52 AromaticContact CD1-CD1 3.99Å; Y27-Y52 HydrophobicContact CD1-CD1 3.99Å; Y27-Y52 HydrophobicContact CD1-CG 4.39Å; Y27-Y52 HydrophobicContact CG-CD1 4Å; Y27-Y52 HydrophobicContact CG-CE1 4.36Å; P28-Y52 HydrophobicContact CG-CE2 3.99Å; S50-Y52 PolarHBondContact O-N 3.31Å; S50-Y52 VanDerWaalsContact O-N 3.13Å; Y52-G54 PolarHBondContact O-N 3.3Å; Y52-L55 HydrophobicContact CD1-CD2 4.15Å; Y52-L55 WeakPolarHBondContact O-CB 3.41Å; Y52-L55 PolarHBondContact O-N 2.87Å
53A86.4Confident85.8Confident16 Ų1659.9 Ų59.913%0.13234%0.343CS..THydrogen-bonded Turntrans-63.7122.2179.600000111.1Y27 S50 S116 Q117Y27-A53 PolarHBondContact OH-O 3.13Å; Y27-A53 VanDerWaalsContact OH-O 3.06Å; S50-A53 VanDerWaalsContact O-CB 3.24Å; S50-A53 WeakPolarHBondContact O-CB 3.31Å; S50-A53 PolarHBondContact O-N 3Å; A53-S116 WeakPolarHBondContact CB-O 3.45Å; A53-Q117 WeakPolarHBondContact O-CG 3.3Å
54G86.3Confident85.7Confident4 Ų455.5 Ų55.54%0.04133%0.326CS..THydrogen-bonded Turntrans102.2-10.8-179.500000114.6Y27 Y52 P56 S57Y27-G54 WeakPolarHBondContact OH-CA 3.3Å; Y52-G54 PolarHBondContact O-N 3.3Å; G54-P56 VanDerWaalsContact C-CD 3.45Å; G54-P56 VanDerWaalsContact C-N 3.35Å; G54-S57 WeakPolarHBondContact O-CB 3.43Å; G54-S57 PolarHBondContact O-N 3.3Å; G54-S57 PolarHBondContact O-OG 3.32Å
55L86.6Confident85.6Confident40 Ų4051.2 Ų51.221%0.20930%0.297CS..Hα-helixtrans-51.4-43.7-174.2174.372.9000113.9L24 Y27 Y52 S57 I58L24-L55 HydrophobicContact CD2-CD1 3.94Å; L24-L55 HydrophobicContact CD2-CD2 3.39Å; L24-L55 HydrophobicContact CD2-CG 4.24Å; Y27-L55 HydrophobicContact CD2-CB 4.17Å; Y27-L55 HydrophobicContact CD2-CD1 3.36Å; Y27-L55 HydrophobicContact CD2-CG 4.34Å; Y27-L55 HydrophobicContact CE1-CB 4.29Å; Y27-L55 HydrophobicContact CE2-CB 3.71Å; Y27-L55 HydrophobicContact CE2-CD1 3.52Å; Y27-L55 HydrophobicContact CE2-CG 4.23Å; Y27-L55 HydrophobicContact CG-CD1 4.15Å; Y27-L55 WeakPolarHBondContact OH-CA 3.43Å; Y27-L55 PolarHBondContact OH-N 3.32Å; Y52-L55 HydrophobicContact CD1-CD2 4.15Å; Y52-L55 WeakPolarHBondContact O-CB 3.41Å; Y52-L55 PolarHBondContact O-N 2.87Å; L55-S57 PolarHBondContact O-N 2.9Å; L55-S57 VanDerWaalsContact O-N 3.14Å; L55-I58 PolarHBondContact O-N 2.91Å; L55-I58 VanDerWaalsContact O-N 3.14Å
56P85.2Confident85.5Confident75 Ų7553.9 Ų53.949%0.48732%0.315SS..Hα-helixtrans-57.8-30.3178.7-27.435.9000114.7G54 I58 A59 I60 V124G54-P56 VanDerWaalsContact C-CD 3.45Å; G54-P56 VanDerWaalsContact C-N 3.35Å; P56-I58 VanDerWaalsContact C-N 3.33Å; P56-I58 PolarHBondContact O-N 3.42Å; P56-A59 PolarHBondContact O-N 3.49Å; P56-I60 WeakPolarHBondContact O-CD1 3.33Å; P56-I60 WeakPolarHBondContact O-CG1 3.44Å; P56-I60 PolarHBondContact O-N 3.43Å; P56-V124 HydrophobicContact CB-CG2 4.49Å; P56-V124 HydrophobicContact CG-CG2 4.4Å
57S84.8Confident85.4Confident5 Ų555.2 Ų55.24%0.03533%0.325CS..Hα-helixtrans-67.8-32.8-179.465.20000112.9G54 L55 G61 T109 K113G54-S57 WeakPolarHBondContact O-CB 3.43Å; G54-S57 PolarHBondContact O-N 3.3Å; G54-S57 PolarHBondContact O-OG 3.32Å; L55-S57 PolarHBondContact O-N 2.9Å; L55-S57 VanDerWaalsContact O-N 3.14Å; S57-G61 PolarHBondContact O-N 3.5Å; S57-T109 WeakPolarHBondContact O-CB 3.39Å; S57-T109 WeakPolarHBondContact O-CG2 3.48Å; S57-T109 PolarHBondContact OG-O 2.87Å; S57-K113 WeakPolarHBondContact OG-CA 3.43Å; S57-K113 VanDerWaalsContact OG-CB 3.29Å; S57-K113 WeakPolarHBondContact OG-CB 3.28Å
58I82.1Confident85.3Confident16 Ų1657.7 Ų57.78%0.08234%0.336CS..Hα-helixtrans-67.8-49.3176.3-60.8-176.5000110.1D23 Y27 L55 P56 I60 G61 S62 K113D23-I58 WeakPolarHBondContact OD2-CG2 3.29Å; Y27-I58 HydrophobicContact CD2-CD1 4.27Å; Y27-I58 HydrophobicContact CE2-CD1 3.52Å; Y27-I58 HydrophobicContact CE2-CG1 4.46Å; L55-I58 PolarHBondContact O-N 2.91Å; L55-I58 VanDerWaalsContact O-N 3.14Å; P56-I58 VanDerWaalsContact C-N 3.33Å; P56-I58 PolarHBondContact O-N 3.42Å; I58-I60 PolarHBondContact O-N 2.96Å; I58-I60 VanDerWaalsContact O-N 3.14Å; I58-G61 PolarHBondContact O-N 3.01Å; I58-S62 VanDerWaalsContact CG2-OG 3.29Å; I58-S62 WeakPolarHBondContact CG2-OG 3.43Å; I58-S62 PolarHBondContact O-N 3.48Å; I58-S62 PolarHBondContact O-OG 3.34Å; I58-K113 HydrophobicContact CD1-CD 3.54Å; I58-K113 HydrophobicContact CD1-CG 4.17Å; I58-K113 VanDerWaalsContact CD1-NZ 3.35Å; I58-K113 HydrophobicContact CG1-CD 3.61Å; I58-K113 HydrophobicContact CG1-CG 4.04Å
59A81.3Confident85Confident58 Ų5853.4 Ų53.448%0.47932%0.317SS..Hα-helixtrans-54.8-37.3-178.600000112.2P56P56-A59 PolarHBondContact O-N 3.49Å
60I84.8Confident84.7Confident119 Ų11951.5 Ų51.561%0.6131%0.31SS*.Hα-helixtrans-68.4-37.9176.5-65166000111.9P56 I58 P64P56-I60 WeakPolarHBondContact O-CD1 3.33Å; P56-I60 WeakPolarHBondContact O-CG1 3.44Å; P56-I60 PolarHBondContact O-N 3.43Å; I58-I60 PolarHBondContact O-N 2.96Å; I58-I60 VanDerWaalsContact O-N 3.14Å; I60-P64 VanDerWaalsContact O-CD 3.23Å; I60-P64 WeakPolarHBondContact O-CD 3.4Å; I60-P64 WeakPolarHBondContact O-CG 3.28Å
61G82.1Confident84.6Confident4 Ų454.1 Ų54.14%0.04132%0.318CS..Hα-helixtrans-87.8-27.5-174.400000115.4S57 I58 G65S57-G61 PolarHBondContact O-N 3.5Å; I58-G61 PolarHBondContact O-N 3.01Å; G61-G65 PolarHBondContact O-N 3.4Å
62S80.6Confident84.4Confident50 Ų5053.5 Ų53.535%0.3532%0.315SS..Hα-helixtrans-65.5-47.6-169.8-66.80000113.1I58 S66I58-S62 VanDerWaalsContact CG2-OG 3.29Å; I58-S62 WeakPolarHBondContact CG2-OG 3.43Å; I58-S62 PolarHBondContact O-N 3.48Å; I58-S62 PolarHBondContact O-OG 3.34Å; S62-S66 VanDerWaalsContact O-CB 3.32Å; S62-S66 WeakPolarHBondContact O-CB 3.49Å; S62-S66 PolarHBondContact O-N 3.45Å; S62-S66 PolarHBondContact O-OG 2.89Å
63A80.5Confident84.1Confident69 Ų6949.5 Ų49.557%0.5730%0.299SS*.Hα-helixtrans-68.8-49.3-17800000112.7G65 S66 A67A63-G65 PolarHBondContact O-N 2.63Å; A63-S66 PolarHBondContact O-N 3.03Å; A63-A67 WeakPolarHBondContact O-CB 3.46Å; A63-A67 PolarHBondContact O-N 3.44Å
64P87.4Confident83.7Confident61 Ų6153.5 Ų53.540%0.39632%0.315SS..Hα-helixtrans-68.1-35178.1-1629.9000112.6I60 A67 L68 V105I60-P64 VanDerWaalsContact O-CD 3.23Å; I60-P64 WeakPolarHBondContact O-CD 3.4Å; I60-P64 WeakPolarHBondContact O-CG 3.28Å; P64-A67 PolarHBondContact O-N 2.79Å; P64-L68 WeakPolarHBondContact O-CB 3.48Å; P64-L68 WeakPolarHBondContact O-CG 3.24Å; P64-L68 PolarHBondContact O-N 2.99Å; P64-V105 HydrophobicContact CB-CG1 4.21Å
65G85.5Confident83.7Confident7 Ų760.8 Ų60.87%0.07235%0.346CS..Hα-helixtrans-62.1-45.9174.400000112.4G61 A63 L68 F69G61-G65 PolarHBondContact O-N 3.4Å; A63-G65 PolarHBondContact O-N 2.63Å; G65-L68 PolarHBondContact O-N 3.4Å; G65-F69 PolarHBondContact O-N 2.8Å
66S82Confident83.7Confident61 Ų6159.9 Ų59.943%0.42734%0.342SS..Hα-helixtrans-64.8-42.1175.9-56.70000111.7S62 A63 L68 F69 F70S62-S66 VanDerWaalsContact O-CB 3.32Å; S62-S66 WeakPolarHBondContact O-CB 3.49Å; S62-S66 PolarHBondContact O-N 3.45Å; S62-S66 PolarHBondContact O-OG 2.89Å; A63-S66 PolarHBondContact O-N 3.03Å; S66-L68 PolarHBondContact O-N 3.36Å; S66-F69 WeakPolarHBondContact O-CB 3.4Å; S66-F69 PolarHBondContact O-N 3.4Å; S66-F70 WeakPolarHBondContact O-CD2 3.46Å; S66-F70 PolarHBondContact O-N 2.78Å
67A82.8Confident83.4Confident48 Ų4858.2 Ų58.240%0.39733%0.327SS..Hα-helixtrans-59.7-47176.700000111.5A63 P64 F70 L71A63-A67 WeakPolarHBondContact O-CB 3.46Å; A63-A67 PolarHBondContact O-N 3.44Å; P64-A67 PolarHBondContact O-N 2.79Å; A67-F70 PolarHBondContact O-N 3.28Å; A67-L71 VanDerWaalsContact O-CB 3.31Å; A67-L71 WeakPolarHBondContact O-CB 3.16Å; A67-L71 WeakPolarHBondContact O-CG 3.32Å; A67-L71 PolarHBondContact O-N 2.98Å
68L88.1Confident83.2Confident58 Ų5860.5 Ų60.530%0.30435%0.352SS..Hα-helixtrans-62.4-43.6176.1-76176.9000112.2P64 G65 S66 F70 L71 T72 V101 V105P64-L68 WeakPolarHBondContact O-CB 3.48Å; P64-L68 WeakPolarHBondContact O-CG 3.24Å; P64-L68 PolarHBondContact O-N 2.99Å; G65-L68 PolarHBondContact O-N 3.4Å; S66-L68 PolarHBondContact O-N 3.36Å; L68-F70 PolarHBondContact O-N 2.9Å; L68-L71 PolarHBondContact O-N 3.27Å; L68-T72 VanDerWaalsContact O-CB 3.31Å; L68-T72 WeakPolarHBondContact O-CB 3.47Å; L68-T72 PolarHBondContact O-N 2.91Å; L68-T72 PolarHBondContact O-OG1 3.05Å; L68-T72 VanDerWaalsContact O-OG1 3.07Å; L68-V101 HydrophobicContact CB-CG1 4.18Å; L68-V101 HydrophobicContact CD1-CG1 4.47Å; L68-V101 HydrophobicContact CD2-CG1 4.36Å; L68-V105 HydrophobicContact CD1-CB 4.35Å; L68-V105 HydrophobicContact CD1-CG2 3.4Å
69F85Confident83.3Confident48 Ų4861.6 Ų61.621%0.21136%0.364CS..Hα-helixtrans-52.6-55.8174.5176.2-90.9000111G65 S66 T72 Y73 G98 E99 A102G65-F69 PolarHBondContact O-N 2.8Å; S66-F69 WeakPolarHBondContact O-CB 3.4Å; S66-F69 PolarHBondContact O-N 3.4Å; F69-T72 PolarHBondContact O-N 3.08Å; F69-Y73 WeakPolarHBondContact O-CB 3.33Å; F69-Y73 PolarHBondContact O-N 3.43Å; F69-G98 VanDerWaalsContact CD2-C 3.43Å; F69-E99 HydrophobicContact CE2-CB 4.4Å; F69-A102 HydrophobicContact CB-CB 3.95Å
70F80.7Confident83.3Confident121 Ų12158.9 Ų58.953%0.53134%0.341SS..Hα-helixtrans-68.2-39.7-175.7-76.4-66000112.6S66 A67 L68 Y73 E74S66-F70 WeakPolarHBondContact O-CD2 3.46Å; S66-F70 PolarHBondContact O-N 2.78Å; A67-F70 PolarHBondContact O-N 3.28Å; L68-F70 PolarHBondContact O-N 2.9Å; F70-Y73 PolarHBondContact O-N 2.96Å; F70-E74 WeakPolarHBondContact O-CB 3.37Å; F70-E74 WeakPolarHBondContact O-CG 3.35Å; F70-E74 PolarHBondContact O-N 3.13Å
71L84Confident82.6Confident122 Ų12256.5 Ų56.564%0.63934%0.335SS*.Hα-helixtrans-61.7-46.8176.4-73.9171.3000111.4A67 L68 F75A67-L71 VanDerWaalsContact O-CB 3.31Å; A67-L71 WeakPolarHBondContact O-CB 3.16Å; A67-L71 WeakPolarHBondContact O-CG 3.32Å; A67-L71 PolarHBondContact O-N 2.98Å; L68-L71 PolarHBondContact O-N 3.27Å; L71-F75 VanDerWaalsContact O-CB 3.29Å; L71-F75 WeakPolarHBondContact O-CB 3.37Å; L71-F75 PolarHBondContact O-N 3.46Å
72T85.8Confident82.1Confident24 Ų2459.9 Ų59.915%0.14737%0.37CS..Hα-helixtrans-67.6-42.2177-61.90000111.3L68 F69 E74 F75 V76 C97 V101L68-T72 VanDerWaalsContact O-CB 3.31Å; L68-T72 WeakPolarHBondContact O-CB 3.47Å; L68-T72 PolarHBondContact O-N 2.91Å; L68-T72 PolarHBondContact O-OG1 3.05Å; L68-T72 VanDerWaalsContact O-OG1 3.07Å; F69-T72 PolarHBondContact O-N 3.08Å; T72-E74 PolarHBondContact O-N 3.32Å; T72-F75 PolarHBondContact O-N 3.44Å; T72-V76 HydrophobicContact CG2-CG2 3.9Å; T72-V76 VanDerWaalsContact O-CB 3.29Å; T72-V76 WeakPolarHBondContact O-CB 3.3Å; T72-V76 WeakPolarHBondContact O-CG2 3.34Å; T72-V76 PolarHBondContact O-N 3.19Å; T72-C97 HydrophobicContact CG2-CB 4.09Å; T72-V101 HydrophobicContact CG2-CB 4.24Å; T72-V101 HydrophobicContact CG2-CG2 3.79Å
73Y83.2Confident81.9Confident33 Ų3365.8 Ų65.813%0.12939%0.385CS..Hα-helixtrans-57.3-50.6176.7174.7-91000111.4F69 F70 F75 V76 K77 H91 A94 A95F69-Y73 WeakPolarHBondContact O-CB 3.33Å; F69-Y73 PolarHBondContact O-N 3.43Å; F70-Y73 PolarHBondContact O-N 2.96Å; Y73-F75 PolarHBondContact O-N 3.25Å; Y73-V76 PolarHBondContact O-N 3.26Å; Y73-K77 HydrophobicContact CE1-CD 4.04Å; Y73-K77 WeakPolarHBondContact O-CB 3.36Å; Y73-K77 PolarHBondContact O-N 2.77Å; Y73-H91 AromaticContact CZ-ND1 3.74Å; Y73-H91 PolarHBondContact OH-CE1 3.4Å; Y73-H91 PolarHBondContact OH-ND1 2.7Å; Y73-A94 HydrophobicContact CD2-CB 3.64Å; Y73-A94 HydrophobicContact CE2-CB 3.91Å; Y73-A94 HydrophobicContact CG-CB 4.23Å; Y73-A94 WeakPolarHBondContact O-CB 3.39Å; Y73-A95 HydrophobicContact CD2-CB 4.32Å; Y73-A95 HydrophobicContact CE2-CB 4.32Å
74E79.6Confident81.5Confident100 Ų10064.2 Ų64.247%0.46737%0.367SS..Hα-helixtrans-64.7-41.7179.2-73-58.6131.100112.1F70 T72 K77 G78F70-E74 WeakPolarHBondContact O-CB 3.37Å; F70-E74 WeakPolarHBondContact O-CG 3.35Å; F70-E74 PolarHBondContact O-N 3.13Å; T72-E74 PolarHBondContact O-N 3.32Å; E74-K77 IonicContact OE1-NZ 3.46Å; E74-K77 PolarHBondContact OE1-NZ 3.37Å; E74-K77 VanDerWaalsContact OE2-CE 3.23Å; E74-K77 WeakPolarHBondContact OE2-CE 3.33Å; E74-K77 IonicContact OE2-NZ 3.06Å; E74-K77 PolarHBondContact OE2-NZ 2.73Å; E74-G78 PolarHBondContact O-N 2.92Å
75F86.2Confident80.4Confident158 Ų15867.9 Ų67.969%0.69339%0.391SS*.Hα-helixtrans-61.8-49.3176.6-179.6-96.9000112L71 T72 Y73 G78 A79L71-F75 VanDerWaalsContact O-CB 3.29Å; L71-F75 WeakPolarHBondContact O-CB 3.37Å; L71-F75 PolarHBondContact O-N 3.46Å; T72-F75 PolarHBondContact O-N 3.44Å; Y73-F75 PolarHBondContact O-N 3.25Å; F75-G78 PolarHBondContact O-N 3.42Å; F75-A79 WeakPolarHBondContact O-CB 3.45Å; F75-A79 PolarHBondContact O-N 2.99Å
76V86Confident79.8Confident20 Ų2070.3 Ų70.312%0.12141%0.407CS..Hα-helixtrans-70.8-38-178.2175.40000110.9T72 Y73 A79 S80 L93 A94 C97T72-V76 HydrophobicContact CG2-CG2 3.9Å; T72-V76 VanDerWaalsContact O-CB 3.29Å; T72-V76 WeakPolarHBondContact O-CB 3.3Å; T72-V76 WeakPolarHBondContact O-CG2 3.34Å; T72-V76 PolarHBondContact O-N 3.19Å; Y73-V76 PolarHBondContact O-N 3.26Å; V76-A79 PolarHBondContact O-N 3.35Å; V76-S80 WeakPolarHBondContact O-CB 3.31Å; V76-S80 PolarHBondContact O-N 2.69Å; V76-S80 PolarHBondContact O-OG 3.04Å; V76-L93 HydrophobicContact CG1-CD2 3.48Å; V76-L93 VanDerWaalsContact CG1-CD2 3.48Å; V76-L93 HydrophobicContact CG1-CG 4.34Å; V76-A94 HydrophobicContact CB-CB 4.08Å; V76-A94 HydrophobicContact CG1-CB 4Å; V76-C97 HydrophobicContact CB-CB 4.42Å; V76-C97 HydrophobicContact CG1-CB 4.21Å; V76-C97 HydrophobicContact CG2-CB 3.83Å
77K79.6Confident79.4Confident40 Ų4073.4 Ų73.417%0.17442%0.415CS..Hα-helixtrans-60-47.4173-176.2-173.670.8-173.30110.5Y73 E74 S80 S81 A94Y73-K77 HydrophobicContact CE1-CD 4.04Å; Y73-K77 WeakPolarHBondContact O-CB 3.36Å; Y73-K77 PolarHBondContact O-N 2.77Å; E74-K77 IonicContact OE1-NZ 3.46Å; E74-K77 PolarHBondContact OE1-NZ 3.37Å; E74-K77 VanDerWaalsContact OE2-CE 3.23Å; E74-K77 WeakPolarHBondContact OE2-CE 3.33Å; E74-K77 IonicContact OE2-NZ 3.06Å; E74-K77 PolarHBondContact OE2-NZ 2.73Å; K77-S80 PolarHBondContact O-N 2.8Å; K77-S80 PolarHBondContact O-OG 3.06Å; K77-S81 WeakPolarHBondContact O-CB 3.27Å; K77-S81 PolarHBondContact O-N 2.85Å; K77-S81 PolarHBondContact O-OG 3.37Å; K77-A94 HydrophobicContact CB-CB 3.91Å
78G79.1Confident78.9Confident54 Ų5475.8 Ų75.856%0.55743%0.428SS*.Hα-helixtrans-60.7-44176.500000112.9E74 F75E74-G78 PolarHBondContact O-N 2.92Å; F75-G78 PolarHBondContact O-N 3.42Å
79A85.3Confident78.3Confident39 Ų3973.6 Ų73.632%0.32242%0.42SS..Hα-helixtrans-71.1-38.5178.700000113.2F75 V76 W83F75-A79 WeakPolarHBondContact O-CB 3.45Å; F75-A79 PolarHBondContact O-N 2.99Å; V76-A79 PolarHBondContact O-N 3.35Å; A79-W83 HydrophobicContact CB-CH2 4.13Å; A79-W83 HydrophobicContact CB-CZ2 4.37Å; A79-W83 WeakPolarHBondContact O-CH2 3.27Å; A79-W83 WeakPolarHBondContact O-CZ2 3.18Å; A79-W83 WeakPolarHBondContact O-CZ3 3.2Å
80S80.4Confident77.9Confident0 Ų071.4 Ų71.40%041%0.411CS..Hα-helixtrans-83.2-20.9-174.762.90000114.3V76 K77 G82 W83 V84 S90V76-S80 WeakPolarHBondContact O-CB 3.31Å; V76-S80 PolarHBondContact O-N 2.69Å; V76-S80 PolarHBondContact O-OG 3.04Å; K77-S80 PolarHBondContact O-N 2.8Å; K77-S80 PolarHBondContact O-OG 3.06Å; S80-G82 PolarHBondContact O-N 3.14Å; S80-G82 VanDerWaalsContact O-N 3.08Å; S80-W83 PolarHBondContact O-N 3.26Å; S80-W83 VanDerWaalsContact O-N 3.16Å; S80-V84 WeakPolarHBondContact O-CB 2.72Å; S80-V84 WeakPolarHBondContact O-CG2 3.37Å; S80-V84 PolarHBondContact O-N 3.46Å; S80-S90 WeakPolarHBondContact OG-CB 3.32Å
81S70.8Confident77.8Confident69 Ų6968.8 Ų68.848%0.48340%0.4SS..THydrogen-bonded Turntrans-61.2-17.8177.7-63.70000113.5K77K77-S81 WeakPolarHBondContact O-CB 3.27Å; K77-S81 PolarHBondContact O-N 2.85Å; K77-S81 PolarHBondContact O-OG 3.37Å
82G71.1Confident77.5Confident75 Ų7568.6 Ų68.677%0.77340%0.397SS*.THydrogen-bonded Turntrans-85-21.3177.300000115.4S80S80-G82 PolarHBondContact O-N 3.14Å; S80-G82 VanDerWaalsContact O-N 3.08Å
83W76.4Confident77.3Confident175 Ų17571.1 Ų71.166%0.66341%0.409SS*.THydrogen-bonded Turntrans-131.5-9.4-174.560.161.1000114.6A79 S80 P85A79-W83 HydrophobicContact CB-CH2 4.13Å; A79-W83 HydrophobicContact CB-CZ2 4.37Å; A79-W83 WeakPolarHBondContact O-CH2 3.27Å; A79-W83 WeakPolarHBondContact O-CZ2 3.18Å; A79-W83 WeakPolarHBondContact O-CZ3 3.2Å; S80-W83 PolarHBondContact O-N 3.26Å; S80-W83 VanDerWaalsContact O-N 3.16Å; W83-P85 WeakPolarHBondContact O-CD 3.16Å
84V72.3Confident77.3Confident35 Ų3569.5 Ų69.521%0.21240%0.403CS..  trans-93.2115.8173.4-177.30000108.7S80 S86S80-V84 WeakPolarHBondContact O-CB 2.72Å; S80-V84 WeakPolarHBondContact O-CG2 3.37Å; S80-V84 PolarHBondContact O-N 3.46Å; V84-S86 PolarHBondContact O-N 2.79Å; V84-S86 VanDerWaalsContact O-N 3.14Å
85P64.3Low77.3Confident138 Ų13866 Ų6690%0.89639%0.392SS*.SBendtrans-64.9-21-172.3-23.833.5000115W83W83-P85 WeakPolarHBondContact O-CD 3.16Å
86S72.4Confident77.1Confident59 Ų5961.2 Ų61.241%0.41338%0.377SS..  trans-112.5132.9-178.664.40000111.1V84 S88 G89 S90V84-S86 PolarHBondContact O-N 2.79Å; V84-S86 VanDerWaalsContact O-N 3.14Å; S86-S88 PolarHBondContact O-N 2.88Å; S86-G89 PolarHBondContact O-N 3.29Å; S86-G89 WeakPolarHBondContact OG-CA 3.41Å; S86-G89 PolarHBondContact OG-N 2.89Å; S86-S90 PolarHBondContact O-N 2.68Å
87H73.4Confident77.2Confident126 Ų12662.7 Ų62.758%0.58339%0.387SS*.Hα-helixtrans-55.2-42.3171.3-67.3-70.2000111.1G89 S90 H91H87-G89 VanDerWaalsContact C-N 3.3Å; H87-G89 PolarHBondContact O-N 3.1Å; H87-S90 PolarHBondContact O-N 3.24Å; H87-S90 PolarHBondContact O-OG 2.87Å; H87-H91 PolarHBondContact O-CD2 2.9Å; H87-H91 PolarHBondContact O-N 3.36Å
88S73.3Confident77.5Confident97 Ų9760.8 Ų60.868%0.67838%0.379SS*.Hα-helixtrans-62.2-37176.3-55.40000112.7S86 M92S86-S88 PolarHBondContact O-N 2.88Å; S88-M92 VanDerWaalsContact O-CB 3.32Å; S88-M92 WeakPolarHBondContact O-CB 3.46Å; S88-M92 PolarHBondContact O-N 3.15Å
89G74.8Confident77.8Confident13 Ų1360.2 Ų60.213%0.13436%0.362CS..Hα-helixtrans-66.4-42.5176.700000112.8S86 H87 M92 L93S86-G89 PolarHBondContact O-N 3.29Å; S86-G89 WeakPolarHBondContact OG-CA 3.41Å; S86-G89 PolarHBondContact OG-N 2.89Å; H87-G89 VanDerWaalsContact C-N 3.3Å; H87-G89 PolarHBondContact O-N 3.1Å; G89-M92 PolarHBondContact O-N 2.97Å; G89-L93 WeakPolarHBondContact O-CB 3.28Å; G89-L93 PolarHBondContact O-N 3.44Å
90S76.8Confident78Confident2 Ų263.2 Ų63.21%0.01437%0.368CS..Hα-helixtrans-65.8-42.1177.463.80000111.4S80 S86 H87 L93 A94S80-S90 WeakPolarHBondContact OG-CB 3.32Å; S86-S90 PolarHBondContact O-N 2.68Å; H87-S90 PolarHBondContact O-N 3.24Å; H87-S90 PolarHBondContact O-OG 2.87Å; S90-L93 PolarHBondContact O-N 2.92Å; S90-A94 WeakPolarHBondContact O-CB 3.42Å; S90-A94 PolarHBondContact O-N 3.06Å
91H78.7Confident78.5Confident65 Ų6565 Ų6530%0.30138%0.378SS..Hα-helixtrans-61.1-44173.4-76.7-67.8000112.6Y73 H87 A94 A95Y73-H91 AromaticContact CZ-ND1 3.74Å; Y73-H91 PolarHBondContact OH-CE1 3.4Å; Y73-H91 PolarHBondContact OH-ND1 2.7Å; H87-H91 PolarHBondContact O-CD2 2.9Å; H87-H91 PolarHBondContact O-N 3.36Å; H91-A94 PolarHBondContact O-N 3.36Å; H91-A95 VanDerWaalsContact O-CB 3.28Å; H91-A95 WeakPolarHBondContact O-CB 3.08Å; H91-A95 PolarHBondContact O-N 3.12Å
92M77.3Confident79.3Confident119 Ų11962 Ų6259%0.58636%0.358SS*.Hα-helixtrans-66.5-44.2179.2-175.5171.266.600111.8S88 G89 A95 C96S88-M92 VanDerWaalsContact O-CB 3.32Å; S88-M92 WeakPolarHBondContact O-CB 3.46Å; S88-M92 PolarHBondContact O-N 3.15Å; G89-M92 PolarHBondContact O-N 2.97Å; M92-A95 PolarHBondContact O-N 2.93Å; M92-C96 WeakPolarHBondContact O-CB 3.28Å; M92-C96 PolarHBondContact O-N 3.42Å; M92-C96 PolarHBondContact O-SG 2.8Å
93L83Confident80.2Confident76 Ų7658.4 Ų58.440%0.39832%0.321SS..Hα-helixtrans-61.9-46.4176-175.3115.8000110.9V76 G89 S90 A95 C96 C97V76-L93 HydrophobicContact CG1-CD2 3.48Å; V76-L93 VanDerWaalsContact CG1-CD2 3.48Å; V76-L93 HydrophobicContact CG1-CG 4.34Å; G89-L93 WeakPolarHBondContact O-CB 3.28Å; G89-L93 PolarHBondContact O-N 3.44Å; S90-L93 PolarHBondContact O-N 2.92Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 2.59Å; L93-C96 PolarHBondContact O-N 3.2Å; L93-C97 WeakPolarHBondContact O-CB 3.05Å; L93-C97 PolarHBondContact O-N 3.42Å; L93-C97 PolarHBondContact O-SG 3.25Å; L93-C97 VanDerWaalsContact O-SG 3.39Å
94A82Confident80.9Confident0 Ų053.7 Ų53.70%031%0.309CS..Hα-helixtrans-59-43.7175.300000112.5Y73 V76 K77 S90 H91 G98Y73-A94 HydrophobicContact CD2-CB 3.64Å; Y73-A94 HydrophobicContact CE2-CB 3.91Å; Y73-A94 HydrophobicContact CG-CB 4.23Å; Y73-A94 WeakPolarHBondContact O-CB 3.39Å; V76-A94 HydrophobicContact CB-CB 4.08Å; V76-A94 HydrophobicContact CG1-CB 4Å; K77-A94 HydrophobicContact CB-CB 3.91Å; S90-A94 WeakPolarHBondContact O-CB 3.42Å; S90-A94 PolarHBondContact O-N 3.06Å; H91-A94 PolarHBondContact O-N 3.36Å; A94-G98 PolarHBondContact O-N 3.14Å
95A80.5Confident81.8Confident27 Ų2754 Ų5422%0.22331%0.311CS..Hα-helixtrans-64.1-45176.800000111.7Y73 H91 M92 L93 G98 E99Y73-A95 HydrophobicContact CD2-CB 4.32Å; Y73-A95 HydrophobicContact CE2-CB 4.32Å; H91-A95 VanDerWaalsContact O-CB 3.28Å; H91-A95 WeakPolarHBondContact O-CB 3.08Å; H91-A95 PolarHBondContact O-N 3.12Å; M92-A95 PolarHBondContact O-N 2.93Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 2.59Å; A95-G98 PolarHBondContact O-N 3.15Å; A95-E99 WeakPolarHBondContact O-CB 3.38Å; A95-E99 PolarHBondContact O-N 2.77Å
96C82.5Confident83Confident57 Ų5750.1 Ų50.139%0.38528%0.278SS..Hα-helixtrans-62.6-45.7177.5-72.90000112.3M92 L93 E99 F100M92-C96 WeakPolarHBondContact O-CB 3.28Å; M92-C96 PolarHBondContact O-N 3.42Å; M92-C96 PolarHBondContact O-SG 2.8Å; L93-C96 PolarHBondContact O-N 3.2Å; C96-E99 PolarHBondContact O-N 3.2Å; C96-F100 WeakPolarHBondContact O-CB 3.46Å; C96-F100 PolarHBondContact O-N 2.68Å
97C87.7Confident83.9Confident50 Ų5047.3 Ų47.334%0.33826%0.258SS..Hα-helixtrans-64.8-43175.7-69.60000111.5T72 V76 L93 E99 F100 V101T72-C97 HydrophobicContact CG2-CB 4.09Å; V76-C97 HydrophobicContact CB-CB 4.42Å; V76-C97 HydrophobicContact CG1-CB 4.21Å; V76-C97 HydrophobicContact CG2-CB 3.83Å; L93-C97 WeakPolarHBondContact O-CB 3.05Å; L93-C97 PolarHBondContact O-N 3.42Å; L93-C97 PolarHBondContact O-SG 3.25Å; L93-C97 VanDerWaalsContact O-SG 3.39Å; C97-E99 VanDerWaalsContact C-N 3.35Å; C97-E99 PolarHBondContact O-N 3.28Å; C97-F100 PolarHBondContact O-N 3.48Å; C97-V101 WeakPolarHBondContact O-CG2 3.2Å; C97-V101 PolarHBondContact O-N 2.88Å
98G86.2Confident84.8Confident0 Ų042.2 Ų42.20%024%0.237CC..Hα-helixtrans-58.2-46175.600000112.1F69 A94 A95 V101 A102F69-G98 VanDerWaalsContact CD2-C 3.43Å; A94-G98 PolarHBondContact O-N 3.14Å; A95-G98 PolarHBondContact O-N 3.15Å; G98-V101 PolarHBondContact O-N 2.96Å; G98-A102 VanDerWaalsContact O-CB 3.28Å; G98-A102 WeakPolarHBondContact O-CB 3.46Å; G98-A102 PolarHBondContact O-N 3.19Å
99E85.6Confident85.6Confident42 Ų4238.7 Ų38.720%0.19621%0.211CC..Hα-helixtrans-64-42.1177.7-171.255.3-13200111.6F69 A95 C96 C97 V101 A102 C103 R106 E151F69-E99 HydrophobicContact CE2-CB 4.4Å; A95-E99 WeakPolarHBondContact O-CB 3.38Å; A95-E99 PolarHBondContact O-N 2.77Å; C96-E99 PolarHBondContact O-N 3.2Å; C97-E99 VanDerWaalsContact C-N 3.35Å; C97-E99 PolarHBondContact O-N 3.28Å; E99-V101 PolarHBondContact O-N 3.34Å; E99-A102 PolarHBondContact O-N 3.24Å; E99-C103 PolarHBondContact O-N 2.89Å; E99-C103 PolarHBondContact O-SG 3.41Å; E99-R106 IonicContact OE1-CZ 3.29Å; E99-R106 IonicContact OE1-NE 3.05Å; E99-R106 IonicContact OE1-NH2 2.68Å; E99-R106 PolarHBondContact OE1-NH2 2.81Å; E99-E151 HydrophobicContact CG-CB 3.89Å; E99-E151 HydrophobicContact CG-CG 3.97Å
100F89.3Confident86.4Confident103 Ų10339.2 Ų39.245%0.45221%0.21SC..Hα-helixtrans-60.8-45.1176.4-175.1-87.3000112.2C96 C97 C103 F144 V148C96-F100 WeakPolarHBondContact O-CB 3.46Å; C96-F100 PolarHBondContact O-N 2.68Å; C97-F100 PolarHBondContact O-N 3.48Å; F100-C103 WeakPolarHBondContact O-CB 3.32Å; F100-C103 PolarHBondContact O-N 2.86Å; F100-F144 HydrophobicContact CD2-CE1 4.29Å; F100-F144 HydrophobicContact CD2-CZ 4.24Å; F100-F144 HydrophobicContact CE1-CZ 4.34Å; F100-F144 AromaticContact CE2-CE1 3.62Å; F100-F144 HydrophobicContact CE2-CE1 3.62Å; F100-F144 AromaticContact CE2-CZ 3.86Å; F100-F144 HydrophobicContact CE2-CZ 3.86Å; F100-F144 AromaticContact CZ-CE1 3.87Å; F100-F144 HydrophobicContact CZ-CE1 3.87Å; F100-F144 AromaticContact CZ-CZ 3.9Å; F100-F144 HydrophobicContact CZ-CZ 3.9Å; F100-V148 HydrophobicContact CD2-CG2 4.2Å
101V90.4Very high87Confident36 Ų3639.1 Ų39.122%0.21821%0.209CC..Hα-helixtrans-69.1-40.5177.9177.90000110.9L68 T72 C97 G98 E99 C103 L104L68-V101 HydrophobicContact CB-CG1 4.18Å; L68-V101 HydrophobicContact CD1-CG1 4.47Å; L68-V101 HydrophobicContact CD2-CG1 4.36Å; T72-V101 HydrophobicContact CG2-CB 4.24Å; T72-V101 HydrophobicContact CG2-CG2 3.79Å; C97-V101 WeakPolarHBondContact O-CG2 3.2Å; C97-V101 PolarHBondContact O-N 2.88Å; G98-V101 PolarHBondContact O-N 2.96Å; E99-V101 PolarHBondContact O-N 3.34Å; V101-C103 PolarHBondContact O-N 2.76Å; V101-L104 HydrophobicContact CG1-CD1 4.44Å; V101-L104 VanDerWaalsContact O-CB 3.27Å; V101-L104 WeakPolarHBondContact O-CB 3.41Å; V101-L104 WeakPolarHBondContact O-CG 3.12Å; V101-L104 PolarHBondContact O-N 2.83Å
102A88.4Confident87.7Confident6 Ų637 Ų375%0.0520%0.2CC..Hα-helixtrans-60-34.3175.100000112.3F69 G98 E99 L104 V105 R106F69-A102 HydrophobicContact CB-CB 3.95Å; G98-A102 VanDerWaalsContact O-CB 3.28Å; G98-A102 WeakPolarHBondContact O-CB 3.46Å; G98-A102 PolarHBondContact O-N 3.19Å; E99-A102 PolarHBondContact O-N 3.24Å; A102-L104 PolarHBondContact O-N 3.45Å; A102-V105 PolarHBondContact O-N 3.28Å; A102-R106 VanDerWaalsContact O-CB 3.29Å; A102-R106 WeakPolarHBondContact O-CB 3.26Å; A102-R106 PolarHBondContact O-N 3.47Å
103C89.8Confident88.3Confident1 Ų132 Ų321%0.00718%0.175CC..Hα-helixtrans-57.5-27.3173.9-70.60000113.1E99 F100 V101 V105 R106 V107 F144E99-C103 PolarHBondContact O-N 2.89Å; E99-C103 PolarHBondContact O-SG 3.41Å; F100-C103 WeakPolarHBondContact O-CB 3.32Å; F100-C103 PolarHBondContact O-N 2.86Å; V101-C103 PolarHBondContact O-N 2.76Å; C103-V105 VanDerWaalsContact C-N 3.28Å; C103-V105 PolarHBondContact O-N 2.98Å; C103-R106 PolarHBondContact O-N 3.29Å; C103-R106 PolarHBondContact SG-NH2 3.46Å; C103-V107 HydrophobicContact CB-CG2 4.07Å; C103-V107 VanDerWaalsContact O-CB 3.24Å; C103-V107 WeakPolarHBondContact O-CB 3.35Å; C103-V107 WeakPolarHBondContact O-CG2 3.39Å; C103-V107 PolarHBondContact O-N 3.06Å; C103-F144 HydrophobicContact CB-CD2 4.17Å; C103-F144 HydrophobicContact CB-CE2 3.45Å; C103-F144 VanDerWaalsContact CB-CE2 3.45Å; C103-F144 HydrophobicContact CB-CZ 3.93Å
104L91.2Very high88.7Confident76 Ų7628.4 Ų28.440%0.39816%0.156SC..Hα-helixtrans-62.8-36.2180-63.5174.5000112.2V101 A102 P108 Y141 F144V101-L104 HydrophobicContact CG1-CD1 4.44Å; V101-L104 VanDerWaalsContact O-CB 3.27Å; V101-L104 WeakPolarHBondContact O-CB 3.41Å; V101-L104 WeakPolarHBondContact O-CG 3.12Å; V101-L104 PolarHBondContact O-N 2.83Å; A102-L104 PolarHBondContact O-N 3.45Å; L104-P108 VanDerWaalsContact O-CD 3.29Å; L104-P108 WeakPolarHBondContact O-CD 3.44Å; L104-Y141 WeakPolarHBondContact O-CE1 3.44Å; L104-Y141 PolarHBondContact O-OH 3.2Å; L104-F144 HydrophobicContact CD2-CE2 3.94Å; L104-F144 HydrophobicContact CD2-CZ 4.23Å
105V90.7Very high89.1Confident42 Ų4229.1 Ų29.126%0.25516%0.159SC..Hα-helixtrans-89.3-40175.41720000111.2P64 L68 A102 C103 P108 T109P64-V105 HydrophobicContact CB-CG1 4.21Å; L68-V105 HydrophobicContact CD1-CB 4.35Å; L68-V105 HydrophobicContact CD1-CG2 3.4Å; A102-V105 PolarHBondContact O-N 3.28Å; C103-V105 VanDerWaalsContact C-N 3.28Å; C103-V105 PolarHBondContact O-N 2.98Å; V105-P108 WeakPolarHBondContact O-CD 3.24Å; V105-T109 PolarHBondContact O-OG1 3.42Å
106R89.1Confident89.6Confident56 Ų5627.9 Ų27.921%0.21115%0.148CC..Hα-helixtrans-71.1-34.8-172.6-175.5173.160.187.4-4113.3E99 A102 C103 T109 E110 T147 E151E99-R106 IonicContact OE1-CZ 3.29Å; E99-R106 IonicContact OE1-NE 3.05Å; E99-R106 IonicContact OE1-NH2 2.68Å; E99-R106 PolarHBondContact OE1-NH2 2.81Å; A102-R106 VanDerWaalsContact O-CB 3.29Å; A102-R106 WeakPolarHBondContact O-CB 3.26Å; A102-R106 PolarHBondContact O-N 3.47Å; C103-R106 PolarHBondContact O-N 3.29Å; C103-R106 PolarHBondContact SG-NH2 3.46Å; R106-T109 PolarHBondContact O-N 3.49Å; R106-T109 PolarHBondContact O-OG1 3Å; R106-E110 WeakPolarHBondContact O-CB 3.48Å; R106-E110 PolarHBondContact O-N 3.42Å; R106-T147 VanDerWaalsContact NH1-CG2 3.34Å; R106-E151 IonicContact CZ-OE1 3.09Å; R106-E151 VanDerWaalsContact CZ-OE1 3.3Å; R106-E151 IonicContact NH1-OE1 3.88Å; R106-E151 PolarHBondContact NH1-OE1 2.87Å; R106-E151 VanDerWaalsContact NH2-CG 3.27Å; R106-E151 IonicContact NH2-OE1 3.76Å; R106-E151 PolarHBondContact NH2-OE1 3.44Å
107V91Very high89.9Confident0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-66.3-48.2-177171.40000111.9C103 T109 E110 V111 F144 T147 M208C103-V107 HydrophobicContact CB-CG2 4.07Å; C103-V107 VanDerWaalsContact O-CB 3.24Å; C103-V107 WeakPolarHBondContact O-CB 3.35Å; C103-V107 WeakPolarHBondContact O-CG2 3.39Å; C103-V107 PolarHBondContact O-N 3.06Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 2.86Å; V107-E110 PolarHBondContact O-N 3.46Å; V107-V111 HydrophobicContact CG1-CG2 4.18Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.34Å; V107-V111 PolarHBondContact O-N 2.88Å; V107-F144 HydrophobicContact CB-CD2 4.19Å; V107-F144 HydrophobicContact CG1-CB 4.29Å; V107-F144 HydrophobicContact CG1-CD2 4.45Å; V107-F144 HydrophobicContact CG2-CD2 3.79Å; V107-F144 HydrophobicContact CG2-CE2 4.46Å; V107-T147 HydrophobicContact CG2-CG2 4.1Å; V107-M208 HydrophobicContact CG1-CE 4.25Å
108P91.9Very high89.9Confident19 Ų1923.6 Ų23.612%0.12312%0.12CC..Hα-helixtrans-53.9-45.6174-30.736.9000114.3L104 V105 I112 L140 Y141L104-P108 VanDerWaalsContact O-CD 3.29Å; L104-P108 WeakPolarHBondContact O-CD 3.44Å; V105-P108 WeakPolarHBondContact O-CD 3.24Å; P108-I112 WeakPolarHBondContact O-CD1 3.27Å; P108-I112 WeakPolarHBondContact O-CG1 3.46Å; P108-I112 PolarHBondContact O-N 3.27Å; P108-L140 WeakPolarHBondContact CA-O 3.49Å; P108-L140 HydrophobicContact CB-CB 4.11Å; P108-L140 HydrophobicContact CG-CB 4.4Å; P108-Y141 HydrophobicContact CG-CD1 4.25Å; P108-Y141 HydrophobicContact CG-CD2 4.49Å; P108-Y141 HydrophobicContact CG-CE1 3.76Å; P108-Y141 HydrophobicContact CG-CE2 4.04Å
109T91.4Very high89.8Confident22 Ų2229.3 Ų29.314%0.13515%0.145CC..Hα-helixtrans-69-40.4-179.855.90000111.8S57 V105 R106 V107 I112 K113S57-T109 WeakPolarHBondContact O-CB 3.39Å; S57-T109 WeakPolarHBondContact O-CG2 3.48Å; S57-T109 PolarHBondContact OG-O 2.87Å; V105-T109 PolarHBondContact O-OG1 3.42Å; R106-T109 PolarHBondContact O-N 3.49Å; R106-T109 PolarHBondContact O-OG1 3Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 2.86Å; T109-I112 PolarHBondContact O-N 2.87Å; T109-K113 VanDerWaalsContact O-CB 3.29Å; T109-K113 WeakPolarHBondContact O-CB 3.41Å; T109-K113 PolarHBondContact O-N 3.1Å
110E90Very high89.1Confident24 Ų2429.2 Ų29.211%0.11215%0.148CC..Hα-helixtrans-65-40.1176.2-17773172.500112.3R106 V107 I112 K113 Q114 K204 M208R106-E110 WeakPolarHBondContact O-CB 3.48Å; R106-E110 PolarHBondContact O-N 3.42Å; V107-E110 PolarHBondContact O-N 3.46Å; E110-I112 PolarHBondContact O-N 3.37Å; E110-K113 WeakPolarHBondContact O-CB 2.94Å; E110-K113 PolarHBondContact O-N 3.49Å; E110-K113 VanDerWaalsContact OE2-CD 3.25Å; E110-K113 WeakPolarHBondContact OE2-CD 3.41Å; E110-K113 IonicContact OE2-NZ 3.06Å; E110-K113 PolarHBondContact OE2-NZ 3.45Å; E110-Q114 HydrophobicContact CG-CG 4.33Å; E110-Q114 WeakPolarHBondContact O-CB 3.42Å; E110-Q114 WeakPolarHBondContact O-CG 3.17Å; E110-Q114 PolarHBondContact O-N 3.11Å; E110-Q114 PolarHBondContact OE1-NE2 3.07Å; E110-K204 IonicContact OE1-NZ 3.75Å; E110-K204 PolarHBondContact OE1-NZ 3.44Å; E110-M208 HydrophobicContact CG-CE 4.16Å; E110-M208 HydrophobicContact CG-SD 3.9Å
111V91.4Very high88Confident0 Ų029.4 Ų29.40%017%0.169CC..Hα-helixtrans-63.1-43.8177.1169.30000110.9V107 R115 I131 L140 R142 M208V107-V111 HydrophobicContact CG1-CG2 4.18Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.34Å; V107-V111 PolarHBondContact O-N 2.88Å; V111-R115 WeakPolarHBondContact O-CB 3.25Å; V111-R115 VanDerWaalsContact O-CG 3.31Å; V111-R115 WeakPolarHBondContact O-CG 3.25Å; V111-R115 PolarHBondContact O-N 3.35Å; V111-R115 VanDerWaalsContact O-N 3.11Å; V111-I131 HydrophobicContact CG1-CD1 4.21Å; V111-L140 WeakPolarHBondContact CG2-O 3.25Å; V111-R142 WeakPolarHBondContact CG2-O 3.4Å; V111-M208 HydrophobicContact CG2-CB 4.35Å; V111-M208 HydrophobicContact CG2-CE 4.02Å; V111-M208 HydrophobicContact CG2-CG 3.93Å; V111-M208 HydrophobicContact CG2-SD 4.04Å
112I91.7Very high87.2Confident22 Ų2229.2 Ų29.211%0.11317%0.171CC..Hα-helixtrans-63.8-48.9176.8-65.5164.3000109.9P108 T109 E110 Q114 R115 S116 V124 V127 A128 I131 L140P108-I112 WeakPolarHBondContact O-CD1 3.27Å; P108-I112 WeakPolarHBondContact O-CG1 3.46Å; P108-I112 PolarHBondContact O-N 3.27Å; T109-I112 PolarHBondContact O-N 2.87Å; E110-I112 PolarHBondContact O-N 3.37Å; I112-Q114 PolarHBondContact O-N 3.44Å; I112-R115 PolarHBondContact O-N 3.23Å; I112-S116 WeakPolarHBondContact O-CB 3.23Å; I112-S116 PolarHBondContact O-N 2.81Å; I112-S116 PolarHBondContact O-OG 2.68Å; I112-V124 HydrophobicContact CG2-CG1 3.6Å; I112-V127 HydrophobicContact CG2-CB 4.48Å; I112-V127 HydrophobicContact CG2-CG1 4.22Å; I112-A128 HydrophobicContact CD1-CB 3.89Å; I112-A128 HydrophobicContact CG1-CB 4.26Å; I112-I131 HydrophobicContact CG1-CD1 4.06Å; I112-L140 HydrophobicContact CD1-CD2 3.92Å; I112-L140 HydrophobicContact CG1-CD2 3.88Å
113K91.3Very high87Confident14 Ų1432.2 Ų32.26%0.06119%0.192CC..Hα-helixtrans-51.7-57.6176.5178.7-157.8168.7171.40111.8D30 S57 I58 T109 E110 R115 S116 Q117D30-K113 IonicContact OD1-NZ 3.56Å; D30-K113 WeakPolarHBondContact OD2-CE 3.12Å; D30-K113 IonicContact OD2-NZ 2.72Å; D30-K113 PolarHBondContact OD2-NZ 3.38Å; S57-K113 WeakPolarHBondContact OG-CA 3.43Å; S57-K113 VanDerWaalsContact OG-CB 3.29Å; S57-K113 WeakPolarHBondContact OG-CB 3.28Å; I58-K113 HydrophobicContact CD1-CD 3.54Å; I58-K113 HydrophobicContact CD1-CG 4.17Å; I58-K113 VanDerWaalsContact CD1-NZ 3.35Å; I58-K113 HydrophobicContact CG1-CD 3.61Å; I58-K113 HydrophobicContact CG1-CG 4.04Å; T109-K113 VanDerWaalsContact O-CB 3.29Å; T109-K113 WeakPolarHBondContact O-CB 3.41Å; T109-K113 PolarHBondContact O-N 3.1Å; E110-K113 WeakPolarHBondContact O-CB 2.94Å; E110-K113 PolarHBondContact O-N 3.49Å; E110-K113 VanDerWaalsContact OE2-CD 3.25Å; E110-K113 WeakPolarHBondContact OE2-CD 3.41Å; E110-K113 IonicContact OE2-NZ 3.06Å; E110-K113 PolarHBondContact OE2-NZ 3.45Å; K113-R115 VanDerWaalsContact C-N 3.31Å; K113-R115 PolarHBondContact O-N 3.34Å; K113-S116 WeakPolarHBondContact O-CB 3.1Å; K113-S116 PolarHBondContact O-N 2.73Å; K113-S116 VanDerWaalsContact O-N 3.12Å; K113-Q117 WeakPolarHBondContact O-CG 3.4Å; K113-Q117 PolarHBondContact O-N 3.48Å
114Q90.8Very high86.9Confident0 Ų033.7 Ų33.70%020%0.201CC..Hα-helixtrans-62.9-39.4-175.1-70.3-170.91.700111.5T34 E110 I112 Q117 A118 M208 L209T34-Q114 HydrophobicContact CG2-CB 4Å; T34-Q114 HydrophobicContact CG2-CG 4.15Å; E110-Q114 HydrophobicContact CG-CG 4.33Å; E110-Q114 WeakPolarHBondContact O-CB 3.42Å; E110-Q114 WeakPolarHBondContact O-CG 3.17Å; E110-Q114 PolarHBondContact O-N 3.11Å; E110-Q114 PolarHBondContact OE1-NE2 3.07Å; I112-Q114 PolarHBondContact O-N 3.44Å; Q114-Q117 PolarHBondContact O-N 3.49Å; Q114-A118 WeakPolarHBondContact O-CB 3.43Å; Q114-A118 PolarHBondContact O-N 3.21Å; Q114-M208 PolarHBondContact OE1-SD 3.46Å; Q114-L209 HydrophobicContact CB-CD2 4.13Å; Q114-L209 WeakPolarHBondContact O-CD2 3.23Å
115R90.8Very high86.8Confident15 Ų1532.5 Ų32.56%0.05721%0.207CC..Hα-helixtrans-64.6-40.1174.7-75.5175.7177-127.3-10112.4V111 I112 K113 A118 K119 V127 M208 L209 S210V111-R115 WeakPolarHBondContact O-CB 3.25Å; V111-R115 VanDerWaalsContact O-CG 3.31Å; V111-R115 WeakPolarHBondContact O-CG 3.25Å; V111-R115 PolarHBondContact O-N 3.35Å; V111-R115 VanDerWaalsContact O-N 3.11Å; I112-R115 PolarHBondContact O-N 3.23Å; K113-R115 VanDerWaalsContact C-N 3.31Å; K113-R115 PolarHBondContact O-N 3.34Å; R115-A118 PolarHBondContact O-N 3.02Å; R115-K119 WeakPolarHBondContact O-CB 3.16Å; R115-K119 PolarHBondContact O-N 3.18Å; R115-V127 HydrophobicContact CB-CG1 3.62Å; R115-M208 PolarHBondContact NE-O 2.7Å; R115-M208 PolarHBondContact NH2-O 3.23Å; R115-L209 HydrophobicContact CG-CD2 4.14Å; R115-S210 PolarHBondContact NH2-O 3.48Å
116S90.5Very high86.8Confident1 Ų137.6 Ų37.61%0.00723%0.225CC..Hα-helixtrans-63.1-40.3172.2-71.70000112.1A53 I112 K113 A118 K119 V127A53-S116 WeakPolarHBondContact CB-O 3.45Å; I112-S116 WeakPolarHBondContact O-CB 3.23Å; I112-S116 PolarHBondContact O-N 2.81Å; I112-S116 PolarHBondContact O-OG 2.68Å; K113-S116 WeakPolarHBondContact O-CB 3.1Å; K113-S116 PolarHBondContact O-N 2.73Å; K113-S116 VanDerWaalsContact O-N 3.12Å; S116-A118 PolarHBondContact O-N 3.37Å; S116-K119 CarbonylContact O-C 3.29Å; S116-K119 VanDerWaalsContact O-C 3.29Å; S116-K119 PolarHBondContact O-N 3.04Å; S116-V127 WeakPolarHBondContact OG-CG2 3.3Å
117Q89Confident86.9Confident0 Ų035.2 Ų35.20%022%0.217CC..Hα-helixtrans-64.3-38.2176.9-71.9175.3-31.400112.3D30 T31 T34 R35 A53 K113 Q114D30-Q117 PolarHBondContact OD2-NE2 3.41Å; T31-Q117 HydrophobicContact CG2-CB 4.12Å; T31-Q117 HydrophobicContact CG2-CG 4.17Å; T31-Q117 WeakPolarHBondContact OG1-CG 3.25Å; T31-Q117 PolarHBondContact OG1-NE2 3.27Å; T31-Q117 VanDerWaalsContact OG1-NE2 3.1Å; T34-Q117 HydrophobicContact CG2-CB 4.07Å; T34-Q117 PolarHBondContact OG1-OE1 2.99Å; R35-Q117 PolarHBondContact NE-O 2.92Å; R35-Q117 PolarHBondContact NH2-O 3.43Å; A53-Q117 WeakPolarHBondContact O-CG 3.3Å; K113-Q117 WeakPolarHBondContact O-CG 3.4Å; K113-Q117 PolarHBondContact O-N 3.48Å; Q114-Q117 PolarHBondContact O-N 3.49Å
118A87.5Confident86.9Confident16 Ų1636.2 Ų36.213%0.13223%0.225CC..Hα-helixtrans-82.2-21178.200000114.2Q114 R115 S116 L209Q114-A118 WeakPolarHBondContact O-CB 3.43Å; Q114-A118 PolarHBondContact O-N 3.21Å; R115-A118 PolarHBondContact O-N 3.02Å; S116-A118 PolarHBondContact O-N 3.37Å; A118-L209 HydrophobicContact CB-CD1 4.04Å; A118-L209 HydrophobicContact CB-CD2 3.59Å; A118-L209 HydrophobicContact CB-CG 4.46Å
119K84.8Confident86.9Confident121 Ų12138 Ų3853%0.52624%0.242SC..SBendtrans-125.377.4177.9-66.4-173.9177.8-177.50110.5R115 S116 A121 A122R115-K119 WeakPolarHBondContact O-CB 3.16Å; R115-K119 PolarHBondContact O-N 3.18Å; S116-K119 CarbonylContact O-C 3.29Å; S116-K119 VanDerWaalsContact O-C 3.29Å; S116-K119 PolarHBondContact O-N 3.04Å; K119-A121 PolarHBondContact O-N 3.43Å; K119-A122 PolarHBondContact O-N 3.39Å
120P69.3Low86.9Confident39 Ų3940 Ų4025%0.25326%0.257SS..THydrogen-bonded Turntrans-63-13.9-168.124.7-36.4000115.8
121A66.9Low86.8Confident108 Ų10838.9 Ų38.989%0.89325%0.251SS*.THydrogen-bonded Turntrans-82-12-17700000114.3K119K119-A121 PolarHBondContact O-N 3.43Å
122A73.7Confident86.8Confident32 Ų3242.8 Ų42.826%0.26427%0.272SS..SBendtrans-105.3131.1-17400000112K119 K126 V127K119-A122 PolarHBondContact O-N 3.39Å; A122-K126 HydrophobicContact CB-CB 4.49Å; A122-V127 HydrophobicContact CB-CG2 3.52Å
123S84.7Confident86.8Confident68 Ų6846.1 Ų46.148%0.47630%0.303SS..  trans-63.1153.216966.40000110.7G125 K126 V127S123-G125 PolarHBondContact O-N 2.89Å; S123-K126 PolarHBondContact O-N 3.22Å; S123-K126 WeakPolarHBondContact OG-CG 3.28Å; S123-K126 PolarHBondContact OG-N 3.41Å; S123-V127 PolarHBondContact O-N 2.91Å
124V87.9Confident86.6Confident33 Ų3348.8 Ų48.820%0.232%0.323CS..Hα-helixtrans-50.6-43.3179175.70000111.6P56 I112 V127 A128P56-V124 HydrophobicContact CB-CG2 4.49Å; P56-V124 HydrophobicContact CG-CG2 4.4Å; I112-V124 HydrophobicContact CG2-CG1 3.6Å; V124-V127 PolarHBondContact O-N 3.47Å; V124-A128 WeakPolarHBondContact O-CB 3.43Å; V124-A128 PolarHBondContact O-N 2.92Å
125G89.5Confident86.4Confident51 Ų5149.9 Ų49.953%0.52633%0.331SS..Hα-helixtrans-64.6-41.2177.100000113.6S123 A128 A129S123-G125 PolarHBondContact O-N 2.89Å; G125-A128 PolarHBondContact O-N 2.88Å; G125-A129 WeakPolarHBondContact O-CB 3.38Å; G125-A129 PolarHBondContact O-N 3Å
126K90.6Very high86.3Confident148 Ų14850.2 Ų50.264%0.64334%0.339SS*.Hα-helixtrans-65.7-39.1175.1-74.1-178.8-179.3-177.40111.6A122 S123 S130A122-K126 HydrophobicContact CB-CB 4.49Å; S123-K126 PolarHBondContact O-N 3.22Å; S123-K126 WeakPolarHBondContact OG-CG 3.28Å; S123-K126 PolarHBondContact OG-N 3.41Å; K126-S130 VanDerWaalsContact O-CB 3.32Å; K126-S130 WeakPolarHBondContact O-CB 3.15Å; K126-S130 PolarHBondContact O-N 3.5Å; K126-S130 PolarHBondContact O-OG 3.42Å
127V90.3Very high86.2Confident6 Ų654.6 Ų54.64%0.03637%0.368CS..Hα-helixtrans-62.5-50174.7173.30000110.4I112 R115 S116 A122 S123 V124 A129 S130 I131I112-V127 HydrophobicContact CG2-CB 4.48Å; I112-V127 HydrophobicContact CG2-CG1 4.22Å; R115-V127 HydrophobicContact CB-CG1 3.62Å; S116-V127 WeakPolarHBondContact OG-CG2 3.3Å; A122-V127 HydrophobicContact CB-CG2 3.52Å; S123-V127 PolarHBondContact O-N 2.91Å; V124-V127 PolarHBondContact O-N 3.47Å; V127-A129 PolarHBondContact O-N 3.32Å; V127-S130 PolarHBondContact O-N 2.87Å; V127-S130 PolarHBondContact O-OG 3.31Å; V127-I131 HydrophobicContact CG1-CD1 3.93Å; V127-I131 VanDerWaalsContact O-CG1 3.28Å; V127-I131 WeakPolarHBondContact O-CG1 3.43Å; V127-I131 PolarHBondContact O-N 2.97Å
128A91.1Very high86.1Confident21 Ų2156.8 Ų56.817%0.17439%0.386CS..Hα-helixtrans-58.2-48.7177.300000112.2I112 V124 G125 S130 I131 L132I112-A128 HydrophobicContact CD1-CB 3.89Å; I112-A128 HydrophobicContact CG1-CB 4.26Å; V124-A128 WeakPolarHBondContact O-CB 3.43Å; V124-A128 PolarHBondContact O-N 2.92Å; G125-A128 PolarHBondContact O-N 2.88Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.39Å; A128-I131 PolarHBondContact O-N 3.37Å; A128-L132 WeakPolarHBondContact O-CG 3.04Å; A128-L132 PolarHBondContact O-N 3.25Å
129A92.1Very high86Confident58 Ų5856.2 Ų56.248%0.47938%0.381SS..Hα-helixtrans-59.3-41.6176.700000112.1G125 V127 I131 L132 A133G125-A129 WeakPolarHBondContact O-CB 3.38Å; G125-A129 PolarHBondContact O-N 3Å; V127-A129 PolarHBondContact O-N 3.32Å; A129-I131 VanDerWaalsContact C-N 3.33Å; A129-I131 PolarHBondContact O-N 2.93Å; A129-L132 PolarHBondContact O-N 2.98Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 3.19Å
130S90.2Very high86.2Confident63 Ų6351.8 Ų51.844%0.44136%0.363SS..Hα-helixtrans-65-35177.675.60000113.1K126 V127 A128 S134K126-S130 VanDerWaalsContact O-CB 3.32Å; K126-S130 WeakPolarHBondContact O-CB 3.15Å; K126-S130 PolarHBondContact O-N 3.5Å; K126-S130 PolarHBondContact O-OG 3.42Å; V127-S130 PolarHBondContact O-N 2.87Å; V127-S130 PolarHBondContact O-OG 3.31Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.39Å; S130-S134 VanDerWaalsContact O-CB 3.3Å; S130-S134 WeakPolarHBondContact O-CB 3.29Å; S130-S134 PolarHBondContact O-N 3.34Å; S130-S134 VanDerWaalsContact O-N 3.1Å; S130-S134 PolarHBondContact O-OG 2.93Å
131I89.4Confident87.2Confident0 Ų054.3 Ų54.30%037%0.368CS..Hα-helixtrans-68.3-48.6176.2-63.8159.9000109.6V111 I112 V127 A128 A129 A133 S134 S135 L140V111-I131 HydrophobicContact CG1-CD1 4.21Å; I112-I131 HydrophobicContact CG1-CD1 4.06Å; V127-I131 HydrophobicContact CG1-CD1 3.93Å; V127-I131 VanDerWaalsContact O-CG1 3.28Å; V127-I131 WeakPolarHBondContact O-CG1 3.43Å; V127-I131 PolarHBondContact O-N 2.97Å; A128-I131 PolarHBondContact O-N 3.37Å; A129-I131 VanDerWaalsContact C-N 3.33Å; A129-I131 PolarHBondContact O-N 2.93Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.14Å; I131-S134 PolarHBondContact O-N 3.14Å; I131-S134 PolarHBondContact O-OG 2.93Å; I131-S135 PolarHBondContact O-N 2.61Å; I131-L140 HydrophobicContact CB-CD2 4.37Å; I131-L140 HydrophobicContact CD1-CD2 4.12Å; I131-L140 HydrophobicContact CG2-CD2 3.96Å; I131-L140 HydrophobicContact CG2-CG 4.21Å
132L91.3Very high88.1Confident82 Ų8249.4 Ų49.443%0.42933%0.327SS..Hα-helixtrans-62.1-41.5179.9-70.5173000111.6A128 A129 G136 P137 L140A128-L132 WeakPolarHBondContact O-CG 3.04Å; A128-L132 PolarHBondContact O-N 3.25Å; A129-L132 PolarHBondContact O-N 2.98Å; L132-G136 WeakPolarHBondContact O-CA 3.47Å; L132-G136 PolarHBondContact O-N 2.99Å; L132-P137 HydrophobicContact CD2-CG 4.48Å; L132-L140 HydrophobicContact CD2-CD1 3.83Å; L132-L140 HydrophobicContact CD2-CG 4.31Å; L132-L140 HydrophobicContact CG-CD1 4.48Å
133A90.8Very high88.7Confident92 Ų9248.3 Ų48.376%0.7632%0.318SS*.Hα-helixtrans-67.5-34.8177.400000113.2A129 I131A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 3.19Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.14Å
134S87.9Confident88.9Confident71 Ų7146.7 Ų46.750%0.49730%0.303SS..Hα-helixtrans-94.3-27.2-173.859.80000115.1S130 I131S130-S134 VanDerWaalsContact O-CB 3.3Å; S130-S134 WeakPolarHBondContact O-CB 3.29Å; S130-S134 PolarHBondContact O-N 3.34Å; S130-S134 VanDerWaalsContact O-N 3.1Å; S130-S134 PolarHBondContact O-OG 2.93Å; I131-S134 PolarHBondContact O-N 3.14Å; I131-S134 PolarHBondContact O-OG 2.93Å
135S85.7Confident88.8Confident22 Ų2250.4 Ų50.415%0.15433%0.325CS..Hα-helixtrans-137.43.2-173.9-61.60000113.1I131 G139I131-S135 PolarHBondContact O-N 2.61Å; S135-G139 PolarHBondContact O-N 3.41Å
136G88.3Confident88.8Confident23 Ų2348.1 Ų48.124%0.23730%0.302CS..THydrogen-bonded Turntrans62.5-166.7-173.300000113.3L132 A138 G139L132-G136 WeakPolarHBondContact O-CA 3.47Å; L132-G136 PolarHBondContact O-N 2.99Å; G136-A138 PolarHBondContact O-N 3.43Å; G136-G139 PolarHBondContact O-N 2.86Å; G136-G139 VanDerWaalsContact O-N 3.08Å
137P88.3Confident88.7Confident92 Ų9241.1 Ų41.160%0.59727%0.271SS*.G310 helixtrans-58.4-30.9176.9-25.335.1000113.6L132 G139 L140L132-P137 HydrophobicContact CD2-CG 4.48Å; P137-G139 PolarHBondContact O-N 3.29Å; P137-L140 WeakPolarHBondContact O-CB 3.34Å; P137-L140 PolarHBondContact O-N 2.92Å
138A86.9Confident88.6Confident47 Ų4742.1 Ų42.139%0.38828%0.277SS..G310 helixtrans-59.4-29.6176.700000112.6G136 L140 Y141 R142G136-A138 PolarHBondContact O-N 3.43Å; A138-L140 VanDerWaalsContact C-N 3.27Å; A138-L140 PolarHBondContact O-N 2.87Å; A138-Y141 PolarHBondContact O-N 3.32Å; A138-Y141 VanDerWaalsContact O-N 3.16Å; A138-R142 PolarHBondContact O-N 3.38Å
139G86.5Confident88.4Confident3 Ų342.9 Ų42.93%0.03128%0.281CS..G310 helixtrans-62.1-30.5175.300000114.1S135 G136 P137 Y141 R142S135-G139 PolarHBondContact O-N 3.41Å; G136-G139 PolarHBondContact O-N 2.86Å; G136-G139 VanDerWaalsContact O-N 3.08Å; P137-G139 PolarHBondContact O-N 3.29Å; G139-Y141 VanDerWaalsContact C-N 3.29Å; G139-R142 VanDerWaalsContact O-CB 3.25Å; G139-R142 WeakPolarHBondContact O-CB 3.29Å; G139-R142 PolarHBondContact O-N 2.86Å
140L89.5Confident88.3Confident28 Ų2841.8 Ų41.815%0.14727%0.265CS..G310 helixtrans-72.7-23.5177-65.9174.2000112.6P108 V111 I112 I131 L132 P137 A138P108-L140 WeakPolarHBondContact CA-O 3.49Å; P108-L140 HydrophobicContact CB-CB 4.11Å; P108-L140 HydrophobicContact CG-CB 4.4Å; V111-L140 WeakPolarHBondContact CG2-O 3.25Å; I112-L140 HydrophobicContact CD1-CD2 3.92Å; I112-L140 HydrophobicContact CG1-CD2 3.88Å; I131-L140 HydrophobicContact CB-CD2 4.37Å; I131-L140 HydrophobicContact CD1-CD2 4.12Å; I131-L140 HydrophobicContact CG2-CD2 3.96Å; I131-L140 HydrophobicContact CG2-CG 4.21Å; L132-L140 HydrophobicContact CD2-CD1 3.83Å; L132-L140 HydrophobicContact CD2-CG 4.31Å; L132-L140 HydrophobicContact CG-CD1 4.48Å; P137-L140 WeakPolarHBondContact O-CB 3.34Å; P137-L140 PolarHBondContact O-N 2.92Å; A138-L140 VanDerWaalsContact C-N 3.27Å; A138-L140 PolarHBondContact O-N 2.87Å
141Y90.1Very high88.1Confident93 Ų9339.4 Ų39.437%0.36525%0.247SC..G310 helixtrans-97.110.4177.1-68.5-88.1000112.8L104 P108 A138 G139 G143 F144L104-Y141 WeakPolarHBondContact O-CE1 3.44Å; L104-Y141 PolarHBondContact O-OH 3.2Å; P108-Y141 HydrophobicContact CG-CD1 4.25Å; P108-Y141 HydrophobicContact CG-CD2 4.49Å; P108-Y141 HydrophobicContact CG-CE1 3.76Å; P108-Y141 HydrophobicContact CG-CE2 4.04Å; A138-Y141 PolarHBondContact O-N 3.32Å; A138-Y141 VanDerWaalsContact O-N 3.16Å; G139-Y141 VanDerWaalsContact C-N 3.29Å; Y141-G143 PolarHBondContact O-N 3.38Å; Y141-F144 HydrophobicContact CD1-CD2 4.24Å; Y141-F144 WeakPolarHBondContact O-CB 3.32Å; Y141-F144 PolarHBondContact O-N 3.49Å
142R85.1Confident87.8Confident5 Ų543.2 Ų43.22%0.01927%0.266CS..THydrogen-bonded Turntrans-60.7121.2174.2-178.9179-97.8136.7-4109.2V111 A138 G139 V207 M208 S210 N211 K212 I213V111-R142 WeakPolarHBondContact CG2-O 3.4Å; A138-R142 PolarHBondContact O-N 3.38Å; G139-R142 VanDerWaalsContact O-CB 3.25Å; G139-R142 WeakPolarHBondContact O-CB 3.29Å; G139-R142 PolarHBondContact O-N 2.86Å; R142-V207 WeakPolarHBondContact CD-O 3.48Å; R142-V207 HydrophobicContact CG-CG1 4.18Å; R142-V207 WeakPolarHBondContact CG-O 3.32Å; R142-M208 WeakPolarHBondContact O-CG 3.47Å; R142-S210 WeakPolarHBondContact CD-O 3.34Å; R142-S210 PolarHBondContact NE-O 3.32Å; R142-S210 PolarHBondContact NH1-O 2.89Å; R142-S210 VanDerWaalsContact NH1-O 3.13Å; R142-N211 PolarHBondContact NH2-O 2.87Å; R142-K212 PolarHBondContact NH2-O 2.92Å; R142-I213 VanDerWaalsContact NH2-N 3.17Å
143G85.8Confident87.8Confident8 Ų841.4 Ų41.48%0.08226%0.259CS..THydrogen-bonded Turntrans89.711.2-176.800000114.7Y141 A146 T147Y141-G143 PolarHBondContact O-N 3.38Å; G143-A146 PolarHBondContact O-N 3.19Å; G143-T147 WeakPolarHBondContact O-CB 3.37Å; G143-T147 PolarHBondContact O-N 3.09Å; G143-T147 PolarHBondContact O-OG1 3.24Å
144F89Confident87.8Confident34 Ų3437.8 Ų37.815%0.14923%0.226CC..Hα-helixtrans-55-53.8172.6-174.6-88.4000111.9F100 C103 L104 V107 Y141 A146 T147 V148F100-F144 HydrophobicContact CD2-CE1 4.29Å; F100-F144 HydrophobicContact CD2-CZ 4.24Å; F100-F144 HydrophobicContact CE1-CZ 4.34Å; F100-F144 AromaticContact CE2-CE1 3.62Å; F100-F144 HydrophobicContact CE2-CE1 3.62Å; F100-F144 AromaticContact CE2-CZ 3.86Å; F100-F144 HydrophobicContact CE2-CZ 3.86Å; F100-F144 AromaticContact CZ-CE1 3.87Å; F100-F144 HydrophobicContact CZ-CE1 3.87Å; F100-F144 AromaticContact CZ-CZ 3.9Å; F100-F144 HydrophobicContact CZ-CZ 3.9Å; C103-F144 HydrophobicContact CB-CD2 4.17Å; C103-F144 HydrophobicContact CB-CE2 3.45Å; C103-F144 VanDerWaalsContact CB-CE2 3.45Å; C103-F144 HydrophobicContact CB-CZ 3.93Å; L104-F144 HydrophobicContact CD2-CE2 3.94Å; L104-F144 HydrophobicContact CD2-CZ 4.23Å; V107-F144 HydrophobicContact CB-CD2 4.19Å; V107-F144 HydrophobicContact CG1-CB 4.29Å; V107-F144 HydrophobicContact CG1-CD2 4.45Å; V107-F144 HydrophobicContact CG2-CD2 3.79Å; V107-F144 HydrophobicContact CG2-CE2 4.46Å; Y141-F144 HydrophobicContact CD1-CD2 4.24Å; Y141-F144 WeakPolarHBondContact O-CB 3.32Å; Y141-F144 PolarHBondContact O-N 3.49Å; F144-A146 VanDerWaalsContact C-N 3.28Å; F144-A146 PolarHBondContact O-N 3.44Å; F144-T147 WeakPolarHBondContact O-CB 3.44Å; F144-T147 PolarHBondContact O-N 3.38Å; F144-T147 VanDerWaalsContact O-N 3.09Å; F144-V148 HydrophobicContact CD1-CG2 4.23Å; F144-V148 HydrophobicContact CE1-CG2 3.85Å; F144-V148 HydrophobicContact CZ-CG2 4.19Å; F144-V148 PolarHBondContact O-N 3.3Å
145V87.2Confident87.5Confident112 Ų11236 Ų3668%0.67921%0.214SC*.Hα-helixtrans-59-41.3176.5177.40000111.3T147 V148 S149V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.85Å; V145-V148 PolarHBondContact O-N 3.1Å; V145-S149 VanDerWaalsContact O-CB 3.25Å; V145-S149 WeakPolarHBondContact O-CB 3.32Å; V145-S149 PolarHBondContact O-N 3.44Å; V145-S149 PolarHBondContact O-OG 3.29Å
146A88.3Confident87.5Confident3 Ų338.3 Ų38.33%0.02523%0.229CC..Hα-helixtrans-63.5-38.3177.700000112.2G143 F144 S149 R150 K204 V220G143-A146 PolarHBondContact O-N 3.19Å; F144-A146 VanDerWaalsContact C-N 3.28Å; F144-A146 PolarHBondContact O-N 3.44Å; A146-S149 WeakPolarHBondContact CA-OG 3.27Å; A146-S149 PolarHBondContact O-OG 2.94Å; A146-R150 WeakPolarHBondContact O-CB 3.48Å; A146-R150 PolarHBondContact O-N 3.33Å; A146-K204 HydrophobicContact CB-CB 3.88Å; A146-K204 HydrophobicContact CB-CG 4.19Å; A146-V220 HydrophobicContact CB-CG2 3.56Å
147T88.7Confident87.6Confident0 Ų039.7 Ų39.70%023%0.231CC..Hα-helixtrans-63.6-56.1175.8-56.80000110.2R106 V107 G143 F144 V145 S149 R150 E151 K204 M208R106-T147 VanDerWaalsContact NH1-CG2 3.34Å; V107-T147 HydrophobicContact CG2-CG2 4.1Å; G143-T147 WeakPolarHBondContact O-CB 3.37Å; G143-T147 PolarHBondContact O-N 3.09Å; G143-T147 PolarHBondContact O-OG1 3.24Å; F144-T147 WeakPolarHBondContact O-CB 3.44Å; F144-T147 PolarHBondContact O-N 3.38Å; F144-T147 VanDerWaalsContact O-N 3.09Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.85Å; T147-S149 VanDerWaalsContact C-N 3.29Å; T147-S149 PolarHBondContact O-N 2.95Å; T147-R150 WeakPolarHBondContact O-CA 3.4Å; T147-R150 WeakPolarHBondContact O-CB 3.17Å; T147-R150 PolarHBondContact O-N 3.31Å; T147-E151 HydrophobicContact CG2-CG 4.16Å; T147-E151 WeakPolarHBondContact O-CG 3.46Å; T147-E151 PolarHBondContact O-N 3.25Å; T147-K204 WeakPolarHBondContact OG1-CE 3.49Å; T147-M208 WeakPolarHBondContact OG1-CE 3.29Å
148V87.6Confident87.6Confident28 Ų2837.4 Ų37.417%0.1721%0.212CC..Hα-helixtrans-57.1-43.6178.8175.60000111.4F100 F144 V145 R150 E151 I152F100-V148 HydrophobicContact CD2-CG2 4.2Å; F144-V148 HydrophobicContact CD1-CG2 4.23Å; F144-V148 HydrophobicContact CE1-CG2 3.85Å; F144-V148 HydrophobicContact CZ-CG2 4.19Å; F144-V148 PolarHBondContact O-N 3.3Å; V145-V148 PolarHBondContact O-N 3.1Å; V148-R150 PolarHBondContact O-N 3.12Å; V148-R150 VanDerWaalsContact O-N 3.15Å; V148-E151 PolarHBondContact O-N 2.9Å; V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.29Å; V148-I152 PolarHBondContact O-N 2.98Å; V148-I152 VanDerWaalsContact O-N 3.12Å
149S87.8Confident87.4Confident37 Ų3739.8 Ų39.826%0.25921%0.214SC..Hα-helixtrans-61.7-22.5178.175.50000113.7V145 A146 T147 P153V145-S149 VanDerWaalsContact O-CB 3.25Å; V145-S149 WeakPolarHBondContact O-CB 3.32Å; V145-S149 PolarHBondContact O-N 3.44Å; V145-S149 PolarHBondContact O-OG 3.29Å; A146-S149 WeakPolarHBondContact CA-OG 3.27Å; A146-S149 PolarHBondContact O-OG 2.94Å; T147-S149 VanDerWaalsContact C-N 3.29Å; T147-S149 PolarHBondContact O-N 2.95Å; S149-P153 WeakPolarHBondContact O-CD 3.25Å; S149-P153 WeakPolarHBondContact O-CG 3.42Å
150R89.9Confident87.4Confident35 Ų3543.3 Ų43.313%0.13224%0.236CC..Hα-helixtrans-90.8-42.9176-176.4-136.276.8134.28.5111.6A146 T147 V148 F154 L200 D201A146-R150 WeakPolarHBondContact O-CB 3.48Å; A146-R150 PolarHBondContact O-N 3.33Å; T147-R150 WeakPolarHBondContact O-CA 3.4Å; T147-R150 WeakPolarHBondContact O-CB 3.17Å; T147-R150 PolarHBondContact O-N 3.31Å; V148-R150 PolarHBondContact O-N 3.12Å; V148-R150 VanDerWaalsContact O-N 3.15Å; R150-F154 VanDerWaalsContact O-CB 3.24Å; R150-F154 WeakPolarHBondContact O-CB 3.47Å; R150-F154 PolarHBondContact O-N 3.25Å; R150-F154 VanDerWaalsContact O-N 3.14Å; R150-L200 HydrophobicContact CB-CB 4.1Å; R150-L200 HydrophobicContact CG-CB 4.13Å; R150-D201 VanDerWaalsContact CD-OD1 3.28Å; R150-D201 WeakPolarHBondContact CD-OD1 3.35Å; R150-D201 HydrophobicContact CG-CB 4.28Å; R150-D201 IonicContact NH1-OD1 2.72Å; R150-D201 PolarHBondContact NH1-OD1 3.46Å
151E86.3Confident87.4Confident13 Ų1344.2 Ų44.26%0.06124%0.241CC..Hα-helixtrans-59.7-46-179.4-62.7-52.5151.700112.1E99 R106 T147 V148 F154 S155E99-E151 HydrophobicContact CG-CB 3.89Å; E99-E151 HydrophobicContact CG-CG 3.97Å; R106-E151 IonicContact CZ-OE1 3.09Å; R106-E151 VanDerWaalsContact CZ-OE1 3.3Å; R106-E151 IonicContact NH1-OE1 3.88Å; R106-E151 PolarHBondContact NH1-OE1 2.87Å; R106-E151 VanDerWaalsContact NH2-CG 3.27Å; R106-E151 IonicContact NH2-OE1 3.76Å; R106-E151 PolarHBondContact NH2-OE1 3.44Å; T147-E151 HydrophobicContact CG2-CG 4.16Å; T147-E151 WeakPolarHBondContact O-CG 3.46Å; T147-E151 PolarHBondContact O-N 3.25Å; V148-E151 PolarHBondContact O-N 2.9Å; E151-F154 PolarHBondContact O-N 3.43Å; E151-S155 PolarHBondContact O-N 3.09Å; E151-S155 PolarHBondContact O-OG 3.3Å
152I84.2Confident87.3Confident79 Ų7942 Ų4241%0.40523%0.232SC..Hα-helixtrans-63.3-54.5-174.6-65.5169.9000111.2V148 F154 S155 C156V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.29Å; V148-I152 PolarHBondContact O-N 2.98Å; V148-I152 VanDerWaalsContact O-N 3.12Å; I152-F154 VanDerWaalsContact C-N 3.28Å; I152-F154 PolarHBondContact O-N 2.8Å; I152-S155 PolarHBondContact O-N 3.28Å; I152-C156 WeakPolarHBondContact O-CB 3.23Å; I152-C156 PolarHBondContact O-N 3.01Å; I152-C156 PolarHBondContact O-SG 2.99Å
153P90Very high87.3Confident44 Ų4446.8 Ų46.829%0.28625%0.254SS..Hα-helixtrans-60.7-36.3175.8-2637.1000113.3S149 C156 I157 T197 L200S149-P153 WeakPolarHBondContact O-CD 3.25Å; S149-P153 WeakPolarHBondContact O-CG 3.42Å; P153-C156 PolarHBondContact O-N 3.43Å; P153-I157 WeakPolarHBondContact O-CD1 3.25Å; P153-I157 VanDerWaalsContact O-CG1 3.26Å; P153-I157 WeakPolarHBondContact O-CG1 3.32Å; P153-I157 PolarHBondContact O-N 3.24Å; P153-I157 VanDerWaalsContact O-N 3.1Å; P153-T197 HydrophobicContact CB-CG2 4.1Å; P153-L200 HydrophobicContact CB-CD1 4.27Å; P153-L200 HydrophobicContact CG-CD1 3.98Å
154F90.2Very high87.4Confident17 Ų1750.1 Ų50.18%0.07528%0.277CS..Hα-helixtrans-60.6-49.2177.5178.9-96.3000111R150 E151 I152 I157 Q158 A193 T197 L247R150-F154 VanDerWaalsContact O-CB 3.24Å; R150-F154 WeakPolarHBondContact O-CB 3.47Å; R150-F154 PolarHBondContact O-N 3.25Å; R150-F154 VanDerWaalsContact O-N 3.14Å; E151-F154 PolarHBondContact O-N 3.43Å; I152-F154 VanDerWaalsContact C-N 3.28Å; I152-F154 PolarHBondContact O-N 2.8Å; F154-I157 PolarHBondContact O-N 2.98Å; F154-Q158 VanDerWaalsContact O-CB 3.25Å; F154-Q158 WeakPolarHBondContact O-CB 3.27Å; F154-Q158 PolarHBondContact O-N 3.26Å; F154-A193 HydrophobicContact CD2-CB 3.8Å; F154-A193 HydrophobicContact CE2-CB 3.83Å; F154-T197 HydrophobicContact CB-CG2 4.24Å; F154-L247 HydrophobicContact CE2-CD1 4.18Å; F154-L247 HydrophobicContact CZ-CD2 4.19Å
155S83.4Confident87.5Confident33 Ų3350.8 Ų50.823%0.23128%0.281CS..Hα-helixtrans-64-43.1176.9-67.40000112.7E151 I152 I157 Q158 F159E151-S155 PolarHBondContact O-N 3.09Å; E151-S155 PolarHBondContact O-OG 3.3Å; I152-S155 PolarHBondContact O-N 3.28Å; S155-I157 PolarHBondContact O-N 3.33Å; S155-Q158 PolarHBondContact O-N 3Å; S155-F159 VanDerWaalsContact O-CD2 3.32Å; S155-F159 WeakPolarHBondContact O-CD2 3.18Å; S155-F159 PolarHBondContact O-N 3.47Å; S155-F159 VanDerWaalsContact O-N 3.09Å
156C84.5Confident87.5Confident71 Ų7147.2 Ų47.248%0.4826%0.257SS..Hα-helixtrans-62.4-25.2177.9-70.70000113.5I152 P153 P160I152-C156 WeakPolarHBondContact O-CB 3.23Å; I152-C156 PolarHBondContact O-N 3.01Å; I152-C156 PolarHBondContact O-SG 2.99Å; P153-C156 PolarHBondContact O-N 3.43Å; C156-P160 WeakPolarHBondContact O-CD 3.31Å; C156-P160 VanDerWaalsContact O-CG 3.23Å; C156-P160 WeakPolarHBondContact O-CG 3.36Å
157I90.1Very high87.2Confident52 Ų5248.6 Ų48.627%0.26727%0.271SS..Hα-helixtrans-90.2-47.8174.8-62.6164.1000110.2P153 F154 S155 L161 A193 L196 T197P153-I157 WeakPolarHBondContact O-CD1 3.25Å; P153-I157 VanDerWaalsContact O-CG1 3.26Å; P153-I157 WeakPolarHBondContact O-CG1 3.32Å; P153-I157 PolarHBondContact O-N 3.24Å; P153-I157 VanDerWaalsContact O-N 3.1Å; F154-I157 PolarHBondContact O-N 2.98Å; S155-I157 PolarHBondContact O-N 3.33Å; I157-L161 WeakPolarHBondContact O-CB 3.41Å; I157-L161 PolarHBondContact O-N 2.97Å; I157-A193 HydrophobicContact CB-CB 3.92Å; I157-A193 HydrophobicContact CG2-CB 3.72Å; I157-L196 HydrophobicContact CD1-CB 4.25Å; I157-L196 HydrophobicContact CD1-CD1 4.28Å; I157-L196 HydrophobicContact CG2-CD1 4.29Å; I157-T197 HydrophobicContact CD1-CG2 4.13Å
158Q89.4Confident87.3Confident43 Ų4354.3 Ų54.320%0.20130%0.298CS..Hα-helixtrans-62.6-50.4-172.1-176.4-173.411.100112.2F154 S155 L161 W162 A189 A193F154-Q158 VanDerWaalsContact O-CB 3.25Å; F154-Q158 WeakPolarHBondContact O-CB 3.27Å; F154-Q158 PolarHBondContact O-N 3.26Å; S155-Q158 PolarHBondContact O-N 3Å; Q158-L161 PolarHBondContact O-N 3.48Å; Q158-W162 WeakPolarHBondContact O-CB 3.15Å; Q158-W162 PolarHBondContact O-N 2.96Å; Q158-A189 HydrophobicContact CG-CB 4.37Å; Q158-A193 HydrophobicContact CB-CB 3.94Å
159F82.9Confident87.4Confident97 Ų9757 Ų5743%0.42531%0.305SS..Hα-helixtrans-66.9-49.9-173.2-71.6-68000112.7S155 L161 W162 E163S155-F159 VanDerWaalsContact O-CD2 3.32Å; S155-F159 WeakPolarHBondContact O-CD2 3.18Å; S155-F159 PolarHBondContact O-N 3.47Å; S155-F159 VanDerWaalsContact O-N 3.09Å; F159-L161 VanDerWaalsContact C-N 3.31Å; F159-L161 PolarHBondContact O-N 2.81Å; F159-W162 AromaticContact CD1-CE3 3.92Å; F159-W162 HydrophobicContact CD1-CE3 3.92Å; F159-W162 HydrophobicContact CD1-CZ3 4.2Å; F159-W162 HydrophobicContact CE1-CE3 4.24Å; F159-W162 HydrophobicContact CE1-CZ3 4.12Å; F159-W162 PolarHBondContact O-N 3.47Å; F159-E163 WeakPolarHBondContact O-CG 3.35Å; F159-E163 PolarHBondContact O-N 2.91Å
160P85.7Confident87.3Confident78 Ų7857.3 Ų57.351%0.50631%0.307SS..Hα-helixtrans-61.7-39.3176.9-25.938.1000112.7C156 E163 S164C156-P160 WeakPolarHBondContact O-CD 3.31Å; C156-P160 VanDerWaalsContact O-CG 3.23Å; C156-P160 WeakPolarHBondContact O-CG 3.36Å; P160-E163 PolarHBondContact O-N 3.48Å; P160-S164 VanDerWaalsContact O-CB 3.27Å; P160-S164 WeakPolarHBondContact O-CB 3.32Å; P160-S164 PolarHBondContact O-N 3.45Å
161L89Confident87.2Confident46 Ų4662.5 Ų62.524%0.24133%0.333CS..Hα-helixtrans-66.3-40.9177.3-176.556.7000111.5I157 Q158 F159 S164 L165 A189 I192I157-L161 WeakPolarHBondContact O-CB 3.41Å; I157-L161 PolarHBondContact O-N 2.97Å; Q158-L161 PolarHBondContact O-N 3.48Å; F159-L161 VanDerWaalsContact C-N 3.31Å; F159-L161 PolarHBondContact O-N 2.81Å; L161-S164 PolarHBondContact O-N 2.89Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.21Å; L161-L165 HydrophobicContact CG-CD1 4.14Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 VanDerWaalsContact O-CG 3.25Å; L161-L165 WeakPolarHBondContact O-CG 3.19Å; L161-L165 PolarHBondContact O-N 2.95Å; L161-A189 HydrophobicContact CB-CB 4.02Å; L161-A189 HydrophobicContact CD2-CB 4.11Å; L161-A189 HydrophobicContact CG-CB 3.85Å; L161-I192 HydrophobicContact CD2-CB 3.77Å; L161-I192 HydrophobicContact CD2-CD1 3.85Å; L161-I192 HydrophobicContact CD2-CG1 4.41Å; L161-I192 HydrophobicContact CD2-CG2 3.73Å
162W88.3Confident87.3Confident46 Ų4666.9 Ų66.917%0.17436%0.36CS..Hα-helixtrans-61-48.1174.8179.925.1000111.5Q158 F159 L165 K166 S182 G186 A189Q158-W162 WeakPolarHBondContact O-CB 3.15Å; Q158-W162 PolarHBondContact O-N 2.96Å; F159-W162 AromaticContact CD1-CE3 3.92Å; F159-W162 HydrophobicContact CD1-CE3 3.92Å; F159-W162 HydrophobicContact CD1-CZ3 4.2Å; F159-W162 HydrophobicContact CE1-CE3 4.24Å; F159-W162 HydrophobicContact CE1-CZ3 4.12Å; F159-W162 PolarHBondContact O-N 3.47Å; W162-L165 PolarHBondContact O-N 2.78Å; W162-K166 WeakPolarHBondContact O-CB 3.2Å; W162-K166 WeakPolarHBondContact O-CG 3.38Å; W162-K166 PolarHBondContact O-N 3.07Å; W162-S182 PolarHBondContact NE1-O 2.95Å; W162-G186 VanDerWaalsContact CD1-N 3.29Å; W162-A189 HydrophobicContact CB-CB 3.89Å
163E85.1Confident87.5Confident106 Ų10665.5 Ų65.550%0.49535%0.352SS..Hα-helixtrans-62.9-41176.1-67.9-54.9146.700112.3F159 P160 K166 G167F159-E163 WeakPolarHBondContact O-CG 3.35Å; F159-E163 PolarHBondContact O-N 2.91Å; P160-E163 PolarHBondContact O-N 3.48Å; E163-K166 VanDerWaalsContact CD-CE 3.4Å; E163-K166 PolarHBondContact O-N 2.67Å; E163-K166 WeakPolarHBondContact OE1-CE 3.19Å; E163-K166 IonicContact OE1-NZ 3.45Å; E163-K166 PolarHBondContact OE1-NZ 3.04Å; E163-K166 WeakPolarHBondContact OE2-CE 3.39Å; E163-K166 IonicContact OE2-NZ 3.81Å; E163-K166 PolarHBondContact OE2-NZ 3.38Å; E163-G167 PolarHBondContact O-N 3.37Å
164S87.6Confident87.1Confident79 Ų7972.4 Ų72.455%0.55238%0.378SS*.Hα-helixtrans-63.9-45.5177.3-173.20000112.1P160 L161 K166 G167 H168P160-S164 VanDerWaalsContact O-CB 3.27Å; P160-S164 WeakPolarHBondContact O-CB 3.32Å; P160-S164 PolarHBondContact O-N 3.45Å; L161-S164 PolarHBondContact O-N 2.89Å; S164-K166 VanDerWaalsContact C-N 3.35Å; S164-G167 PolarHBondContact O-N 2.82Å; S164-H168 WeakPolarHBondContact O-CB 3.44Å; S164-H168 PolarHBondContact O-N 2.88Å
165L90.8Very high86.5Confident47 Ų4778.6 Ų78.625%0.24640%0.404CS..Hα-helixtrans-63.1-42176.5-73.1172000111.2L161 W162 W169 C185 L188 A189L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.21Å; L161-L165 HydrophobicContact CG-CD1 4.14Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 VanDerWaalsContact O-CG 3.25Å; L161-L165 WeakPolarHBondContact O-CG 3.19Å; L161-L165 PolarHBondContact O-N 2.95Å; W162-L165 PolarHBondContact O-N 2.78Å; L165-W169 WeakPolarHBondContact O-CB 3.49Å; L165-W169 PolarHBondContact O-N 3.16Å; L165-C185 HydrophobicContact CB-CB 3.81Å; L165-L188 HydrophobicContact CD1-CB 4.28Å; L165-L188 HydrophobicContact CD1-CD2 4.08Å; L165-L188 HydrophobicContact CD1-CG 4.22Å; L165-L188 HydrophobicContact CD2-CD2 4.47Å; L165-A189 HydrophobicContact CD1-CB 4.24Å
166K87.3Confident86.3Confident37 Ų3782.3 Ų82.316%0.16143%0.428CS..Hα-helixtrans-62.1-47.1174.2-76.3-172-59-178.10111.7W162 E163 S164 H168 W169 S170 L177 S182 C185W162-K166 WeakPolarHBondContact O-CB 3.2Å; W162-K166 WeakPolarHBondContact O-CG 3.38Å; W162-K166 PolarHBondContact O-N 3.07Å; E163-K166 VanDerWaalsContact CD-CE 3.4Å; E163-K166 PolarHBondContact O-N 2.67Å; E163-K166 WeakPolarHBondContact OE1-CE 3.19Å; E163-K166 IonicContact OE1-NZ 3.45Å; E163-K166 PolarHBondContact OE1-NZ 3.04Å; E163-K166 WeakPolarHBondContact OE2-CE 3.39Å; E163-K166 IonicContact OE2-NZ 3.81Å; E163-K166 PolarHBondContact OE2-NZ 3.38Å; S164-K166 VanDerWaalsContact C-N 3.35Å; K166-H168 PolarHBondContact O-N 3.42Å; K166-W169 PolarHBondContact O-N 3.21Å; K166-S170 WeakPolarHBondContact O-CB 3.42Å; K166-S170 PolarHBondContact O-N 3.08Å; K166-L177 VanDerWaalsContact CA-CD1 3.44Å; K166-L177 HydrophobicContact CB-CD1 3.55Å; K166-L177 HydrophobicContact CD-CD1 4.45Å; K166-L177 HydrophobicContact CG-CD1 3.72Å; K166-L177 WeakPolarHBondContact O-CD1 3.37Å; K166-S182 WeakPolarHBondContact CD-OG 3.48Å; K166-C185 HydrophobicContact CG-CB 3.99Å
167G83.4Confident86Confident32 Ų3280.7 Ų80.733%0.3341%0.414SS..Hα-helixtrans-57.1-49.8178.200000111.5E163 S164 S170 Q171E163-G167 PolarHBondContact O-N 3.37Å; S164-G167 PolarHBondContact O-N 2.82Å; G167-S170 PolarHBondContact O-N 3.44Å; G167-Q171 WeakPolarHBondContact O-CB 3.24Å; G167-Q171 VanDerWaalsContact O-CG 3.26Å; G167-Q171 WeakPolarHBondContact O-CG 3.36Å; G167-Q171 PolarHBondContact O-N 3.1Å
168H89.7Confident85.4Confident120 Ų12084.8 Ų84.856%0.55643%0.43SS*.Hα-helixtrans-63.7-47.8-180-168.775.1000112.4S164 K166 S170 Q171 V172S164-H168 WeakPolarHBondContact O-CB 3.44Å; S164-H168 PolarHBondContact O-N 2.88Å; K166-H168 PolarHBondContact O-N 3.42Å; H168-S170 PolarHBondContact O-N 3.34Å; H168-Q171 PolarHBondContact O-N 2.8Å; H168-V172 WeakPolarHBondContact O-CG2 3.43Å; H168-V172 PolarHBondContact O-N 3.18Å
169W89.7Confident84.6Confident86 Ų8684.8 Ų84.833%0.32644%0.435SS..Hα-helixtrans-63.1-45.5178.8-164.2-25.9000111.1L165 K166 Q171 V172 Q173 L177 W180 Q181 T184 C185L165-W169 WeakPolarHBondContact O-CB 3.49Å; L165-W169 PolarHBondContact O-N 3.16Å; K166-W169 PolarHBondContact O-N 3.21Å; W169-Q171 VanDerWaalsContact C-N 3.28Å; W169-Q171 PolarHBondContact O-N 3.45Å; W169-V172 PolarHBondContact O-N 3.16Å; W169-Q173 VanDerWaalsContact O-CG 3.31Å; W169-Q173 WeakPolarHBondContact O-CG 3.47Å; W169-Q173 PolarHBondContact O-N 3.33Å; W169-L177 HydrophobicContact CB-CD2 3.76Å; W169-L177 HydrophobicContact CD2-CD2 4.13Å; W169-L177 HydrophobicContact CG-CD2 3.59Å; W169-W180 HydrophobicContact CH2-CH2 4.47Å; W169-W180 HydrophobicContact CH2-CZ3 4.27Å; W169-W180 HydrophobicContact CZ2-CH2 4.31Å; W169-Q181 HydrophobicContact CH2-CB 4.49Å; W169-Q181 HydrophobicContact CH2-CG 4.43Å; W169-Q181 HydrophobicContact CZ2-CB 4.41Å; W169-Q181 HydrophobicContact CZ2-CG 4.05Å; W169-Q181 VanDerWaalsContact NE1-NE2 3.19Å; W169-T184 HydrophobicContact CH2-CG2 4.42Å; W169-T184 HydrophobicContact CZ3-CG2 4.1Å; W169-C185 VanDerWaalsContact CE3-SG 3.59Å
170S86.1Confident84.4Confident42 Ų4286.3 Ų86.329%0.29444%0.438SS..Hα-helixtrans-56.4-41.9176.5-173.90000112.2K166 G167 H168 K174 K175K166-S170 WeakPolarHBondContact O-CB 3.42Å; K166-S170 PolarHBondContact O-N 3.08Å; G167-S170 PolarHBondContact O-N 3.44Å; H168-S170 PolarHBondContact O-N 3.34Å; S170-K174 WeakPolarHBondContact O-CA 3.4Å; S170-K174 PolarHBondContact O-N 3.17Å; S170-K175 PolarHBondContact OG-O 3.24Å
171Q86.8Confident84.5Confident144 Ų14483.2 Ų83.267%0.67342%0.417SS*.Hα-helixtrans-65.4-47.8176.5-75.9176-5.100112.3G167 H168 W169 Q173 K174G167-Q171 WeakPolarHBondContact O-CB 3.24Å; G167-Q171 VanDerWaalsContact O-CG 3.26Å; G167-Q171 WeakPolarHBondContact O-CG 3.36Å; G167-Q171 PolarHBondContact O-N 3.1Å; H168-Q171 PolarHBondContact O-N 2.8Å; W169-Q171 VanDerWaalsContact C-N 3.28Å; W169-Q171 PolarHBondContact O-N 3.45Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q173 PolarHBondContact O-N 3.27Å; Q171-K174 PolarHBondContact O-N 2.88Å
172V89.7Confident84.2Confident105 Ų10581.6 Ų81.664%0.63641%0.409SS*.Hα-helixtrans-61.4-42.6-179.7171.60000111.3H168 W169H168-V172 WeakPolarHBondContact O-CG2 3.43Å; H168-V172 PolarHBondContact O-N 3.18Å; W169-V172 PolarHBondContact O-N 3.16Å
173Q87.9Confident83.9Confident50 Ų5080 Ų8023%0.23441%0.406CS..Hα-helixtrans-84.7-9.9-178.976.3179.9-4.200114.4W169 Q171 K175 P176W169-Q173 VanDerWaalsContact O-CG 3.31Å; W169-Q173 WeakPolarHBondContact O-CG 3.47Å; W169-Q173 PolarHBondContact O-N 3.33Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q173 PolarHBondContact O-N 3.27Å; Q173-K175 HydrophobicContact CG-CB 4.07Å; Q173-K175 WeakPolarHBondContact CG-O 3.18Å; Q173-K175 PolarHBondContact NE2-O 3.08Å; Q173-K175 PolarHBondContact O-N 3.49Å; Q173-K175 VanDerWaalsContact O-N 3.1Å; Q173-P176 PolarHBondContact NE2-O 2.95Å
174K80.9Confident84.1Confident190 Ų19076.5 Ų76.583%0.82639%0.391SS*.THydrogen-bonded Turntrans51.628.6-175.3-57-178.4-179.2178.50114.5S170 Q171S170-K174 WeakPolarHBondContact O-CA 3.4Å; S170-K174 PolarHBondContact O-N 3.17Å; Q171-K174 PolarHBondContact O-N 2.88Å
175K78.2Confident84.2Confident146 Ų14672.9 Ų72.964%0.63537%0.366SS*.SBendtrans-139.8149.6-177.6-70.4178.6-177.5175.60109.4S170 Q173 L177S170-K175 PolarHBondContact OG-O 3.24Å; Q173-K175 HydrophobicContact CG-CB 4.07Å; Q173-K175 WeakPolarHBondContact CG-O 3.18Å; Q173-K175 PolarHBondContact NE2-O 3.08Å; Q173-K175 PolarHBondContact O-N 3.49Å; Q173-K175 VanDerWaalsContact O-N 3.1Å; K175-L177 PolarHBondContact O-N 3.27Å
176P78.8Confident84Confident112 Ų11271.2 Ų71.273%0.72736%0.361SS*.PPolyproline II helixtrans-58.3139.1171.326.4-34000109.9Q173 K178Q173-P176 PolarHBondContact NE2-O 2.95Å; P176-K178 PolarHBondContact O-N 3.36Å
177L77.8Confident84.1Confident37 Ų3769.9 Ų69.919%0.19436%0.356CS..PPolyproline II helixtrans-63.8135.8179.3-71.1168000111.1K166 W169 K175 Q181K166-L177 VanDerWaalsContact CA-CD1 3.44Å; K166-L177 HydrophobicContact CB-CD1 3.55Å; K166-L177 HydrophobicContact CD-CD1 4.45Å; K166-L177 HydrophobicContact CG-CD1 3.72Å; K166-L177 WeakPolarHBondContact O-CD1 3.37Å; W169-L177 HydrophobicContact CB-CD2 3.76Å; W169-L177 HydrophobicContact CD2-CD2 4.13Å; W169-L177 HydrophobicContact CG-CD2 3.59Å; K175-L177 PolarHBondContact O-N 3.27Å; L177-Q181 HydrophobicContact CB-CB 4.33Å; L177-Q181 HydrophobicContact CD2-CB 3.71Å; L177-Q181 HydrophobicContact CD2-CG 4.41Å
178K78.3Confident84.6Confident137 Ų13772.5 Ų72.560%0.59636%0.362SS*.PPolyproline II helixtrans-69.6154.1166.1-62.4-179.9178.1-179.20109.3P176 W180 Q181 S182P176-K178 PolarHBondContact O-N 3.36Å; K178-W180 VanDerWaalsContact C-N 3.27Å; K178-W180 PolarHBondContact O-N 2.92Å; K178-Q181 HydrophobicContact CB-CG 4.27Å; K178-Q181 WeakPolarHBondContact O-CB 3.43Å; K178-Q181 PolarHBondContact O-N 2.93Å; K178-S182 PolarHBondContact O-N 3Å; K178-S182 VanDerWaalsContact O-N 3.16Å
179S72.1Confident84.7Confident43 Ų4366.8 Ų66.830%0.30134%0.335SS..Hα-helixtrans-54.1-41.4-176.8-48.30000113.2Q181 S182 A183S179-Q181 VanDerWaalsContact C-N 3.32Å; S179-Q181 PolarHBondContact O-N 2.97Å; S179-S182 WeakPolarHBondContact O-CB 3.49Å; S179-S182 PolarHBondContact O-N 2.9Å; S179-A183 PolarHBondContact O-N 3.41Å
180W80.2Confident84.8Confident130 Ų13062.8 Ų62.849%0.49232%0.321SS..Hα-helixtrans-67-30.217874.8-96.2000113.4W169 K178 T184 L255W169-W180 HydrophobicContact CH2-CH2 4.47Å; W169-W180 HydrophobicContact CH2-CZ3 4.27Å; W169-W180 HydrophobicContact CZ2-CH2 4.31Å; K178-W180 VanDerWaalsContact C-N 3.27Å; K178-W180 PolarHBondContact O-N 2.92Å; W180-T184 WeakPolarHBondContact O-CB 3.48Å; W180-T184 PolarHBondContact O-N 3.2Å; W180-T184 PolarHBondContact O-OG1 3.33Å; W180-L255 HydrophobicContact CB-CD2 4.03Å
181Q86.6Confident85.2Confident13 Ų1361.1 Ų61.16%0.06131%0.31CS..Hα-helixtrans-71.5-42.8176.2-60.9175.5-60.900110.3W169 L177 K178 S179 A183 T184 C185W169-Q181 HydrophobicContact CH2-CB 4.49Å; W169-Q181 HydrophobicContact CH2-CG 4.43Å; W169-Q181 HydrophobicContact CZ2-CB 4.41Å; W169-Q181 HydrophobicContact CZ2-CG 4.05Å; W169-Q181 VanDerWaalsContact NE1-NE2 3.19Å; L177-Q181 HydrophobicContact CB-CB 4.33Å; L177-Q181 HydrophobicContact CD2-CB 3.71Å; L177-Q181 HydrophobicContact CD2-CG 4.41Å; K178-Q181 HydrophobicContact CB-CG 4.27Å; K178-Q181 WeakPolarHBondContact O-CB 3.43Å; K178-Q181 PolarHBondContact O-N 2.93Å; S179-Q181 VanDerWaalsContact C-N 3.32Å; S179-Q181 PolarHBondContact O-N 2.97Å; Q181-A183 VanDerWaalsContact C-N 3.34Å; Q181-A183 PolarHBondContact O-N 3.49Å; Q181-T184 WeakPolarHBondContact O-CB 3.32Å; Q181-T184 PolarHBondContact O-N 3.06Å; Q181-C185 PolarHBondContact O-N 2.97Å; Q181-C185 PolarHBondContact O-SG 3.41Å
182S82.9Confident85.6Confident11 Ų1157.6 Ų57.68%0.07730%0.295CS..Hα-helixtrans-59.1-45.1172.7179.80000111.4W162 K166 K178 S179 C185 G186W162-S182 PolarHBondContact NE1-O 2.95Å; K166-S182 WeakPolarHBondContact CD-OG 3.48Å; K178-S182 PolarHBondContact O-N 3Å; K178-S182 VanDerWaalsContact O-N 3.16Å; S179-S182 WeakPolarHBondContact O-CB 3.49Å; S179-S182 PolarHBondContact O-N 2.9Å; S182-C185 WeakPolarHBondContact O-CB 3.22Å; S182-C185 PolarHBondContact O-N 3.33Å; S182-G186 PolarHBondContact O-N 2.82Å
183A82.7Confident85.9Confident13 Ų1352.6 Ų52.611%0.10726%0.264CS..Hα-helixtrans-62.5-41.917600000112S179 Q181 C185 G186 S187 L255S179-A183 PolarHBondContact O-N 3.41Å; Q181-A183 VanDerWaalsContact C-N 3.34Å; Q181-A183 PolarHBondContact O-N 3.49Å; A183-C185 VanDerWaalsContact C-N 3.33Å; A183-C185 PolarHBondContact O-N 3.47Å; A183-G186 CarbonylContact O-C 3.57Å; A183-G186 WeakPolarHBondContact O-CA 3.29Å; A183-G186 PolarHBondContact O-N 3.41Å; A183-G186 VanDerWaalsContact O-N 3.08Å; A183-S187 PolarHBondContact O-N 3.01Å; A183-S187 PolarHBondContact O-OG 2.94Å; A183-L255 HydrophobicContact CB-CD1 4.41Å; A183-L255 HydrophobicContact CB-CD2 3.8Å
184T88Confident86.2Confident32 Ų3250.2 Ų50.220%0.19625%0.253CS..Hα-helixtrans-59.9-43.6175.7-57.40000111.4W169 W180 Q181 G186 S187 L188 F252W169-T184 HydrophobicContact CH2-CG2 4.42Å; W169-T184 HydrophobicContact CZ3-CG2 4.1Å; W180-T184 WeakPolarHBondContact O-CB 3.48Å; W180-T184 PolarHBondContact O-N 3.2Å; W180-T184 PolarHBondContact O-OG1 3.33Å; Q181-T184 WeakPolarHBondContact O-CB 3.32Å; Q181-T184 PolarHBondContact O-N 3.06Å; T184-G186 VanDerWaalsContact C-N 3.31Å; T184-G186 PolarHBondContact O-N 3.17Å; T184-S187 PolarHBondContact O-N 2.84Å; T184-L188 WeakPolarHBondContact O-CB 3.14Å; T184-L188 PolarHBondContact O-N 3.43Å; T184-F252 HydrophobicContact CG2-CZ 4.24Å
185C89.8Confident86.8Confident4 Ų442.5 Ų42.53%0.02723%0.225CC..Hα-helixtrans-61.1-41.6173.8-62.70000111.4L165 K166 W169 Q181 S182 A183 L188 A189L165-C185 HydrophobicContact CB-CB 3.81Å; K166-C185 HydrophobicContact CG-CB 3.99Å; W169-C185 VanDerWaalsContact CE3-SG 3.59Å; Q181-C185 PolarHBondContact O-N 2.97Å; Q181-C185 PolarHBondContact O-SG 3.41Å; S182-C185 WeakPolarHBondContact O-CB 3.22Å; S182-C185 PolarHBondContact O-N 3.33Å; A183-C185 VanDerWaalsContact C-N 3.33Å; A183-C185 PolarHBondContact O-N 3.47Å; C185-L188 PolarHBondContact O-N 2.89Å; C185-A189 VanDerWaalsContact O-CB 3.23Å; C185-A189 WeakPolarHBondContact O-CB 3.29Å; C185-A189 PolarHBondContact O-N 2.97Å
186G87.4Confident87.7Confident12 Ų1240.7 Ų40.712%0.12422%0.222CC..Hα-helixtrans-65.4-43.2178.100000112.9W162 S182 A183 T184 A189 G190W162-G186 VanDerWaalsContact CD1-N 3.29Å; S182-G186 PolarHBondContact O-N 2.82Å; A183-G186 CarbonylContact O-C 3.57Å; A183-G186 WeakPolarHBondContact O-CA 3.29Å; A183-G186 PolarHBondContact O-N 3.41Å; A183-G186 VanDerWaalsContact O-N 3.08Å; T184-G186 VanDerWaalsContact C-N 3.31Å; T184-G186 PolarHBondContact O-N 3.17Å; G186-A189 PolarHBondContact O-N 3.39Å; G186-G190 PolarHBondContact O-N 3.03Å
187S89.7Confident88.5Confident8 Ų835.6 Ų35.66%0.05619%0.188CC..Hα-helixtrans-62.1-45.1174.9-62.70000111.5A183 T184 G190 A191A183-S187 PolarHBondContact O-N 3.01Å; A183-S187 PolarHBondContact O-OG 2.94Å; T184-S187 PolarHBondContact O-N 2.84Å; S187-G190 PolarHBondContact O-N 3.14Å; S187-A191 WeakPolarHBondContact O-CB 3.34Å; S187-A191 PolarHBondContact O-N 3.46Å
188L93.1Very high89.3Confident87 Ų8733.8 Ų33.846%0.45518%0.179SC..Hα-helixtrans-66.8-44.4178-177.360.4000111.8L165 T184 C185 G190 A191 I192L165-L188 HydrophobicContact CD1-CB 4.28Å; L165-L188 HydrophobicContact CD1-CD2 4.08Å; L165-L188 HydrophobicContact CD1-CG 4.22Å; L165-L188 HydrophobicContact CD2-CD2 4.47Å; T184-L188 WeakPolarHBondContact O-CB 3.14Å; T184-L188 PolarHBondContact O-N 3.43Å; C185-L188 PolarHBondContact O-N 2.89Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.26Å; L188-A191 WeakPolarHBondContact O-CB 3.38Å; L188-A191 PolarHBondContact O-N 3.48Å; L188-I192 HydrophobicContact CD1-CD1 4.21Å; L188-I192 HydrophobicContact CG-CD1 4.13Å; L188-I192 WeakPolarHBondContact O-CG1 3.25Å; L188-I192 PolarHBondContact O-N 3.31Å
189A92.4Very high90.1Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-60.9-43.217500000111.5Q158 L161 W162 L165 C185 G186 I192 A193Q158-A189 HydrophobicContact CG-CB 4.37Å; L161-A189 HydrophobicContact CB-CB 4.02Å; L161-A189 HydrophobicContact CD2-CB 4.11Å; L161-A189 HydrophobicContact CG-CB 3.85Å; W162-A189 HydrophobicContact CB-CB 3.89Å; L165-A189 HydrophobicContact CD1-CB 4.24Å; C185-A189 VanDerWaalsContact O-CB 3.23Å; C185-A189 WeakPolarHBondContact O-CB 3.29Å; C185-A189 PolarHBondContact O-N 2.97Å; G186-A189 PolarHBondContact O-N 3.39Å; A189-I192 PolarHBondContact O-N 2.96Å; A189-A193 VanDerWaalsContact O-CB 3.27Å; A189-A193 WeakPolarHBondContact O-CB 3.29Å; A189-A193 PolarHBondContact O-N 2.93Å
190G92.1Very high91.1Very high2 Ų228.2 Ų28.22%0.02115%0.153CC..Hα-helixtrans-62-42.8175.300000112.2G186 S187 L188 G194 L247G186-G190 PolarHBondContact O-N 3.03Å; S187-G190 PolarHBondContact O-N 3.14Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.26Å; G190-G194 WeakPolarHBondContact O-CA 3.38Å; G190-G194 PolarHBondContact O-N 3.33Å; G190-L247 WeakPolarHBondContact O-CD1 3.48Å
191A94.1Very high91.7Very high8 Ų822.1 Ų22.17%0.06613%0.13CC..Hα-helixtrans-59.3-47.8175.500000112.2S187 L188 G194 A195 V244 T248S187-A191 WeakPolarHBondContact O-CB 3.34Å; S187-A191 PolarHBondContact O-N 3.46Å; L188-A191 WeakPolarHBondContact O-CB 3.38Å; L188-A191 PolarHBondContact O-N 3.48Å; A191-G194 PolarHBondContact O-N 2.9Å; A191-A195 WeakPolarHBondContact O-CB 3.36Å; A191-A195 PolarHBondContact O-N 3.46Å; A191-V244 HydrophobicContact CB-CG1 4.07Å; A191-T248 WeakPolarHBondContact CB-OG1 3.43Å
192I95.7Very high92.1Very high69 Ų6921.5 Ų21.535%0.35413%0.127SC..Hα-helixtrans-65.6-49.3178.9-66.7165000110.6L161 L188 A189 G194 A195 L196L161-I192 HydrophobicContact CD2-CB 3.77Å; L161-I192 HydrophobicContact CD2-CD1 3.85Å; L161-I192 HydrophobicContact CD2-CG1 4.41Å; L161-I192 HydrophobicContact CD2-CG2 3.73Å; L188-I192 HydrophobicContact CD1-CD1 4.21Å; L188-I192 HydrophobicContact CG-CD1 4.13Å; L188-I192 WeakPolarHBondContact O-CG1 3.25Å; L188-I192 PolarHBondContact O-N 3.31Å; A189-I192 PolarHBondContact O-N 2.96Å; I192-G194 VanDerWaalsContact C-N 3.25Å; I192-G194 PolarHBondContact O-N 2.9Å; I192-A195 PolarHBondContact O-N 2.81Å; I192-L196 HydrophobicContact CG2-CD1 4.12Å; I192-L196 WeakPolarHBondContact O-CG 3.48Å; I192-L196 PolarHBondContact O-N 2.87Å
193A94.5Very high92.5Very high0 Ų021 Ų210%012%0.124CC..Hα-helixtrans-58.9-39.5175.900000111.6F154 I157 Q158 A189 T197F154-A193 HydrophobicContact CD2-CB 3.8Å; F154-A193 HydrophobicContact CE2-CB 3.83Å; I157-A193 HydrophobicContact CB-CB 3.92Å; I157-A193 HydrophobicContact CG2-CB 3.72Å; Q158-A193 HydrophobicContact CB-CB 3.94Å; A189-A193 VanDerWaalsContact O-CB 3.27Å; A189-A193 WeakPolarHBondContact O-CB 3.29Å; A189-A193 PolarHBondContact O-N 2.93Å; A193-T197 WeakPolarHBondContact O-CB 3.49Å; A193-T197 WeakPolarHBondContact O-CG2 3.07Å; A193-T197 PolarHBondContact O-N 3.4Å; A193-T197 PolarHBondContact O-OG1 3.35Å
194G94.2Very high92.9Very high0 Ų020.5 Ų20.50%012%0.119CC..Hα-helixtrans-64-45176.800000112.3G190 A191 I192 T197 T198 R243G190-G194 WeakPolarHBondContact O-CA 3.38Å; G190-G194 PolarHBondContact O-N 3.33Å; A191-G194 PolarHBondContact O-N 2.9Å; I192-G194 VanDerWaalsContact C-N 3.25Å; I192-G194 PolarHBondContact O-N 2.9Å; G194-T197 PolarHBondContact O-N 3.06Å; G194-T198 PolarHBondContact O-N 3.29Å; G194-T198 VanDerWaalsContact O-N 3.15Å; G194-T198 PolarHBondContact O-OG1 3.02Å; G194-R243 PolarHBondContact O-NE 3.33Å; G194-R243 PolarHBondContact O-NH1 3.24Å
195A95.6Very high93.1Very high28 Ų2819 Ų1923%0.23111%0.11CC..Hα-helixtrans-60.3-51.6175.700000111.3A191 I192 T197 T198 V240 V244A191-A195 WeakPolarHBondContact O-CB 3.36Å; A191-A195 PolarHBondContact O-N 3.46Å; I192-A195 PolarHBondContact O-N 2.81Å; A195-T197 VanDerWaalsContact C-N 3.29Å; A195-T197 PolarHBondContact O-N 2.67Å; A195-T198 VanDerWaalsContact O-CB 3.32Å; A195-T198 WeakPolarHBondContact O-CB 3.26Å; A195-T198 PolarHBondContact O-N 3.36Å; A195-T198 VanDerWaalsContact O-N 3.11Å; A195-T198 PolarHBondContact O-OG1 3.29Å; A195-T198 VanDerWaalsContact O-OG1 3.1Å; A195-V240 HydrophobicContact CB-CG2 4.14Å; A195-V244 HydrophobicContact CB-CG2 3.97Å
196L95.9Very high93.2Very high109 Ų10919.8 Ų19.857%0.57111%0.112SC*.Hα-helixtrans-63.1-33-178.5-67.8176000113.3I157 I192I157-L196 HydrophobicContact CD1-CB 4.25Å; I157-L196 HydrophobicContact CD1-CD1 4.28Å; I157-L196 HydrophobicContact CG2-CD1 4.29Å; I192-L196 HydrophobicContact CG2-CD1 4.12Å; I192-L196 WeakPolarHBondContact O-CG 3.48Å; I192-L196 PolarHBondContact O-N 2.87Å
197T95.3Very high93.3Very high4 Ų419.6 Ų19.63%0.02511%0.109CC..THydrogen-bonded Turntrans-94.211.5178.8600000113.2P153 F154 I157 A193 G194 A195 L200 D201 R243P153-T197 HydrophobicContact CB-CG2 4.1Å; F154-T197 HydrophobicContact CB-CG2 4.24Å; I157-T197 HydrophobicContact CD1-CG2 4.13Å; A193-T197 WeakPolarHBondContact O-CB 3.49Å; A193-T197 WeakPolarHBondContact O-CG2 3.07Å; A193-T197 PolarHBondContact O-N 3.4Å; A193-T197 PolarHBondContact O-OG1 3.35Å; G194-T197 PolarHBondContact O-N 3.06Å; A195-T197 VanDerWaalsContact C-N 3.29Å; A195-T197 PolarHBondContact O-N 2.67Å; T197-L200 PolarHBondContact O-N 3.45Å; T197-D201 PolarHBondContact O-N 2.98Å; T197-D201 VanDerWaalsContact O-N 3.13Å; T197-R243 PolarHBondContact O-NH1 3.11Å; T197-R243 PolarHBondContact OG1-NH1 2.93Å; T197-R243 PolarHBondContact OG1-NH2 3.3Å
198T95.1Very high93.2Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-60.4-40.1177-62.10000113.6G194 A195 L200 D201 M202 L236 V240 R243G194-T198 PolarHBondContact O-N 3.29Å; G194-T198 VanDerWaalsContact O-N 3.15Å; G194-T198 PolarHBondContact O-OG1 3.02Å; A195-T198 VanDerWaalsContact O-CB 3.32Å; A195-T198 WeakPolarHBondContact O-CB 3.26Å; A195-T198 PolarHBondContact O-N 3.36Å; A195-T198 VanDerWaalsContact O-N 3.11Å; A195-T198 PolarHBondContact O-OG1 3.29Å; A195-T198 VanDerWaalsContact O-OG1 3.1Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 3.5Å; T198-D201 PolarHBondContact O-N 3.22Å; T198-D201 VanDerWaalsContact O-N 3.14Å; T198-M202 WeakPolarHBondContact O-CB 3.35Å; T198-M202 PolarHBondContact O-N 3.49Å; T198-L236 CarbonylContact C-O 3.53Å; T198-V240 HydrophobicContact CG2-CB 4.02Å; T198-R243 VanDerWaalsContact N-NH1 3.16Å
199P94.7Very high93Very high24 Ų2416.4 Ų16.416%0.1569%0.091CC..Hα-helixtrans-54.2-45.1173.8-29.137.2000113.2M202 A203 L224 L236 F237P199-M202 PolarHBondContact O-N 3.18Å; P199-A203 PolarHBondContact O-N 2.98Å; P199-L224 HydrophobicContact CB-CD2 3.94Å; P199-L224 VanDerWaalsContact O-CD2 3.27Å; P199-L224 WeakPolarHBondContact O-CD2 3.28Å; P199-L236 VanDerWaalsContact CA-O 3.27Å; P199-L236 WeakPolarHBondContact CA-O 3.11Å; P199-L236 HydrophobicContact CB-CB 4.12Å; P199-L236 HydrophobicContact CG-CB 4.1Å; P199-F237 HydrophobicContact CG-CE1 4.2Å; P199-F237 HydrophobicContact CG-CE2 4.09Å; P199-F237 HydrophobicContact CG-CZ 3.89Å
200L93.9Very high92.6Very high39 Ų3918 Ų1820%0.20410%0.102CC..Hα-helixtrans-67.6-37.3179.3-66.1170.9000112.5R150 P153 T197 T198 A203 K204 V220 L224R150-L200 HydrophobicContact CB-CB 4.1Å; R150-L200 HydrophobicContact CG-CB 4.13Å; P153-L200 HydrophobicContact CB-CD1 4.27Å; P153-L200 HydrophobicContact CG-CD1 3.98Å; T197-L200 PolarHBondContact O-N 3.45Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 3.5Å; L200-A203 PolarHBondContact O-N 2.88Å; L200-K204 WeakPolarHBondContact O-CB 3.35Å; L200-K204 PolarHBondContact O-N 3.5Å; L200-V220 HydrophobicContact CD2-CG1 4.08Å; L200-L224 HydrophobicContact CD2-CD1 4.32Å
201D93.1Very high91.6Very high1 Ų122.9 Ų22.91%0.00513%0.128CC..Hα-helixtrans-68.6-40.7177.2-167.568.7000111.6Q37 R150 T197 T198 A203 K204 T205Q37-D201 PolarHBondContact NE2-OD2 3.48Å; Q37-D201 PolarHBondContact OE1-OD2 3.37Å; R150-D201 VanDerWaalsContact CD-OD1 3.28Å; R150-D201 WeakPolarHBondContact CD-OD1 3.35Å; R150-D201 HydrophobicContact CG-CB 4.28Å; R150-D201 IonicContact NH1-OD1 2.72Å; R150-D201 PolarHBondContact NH1-OD1 3.46Å; T197-D201 PolarHBondContact O-N 2.98Å; T197-D201 VanDerWaalsContact O-N 3.13Å; T198-D201 PolarHBondContact O-N 3.22Å; T198-D201 VanDerWaalsContact O-N 3.14Å; D201-A203 PolarHBondContact O-N 2.96Å; D201-K204 WeakPolarHBondContact O-CB 3.33Å; D201-K204 PolarHBondContact O-N 2.87Å; D201-T205 PolarHBondContact O-N 3.33Å; D201-T205 PolarHBondContact O-OG1 3.41Å; D201-T205 VanDerWaalsContact O-OG1 3.08Å
202M93.5Very high90.2Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-59.4-46.8172.2-176.9-78.6-140.700111.2Q37 T198 P199 K204 T205 R206 A227 S235Q37-M202 HydrophobicContact CB-CG 4.41Å; Q37-M202 HydrophobicContact CG-CB 4.25Å; Q37-M202 HydrophobicContact CG-CG 4.35Å; T198-M202 WeakPolarHBondContact O-CB 3.35Å; T198-M202 PolarHBondContact O-N 3.49Å; P199-M202 PolarHBondContact O-N 3.18Å; M202-K204 PolarHBondContact O-N 3.49Å; M202-T205 PolarHBondContact O-N 2.9Å; M202-R206 VanDerWaalsContact CE-NE 3.3Å; M202-R206 PolarHBondContact O-N 3.33Å; M202-R206 VanDerWaalsContact SD-CD 3.55Å; M202-R206 HydrophobicContact SD-CG 4.08Å; M202-R206 PolarHBondContact SD-NE 2.75Å; M202-R206 VanDerWaalsContact SD-NE 3.41Å; M202-A227 HydrophobicContact CE-CB 3.44Å; M202-A227 VanDerWaalsContact CE-CB 3.44Å; M202-A227 HydrophobicContact SD-CB 4.5Å; M202-S235 VanDerWaalsContact CE-O 3.27Å; M202-S235 WeakPolarHBondContact CE-O 3.33Å
203A92.3Very high88.3Confident0 Ų029.7 Ų29.70%016%0.158CC..Hα-helixtrans-61.9-44.517700000112P199 L200 D201 T205 R206 V207 V220 V223 L224P199-A203 PolarHBondContact O-N 2.98Å; L200-A203 PolarHBondContact O-N 2.88Å; D201-A203 PolarHBondContact O-N 2.96Å; A203-T205 PolarHBondContact O-N 2.91Å; A203-R206 PolarHBondContact O-N 3.37Å; A203-V207 VanDerWaalsContact O-CG2 3.28Å; A203-V207 WeakPolarHBondContact O-CG2 3.23Å; A203-V207 PolarHBondContact O-N 3.44Å; A203-V220 HydrophobicContact CB-CG1 3.84Å; A203-V223 HydrophobicContact CB-CB 4.37Å; A203-V223 HydrophobicContact CB-CG1 4.11Å; A203-L224 HydrophobicContact CB-CD2 3.91Å; A203-L224 HydrophobicContact CB-CG 3.92Å
204K91.7Very high86Confident4 Ų435.1 Ų35.12%0.01718%0.183CC..Hα-helixtrans-54.1-52.6172.6174.3-157.2165.4-163.90111E110 A146 T147 L200 D201 M202 R206 V207 M208E110-K204 IonicContact OE1-NZ 3.75Å; E110-K204 PolarHBondContact OE1-NZ 3.44Å; A146-K204 HydrophobicContact CB-CB 3.88Å; A146-K204 HydrophobicContact CB-CG 4.19Å; T147-K204 WeakPolarHBondContact OG1-CE 3.49Å; L200-K204 WeakPolarHBondContact O-CB 3.35Å; L200-K204 PolarHBondContact O-N 3.5Å; D201-K204 WeakPolarHBondContact O-CB 3.33Å; D201-K204 PolarHBondContact O-N 2.87Å; M202-K204 PolarHBondContact O-N 3.49Å; K204-R206 PolarHBondContact O-N 3.33Å; K204-V207 PolarHBondContact O-N 2.85Å; K204-M208 HydrophobicContact CD-CE 4.27Å; K204-M208 HydrophobicContact CD-SD 4.41Å; K204-M208 VanDerWaalsContact CE-SD 3.52Å; K204-M208 HydrophobicContact CG-CE 3.96Å; K204-M208 HydrophobicContact CG-CG 4.47Å; K204-M208 HydrophobicContact CG-SD 4.04Å; K204-M208 WeakPolarHBondContact O-CG 3.37Å; K204-M208 PolarHBondContact O-N 3.47Å
205T91.1Very high83.7Confident0 Ų039.1 Ų39.10%022%0.224CC..Hα-helixtrans-60.1-45.2-177.8-62.80000111.5T34 Q37 D201 M202 A203 V207 M208 L209T34-T205 HydrophobicContact CG2-CG2 4Å; Q37-T205 HydrophobicContact CB-CG2 3.75Å; Q37-T205 PolarHBondContact OE1-OG1 3.23Å; D201-T205 PolarHBondContact O-N 3.33Å; D201-T205 PolarHBondContact O-OG1 3.41Å; D201-T205 VanDerWaalsContact O-OG1 3.08Å; M202-T205 PolarHBondContact O-N 2.9Å; A203-T205 PolarHBondContact O-N 2.91Å; T205-V207 PolarHBondContact O-N 2.99Å; T205-M208 PolarHBondContact O-N 3.32Å; T205-L209 HydrophobicContact CG2-CD1 3.77Å; T205-L209 HydrophobicContact CG2-CG 4.27Å; T205-L209 WeakPolarHBondContact O-CB 3.29Å; T205-L209 VanDerWaalsContact O-CG 3.24Å; T205-L209 WeakPolarHBondContact O-CG 3.45Å; T205-L209 PolarHBondContact O-N 2.87Å
206R91.2Very high81.5Confident20 Ų2044.3 Ų44.38%0.07524%0.244CC..Hα-helixtrans-62.8-40.4175.8-72.9-170.9178.1-168.51.9113.1Q37 M202 A203 K204 S210 V223Q37-R206 VanDerWaalsContact O-CG 3.29Å; Q37-R206 WeakPolarHBondContact O-CG 3.28Å; Q37-R206 PolarHBondContact O-NE 3.13Å; M202-R206 VanDerWaalsContact CE-NE 3.3Å; M202-R206 PolarHBondContact O-N 3.33Å; M202-R206 VanDerWaalsContact SD-CD 3.55Å; M202-R206 HydrophobicContact SD-CG 4.08Å; M202-R206 PolarHBondContact SD-NE 2.75Å; M202-R206 VanDerWaalsContact SD-NE 3.41Å; A203-R206 PolarHBondContact O-N 3.37Å; K204-R206 PolarHBondContact O-N 3.33Å; R206-S210 WeakPolarHBondContact O-CB 3.29Å; R206-S210 PolarHBondContact O-N 2.87Å; R206-V223 HydrophobicContact CB-CG1 3.71Å; R206-V223 HydrophobicContact CG-CG1 4.32Å
207V89.7Confident79.4Confident9 Ų940.7 Ų40.76%0.05523%0.227CC..Hα-helixtrans-61.7-47.1174.7171.40000110.4R142 A203 K204 T205 L209 S210 V223R142-V207 WeakPolarHBondContact CD-O 3.48Å; R142-V207 HydrophobicContact CG-CG1 4.18Å; R142-V207 WeakPolarHBondContact CG-O 3.32Å; A203-V207 VanDerWaalsContact O-CG2 3.28Å; A203-V207 WeakPolarHBondContact O-CG2 3.23Å; A203-V207 PolarHBondContact O-N 3.44Å; K204-V207 PolarHBondContact O-N 2.85Å; T205-V207 PolarHBondContact O-N 2.99Å; V207-L209 PolarHBondContact O-N 2.98Å; V207-S210 WeakPolarHBondContact O-CB 3.25Å; V207-S210 PolarHBondContact O-N 2.93Å; V207-V223 HydrophobicContact CG2-CG2 3.85Å
208M89.1Confident77.8Confident0 Ų043.9 Ų43.90%024%0.244CC..Hα-helixtrans-63.7-39.5-179.5-71.1-174164.800113.1V107 E110 V111 Q114 R115 R142 T147 K204 T205V107-M208 HydrophobicContact CG1-CE 4.25Å; E110-M208 HydrophobicContact CG-CE 4.16Å; E110-M208 HydrophobicContact CG-SD 3.9Å; V111-M208 HydrophobicContact CG2-CB 4.35Å; V111-M208 HydrophobicContact CG2-CE 4.02Å; V111-M208 HydrophobicContact CG2-CG 3.93Å; V111-M208 HydrophobicContact CG2-SD 4.04Å; Q114-M208 PolarHBondContact OE1-SD 3.46Å; R115-M208 PolarHBondContact NE-O 2.7Å; R115-M208 PolarHBondContact NH2-O 3.23Å; R142-M208 WeakPolarHBondContact O-CG 3.47Å; T147-M208 WeakPolarHBondContact OG1-CE 3.29Å; K204-M208 HydrophobicContact CD-CE 4.27Å; K204-M208 HydrophobicContact CD-SD 4.41Å; K204-M208 VanDerWaalsContact CE-SD 3.52Å; K204-M208 HydrophobicContact CG-CE 3.96Å; K204-M208 HydrophobicContact CG-CG 4.47Å; K204-M208 HydrophobicContact CG-SD 4.04Å; K204-M208 WeakPolarHBondContact O-CG 3.37Å; K204-M208 PolarHBondContact O-N 3.47Å; T205-M208 PolarHBondContact O-N 3.32Å
209L87.2Confident77Confident27 Ų2746 Ų4614%0.14127%0.266CS..Hα-helixtrans-76.9-18.6179.5-66-179.8000113.8T34 Q114 R115 A118 T205 V207T34-L209 HydrophobicContact CG2-CD1 4.39Å; Q114-L209 HydrophobicContact CB-CD2 4.13Å; Q114-L209 WeakPolarHBondContact O-CD2 3.23Å; R115-L209 HydrophobicContact CG-CD2 4.14Å; A118-L209 HydrophobicContact CB-CD1 4.04Å; A118-L209 HydrophobicContact CB-CD2 3.59Å; A118-L209 HydrophobicContact CB-CG 4.46Å; T205-L209 HydrophobicContact CG2-CD1 3.77Å; T205-L209 HydrophobicContact CG2-CG 4.27Å; T205-L209 WeakPolarHBondContact O-CB 3.29Å; T205-L209 VanDerWaalsContact O-CG 3.24Å; T205-L209 WeakPolarHBondContact O-CG 3.45Å; T205-L209 PolarHBondContact O-N 2.87Å; V207-L209 PolarHBondContact O-N 2.98Å
210S84.6Confident76.6Confident33 Ų3346 Ų4623%0.23127%0.265CS..  trans-63.2138.4179.6-178.80000112.4R115 R142 R206 V207 K212R115-S210 PolarHBondContact NH2-O 3.48Å; R142-S210 WeakPolarHBondContact CD-O 3.34Å; R142-S210 PolarHBondContact NE-O 3.32Å; R142-S210 PolarHBondContact NH1-O 2.89Å; R142-S210 VanDerWaalsContact NH1-O 3.13Å; R206-S210 WeakPolarHBondContact O-CB 3.29Å; R206-S210 PolarHBondContact O-N 2.87Å; V207-S210 WeakPolarHBondContact O-CB 3.25Å; V207-S210 PolarHBondContact O-N 2.93Å; S210-K212 PolarHBondContact OG-N 3.48Å
211N71.7Confident76.3Confident105 Ų10550.4 Ų50.456%0.56129%0.288SS*.  trans-88.3-9.2173.3-62.4-45.8000113R142 I213R142-N211 PolarHBondContact NH2-O 2.87Å; N211-I213 PolarHBondContact O-N 3.45Å
212K65.1Low76.1Confident117 Ų11752.5 Ų52.551%0.50930%0.303SS..SBendtrans-73.3115.4-176.9-66.4-172.4177.2-175.40111.9R142 S210 Q216R142-K212 PolarHBondContact NH2-O 2.92Å; S210-K212 PolarHBondContact OG-N 3.48Å; K212-Q216 HydrophobicContact CB-CB 4.16Å; K212-Q216 HydrophobicContact CD-CB 4.45Å
213I54.4Low75.9Confident104 Ų10453 Ų5353%0.53331%0.306SS..  trans-49.4144.7-176.7-60.7171.9000111.3R142 N211 G215 Q216 S217R142-I213 VanDerWaalsContact NH2-N 3.17Å; N211-I213 PolarHBondContact O-N 3.45Å; I213-G215 PolarHBondContact O-N 2.99Å; I213-Q216 PolarHBondContact O-N 3.31Å; I213-S217 PolarHBondContact O-N 3.39Å
214Q47.5Very low75.8Confident114 Ų11454.9 Ų54.953%0.53332%0.315SS..THydrogen-bonded Turntrans-45.7124.1173.1-90.2177.7-17.800109.6
215G44.8Very low75.8Confident83 Ų8357.1 Ų57.186%0.85633%0.329SS*.THydrogen-bonded Turntrans114.8-28.6-16800000114.2I213I213-G215 PolarHBondContact O-N 2.99Å
216Q49.2Very low75.8Confident138 Ų13860 Ų6065%0.64535%0.345SS*.THydrogen-bonded Turntrans-115.5-2.4166.7-74.7-171-3.800113.2K212 I213 N218K212-Q216 HydrophobicContact CB-CB 4.16Å; K212-Q216 HydrophobicContact CD-CB 4.45Å; I213-Q216 PolarHBondContact O-N 3.31Å; Q216-N218 PolarHBondContact O-N 3.45Å; Q216-N218 VanDerWaalsContact O-N 3.16Å
217S52.8Low75.7Confident32 Ų3259.1 Ų59.122%0.22434%0.341CS..SBendtrans-70.9107.1173.41750000109.1I213 G219I213-S217 PolarHBondContact O-N 3.39Å; S217-G219 PolarHBondContact O-N 2.85Å
218N61Low75.8Confident72 Ų7266.2 Ų66.239%0.38537%0.367SS..  trans-40.1114.2164.5-743.2000108.8Q216 S222 V223Q216-N218 PolarHBondContact O-N 3.45Å; Q216-N218 VanDerWaalsContact O-N 3.16Å; N218-S222 WeakPolarHBondContact CA-OG 3.44Å; N218-S222 WeakPolarHBondContact CB-OG 3.32Å; N218-V223 HydrophobicContact CB-CG2 3.65Å; N218-V223 WeakPolarHBondContact O-CG2 3.28Å
219G77.6Confident75.9Confident44 Ų4475.8 Ų75.845%0.45440%0.403SS..  trans-54.5165.2170.600000111.1S217 I221 S222 V223S217-G219 PolarHBondContact O-N 2.85Å; G219-I221 PolarHBondContact O-N 2.88Å; G219-I221 VanDerWaalsContact O-N 3.08Å; G219-S222 PolarHBondContact N-OG 3.35Å; G219-S222 PolarHBondContact O-N 3.37Å; G219-S222 PolarHBondContact O-OG 3.48Å; G219-V223 PolarHBondContact O-N 2.83Å
220V86.3Confident76Confident23 Ų2381.3 Ų81.314%0.13943%0.428CS..Hα-helixtrans-46.4-46.7-177.9-1780000111.4A146 L200 A203 V223 L224A146-V220 HydrophobicContact CB-CG2 3.56Å; L200-V220 HydrophobicContact CD2-CG1 4.08Å; A203-V220 HydrophobicContact CB-CG1 3.84Å; V220-V223 PolarHBondContact O-N 2.98Å; V220-L224 HydrophobicContact CG1-CD1 4.09Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.48Å; V220-L224 PolarHBondContact O-N 3.4Å
221I88.6Confident76.2Confident132 Ų13284.3 Ų84.368%0.67744%0.439SS*.Hα-helixtrans-61.4-49.3179.3-60.4172.9000111.5G219 V223 L224 V225G219-I221 PolarHBondContact O-N 2.88Å; G219-I221 VanDerWaalsContact O-N 3.08Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.45Å; I221-L224 WeakPolarHBondContact O-CB 3.45Å; I221-L224 PolarHBondContact O-N 3Å; I221-V225 HydrophobicContact CG2-CG2 4.2Å; I221-V225 WeakPolarHBondContact O-CB 3.42Å; I221-V225 VanDerWaalsContact O-CG2 3.29Å; I221-V225 WeakPolarHBondContact O-CG2 3.48Å; I221-V225 PolarHBondContact O-N 3.44Å
222S88.2Confident77Confident46 Ų4680.8 Ų80.832%0.32243%0.427SS..Hα-helixtrans-64.8-32179.549.90000113.1N218 G219 D226N218-S222 WeakPolarHBondContact CA-OG 3.44Å; N218-S222 WeakPolarHBondContact CB-OG 3.32Å; G219-S222 PolarHBondContact N-OG 3.35Å; G219-S222 PolarHBondContact O-N 3.37Å; G219-S222 PolarHBondContact O-OG 3.48Å; S222-D226 WeakPolarHBondContact O-CB 3.27Å; S222-D226 PolarHBondContact O-N 3.3Å
223V89.2Confident78.3Confident11 Ų1181.4 Ų81.47%0.06743%0.43CS..Hα-helixtrans-68.7-40.9173.2174.60000111.4A203 R206 V207 N218 G219 V220 I221 A227A203-V223 HydrophobicContact CB-CB 4.37Å; A203-V223 HydrophobicContact CB-CG1 4.11Å; R206-V223 HydrophobicContact CB-CG1 3.71Å; R206-V223 HydrophobicContact CG-CG1 4.32Å; V207-V223 HydrophobicContact CG2-CG2 3.85Å; N218-V223 HydrophobicContact CB-CG2 3.65Å; N218-V223 WeakPolarHBondContact O-CG2 3.28Å; G219-V223 PolarHBondContact O-N 2.83Å; V220-V223 PolarHBondContact O-N 2.98Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.45Å; V223-A227 VanDerWaalsContact O-CB 3.27Å; V223-A227 WeakPolarHBondContact O-CB 3.44Å; V223-A227 PolarHBondContact O-N 2.94Å
224L91.3Very high80.1Confident38 Ų3880.3 Ų80.320%0.19944%0.437CS..Hα-helixtrans-62.7-46174.7-70.3169.7000111.5P199 L200 A203 V220 I221 A227 W228 L236P199-L224 HydrophobicContact CB-CD2 3.94Å; P199-L224 VanDerWaalsContact O-CD2 3.27Å; P199-L224 WeakPolarHBondContact O-CD2 3.28Å; L200-L224 HydrophobicContact CD2-CD1 4.32Å; A203-L224 HydrophobicContact CB-CD2 3.91Å; A203-L224 HydrophobicContact CB-CG 3.92Å; V220-L224 HydrophobicContact CG1-CD1 4.09Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.48Å; V220-L224 PolarHBondContact O-N 3.4Å; I221-L224 WeakPolarHBondContact O-CB 3.45Å; I221-L224 PolarHBondContact O-N 3Å; L224-A227 PolarHBondContact O-N 3.42Å; L224-W228 WeakPolarHBondContact O-CB 3.39Å; L224-W228 PolarHBondContact O-N 3.2Å; L224-L236 HydrophobicContact CD2-CD2 3.94Å
225V91.5Very high82Confident51 Ų5175.5 Ų75.531%0.30942%0.416SS..Hα-helixtrans-65.3-44.7179.3171.90000111.1I221 W228 R229I221-V225 HydrophobicContact CG2-CG2 4.2Å; I221-V225 WeakPolarHBondContact O-CB 3.42Å; I221-V225 VanDerWaalsContact O-CG2 3.29Å; I221-V225 WeakPolarHBondContact O-CG2 3.48Å; I221-V225 PolarHBondContact O-N 3.44Å; V225-W228 PolarHBondContact O-N 3.42Å; V225-R229 HydrophobicContact CG1-CG 4.29Å; V225-R229 WeakPolarHBondContact O-CB 3.47Å; V225-R229 VanDerWaalsContact O-CG 3.3Å; V225-R229 WeakPolarHBondContact O-CG 3.16Å; V225-R229 PolarHBondContact O-N 3.4Å
226D90Very high84.3Confident62 Ų6272.3 Ų72.333%0.33238%0.379SS..Hα-helixtrans-59.2-48.2176.2178.876.1000111.5S222 W228 R229 H230S222-D226 WeakPolarHBondContact O-CB 3.27Å; S222-D226 PolarHBondContact O-N 3.3Å; D226-W228 PolarHBondContact O-N 2.84Å; D226-R229 PolarHBondContact O-N 2.94Å; D226-H230 WeakPolarHBondContact O-CB 3.4Å; D226-H230 PolarHBondContact O-CD2 2.94Å; D226-H230 PolarHBondContact O-N 3.4Å; D226-H230 IonicContact OD1-CD2 3.18Å; D226-H230 PolarHBondContact OD1-CD2 3.48Å; D226-H230 IonicContact OD1-NE2 3.69Å
227A89.4Confident86.4Confident0 Ų068.9 Ų68.90%036%0.362CS..Hα-helixtrans-59.8-47176.300000112.3M202 V223 L224 R229 Q231 G232 S235 L236M202-A227 HydrophobicContact CE-CB 3.44Å; M202-A227 VanDerWaalsContact CE-CB 3.44Å; M202-A227 HydrophobicContact SD-CB 4.5Å; V223-A227 VanDerWaalsContact O-CB 3.27Å; V223-A227 WeakPolarHBondContact O-CB 3.44Å; V223-A227 PolarHBondContact O-N 2.94Å; L224-A227 PolarHBondContact O-N 3.42Å; A227-R229 PolarHBondContact O-N 3.48Å; A227-Q231 WeakPolarHBondContact O-CA 3.34Å; A227-Q231 WeakPolarHBondContact O-CB 3.44Å; A227-Q231 PolarHBondContact O-N 3.03Å; A227-G232 PolarHBondContact O-N 3.38Å; A227-S235 PolarHBondContact O-OG 2.86Å; A227-L236 HydrophobicContact CB-CD2 3.84Å
228W92Very high88.3Confident158 Ų15868.4 Ų68.460%0.59836%0.36SS*.Hα-helixtrans-63.3-43.4179.4-176.919.3000111.9L224 V225 D226 G232 L236L224-W228 WeakPolarHBondContact O-CB 3.39Å; L224-W228 PolarHBondContact O-N 3.2Å; V225-W228 PolarHBondContact O-N 3.42Å; D226-W228 PolarHBondContact O-N 2.84Å; W228-G232 VanDerWaalsContact O-CA 3.25Å; W228-G232 WeakPolarHBondContact O-CA 3.46Å; W228-G232 PolarHBondContact O-N 2.91Å; W228-G232 VanDerWaalsContact O-N 3.17Å; W228-L236 HydrophobicContact CB-CD1 4.47Å
229R91.2Very high89.7Confident201 Ų20165.4 Ų65.476%0.75835%0.346SS*.Hα-helixtrans-70.9-40.3-179-73.6-178.3178.8-169.60.1113.5V225 D226 A227V225-R229 HydrophobicContact CG1-CG 4.29Å; V225-R229 WeakPolarHBondContact O-CB 3.47Å; V225-R229 VanDerWaalsContact O-CG 3.3Å; V225-R229 WeakPolarHBondContact O-CG 3.16Å; V225-R229 PolarHBondContact O-N 3.4Å; D226-R229 PolarHBondContact O-N 2.94Å; A227-R229 PolarHBondContact O-N 3.48Å
230H89.4Confident90.5Very high143 Ų14365.1 Ų65.166%0.66234%0.335SS*.Hα-helixtrans-97.4-25.5-172.7-68.8-69.4000114.5D226D226-H230 WeakPolarHBondContact O-CB 3.4Å; D226-H230 PolarHBondContact O-CD2 2.94Å; D226-H230 PolarHBondContact O-N 3.4Å; D226-H230 IonicContact OD1-CD2 3.18Å; D226-H230 PolarHBondContact OD1-CD2 3.48Å; D226-H230 IonicContact OD1-NE2 3.69Å
231Q88.1Confident90.9Very high97 Ų9768.6 Ų68.645%0.45336%0.356SS..Hα-helixtrans-123.2-2.4-175.3-56.5178.1900113A227 S235A227-Q231 WeakPolarHBondContact O-CA 3.34Å; A227-Q231 WeakPolarHBondContact O-CB 3.44Å; A227-Q231 PolarHBondContact O-N 3.03Å; Q231-S235 VanDerWaalsContact CB-CB 3.47Å
232G90.4Very high91.1Very high31 Ų3162.9 Ų62.932%0.3233%0.328SS..  trans81171.9-179.400000113.7A227 W228 A234 S235A227-G232 PolarHBondContact O-N 3.38Å; W228-G232 VanDerWaalsContact O-CA 3.25Å; W228-G232 WeakPolarHBondContact O-CA 3.46Å; W228-G232 PolarHBondContact O-N 2.91Å; W228-G232 VanDerWaalsContact O-N 3.17Å; G232-A234 VanDerWaalsContact C-N 3.34Å; G232-A234 PolarHBondContact O-N 3.37Å; G232-S235 WeakPolarHBondContact O-CB 3.38Å; G232-S235 PolarHBondContact O-N 2.89Å; G232-S235 PolarHBondContact O-OG 3.34Å
233F91.4Very high91.3Very high129 Ų12961.1 Ų61.157%0.56631%0.314SS*.G310 helixtrans-62.8-36.7-174.7-178-102.1000113.3S235 L236 F237F233-S235 PolarHBondContact O-N 2.78Å; F233-S235 VanDerWaalsContact O-N 3.16Å; F233-L236 HydrophobicContact CD2-CD1 3.89Å; F233-L236 HydrophobicContact CE2-CD1 4.11Å; F233-L236 WeakPolarHBondContact O-CB 3.42Å; F233-L236 WeakPolarHBondContact O-CG 3.21Å; F233-L236 PolarHBondContact O-N 2.87Å; F233-L236 VanDerWaalsContact O-N 3.09Å; F233-F237 HydrophobicContact CE1-CD2 4.32Å; F233-F237 AromaticContact CE1-CE2 3.79Å; F233-F237 HydrophobicContact CE1-CE2 3.79Å; F233-F237 AromaticContact CZ-CE2 3.74Å; F233-F237 HydrophobicContact CZ-CE2 3.74Å
234A91.2Very high91.5Very high82 Ų8262.5 Ų62.568%0.67832%0.323SS*.G310 helixtrans-60.2-27179.100000113G232 L236 F237G232-A234 VanDerWaalsContact C-N 3.34Å; G232-A234 PolarHBondContact O-N 3.37Å; A234-L236 PolarHBondContact O-N 2.88Å; A234-F237 PolarHBondContact O-N 3.48Å; A234-F237 VanDerWaalsContact O-N 3.1Å
235S89.2Confident91.7Very high13 Ų1364.3 Ų64.39%0.09133%0.332CS..G310 helixtrans-63.5-27177.7750000113.2M202 A227 Q231 G232 F233 F237 A238M202-S235 VanDerWaalsContact CE-O 3.27Å; M202-S235 WeakPolarHBondContact CE-O 3.33Å; A227-S235 PolarHBondContact O-OG 2.86Å; Q231-S235 VanDerWaalsContact CB-CB 3.47Å; G232-S235 WeakPolarHBondContact O-CB 3.38Å; G232-S235 PolarHBondContact O-N 2.89Å; G232-S235 PolarHBondContact O-OG 3.34Å; F233-S235 PolarHBondContact O-N 2.78Å; F233-S235 VanDerWaalsContact O-N 3.16Å; S235-F237 PolarHBondContact O-N 2.68Å; S235-A238 WeakPolarHBondContact O-CB 3.34Å; S235-A238 PolarHBondContact O-N 3.48Å; S235-A238 VanDerWaalsContact O-N 3.13Å
236L92.3Very high91.8Very high15 Ų1565.4 Ų65.48%0.07933%0.331CS..G310 helixtrans-66.1-24.3176.9-58.5179.6000112T198 P199 L224 A227 W228 F233 A234T198-L236 CarbonylContact C-O 3.53Å; P199-L236 VanDerWaalsContact CA-O 3.27Å; P199-L236 WeakPolarHBondContact CA-O 3.11Å; P199-L236 HydrophobicContact CB-CB 4.12Å; P199-L236 HydrophobicContact CG-CB 4.1Å; L224-L236 HydrophobicContact CD2-CD2 3.94Å; A227-L236 HydrophobicContact CB-CD2 3.84Å; W228-L236 HydrophobicContact CB-CD1 4.47Å; F233-L236 HydrophobicContact CD2-CD1 3.89Å; F233-L236 HydrophobicContact CE2-CD1 4.11Å; F233-L236 WeakPolarHBondContact O-CB 3.42Å; F233-L236 WeakPolarHBondContact O-CG 3.21Å; F233-L236 PolarHBondContact O-N 2.87Å; F233-L236 VanDerWaalsContact O-N 3.09Å; A234-L236 PolarHBondContact O-N 2.88Å
237F94.2Very high91.8Very high66 Ų6664 Ų6429%0.28932%0.323SS..G310 helixtrans-99.815.7177.6-68.8-89.7000112.7P199 F233 A234 S235 G239 V240P199-F237 HydrophobicContact CG-CE1 4.2Å; P199-F237 HydrophobicContact CG-CE2 4.09Å; P199-F237 HydrophobicContact CG-CZ 3.89Å; F233-F237 HydrophobicContact CE1-CD2 4.32Å; F233-F237 AromaticContact CE1-CE2 3.79Å; F233-F237 HydrophobicContact CE1-CE2 3.79Å; F233-F237 AromaticContact CZ-CE2 3.74Å; F233-F237 HydrophobicContact CZ-CE2 3.74Å; A234-F237 PolarHBondContact O-N 3.48Å; A234-F237 VanDerWaalsContact O-N 3.1Å; S235-F237 PolarHBondContact O-N 2.68Å; F237-G239 PolarHBondContact O-N 3.37Å; F237-V240 HydrophobicContact CB-CB 4.34Å; F237-V240 HydrophobicContact CB-CG1 4.3Å; F237-V240 HydrophobicContact CD1-CG2 4.44Å; F237-V240 VanDerWaalsContact O-CB 3.3Å; F237-V240 WeakPolarHBondContact O-CB 3.34Å; F237-V240 VanDerWaalsContact O-CG1 3.3Å; F237-V240 WeakPolarHBondContact O-CG1 3.46Å; F237-V240 PolarHBondContact O-N 3.01Å
238A90.9Very high91.9Very high23 Ų2366 Ų6619%0.1934%0.335CS..THydrogen-bonded Turntrans-56125.8173.700000110.7Q37 S235Q37-A238 WeakPolarHBondContact CG-O 3.47Å; S235-A238 WeakPolarHBondContact O-CB 3.34Å; S235-A238 PolarHBondContact O-N 3.48Å; S235-A238 VanDerWaalsContact O-N 3.13Å
239G90.9Very high91.9Very high8 Ų861.7 Ų61.78%0.08232%0.323CS..THydrogen-bonded Turntrans79.49-177.300000115.4F237 V241 P242 R243F237-G239 PolarHBondContact O-N 3.37Å; G239-V241 VanDerWaalsContact C-N 3.3Å; G239-V241 PolarHBondContact O-N 3.39Å; G239-P242 VanDerWaalsContact O-CD 3.25Å; G239-P242 WeakPolarHBondContact O-CD 3.29Å; G239-P242 VanDerWaalsContact O-CG 3.28Å; G239-P242 WeakPolarHBondContact O-CG 3.21Å; G239-R243 VanDerWaalsContact O-CB 3.31Å; G239-R243 WeakPolarHBondContact O-CB 3.39Å; G239-R243 PolarHBondContact O-N 3.06Å; G239-R243 VanDerWaalsContact O-N 3.07Å
240V94.1Very high91.7Very high38 Ų3852.4 Ų52.423%0.2329%0.29CS..Hα-helixtrans-57.1-42.8176.667.50000112.2A195 T198 F237 R243 V244A195-V240 HydrophobicContact CB-CG2 4.14Å; T198-V240 HydrophobicContact CG2-CB 4.02Å; F237-V240 HydrophobicContact CB-CB 4.34Å; F237-V240 HydrophobicContact CB-CG1 4.3Å; F237-V240 HydrophobicContact CD1-CG2 4.44Å; F237-V240 VanDerWaalsContact O-CB 3.3Å; F237-V240 WeakPolarHBondContact O-CB 3.34Å; F237-V240 VanDerWaalsContact O-CG1 3.3Å; F237-V240 WeakPolarHBondContact O-CG1 3.46Å; F237-V240 PolarHBondContact O-N 3.01Å; V240-R243 PolarHBondContact O-N 3.32Å; V240-V244 HydrophobicContact CG2-CG2 4.1Å; V240-V244 WeakPolarHBondContact O-CB 3.1Å; V240-V244 WeakPolarHBondContact O-CG2 3.31Å; V240-V244 PolarHBondContact O-N 2.89Å
241V94.6Very high91.5Very high96 Ų9646.8 Ų46.858%0.58227%0.271SS*.Hα-helixtrans-60.6-58.6-179.3176.50000111.8G239 R243 V244 L245G239-V241 VanDerWaalsContact C-N 3.3Å; G239-V241 PolarHBondContact O-N 3.39Å; V241-R243 PolarHBondContact O-N 3.05Å; V241-V244 PolarHBondContact O-N 2.7Å; V241-L245 HydrophobicContact CG1-CD1 3.88Å; V241-L245 HydrophobicContact CG1-CG 4.45Å; V241-L245 WeakPolarHBondContact O-CB 3.35Å; V241-L245 WeakPolarHBondContact O-CG 3.19Å; V241-L245 PolarHBondContact O-N 3.36Å
242P93.1Very high91.4Very high13 Ų1346.9 Ų46.98%0.08427%0.27CS..Hα-helixtrans-62.2-31.2178.322.6-32.7000112.5L29 K33 L36 G239 W246L29-P242 HydrophobicContact CB-CB 4.43Å; L29-P242 HydrophobicContact CD2-CB 4.42Å; K33-P242 HydrophobicContact CB-CB 4.1Å; K33-P242 HydrophobicContact CB-CG 3.87Å; K33-P242 HydrophobicContact CG-CG 4.47Å; L36-P242 HydrophobicContact CD1-CG 4.07Å; G239-P242 VanDerWaalsContact O-CD 3.25Å; G239-P242 WeakPolarHBondContact O-CD 3.29Å; G239-P242 VanDerWaalsContact O-CG 3.28Å; G239-P242 WeakPolarHBondContact O-CG 3.21Å; P242-W246 WeakPolarHBondContact O-CB 3.3Å; P242-W246 PolarHBondContact O-N 3.06Å
243R93.2Very high91.3Very high9 Ų947.3 Ų47.33%0.03427%0.266CS..Hα-helixtrans-65.6-49175.8-178177-179.3-173.10.9112.6K33 G194 T197 T198 G239 V240 V241 W246 L247K33-R243 HydrophobicContact CD-CB 4.03Å; K33-R243 HydrophobicContact CD-CG 4.44Å; K33-R243 HydrophobicContact CG-CB 4.41Å; G194-R243 PolarHBondContact O-NE 3.33Å; G194-R243 PolarHBondContact O-NH1 3.24Å; T197-R243 PolarHBondContact O-NH1 3.11Å; T197-R243 PolarHBondContact OG1-NH1 2.93Å; T197-R243 PolarHBondContact OG1-NH2 3.3Å; T198-R243 VanDerWaalsContact N-NH1 3.16Å; G239-R243 VanDerWaalsContact O-CB 3.31Å; G239-R243 WeakPolarHBondContact O-CB 3.39Å; G239-R243 PolarHBondContact O-N 3.06Å; G239-R243 VanDerWaalsContact O-N 3.07Å; V240-R243 PolarHBondContact O-N 3.32Å; V241-R243 PolarHBondContact O-N 3.05Å; R243-W246 PolarHBondContact O-N 3.04Å; R243-L247 HydrophobicContact CG-CD1 4Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 3.37Å
244V94.4Very high91.1Very high39 Ų3945.2 Ų45.224%0.23626%0.257CS..Hα-helixtrans-64.5-42.5179.3167.10000110.5A191 A195 V240 V241 L247 T248A191-V244 HydrophobicContact CB-CG1 4.07Å; A195-V244 HydrophobicContact CB-CG2 3.97Å; V240-V244 HydrophobicContact CG2-CG2 4.1Å; V240-V244 WeakPolarHBondContact O-CB 3.1Å; V240-V244 WeakPolarHBondContact O-CG2 3.31Å; V240-V244 PolarHBondContact O-N 2.89Å; V241-V244 PolarHBondContact O-N 2.7Å; V244-L247 PolarHBondContact O-N 3.14Å; V244-T248 WeakPolarHBondContact O-CB 3.15Å; V244-T248 PolarHBondContact O-N 2.91Å; V244-T248 PolarHBondContact O-OG1 3.28Å
245L94.2Very high90.6Very high76 Ų7642.7 Ų42.740%0.39823%0.232SC..Hα-helixtrans-61.2-46.3174.7-71.2174.7000111.5L29 V241 L247 T248 I249L29-L245 HydrophobicContact CD1-CB 4.2Å; V241-L245 HydrophobicContact CG1-CD1 3.88Å; V241-L245 HydrophobicContact CG1-CG 4.45Å; V241-L245 WeakPolarHBondContact O-CB 3.35Å; V241-L245 WeakPolarHBondContact O-CG 3.19Å; V241-L245 PolarHBondContact O-N 3.36Å; L245-L247 PolarHBondContact O-N 2.99Å; L245-T248 PolarHBondContact O-N 2.89Å; L245-I249 HydrophobicContact CB-CD1 4.31Å; L245-I249 HydrophobicContact CD2-CD1 4.42Å; L245-I249 VanDerWaalsContact O-CB 3.27Å; L245-I249 WeakPolarHBondContact O-CB 3.48Å; L245-I249 VanDerWaalsContact O-CG1 3.27Å; L245-I249 WeakPolarHBondContact O-CG1 3.18Å; L245-I249 PolarHBondContact O-N 3.49Å
246W93.1Very high90.3Very high74 Ų7444.1 Ų44.128%0.2825%0.249SC..Hα-helixtrans-59.7-45.6177.9-173.896.8000111.8V22 L26 P242 R243 G250V22-W246 HydrophobicContact CG1-CZ2 4.22Å; L26-W246 HydrophobicContact CB-CG 4.34Å; L26-W246 HydrophobicContact CD1-CG 4.45Å; P242-W246 WeakPolarHBondContact O-CB 3.3Å; P242-W246 PolarHBondContact O-N 3.06Å; R243-W246 PolarHBondContact O-N 3.04Å; W246-G250 WeakPolarHBondContact O-CA 3.31Å; W246-G250 PolarHBondContact O-N 2.88Å
247L90.9Very high90.1Very high32 Ų3244.1 Ų44.117%0.16825%0.25CC..Hα-helixtrans-66.8-41.6179.1-71.6165.2000112.3F154 G190 R243 V244 L245 G251F154-L247 HydrophobicContact CE2-CD1 4.18Å; F154-L247 HydrophobicContact CZ-CD2 4.19Å; G190-L247 WeakPolarHBondContact O-CD1 3.48Å; R243-L247 HydrophobicContact CG-CD1 4Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 3.37Å; V244-L247 PolarHBondContact O-N 3.14Å; L245-L247 PolarHBondContact O-N 2.99Å; L247-G251 PolarHBondContact O-N 3.49Å
248T90.9Very high89.5Confident42 Ų4241.4 Ų41.426%0.25824%0.238SC..Hα-helixtrans-69.8-56.2-178.5-52.70000110.6A191 V244 L245 G251 F252A191-T248 WeakPolarHBondContact CB-OG1 3.43Å; V244-T248 WeakPolarHBondContact O-CB 3.15Å; V244-T248 PolarHBondContact O-N 2.91Å; V244-T248 PolarHBondContact O-OG1 3.28Å; L245-T248 PolarHBondContact O-N 2.89Å; T248-G251 PolarHBondContact O-N 2.81Å; T248-F252 HydrophobicContact CG2-CE2 4.02Å; T248-F252 WeakPolarHBondContact O-CD2 3.29Å
249I91.7Very high89Confident69 Ų6943.8 Ų43.835%0.35425%0.247SC..Hα-helixtrans-66.9-41-178.4-60.1169.5000110L26 L245 G251 F252 V253L26-I249 HydrophobicContact CD1-CB 4.1Å; L26-I249 HydrophobicContact CD1-CG2 4.02Å; L26-I249 HydrophobicContact CD2-CB 4.38Å; L26-I249 HydrophobicContact CD2-CG2 3.78Å; L245-I249 HydrophobicContact CB-CD1 4.31Å; L245-I249 HydrophobicContact CD2-CD1 4.42Å; L245-I249 VanDerWaalsContact O-CB 3.27Å; L245-I249 WeakPolarHBondContact O-CB 3.48Å; L245-I249 VanDerWaalsContact O-CG1 3.27Å; L245-I249 WeakPolarHBondContact O-CG1 3.18Å; L245-I249 PolarHBondContact O-N 3.49Å; I249-G251 VanDerWaalsContact C-N 3.3Å; I249-G251 PolarHBondContact O-N 3.44Å; I249-F252 PolarHBondContact O-N 3.4Å; I249-V253 HydrophobicContact CG2-CG2 3.85Å; I249-V253 WeakPolarHBondContact O-CG2 3.47Å; I249-V253 PolarHBondContact O-N 2.88Å
250G88Confident88.7Confident6 Ų649.1 Ų49.16%0.06227%0.268CS..Hα-helixtrans-58.6-40.6-18000000112.4V22 L26 W246 F252 V253 F254V22-G250 WeakPolarHBondContact CG2-O 3.48Å; L26-G250 VanDerWaalsContact CD1-N 3.32Å; W246-G250 WeakPolarHBondContact O-CA 3.31Å; W246-G250 PolarHBondContact O-N 2.88Å; G250-F252 VanDerWaalsContact C-N 3.35Å; G250-F252 PolarHBondContact O-N 2.8Å; G250-V253 PolarHBondContact O-N 2.77Å; G250-F254 WeakPolarHBondContact O-CB 3.35Å; G250-F254 PolarHBondContact O-N 2.91Å
251G84.3Confident88.2Confident24 Ų2447.6 Ų47.625%0.24726%0.26CS..Hα-helixtrans-61.9-39174.600000113.5L247 T248 I249 L255L247-G251 PolarHBondContact O-N 3.49Å; T248-G251 PolarHBondContact O-N 2.81Å; I249-G251 VanDerWaalsContact C-N 3.3Å; I249-G251 PolarHBondContact O-N 3.44Å; G251-L255 PolarHBondContact O-N 3.48Å; G251-L255 VanDerWaalsContact O-N 3.17Å
252F86.5Confident87.3Confident99 Ų9943.7 Ų43.743%0.43424%0.236SC..Hα-helixtrans-73.1-44.4177.2-68.8-70.5000112.7T184 T248 I249 G250 F254 L255 G256T184-F252 HydrophobicContact CG2-CZ 4.24Å; T248-F252 HydrophobicContact CG2-CE2 4.02Å; T248-F252 WeakPolarHBondContact O-CD2 3.29Å; I249-F252 PolarHBondContact O-N 3.4Å; G250-F252 VanDerWaalsContact C-N 3.35Å; G250-F252 PolarHBondContact O-N 2.8Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-F254 PolarHBondContact O-N 2.81Å; F252-L255 PolarHBondContact O-N 3.35Å; F252-G256 PolarHBondContact O-N 3.07Å
253V88.6Confident86.7Confident40 Ų4046.2 Ų46.224%0.24225%0.254CS..Hα-helixtrans-61.7-43.7176174.30000109.7T21 V22 I249 G250 L255 G256 S257T21-V253 HydrophobicContact CG2-CG1 4.26Å; V22-V253 HydrophobicContact CG2-CB 4.02Å; V22-V253 HydrophobicContact CG2-CG1 3.82Å; I249-V253 HydrophobicContact CG2-CG2 3.85Å; I249-V253 WeakPolarHBondContact O-CG2 3.47Å; I249-V253 PolarHBondContact O-N 2.88Å; G250-V253 PolarHBondContact O-N 2.77Å; V253-L255 PolarHBondContact O-N 3.42Å; V253-G256 PolarHBondContact O-N 2.91Å; V253-S257 VanDerWaalsContact O-CB 3.29Å; V253-S257 WeakPolarHBondContact O-CB 3.22Å; V253-S257 PolarHBondContact O-N 3.38Å; V253-S257 PolarHBondContact O-OG 3.26Å
254F86.4Confident86.2Confident86 Ų8651.8 Ų51.838%0.37728%0.284SS..Hα-helixtrans-55.6-50.5176-174-92.4000111.4A18 V22 G250 F252 S257 Y258A18-F254 HydrophobicContact CB-CD2 3.69Å; A18-F254 HydrophobicContact CB-CE2 3.68Å; A18-F254 HydrophobicContact CB-CG 4.18Å; A18-F254 HydrophobicContact CB-CZ 4.15Å; A18-F254 WeakPolarHBondContact CB-O 3.41Å; V22-F254 HydrophobicContact CG2-CB 3.72Å; V22-F254 HydrophobicContact CG2-CD2 4.29Å; V22-F254 VanDerWaalsContact CG2-N 3.34Å; G250-F254 WeakPolarHBondContact O-CB 3.35Å; G250-F254 PolarHBondContact O-N 2.91Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-F254 PolarHBondContact O-N 2.81Å; F254-S257 PolarHBondContact O-N 3.21Å; F254-Y258 HydrophobicContact CE1-CD2 4.45Å; F254-Y258 VanDerWaalsContact O-CB 3.22Å; F254-Y258 WeakPolarHBondContact O-CB 3.47Å; F254-Y258 PolarHBondContact O-N 3.42Å
255L81.2Confident85.2Confident29 Ų2954 Ų5415%0.15229%0.294CS..Hα-helixtrans-61.5-48.4-179.1-175.471000111.3W180 A183 G251 F252 V253 S257 Y258 D259W180-L255 HydrophobicContact CB-CD2 4.03Å; A183-L255 HydrophobicContact CB-CD1 4.41Å; A183-L255 HydrophobicContact CB-CD2 3.8Å; G251-L255 PolarHBondContact O-N 3.48Å; G251-L255 VanDerWaalsContact O-N 3.17Å; F252-L255 PolarHBondContact O-N 3.35Å; V253-L255 PolarHBondContact O-N 3.42Å; L255-S257 PolarHBondContact O-N 2.79Å; L255-Y258 PolarHBondContact O-N 2.91Å; L255-D259 PolarHBondContact O-N 3.45Å
256G83.8Confident84Confident43 Ų4352.8 Ų52.844%0.44329%0.285SS..Hα-helixtrans-61.6-43.1178.900000112.7F252 V253 F260F252-G256 PolarHBondContact O-N 3.07Å; V253-G256 PolarHBondContact O-N 2.91Å; G256-F260 VanDerWaalsContact O-CB 3.25Å; G256-F260 WeakPolarHBondContact O-CB 3.41Å; G256-F260 PolarHBondContact O-N 3.04Å
257S86.3Confident82.5Confident15 Ų1554.7 Ų54.711%0.10531%0.307CS..Hα-helixtrans-69.7-35.6177.6-62.40000112.8T21 V253 F254 L255 A261T21-S257 VanDerWaalsContact CG2-OG 3.25Å; T21-S257 WeakPolarHBondContact CG2-OG 3.37Å; V253-S257 VanDerWaalsContact O-CB 3.29Å; V253-S257 WeakPolarHBondContact O-CB 3.22Å; V253-S257 PolarHBondContact O-N 3.38Å; V253-S257 PolarHBondContact O-OG 3.26Å; F254-S257 PolarHBondContact O-N 3.21Å; L255-S257 PolarHBondContact O-N 2.79Å; S257-A261 VanDerWaalsContact O-CB 3.29Å; S257-A261 WeakPolarHBondContact O-CB 3.39Å; S257-A261 PolarHBondContact O-N 2.8Å
258Y81.7Confident80.5Confident8 Ų859.1 Ų59.13%0.03134%0.341CS..Hα-helixtrans-65.1-50.1175.7-177.6-82.5000110.5S11 F254 L255 F260 A261 N262 F273S11-Y258 WeakPolarHBondContact CA-OH 3.38Å; S11-Y258 WeakPolarHBondContact CB-OH 3.14Å; S11-Y258 PolarHBondContact OG-OH 3.19Å; F254-Y258 HydrophobicContact CE1-CD2 4.45Å; F254-Y258 VanDerWaalsContact O-CB 3.22Å; F254-Y258 WeakPolarHBondContact O-CB 3.47Å; F254-Y258 PolarHBondContact O-N 3.42Å; L255-Y258 PolarHBondContact O-N 2.91Å; Y258-F260 VanDerWaalsContact C-N 3.31Å; Y258-F260 PolarHBondContact O-N 3.45Å; Y258-A261 PolarHBondContact O-N 2.93Å; Y258-N262 HydrophobicContact CE1-CB 4.33Å; Y258-N262 VanDerWaalsContact O-CB 3.23Å; Y258-N262 WeakPolarHBondContact O-CB 3.36Å; Y258-N262 PolarHBondContact O-N 3.42Å; Y258-F273 HydrophobicContact CE1-CB 3.77Å; Y258-F273 HydrophobicContact CE2-CB 4.46Å; Y258-F273 HydrophobicContact CE2-CD2 4.23Å
259D81.1Confident78.4Confident73 Ų7359.2 Ų59.239%0.3934%0.343SS..Hα-helixtrans-63.2-40.1179.3-75.1-19.1000110.9L255 S263L255-D259 PolarHBondContact O-N 3.45Å; D259-S263 VanDerWaalsContact O-CB 3.29Å; D259-S263 WeakPolarHBondContact O-CB 3.4Å; D259-S263 PolarHBondContact O-N 3.47Å; D259-S263 PolarHBondContact O-OG 3Å
260F84.7Confident76Confident120 Ų12065.7 Ų65.753%0.52637%0.369SS..Hα-helixtrans-60.8-52.1173.8178.6-101.9000112.1F17 G256 Y258 N262 S263 L264F17-F260 HydrophobicContact CE1-CD1 4.22Å; G256-F260 VanDerWaalsContact O-CB 3.25Å; G256-F260 WeakPolarHBondContact O-CB 3.41Å; G256-F260 PolarHBondContact O-N 3.04Å; Y258-F260 VanDerWaalsContact C-N 3.31Å; Y258-F260 PolarHBondContact O-N 3.45Å; F260-N262 VanDerWaalsContact C-N 3.33Å; F260-N262 PolarHBondContact O-N 2.93Å; F260-S263 PolarHBondContact O-N 2.84Å; F260-S263 PolarHBondContact O-OG 2.89Å; F260-L264 PolarHBondContact O-N 3.16Å
261A84Confident74Confident7 Ų767.7 Ų67.76%0.05838%0.38CS..Hα-helixtrans-62.2-40.9179.600000112.3F17 S257 Y258 S263 L264 L265F17-A261 HydrophobicContact CB-CB 4.2Å; F17-A261 HydrophobicContact CD1-CB 3.62Å; F17-A261 HydrophobicContact CE1-CB 4.29Å; F17-A261 HydrophobicContact CG-CB 4.08Å; S257-A261 VanDerWaalsContact O-CB 3.29Å; S257-A261 WeakPolarHBondContact O-CB 3.39Å; S257-A261 PolarHBondContact O-N 2.8Å; Y258-A261 PolarHBondContact O-N 2.93Å; A261-S263 VanDerWaalsContact C-N 3.35Å; A261-L264 PolarHBondContact O-N 3.08Å; A261-L265 WeakPolarHBondContact O-CB 3.5Å; A261-L265 WeakPolarHBondContact O-CG 3.37Å; A261-L265 PolarHBondContact O-N 3.27Å
262N76.4Confident72Confident13 Ų1367.9 Ų67.97%0.0738%0.377CS..Hα-helixtrans-65.8-40.3177.8-163.429.8000111S14 Y258 F260 L264 F266 V271S14-N262 WeakPolarHBondContact OG-CA 3.21Å; S14-N262 PolarHBondContact OG-N 2.81Å; Y258-N262 HydrophobicContact CE1-CB 4.33Å; Y258-N262 VanDerWaalsContact O-CB 3.23Å; Y258-N262 WeakPolarHBondContact O-CB 3.36Å; Y258-N262 PolarHBondContact O-N 3.42Å; F260-N262 VanDerWaalsContact C-N 3.33Å; F260-N262 PolarHBondContact O-N 2.93Å; N262-L264 VanDerWaalsContact C-N 3.34Å; N262-L264 PolarHBondContact O-N 2.95Å; N262-F266 PolarHBondContact O-N 3.05Å; N262-V271 PolarHBondContact ND2-O 3.42Å
263S79.8Confident69.8Low67 Ų6768.3 Ų68.347%0.46938%0.379SS..Hα-helixtrans-65.3-35.1176.174.60000113.2D259 F260 A261D259-S263 VanDerWaalsContact O-CB 3.29Å; D259-S263 WeakPolarHBondContact O-CB 3.4Å; D259-S263 PolarHBondContact O-N 3.47Å; D259-S263 PolarHBondContact O-OG 3Å; F260-S263 PolarHBondContact O-N 2.84Å; F260-S263 PolarHBondContact O-OG 2.89Å; A261-S263 VanDerWaalsContact C-N 3.35Å
264L82.2Confident67.6Low125 Ų12568.6 Ų68.665%0.65438%0.376SS*.Hα-helixtrans-73.8-42.8179-172.868.8000111.7F260 A261 N262F260-L264 PolarHBondContact O-N 3.16Å; A261-L264 PolarHBondContact O-N 3.08Å; N262-L264 VanDerWaalsContact C-N 3.34Å; N262-L264 PolarHBondContact O-N 2.95Å
265L73.1Confident65.3Low86 Ų8668.1 Ų68.145%0.4538%0.378SS..Hα-helixtrans-77.7-31.3-178.6-67.1172.5000112.4F13 A261F13-L265 HydrophobicContact CB-CD1 3.79Å; A261-L265 WeakPolarHBondContact O-CB 3.5Å; A261-L265 WeakPolarHBondContact O-CG 3.37Å; A261-L265 PolarHBondContact O-N 3.27Å
266F69Low63.2Low51 Ų5170 Ų7022%0.22440%0.397CS..  trans-139.778-177-58.6-86.7000112.2R6 A10 N262 S268 S269R6-F266 HydrophobicContact CB-CE1 3.9Å; R6-F266 HydrophobicContact CB-CZ 4.45Å; R6-F266 HydrophobicContact CG-CE1 4.28Å; A10-F266 HydrophobicContact CB-CD2 3.28Å; A10-F266 HydrophobicContact CB-CE2 3.08Å; A10-F266 HydrophobicContact CB-CG 4.2Å; A10-F266 HydrophobicContact CB-CZ 3.81Å; N262-F266 PolarHBondContact O-N 3.05Å; F266-S268 PolarHBondContact O-N 2.76Å; F266-S269 VanDerWaalsContact CB-OG 3.29Å; F266-S269 WeakPolarHBondContact CB-OG 3.19Å; F266-S269 PolarHBondContact O-N 2.64Å
267P61.4Low60.8Low113 Ų11374.9 Ų74.973%0.73440%0.403SS*.THydrogen-bonded Turntrans-57.7-23.6-178.4-23.832.6000114.4
268S50.1Low58.5Low126 Ų12677.7 Ų77.788%0.88142%0.416SS*.THydrogen-bonded Turntrans-106.1-0.4-170.2-50.20000115.1F266F266-S268 PolarHBondContact O-N 2.76Å
269S46Very low56.3Low44 Ų4478 Ų7831%0.30842%0.422SS..  trans-122.2102.5179.163.50000110.5F266 V271F266-S269 VanDerWaalsContact CB-OG 3.29Å; F266-S269 WeakPolarHBondContact CB-OG 3.19Å; F266-S269 PolarHBondContact O-N 2.64Å; S269-V271 PolarHBondContact O-N 3.03Å
270K41.8Very low54.2Low205 Ų20578.7 Ų78.789%0.89142%0.423SS*.  trans-67.955.1161.2-68.7-175.4179177.70110.1S272K270-S272 PolarHBondContact O-N 2.66Å
271V44.6Very low51.7Low48 Ų4875.7 Ų75.729%0.29142%0.421SS..  trans-92.190.3170.2178.40000104.8N262 S269N262-V271 PolarHBondContact ND2-O 3.42Å; S269-V271 PolarHBondContact O-N 3.03Å
272S43.8Very low49.4Very low28 Ų2882.3 Ų82.320%0.19644%0.444CS..  trans-65146.1169.3-172.10000107.3K270 Y274 D275K270-S272 PolarHBondContact O-N 2.66Å; S272-Y274 PolarHBondContact O-N 3.46Å; S272-D275 PolarHBondContact N-OD2 3.34Å; S272-D275 PolarHBondContact O-N 2.93Å
273F39.8Very low47.7Very low107 Ų10785.7 Ų85.747%0.46946%0.461SS..Hα-helixtrans-42.1-30.8171.1179.8-104000112.9Y258Y258-F273 HydrophobicContact CE1-CB 3.77Å; Y258-F273 HydrophobicContact CE2-CB 4.46Å; Y258-F273 HydrophobicContact CE2-CD2 4.23Å
274Y42.9Very low45.6Very low46 Ų4689.4 Ų89.418%0.1847%0.466CS..Hα-helixtrans-82.3-20.2-178.3-70.2-81.7000115.5S272 A276 Y277 I278S272-Y274 PolarHBondContact O-N 3.46Å; Y274-A276 VanDerWaalsContact C-N 3.28Å; Y274-A276 PolarHBondContact O-N 2.78Å; Y274-Y277 PolarHBondContact O-N 3.38Å; Y274-I278 VanDerWaalsContact O-CB 3.3Å; Y274-I278 WeakPolarHBondContact O-CB 3.23Å; Y274-I278 WeakPolarHBondContact O-CG1 3.29Å; Y274-I278 PolarHBondContact O-N 2.88Å
275D38.7Very low43.7Very low77 Ų7791.1 Ų91.141%0.41247%0.468SS..Hα-helixtrans-67.1-33.9178.8-70.4-46.2000111.4S272 G279S272-D275 PolarHBondContact N-OD2 3.34Å; S272-D275 PolarHBondContact O-N 2.93Å; D275-G279 PolarHBondContact O-N 3.08Å
276A35.4Very low42.5Very low68 Ų6890.4 Ų90.456%0.56246%0.464SS*.Hα-helixtrans-67.7-36.9172.900000112.5Y274Y274-A276 VanDerWaalsContact C-N 3.28Å; Y274-A276 PolarHBondContact O-N 2.78Å
277Y34.7Very low41.7Very low145 Ų14589.7 Ų89.757%0.56946%0.462SS*.Hα-helixtrans-82.3-34.1-178.8-158.4-96.5000113Y274Y274-Y277 PolarHBondContact O-N 3.38Å
278I38.1Very low41.2Very low74 Ų7486.4 Ų86.438%0.37944%0.441SS..Hα-helixtrans-76.9-28.7176.6-69.2-176.8000111.6Y274 E280 A281 R282Y274-I278 VanDerWaalsContact O-CB 3.3Å; Y274-I278 WeakPolarHBondContact O-CB 3.23Å; Y274-I278 WeakPolarHBondContact O-CG1 3.29Å; Y274-I278 PolarHBondContact O-N 2.88Å; I278-E280 VanDerWaalsContact C-N 3.31Å; I278-E280 PolarHBondContact O-N 3.44Å; I278-A281 PolarHBondContact O-N 2.86Å; I278-R282 HydrophobicContact CG2-CG 4.07Å; I278-R282 PolarHBondContact O-N 2.72Å
279G35.5Very low41.3Very low15 Ų1582.6 Ų82.616%0.15542%0.418CS..Hα-helixtrans-52.9-48.6172.400000111.8D275 A281 R282 I283D275-G279 PolarHBondContact O-N 3.08Å; G279-A281 PolarHBondContact O-N 3.14Å; G279-R282 PolarHBondContact O-N 2.72Å; G279-I283 WeakPolarHBondContact O-CD1 3.32Å; G279-I283 VanDerWaalsContact O-CG1 3.24Å; G279-I283 WeakPolarHBondContact O-CG1 3.24Å; G279-I283 PolarHBondContact O-N 3.39Å
280E35.3Very low41.8Very low88 Ų8882.8 Ų82.841%0.41142%0.415SS..Hα-helixtrans-59.9-46.5176.5-69-171.1170.600112.1I278 R282 I283 Y284I278-E280 VanDerWaalsContact C-N 3.31Å; I278-E280 PolarHBondContact O-N 3.44Å; E280-R282 VanDerWaalsContact C-N 3.33Å; E280-R282 PolarHBondContact O-N 2.95Å; E280-I283 PolarHBondContact O-N 3.04Å; E280-Y284 WeakPolarHBondContact O-CD2 3.34Å; E280-Y284 PolarHBondContact O-N 2.98Å; E280-Y284 VanDerWaalsContact O-N 3.14Å
281A32.1Very low42.5Very low57 Ų5775 Ų7547%0.47138%0.382SS..Hα-helixtrans-66.7-30.9179.700000113.8I278 G279 K285I278-A281 PolarHBondContact O-N 2.86Å; G279-A281 PolarHBondContact O-N 3.14Å; A281-K285 PolarHBondContact O-N 3.38Å
282R36Very low43.1Very low146 Ų14680.6 Ų80.655%0.55140%0.398SS*.Hα-helixtrans-73.2-41.7174.7-80.3-173.6-179.4-159.63.5111.9I278 G279 E280 Y284 K285 L286I278-R282 HydrophobicContact CG2-CG 4.07Å; I278-R282 PolarHBondContact O-N 2.72Å; G279-R282 PolarHBondContact O-N 2.72Å; E280-R282 VanDerWaalsContact C-N 3.33Å; E280-R282 PolarHBondContact O-N 2.95Å; R282-Y284 VanDerWaalsContact C-N 3.27Å; R282-Y284 PolarHBondContact O-N 3.08Å; R282-K285 PolarHBondContact O-N 3.37Å; R282-K285 VanDerWaalsContact O-N 3.08Å; R282-L286 PolarHBondContact O-N 3.29Å
283I40.4Very low44Very low84 Ų8485 Ų8543%0.43141%0.41SS..Hα-helixtrans-56.8-43.6174.5-68.6164.1000110G279 E280 K285 L286 H287G279-I283 WeakPolarHBondContact O-CD1 3.32Å; G279-I283 VanDerWaalsContact O-CG1 3.24Å; G279-I283 WeakPolarHBondContact O-CG1 3.24Å; G279-I283 PolarHBondContact O-N 3.39Å; E280-I283 PolarHBondContact O-N 3.04Å; I283-K285 PolarHBondContact O-N 3.4Å; I283-L286 PolarHBondContact O-N 3.37Å; I283-H287 WeakPolarHBondContact O-CB 3.46Å; I283-H287 PolarHBondContact O-N 3.35Å
284Y36.6Very low44.8Very low145 Ų14580 Ų8057%0.56939%0.388SS*.Hα-helixtrans-61.8-40.1174.5-85.3-74.2000113.7E280 R282 S288E280-Y284 WeakPolarHBondContact O-CD2 3.34Å; E280-Y284 PolarHBondContact O-N 2.98Å; E280-Y284 VanDerWaalsContact O-N 3.14Å; R282-Y284 VanDerWaalsContact C-N 3.27Å; R282-Y284 PolarHBondContact O-N 3.08Å; Y284-S288 WeakPolarHBondContact O-CB 3.21Å; Y284-S288 PolarHBondContact O-N 3.44Å; Y284-S288 PolarHBondContact O-OG 2.92Å
285K42.8Very low45.6Very low160 Ų16081.4 Ų81.470%0.69639%0.393SS*.Hα-helixtrans-69.2-38.1176.5-82-173.4177.8-178.40112.9A281 R282 I283 S288 A289A281-K285 PolarHBondContact O-N 3.38Å; R282-K285 PolarHBondContact O-N 3.37Å; R282-K285 VanDerWaalsContact O-N 3.08Å; I283-K285 PolarHBondContact O-N 3.4Å; K285-S288 WeakPolarHBondContact CA-OG 3.42Å; K285-S288 PolarHBondContact O-OG 3.15Å; K285-S288 VanDerWaalsContact O-OG 3.05Å; K285-A289 WeakPolarHBondContact O-CB 3.47Å; K285-A289 PolarHBondContact O-N 3.12Å
286L47.1Very low46.7Very low71 Ų7181.2 Ų81.237%0.37240%0.402SS..Hα-helixtrans-68.8-45.9177.1-15393000110.3R282 I283 S288 A289 L290 V396 I400R282-L286 PolarHBondContact O-N 3.29Å; I283-L286 PolarHBondContact O-N 3.37Å; L286-S288 PolarHBondContact O-N 3.4Å; L286-A289 WeakPolarHBondContact O-CB 3.31Å; L286-A289 PolarHBondContact O-N 3.3Å; L286-A289 VanDerWaalsContact O-N 3.13Å; L286-L290 WeakPolarHBondContact O-CB 3.18Å; L286-L290 PolarHBondContact O-N 3.06Å; L286-V396 HydrophobicContact CD2-CG1 4.06Å; L286-I400 HydrophobicContact CD1-CD1 4.31Å; L286-I400 HydrophobicContact CD2-CD1 4.18Å
287H52Low48Very low36 Ų3681 Ų8117%0.16739%0.392CS..Hα-helixtrans-58.8-47.2177.4-173.8-113.3000111.8I283 A289 L290 E291 R434I283-H287 WeakPolarHBondContact O-CB 3.46Å; I283-H287 PolarHBondContact O-N 3.35Å; H287-A289 VanDerWaalsContact C-N 3.32Å; H287-A289 PolarHBondContact O-N 2.74Å; H287-L290 PolarHBondContact O-N 2.94Å; H287-E291 IonicContact CE1-OE1 3.21Å; H287-E291 PolarHBondContact CE1-OE1 3.22Å; H287-E291 IonicContact ND1-OE1 2.65Å; H287-E291 IonicContact NE2-OE1 2.97Å; H287-E291 WeakPolarHBondContact O-CB 3.28Å; H287-E291 PolarHBondContact O-N 2.95Å; H287-R434 WeakPolarHBondContact CE1-CG 3.45Å; H287-R434 WeakPolarHBondContact NE2-CG 3.09Å
288S50.6Low49.1Very low44 Ų4482.3 Ų82.331%0.30840%0.402SS..Hα-helixtrans-68.6-26.4176.454.50000113.9Y284 K285 L286 R292Y284-S288 WeakPolarHBondContact O-CB 3.21Å; Y284-S288 PolarHBondContact O-N 3.44Å; Y284-S288 PolarHBondContact O-OG 2.92Å; K285-S288 WeakPolarHBondContact CA-OG 3.42Å; K285-S288 PolarHBondContact O-OG 3.15Å; K285-S288 VanDerWaalsContact O-OG 3.05Å; L286-S288 PolarHBondContact O-N 3.4Å; S288-R292 WeakPolarHBondContact O-CB 3.48Å; S288-R292 VanDerWaalsContact O-CG 3.28Å; S288-R292 WeakPolarHBondContact O-CG 3.47Å; S288-R292 PolarHBondContact O-N 3.34Å; S288-R292 PolarHBondContact O-NE 2.85Å
289A53.7Low49.5Very low47 Ų4780.2 Ų80.239%0.38839%0.392SS..Hα-helixtrans-73.2-42.6170.900000111.6K285 L286 H287 R292 W293K285-A289 WeakPolarHBondContact O-CB 3.47Å; K285-A289 PolarHBondContact O-N 3.12Å; L286-A289 WeakPolarHBondContact O-CB 3.31Å; L286-A289 PolarHBondContact O-N 3.3Å; L286-A289 VanDerWaalsContact O-N 3.13Å; H287-A289 VanDerWaalsContact C-N 3.32Å; H287-A289 PolarHBondContact O-N 2.74Å; A289-R292 PolarHBondContact O-N 3.3Å; A289-W293 WeakPolarHBondContact O-CB 3.44Å; A289-W293 PolarHBondContact O-N 3.13Å
290L55.3Low50.2Low47 Ų4780.7 Ų80.725%0.24639%0.391CS..Hα-helixtrans-66.1-44.7178.1-156.488.2000111.5L286 H287 R292 W293 L294 V433L286-L290 WeakPolarHBondContact O-CB 3.18Å; L286-L290 PolarHBondContact O-N 3.06Å; H287-L290 PolarHBondContact O-N 2.94Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 3.39Å; L290-W293 PolarHBondContact O-N 3.05Å; L290-L294 HydrophobicContact CD2-CD1 4.24Å; L290-L294 HydrophobicContact CG-CD1 4.27Å; L290-L294 WeakPolarHBondContact O-CB 3.49Å; L290-L294 VanDerWaalsContact O-CG 3.32Å; L290-L294 WeakPolarHBondContact O-CG 3.48Å; L290-L294 PolarHBondContact O-N 3.41Å; L290-V433 HydrophobicContact CD2-CG1 3.55Å
291E56Low50.9Low41 Ų4179.5 Ų79.519%0.19239%0.391CS..Hα-helixtrans-57.2-44.2173.3-82-166.2174.400111.6H287 L294 R295 R303H287-E291 IonicContact CE1-OE1 3.21Å; H287-E291 PolarHBondContact CE1-OE1 3.22Å; H287-E291 IonicContact ND1-OE1 2.65Å; H287-E291 IonicContact NE2-OE1 2.97Å; H287-E291 WeakPolarHBondContact O-CB 3.28Å; H287-E291 PolarHBondContact O-N 2.95Å; E291-L294 PolarHBondContact O-N 3.45Å; E291-R295 WeakPolarHBondContact O-CB 3.37Å; E291-R295 WeakPolarHBondContact O-CG 3.39Å; E291-R295 PolarHBondContact O-N 3.09Å; E291-R303 IonicContact OE2-NH2 3.3Å; E291-R303 PolarHBondContact OE2-NH2 3.29Å
292R58.5Low51.9Low166 Ų16684.8 Ų84.863%0.62641%0.406SS*.Hα-helixtrans-64.4-41.6177.8-80.8-177.9-70.1-177.20.4111.9S288 A289 L290 R295 A296S288-R292 WeakPolarHBondContact O-CB 3.48Å; S288-R292 VanDerWaalsContact O-CG 3.28Å; S288-R292 WeakPolarHBondContact O-CG 3.47Å; S288-R292 PolarHBondContact O-N 3.34Å; S288-R292 PolarHBondContact O-NE 2.85Å; A289-R292 PolarHBondContact O-N 3.3Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 3.39Å; R292-R295 PolarHBondContact O-N 2.86Å; R292-A296 WeakPolarHBondContact O-CB 3.43Å; R292-A296 PolarHBondContact O-N 2.78Å
293W61.4Low52.5Low121 Ų12185.7 Ų85.746%0.45841%0.409SS..Hα-helixtrans-64.6-46.2177.4-178.173.6000111.9A289 L290 R295 A296 D297A289-W293 WeakPolarHBondContact O-CB 3.44Å; A289-W293 PolarHBondContact O-N 3.13Å; L290-W293 PolarHBondContact O-N 3.05Å; W293-R295 VanDerWaalsContact C-N 3.33Å; W293-R295 PolarHBondContact O-N 2.67Å; W293-A296 PolarHBondContact O-N 2.96Å; W293-D297 PolarHBondContact O-N 2.83Å
294L56.8Low52.8Low3 Ų384.5 Ų84.52%0.01641%0.407CS..Hα-helixtrans-65.2-34.5177.4-70.5171000112.7L290 E291 L299 L300 I423 I427 V433L290-L294 HydrophobicContact CD2-CD1 4.24Å; L290-L294 HydrophobicContact CG-CD1 4.27Å; L290-L294 WeakPolarHBondContact O-CB 3.49Å; L290-L294 VanDerWaalsContact O-CG 3.32Å; L290-L294 WeakPolarHBondContact O-CG 3.48Å; L290-L294 PolarHBondContact O-N 3.41Å; E291-L294 PolarHBondContact O-N 3.45Å; L294-L299 HydrophobicContact CD2-CB 4.36Å; L294-L299 HydrophobicContact CD2-CD1 3.79Å; L294-L299 WeakPolarHBondContact O-CB 3.39Å; L294-L299 PolarHBondContact O-N 3.01Å; L294-L300 HydrophobicContact CB-CD1 3.49Å; L294-L300 VanDerWaalsContact CB-CD1 3.49Å; L294-L300 HydrophobicContact CB-CG 3.82Å; L294-L300 HydrophobicContact CD1-CD1 3.91Å; L294-L300 HydrophobicContact CD1-CG 4.39Å; L294-L300 HydrophobicContact CG-CD1 4.36Å; L294-L300 PolarHBondContact O-N 3.28Å; L294-I423 HydrophobicContact CD2-CG2 4.2Å; L294-I427 HydrophobicContact CD1-CD1 4.02Å; L294-V433 HydrophobicContact CD1-CG1 4.31Å; L294-V433 HydrophobicContact CD1-CG2 4.27Å
295R59.4Low53Low75 Ų7583.6 Ų83.628%0.28342%0.416SS..Hα-helixtrans-70.7-39.6173.7-74.7175.9-170.2-70.9-8112.6E291 R292 W293 D297 H298 L300 P301 R303E291-R295 WeakPolarHBondContact O-CB 3.37Å; E291-R295 WeakPolarHBondContact O-CG 3.39Å; E291-R295 PolarHBondContact O-N 3.09Å; R292-R295 PolarHBondContact O-N 2.86Å; W293-R295 VanDerWaalsContact C-N 3.33Å; W293-R295 PolarHBondContact O-N 2.67Å; R295-D297 PolarHBondContact O-N 3.43Å; R295-H298 PolarHBondContact O-N 2.92Å; R295-H298 VanDerWaalsContact O-N 3.08Å; R295-L300 HydrophobicContact CG-CB 3.96Å; R295-L300 HydrophobicContact CG-CD1 4.28Å; R295-P301 PolarHBondContact NH1-O 3.07Å; R295-R303 VanDerWaalsContact CZ-CG 3.46Å; R295-R303 VanDerWaalsContact NH1-N 3.19Å; R295-R303 VanDerWaalsContact NH2-CG 3.29Å
296A63.7Low52.9Low72 Ų7279.2 Ų79.260%0.59540%0.404SS*.Hα-helixtrans-62.3-30.8178.500000112.6R292 W293 H298R292-A296 WeakPolarHBondContact O-CB 3.43Å; R292-A296 PolarHBondContact O-N 2.78Å; W293-A296 PolarHBondContact O-N 2.96Å; A296-H298 VanDerWaalsContact C-N 3.33Å
297D61.8Low52.4Low65 Ų6580.7 Ų80.735%0.34841%0.407SS..THydrogen-bonded Turntrans-89.610.5176.3-85.83.7000113.7W293 R295 L299 K420W293-D297 PolarHBondContact O-N 2.83Å; R295-D297 PolarHBondContact O-N 3.43Å; D297-L299 HydrophobicContact CB-CD1 3.57Å; D297-L299 HydrophobicContact CB-CD2 4.49Å; D297-L299 HydrophobicContact CB-CG 3.66Å; D297-L299 PolarHBondContact O-N 2.77Å; D297-K420 IonicContact OD2-NZ 2.67Å; D297-K420 PolarHBondContact OD2-NZ 3.01Å
298H58.5Low52Low171 Ų17183.6 Ų83.679%0.79242%0.424SS*.THydrogen-bonded Turntrans56.226.3-175.7-57-71.4000114.8R295 A296R295-H298 PolarHBondContact O-N 2.92Å; R295-H298 VanDerWaalsContact O-N 3.08Å; A296-H298 VanDerWaalsContact C-N 3.33Å
299L46.9Very low52.1Low30 Ų3084.9 Ų84.916%0.15743%0.427CS..  trans-90.1-22.3-177.3-52.4165.8000112.6L294 D297 K420 Q424L294-L299 HydrophobicContact CD2-CB 4.36Å; L294-L299 HydrophobicContact CD2-CD1 3.79Å; L294-L299 WeakPolarHBondContact O-CB 3.39Å; L294-L299 PolarHBondContact O-N 3.01Å; D297-L299 HydrophobicContact CB-CD1 3.57Å; D297-L299 HydrophobicContact CB-CD2 4.49Å; D297-L299 HydrophobicContact CB-CG 3.66Å; D297-L299 PolarHBondContact O-N 2.77Å; L299-K420 HydrophobicContact CD1-CD 4.08Å; L299-K420 VanDerWaalsContact CD1-CE 3.45Å; L299-K420 HydrophobicContact CD1-CG 4.09Å; L299-K420 VanDerWaalsContact CD2-CE 3.41Å; L299-Q424 HydrophobicContact CD2-CG 4.09Å
300L48.2Very low51.5Low26 Ų2684.5 Ų84.514%0.13642%0.424CS..SBendtrans-106.4136.3169.6-77.6169.9000108.8L294 R295 I427L294-L300 HydrophobicContact CB-CD1 3.49Å; L294-L300 VanDerWaalsContact CB-CD1 3.49Å; L294-L300 HydrophobicContact CB-CG 3.82Å; L294-L300 HydrophobicContact CD1-CD1 3.91Å; L294-L300 HydrophobicContact CD1-CG 4.39Å; L294-L300 HydrophobicContact CG-CD1 4.36Å; L294-L300 PolarHBondContact O-N 3.28Å; R295-L300 HydrophobicContact CG-CB 3.96Å; R295-L300 HydrophobicContact CG-CD1 4.28Å; L300-I427 HydrophobicContact CD2-CD1 4.24Å; L300-I427 HydrophobicContact CD2-CG2 4Å
301P50.3Low51.2Low62 Ų6283.4 Ų83.440%0.40342%0.419SS..PPolyproline II helixtrans-55.8148.117124.8-33.1000109.9R295 E313R295-P301 PolarHBondContact NH1-O 3.07Å; P301-E313 VanDerWaalsContact CB-OE1 3.3Å; P301-E313 WeakPolarHBondContact CB-OE1 3.46Å; P301-E313 WeakPolarHBondContact CG-OE1 3.49Å
302E54.2Low51.1Low169 Ų16985.4 Ų85.479%0.7943%0.431SS*.PPolyproline II helixtrans-52.7148.4171.9-69.3-154.8156.900109.7P304E302-P304 WeakPolarHBondContact O-CD 3.23Å; E302-P304 VanDerWaalsContact O-N 3.13Å
303R47.9Very low50.9Low164 Ų16480.7 Ų80.762%0.61942%0.416SS*.PPolyproline II helixtrans-59.3127.6179.1-79.9-169.4177.4177.9-1106.9E291 R295 T305E291-R303 IonicContact OE2-NH2 3.3Å; E291-R303 PolarHBondContact OE2-NH2 3.29Å; R295-R303 VanDerWaalsContact CZ-CG 3.46Å; R295-R303 VanDerWaalsContact NH1-N 3.19Å; R295-R303 VanDerWaalsContact NH2-CG 3.29Å; R303-T305 PolarHBondContact O-N 3.5Å; R303-T305 VanDerWaalsContact O-N 3.08Å
304P47Very low50.2Low60 Ų6076.4 Ų76.439%0.3941%0.406SS..PPolyproline II helixtrans-54.1123.5176.519.6-30.1000108.2E302 T306 D309 A310E302-P304 WeakPolarHBondContact O-CD 3.23Å; E302-P304 VanDerWaalsContact O-N 3.13Å; P304-T306 VanDerWaalsContact C-N 3.29Å; P304-D309 HydrophobicContact CB-CB 3.61Å; P304-A310 HydrophobicContact CB-CB 3.72Å; P304-A310 HydrophobicContact CG-CB 3.54Å
305T41.6Very low50.2Low125 Ų12581.5 Ų81.577%0.76743%0.429SS*.SBendtrans-76.3-25.4-177.939.80000111.5R303 D309R303-T305 PolarHBondContact O-N 3.5Å; R303-T305 VanDerWaalsContact O-N 3.08Å; T305-D309 PolarHBondContact OG1-OD2 3.35Å; T305-D309 VanDerWaalsContact OG1-OD2 3.07Å
306T40.6Very low50.2Low69 Ų6984.1 Ų84.142%0.42344%0.442SS..SBendtrans-125.5159.617871.70000110.9P304 D308 D309 A310P304-T306 VanDerWaalsContact C-N 3.29Å; T306-D308 VanDerWaalsContact C-N 3.27Å; T306-D308 PolarHBondContact O-N 3.4Å; T306-D309 WeakPolarHBondContact CB-OD2 3.48Å; T306-D309 PolarHBondContact N-OD2 2.82Å; T306-D309 VanDerWaalsContact N-OD2 3.1Å; T306-D309 PolarHBondContact O-N 2.91Å; T306-D309 PolarHBondContact OG1-N 3.45Å; T306-D309 PolarHBondContact OG1-OD1 3.43Å; T306-D309 PolarHBondContact OG1-OD2 3.44Å; T306-A310 PolarHBondContact O-N 3.26Å
307F35.6Very low49.7Very low101 Ų10183.7 Ų83.744%0.44343%0.429SS..Hα-helixtrans-61-38.3176176.9-96.1000111.9A310 V311 A361F307-A310 WeakPolarHBondContact O-CB 3.35Å; F307-A310 PolarHBondContact O-N 3.37Å; F307-A310 VanDerWaalsContact O-N 3.16Å; F307-V311 HydrophobicContact CD1-CG2 4.07Å; F307-V311 HydrophobicContact CE1-CG2 3.63Å; F307-V311 HydrophobicContact CE2-CG2 4.35Å; F307-V311 HydrophobicContact CZ-CG2 3.8Å; F307-V311 WeakPolarHBondContact O-CG2 3.22Å; F307-V311 PolarHBondContact O-N 2.82Å; F307-A361 HydrophobicContact CZ-CB 4.38Å
308D44.3Very low49.1Very low98 Ų9883.8 Ų83.852%0.52443%0.428SS..Hα-helixtrans-64.8-40.5179.3-64.3-38.8000111.2T306 A310 V311 D312T306-D308 VanDerWaalsContact C-N 3.27Å; T306-D308 PolarHBondContact O-N 3.4Å; D308-A310 VanDerWaalsContact C-N 3.29Å; D308-A310 PolarHBondContact O-N 3.28Å; D308-V311 PolarHBondContact O-N 3.31Å; D308-D312 PolarHBondContact O-N 2.9Å
309D52.1Low49.1Very low71 Ų7181.8 Ų81.838%0.3842%0.419SS..Hα-helixtrans-58.5-42.5172.7-59.9-37.7000111.2P304 T305 T306 V311 D312 E313P304-D309 HydrophobicContact CB-CB 3.61Å; T305-D309 PolarHBondContact OG1-OD2 3.35Å; T305-D309 VanDerWaalsContact OG1-OD2 3.07Å; T306-D309 WeakPolarHBondContact CB-OD2 3.48Å; T306-D309 PolarHBondContact N-OD2 2.82Å; T306-D309 VanDerWaalsContact N-OD2 3.1Å; T306-D309 PolarHBondContact O-N 2.91Å; T306-D309 PolarHBondContact OG1-N 3.45Å; T306-D309 PolarHBondContact OG1-OD1 3.43Å; T306-D309 PolarHBondContact OG1-OD2 3.44Å; D309-V311 PolarHBondContact O-N 3.41Å; D309-D312 PolarHBondContact O-N 3.29Å; D309-E313 VanDerWaalsContact O-CB 3.26Å; D309-E313 WeakPolarHBondContact O-CB 3.36Å; D309-E313 PolarHBondContact O-N 2.99Å
310A41.7Very low49.5Very low38 Ų3887 Ų8731%0.31444%0.44SS..Hα-helixtrans-66.4-37.5179.900000112.3P304 T306 F307 D308 A314P304-A310 HydrophobicContact CB-CB 3.72Å; P304-A310 HydrophobicContact CG-CB 3.54Å; T306-A310 PolarHBondContact O-N 3.26Å; F307-A310 WeakPolarHBondContact O-CB 3.35Å; F307-A310 PolarHBondContact O-N 3.37Å; F307-A310 VanDerWaalsContact O-N 3.16Å; D308-A310 VanDerWaalsContact C-N 3.29Å; D308-A310 PolarHBondContact O-N 3.28Å; A310-A314 WeakPolarHBondContact O-CB 3.21Å; A310-A314 PolarHBondContact O-N 3.42Å; A310-A314 VanDerWaalsContact O-N 3.08Å
311V47.7Very low49.5Very low25 Ų2590.8 Ų90.815%0.15245%0.453CS..Hα-helixtrans-70.7-42.5177.4170.80000111.1F307 D308 D309 A314 K315F307-V311 HydrophobicContact CD1-CG2 4.07Å; F307-V311 HydrophobicContact CE1-CG2 3.63Å; F307-V311 HydrophobicContact CE2-CG2 4.35Å; F307-V311 HydrophobicContact CZ-CG2 3.8Å; F307-V311 WeakPolarHBondContact O-CG2 3.22Å; F307-V311 PolarHBondContact O-N 2.82Å; D308-V311 PolarHBondContact O-N 3.31Å; D309-V311 PolarHBondContact O-N 3.41Å; V311-A314 PolarHBondContact O-N 3.24Å; V311-K315 HydrophobicContact CG1-CD 4.44Å; V311-K315 WeakPolarHBondContact O-CG 3.22Å; V311-K315 PolarHBondContact O-N 3.1Å
312D55.4Low49.7Very low83 Ų8395 Ų9544%0.44447%0.465SS..Hα-helixtrans-69.2-38178.1-88.52.2000112.5D308 D309 A314 K315 K316D308-D312 PolarHBondContact O-N 2.9Å; D309-D312 PolarHBondContact O-N 3.29Å; D312-A314 VanDerWaalsContact C-N 3.32Å; D312-A314 PolarHBondContact O-N 3.1Å; D312-K315 PolarHBondContact O-N 3.49Å; D312-K315 IonicContact OD1-NZ 3.43Å; D312-K316 WeakPolarHBondContact O-CG 3.45Å; D312-K316 PolarHBondContact O-N 2.78Å
313E54.6Low49.7Very low67 Ų6793 Ų9331%0.31346%0.459SS..Hα-helixtrans-57.2-47.2169.6-171.295.9-135.600110.6P301 D309 K315 K316 L317P301-E313 VanDerWaalsContact CB-OE1 3.3Å; P301-E313 WeakPolarHBondContact CB-OE1 3.46Å; P301-E313 WeakPolarHBondContact CG-OE1 3.49Å; D309-E313 VanDerWaalsContact O-CB 3.26Å; D309-E313 WeakPolarHBondContact O-CB 3.36Å; D309-E313 PolarHBondContact O-N 2.99Å; E313-K315 PolarHBondContact O-N 2.95Å; E313-K316 PolarHBondContact O-N 3.49Å; E313-L317 HydrophobicContact CG-CD1 4.37Å; E313-L317 WeakPolarHBondContact O-CG 3.23Å; E313-L317 PolarHBondContact O-N 3.07Å
314A46.7Very low49.7Very low30 Ų3089.7 Ų89.725%0.24845%0.447CS..Hα-helixtrans-63.9-40.6179.400000112.6A310 V311 D312 L317 E318 V358A310-A314 WeakPolarHBondContact O-CB 3.21Å; A310-A314 PolarHBondContact O-N 3.42Å; A310-A314 VanDerWaalsContact O-N 3.08Å; V311-A314 PolarHBondContact O-N 3.24Å; D312-A314 VanDerWaalsContact C-N 3.32Å; D312-A314 PolarHBondContact O-N 3.1Å; A314-L317 PolarHBondContact O-N 3.36Å; A314-E318 PolarHBondContact O-N 3.44Å; A314-V358 HydrophobicContact CB-CG1 3.72Å
315K56Low49.4Very low111 Ų11196.6 Ų96.648%0.48347%0.471SS..Hα-helixtrans-63.5-43.7174.5-74.1173.8-173.4162.50112.4V311 D312 E313 L317 E318 E319V311-K315 HydrophobicContact CG1-CD 4.44Å; V311-K315 WeakPolarHBondContact O-CG 3.22Å; V311-K315 PolarHBondContact O-N 3.1Å; D312-K315 PolarHBondContact O-N 3.49Å; D312-K315 IonicContact OD1-NZ 3.43Å; E313-K315 PolarHBondContact O-N 2.95Å; K315-L317 VanDerWaalsContact C-N 3.32Å; K315-L317 PolarHBondContact O-N 3.08Å; K315-E318 WeakPolarHBondContact O-CB 3.27Å; K315-E318 PolarHBondContact O-N 3.33Å; K315-E318 VanDerWaalsContact O-N 3.16Å; K315-E319 PolarHBondContact O-N 3.26Å
316K60.2Low49.7Very low130 Ų13092.2 Ų92.257%0.56545%0.45SS*.Hα-helixtrans-60.4-41.6176.4-76.5173.4-177.1168.90111.8D312 E313 E318 K320D312-K316 WeakPolarHBondContact O-CG 3.45Å; D312-K316 PolarHBondContact O-N 2.78Å; E313-K316 PolarHBondContact O-N 3.49Å; K316-E318 VanDerWaalsContact C-N 3.34Å; K316-K320 WeakPolarHBondContact O-CG 3.22Å; K316-K320 PolarHBondContact O-N 2.95Å
317L52.3Low49.6Very low63 Ų6392.6 Ų92.633%0.3345%0.453SS..Hα-helixtrans-65.7-38175.6-70.1170.2000111.5E313 A314 K315 R321E313-L317 HydrophobicContact CG-CD1 4.37Å; E313-L317 WeakPolarHBondContact O-CG 3.23Å; E313-L317 PolarHBondContact O-N 3.07Å; A314-L317 PolarHBondContact O-N 3.36Å; K315-L317 VanDerWaalsContact C-N 3.32Å; K315-L317 PolarHBondContact O-N 3.08Å; L317-R321 WeakPolarHBondContact O-CB 3.1Å; L317-R321 PolarHBondContact O-N 3.28Å
318E50.1Low49.8Very low67 Ų6795.5 Ų95.531%0.31347%0.465SS..Hα-helixtrans-66-42.4175.8-161.9-171.6149.200112.7A314 K315 K316 R321 K322A314-E318 PolarHBondContact O-N 3.44Å; K315-E318 WeakPolarHBondContact O-CB 3.27Å; K315-E318 PolarHBondContact O-N 3.33Å; K315-E318 VanDerWaalsContact O-N 3.16Å; K316-E318 VanDerWaalsContact C-N 3.34Å; E318-R321 WeakPolarHBondContact O-CB 3.48Å; E318-R321 PolarHBondContact O-N 2.94Å; E318-K322 WeakPolarHBondContact O-CG 3.46Å; E318-K322 PolarHBondContact O-N 3.08Å; E318-K322 WeakPolarHBondContact OE1-CE 3.37Å; E318-K322 IonicContact OE1-NZ 2.73Å; E318-K322 PolarHBondContact OE1-NZ 2.94Å
319E57.4Low49.4Very low128 Ų12898.1 Ų98.160%0.59847%0.474SS*.Hα-helixtrans-63.7-44.8174.8-86.6-170.215100112.6K315 R321 K322 N323K315-E319 PolarHBondContact O-N 3.26Å; E319-R321 PolarHBondContact O-N 3.46Å; E319-K322 PolarHBondContact O-N 3.43Å; E319-N323 PolarHBondContact O-N 3.37Å
320K56.5Low48.6Very low139 Ų13997.7 Ų97.760%0.60447%0.474SS*.Hα-helixtrans-56.9-39.8174-77.6-180179.1179.50111.2K316 N323 W324K316-K320 WeakPolarHBondContact O-CG 3.22Å; K316-K320 PolarHBondContact O-N 2.95Å; K320-N323 PolarHBondContact O-N 2.8Å; K320-W324 PolarHBondContact O-N 2.87Å
321R48.2Very low48.2Very low107 Ų107104 Ų10440%0.40450%0.502SS..Hα-helixtrans-68.6-39.4177.7-168.3175.4176.8-155.2-7.2112.8L317 E318 E319 N323 W324L317-R321 WeakPolarHBondContact O-CB 3.1Å; L317-R321 PolarHBondContact O-N 3.28Å; E318-R321 WeakPolarHBondContact O-CB 3.48Å; E318-R321 PolarHBondContact O-N 2.94Å; E319-R321 PolarHBondContact O-N 3.46Å; R321-N323 VanDerWaalsContact C-N 3.31Å; R321-N323 PolarHBondContact O-N 3.5Å; R321-W324 PolarHBondContact O-N 2.91Å
322K52.8Low47.4Very low150 Ų150109.6 Ų109.665%0.65253%0.531SS*.Hα-helixtrans-64.9-34.1175.1-76.2173-175.7163.10112.6E318 E319 W324E318-K322 WeakPolarHBondContact O-CG 3.46Å; E318-K322 PolarHBondContact O-N 3.08Å; E318-K322 WeakPolarHBondContact OE1-CE 3.37Å; E318-K322 IonicContact OE1-NZ 2.73Å; E318-K322 PolarHBondContact OE1-NZ 2.94Å; E319-K322 PolarHBondContact O-N 3.43Å; K322-W324 VanDerWaalsContact C-N 3.33Å
323N55.4Low46.4Very low127 Ų127110 Ų11068%0.67953%0.527SS*.THydrogen-bonded Turntrans-85.30.5-179.4-71.8-24.7000114.3E319 K320 R321 K325E319-N323 PolarHBondContact O-N 3.37Å; K320-N323 PolarHBondContact O-N 2.8Å; R321-N323 VanDerWaalsContact C-N 3.31Å; R321-N323 PolarHBondContact O-N 3.5Å; N323-K325 PolarHBondContact O-N 2.65Å
324W47.1Very low45.4Very low95 Ų95111 Ų11136%0.3653%0.534SS..  trans-7493.5-178.7-170.257000112.4K320 R321 K322 G326 I335 R337K320-W324 PolarHBondContact O-N 2.87Å; R321-W324 PolarHBondContact O-N 2.91Å; K322-W324 VanDerWaalsContact C-N 3.33Å; W324-G326 PolarHBondContact O-N 3.05Å; W324-I335 HydrophobicContact CH2-CG2 4.22Å; W324-I335 HydrophobicContact CZ2-CG2 4.44Å; W324-R337 HydrophobicContact CZ3-CG 4.09Å
325K41.7Very low45.1Very low205 Ų205112.8 Ų112.889%0.89154%0.539SS*.  trans-90.683176.1-67.8-175.3-179179.90111.6N323N323-K325 PolarHBondContact O-N 2.65Å
326G47.5Very low44.2Very low33 Ų33111.2 Ų111.234%0.3453%0.533SS..  trans108.4153.5143.500000118.6W324W324-G326 PolarHBondContact O-N 3.05Å
327V38.5Very low43.2Very low77 Ų77110.7 Ų110.747%0.46753%0.527SS..  trans-53.3122.9176.2177.50000110.2
328K40Very low42.7Very low162 Ų162110.1 Ų110.170%0.70453%0.527SS*.  trans-94.6110158.5-85-174.7176.6179.50107.5
329Q35Very low42.2Very low153 Ų153110.7 Ų110.772%0.71554%0.543SS*.EExtended strand (participates in β ladder)trans-92.3115.3166.3-170.9174.81.100106.5
330T36.2Very low41.2Very low61 Ų61109.1 Ų109.137%0.37454%0.536SS..EExtended strand (participates in β ladder)trans-109.1159.5164.547.30000107.4N332 Y333T330-N332 PolarHBondContact O-N 2.97Å; T330-Y333 HydrophobicContact CG2-CE2 4.43Å; T330-Y333 PolarHBondContact N-O 2.8Å; T330-Y333 PolarHBondContact O-N 3.22Å; T330-Y333 WeakPolarHBondContact OG1-CD2 3.35Å; T330-Y333 WeakPolarHBondContact OG1-CE2 3.39Å
331D32.9Very low40.3Very low170 Ų170105.5 Ų105.591%0.90953%0.532SS*.THydrogen-bonded Turntrans-57.4-13.3-174.6-68.6-35.1000114.3
332N32Very low39.9Very low143 Ų143107 Ų10777%0.76555%0.548SS*.THydrogen-bonded Turntrans-115.3-9.7-174.7-68.7-26.4000115.4T330T330-N332 PolarHBondContact O-N 2.97Å
333Y32.7Very low39.2Very low92 Ų92108.9 Ų108.936%0.36156%0.556SS.*EExtended strand (participates in β ladder)trans-164.4152.4-179.234.3-94.3000115T330 E418T330-Y333 HydrophobicContact CG2-CE2 4.43Å; T330-Y333 PolarHBondContact N-O 2.8Å; T330-Y333 PolarHBondContact O-N 3.22Å; T330-Y333 WeakPolarHBondContact OG1-CD2 3.35Å; T330-Y333 WeakPolarHBondContact OG1-CE2 3.39Å; Y333-E418 PolarHBondContact OH-OE1 3.36Å
334I33.9Very low38.1Very low88 Ų88111.4 Ų111.445%0.45156%0.557SS.*EExtended strand (participates in β ladder)trans-119.3117.6176.5-56.9174.9000109.1H336I334-H336 WeakPolarHBondContact CG2-NE2 3.32Å
335I39.8Very low37.2Very low68 Ų68117.1 Ų117.135%0.34958%0.584SS.*  trans-91.6108.3172.2-57.2176.6000108.3W324W324-I335 HydrophobicContact CH2-CG2 4.22Å; W324-I335 HydrophobicContact CZ2-CG2 4.44Å
336H38.1Very low36.6Very low77 Ų77110.1 Ų110.136%0.35657%0.569SS.*  trans-84.3147.2179.7-78.5-69.4000112.5I334I334-H336 WeakPolarHBondContact CG2-NE2 3.32Å
337R39.8Very low35.6Very low119 Ų119120.4 Ų120.445%0.44960%0.598SS.*  trans-60.3144.7163.1-81.8-175.5174.3-177.9-2.4109.4W324 A339 E340 A341W324-R337 HydrophobicContact CZ3-CG 4.09Å; R337-A339 PolarHBondContact O-N 2.68Å; R337-A339 VanDerWaalsContact O-N 3.1Å; R337-E340 HydrophobicContact CB-CB 4.47Å; R337-E340 HydrophobicContact CB-CG 4.38Å; R337-E340 PolarHBondContact O-N 3.05Å; R337-A341 PolarHBondContact O-N 3.24Å
338P40.5Very low35Very low51 Ų51124.1 Ų124.133%0.33162%0.615SS.*Hα-helixtrans-53.2-34.9176.6-31.439.6000115.2E340 Y353P338-E340 VanDerWaalsContact C-N 3.35Å; P338-Y353 HydrophobicContact CB-CE1 4.14Å; P338-Y353 HydrophobicContact CB-CE2 3.53Å; P338-Y353 WeakPolarHBondContact CB-OH 3.42Å; P338-Y353 HydrophobicContact CG-CE1 4.15Å; P338-Y353 HydrophobicContact CG-CE2 4.27Å; P338-Y353 VanDerWaalsContact CG-CZ 3.49Å; P338-Y353 WeakPolarHBondContact CG-OH 3.25Å
339A39.8Very low34.5Very low79 Ų79127.3 Ų127.365%0.65362%0.624SS**Hα-helixtrans-72.9-24.4178.100000113.3R337R337-A339 PolarHBondContact O-N 2.68Å; R337-A339 VanDerWaalsContact O-N 3.1Å
340E36.2Very low34.1Very low96 Ų96128.5 Ų128.545%0.44962%0.622SS.*Hα-helixtrans-88.1-25.8-179.7-74.6172.9159.100112.9R337 P338 N342 K343R337-E340 HydrophobicContact CB-CB 4.47Å; R337-E340 HydrophobicContact CB-CG 4.38Å; R337-E340 PolarHBondContact O-N 3.05Å; P338-E340 VanDerWaalsContact C-N 3.35Å; E340-N342 PolarHBondContact O-N 3.08Å; E340-K343 PolarHBondContact O-N 2.62Å; E340-K343 VanDerWaalsContact O-N 3.14Å
341A38.5Very low33.7Very low63 Ų63129 Ų12952%0.52163%0.632SS.*Hα-helixtrans-59.5-27.5174.700000112.9R337 K343R337-A341 PolarHBondContact O-N 3.24Å; A341-K343 VanDerWaalsContact C-N 3.26Å; A341-K343 PolarHBondContact O-N 3.13Å
342N38.6Very low33.5Very low138 Ų138123.9 Ų123.974%0.73860%0.602SS**THydrogen-bonded Turntrans-68-18178-103.3-18.2000114.3E340E340-N342 PolarHBondContact O-N 3.08Å
343K38.9Very low33.4Very low189 Ų189121.7 Ų121.782%0.82258%0.584SS**THydrogen-bonded Turntrans-87.1-21.3-176.3-80.8-176.5176.1178.60114.2E340 A341 K345E340-K343 PolarHBondContact O-N 2.62Å; E340-K343 VanDerWaalsContact O-N 3.14Å; A341-K343 VanDerWaalsContact C-N 3.26Å; A341-K343 PolarHBondContact O-N 3.13Å; K343-K345 PolarHBondContact O-N 2.8Å
344R32.2Very low33.1Very low181 Ų181124.8 Ų124.868%0.68361%0.606SS**  trans-98.984.3-179.5-73.5-173.5175.1-171.2-1111G346R344-G346 PolarHBondContact O-N 3.04Å
345K28.7Very low32.8Very low215 Ų215126.9 Ų126.994%0.93561%0.614SS**  trans-69.894.4171.8-76.8-178.2176.6177.20110.3K343K343-K345 PolarHBondContact O-N 2.8Å
346G28.1Very low32.2Very low57 Ų57128.2 Ų128.259%0.58863%0.63SS**SBendtrans175.592.8170.300000112.1R344R344-G346 PolarHBondContact O-N 3.04Å
347R27.4Very low32Very low249 Ų249129.2 Ų129.294%0.9464%0.637SS**SBendtrans65.847.2169.9-50.5-174.2-165.7-175.14.7118.1
348L26.3Very low31.7Very low156 Ų156127.8 Ų127.882%0.81764%0.642SS**  trans-132.1116.6167.2-86.3151.8000109.7
349Y29.8Very low31.4Very low228 Ų228129.4 Ų129.489%0.89466%0.659SS**  trans-74143.7176.3-75.9-88.6000110.4
350R26.7Very low31.2Very low179 Ų179133.5 Ų133.568%0.67566%0.662SS**  trans-73.4125.8-163.4-169.2-174.8-154.1-176.46.3113Q352R350-Q352 HydrophobicContact CG-CB 4.23Å; R350-Q352 HydrophobicContact CG-CG 4.09Å; R350-Q352 VanDerWaalsContact NH1-CD 3.3Å
351A26.3Very low31Very low70 Ų70131.6 Ų131.658%0.57966%0.663SS**  trans-90.6113.7153.300000107.8
352Q29.5Very low30.8Very low63 Ų63137.7 Ų137.729%0.29468%0.678SS.*  trans-104130.8-177.4-131-179.7-31.500111R350R350-Q352 HydrophobicContact CG-CB 4.23Å; R350-Q352 HydrophobicContact CG-CG 4.09Å; R350-Q352 VanDerWaalsContact NH1-CD 3.3Å
353Y29.2Very low30.5Very low98 Ų98134.1 Ų134.138%0.38467%0.667SS.*  trans-70.6140.8-169.6-80.1-89.4000115.1P338 E355P338-Y353 HydrophobicContact CB-CE1 4.14Å; P338-Y353 HydrophobicContact CB-CE2 3.53Å; P338-Y353 WeakPolarHBondContact CB-OH 3.42Å; P338-Y353 HydrophobicContact CG-CE1 4.15Å; P338-Y353 HydrophobicContact CG-CE2 4.27Å; P338-Y353 VanDerWaalsContact CG-CZ 3.49Å; P338-Y353 WeakPolarHBondContact CG-OH 3.25Å; Y353-E355 VanDerWaalsContact C-N 3.27Å; Y353-E355 HydrophobicContact CD1-CG 4.13Å; Y353-E355 HydrophobicContact CG-CG 4.19Å; Y353-E355 PolarHBondContact O-N 3.37Å
354L26.3Very low30.2Very low157 Ų157128.8 Ų128.882%0.82265%0.652SS**  trans-79.178.3146.3-100.1141.5000107.7
355E27.1Very low30.1Very low131 Ų131124.8 Ų124.861%0.61265%0.65SS**  trans-102.2106.8166.2-89.6171.6179.400106.6Y353Y353-E355 VanDerWaalsContact C-N 3.27Å; Y353-E355 HydrophobicContact CD1-CG 4.13Å; Y353-E355 HydrophobicContact CG-CG 4.19Å; Y353-E355 PolarHBondContact O-N 3.37Å
356S28.2Very low30.2Very low97 Ų97119.9 Ų119.968%0.67865%0.649SS**SBendtrans162.2-14.8135.7500000119.1
357D34.5Very low30.2Very low98 Ų98123.2 Ų123.252%0.52465%0.653SS.*SBendtrans-117.6-0.8-164.4-74.5-33.7000119A359 K360D357-A359 VanDerWaalsContact C-N 3.31Å; D357-A359 PolarHBondContact O-N 2.67Å; D357-K360 PolarHBondContact O-N 3.48Å
358V33.6Very low30.2Very low88 Ų88116 Ų11653%0.53363%0.632SS.*G310 helixtrans-69.5-28.2179.9179.40000112.7A314 K360A314-V358 HydrophobicContact CB-CG1 3.72Å; V358-K360 PolarHBondContact O-N 3.16Å
359A34.2Very low30.4Very low85 Ų85117.2 Ų117.270%0.70264%0.64SS**G310 helixtrans-76.20.2-179.300000114.8D357D357-A359 VanDerWaalsContact C-N 3.31Å; D357-A359 PolarHBondContact O-N 2.67Å
360K35.2Very low30.5Very low165 Ų165110.5 Ų110.572%0.71762%0.619SS**G310 helixtrans-121.11.7-175.5-67.7-179.6-176.8169.50114.7D357 V358 K362D357-K360 PolarHBondContact O-N 3.48Å; V358-K360 PolarHBondContact O-N 3.16Å; K360-K362 PolarHBondContact O-N 3.28Å; K360-K362 VanDerWaalsContact O-N 3.17Å
361A31.3Very low30.6Very low56 Ų56108.7 Ų108.746%0.46363%0.631SS.*  trans-69.9109.7179.200000111F307F307-A361 HydrophobicContact CZ-CB 4.38Å
362K34.2Very low30.6Very low192 Ų192109.1 Ų109.184%0.83563%0.63SS**PPolyproline II helixtrans-89.3136.5165.7-79.1-177.9175.3-178.90109.1K360K360-K362 PolarHBondContact O-N 3.28Å; K360-K362 VanDerWaalsContact O-N 3.17Å
363A31.8Very low30.4Very low62 Ų62114 Ų11451%0.51265%0.65SS.*PPolyproline II helixtrans-57.3135.5173.500000110.6
364P34.1Very low30.3Very low77 Ų77116.5 Ų116.550%0.566%0.663SS.*PPolyproline II helixtrans-64.6145.616926.9-30.6000109.7A366P364-A366 PolarHBondContact O-N 2.92Å
365P30.4Very low30.5Very low98 Ų98112.7 Ų112.764%0.63665%0.654SS**PPolyproline II helixtrans-61.8138.6-178.123.3-30.9000111.5D367 F374P365-D367 PolarHBondContact O-N 3.23Å; P365-F374 HydrophobicContact CG-CZ 4.44Å
366A29.2Very low30.8Very low111 Ų111112.4 Ų112.492%0.91766%0.663SS**SBendtrans-68.888.4179.600000110.9P364P364-A366 PolarHBondContact O-N 2.92Å
367D29Very low30.7Very low127 Ų127112.2 Ų112.268%0.67967%0.668SS**  trans-153.1140.2158.1-159.7-0.5000110.1P365P365-D367 PolarHBondContact O-N 3.23Å
368I27.9Very low30.3Very low98 Ų98117.8 Ų117.850%0.50369%0.688SS.*  trans85.8107159.3-30.5178000118.3N370I368-N370 HydrophobicContact CB-CB 4.24Å; I368-N370 HydrophobicContact CG2-CB 3.3Å; I368-N370 PolarHBondContact O-N 3Å
369N30.6Very low30Very low181 Ų181118.8 Ų118.897%0.96870%0.698SS**SBendtrans-56.452155.1-76.5-49.4000113.5
370N31.3Very low29.6Very low87 Ų87124.4 Ų124.447%0.46571%0.71SS.*  trans-147.1108.8-174.1-169.4-8.4000110.8I368 S372I368-N370 HydrophobicContact CB-CB 4.24Å; I368-N370 HydrophobicContact CG2-CB 3.3Å; I368-N370 PolarHBondContact O-N 3Å; N370-S372 PolarHBondContact ND2-OG 3.17Å; N370-S372 PolarHBondContact O-N 3.49Å; N370-S372 PolarHBondContact OD1-OG 2.93Å
371P28Very low29.2Very low141 Ų141120.2 Ų120.292%0.91671%0.714SS**THydrogen-bonded Turntrans-75.733.6-173.727.3-27.9000114.3
372S27.3Very low28.9Very low80 Ų80121.6 Ų121.656%0.55973%0.733SS**THydrogen-bonded Turntrans-123.16.8-170.263.70000116.8N370N370-S372 PolarHBondContact ND2-OG 3.17Å; N370-S372 PolarHBondContact O-N 3.49Å; N370-S372 PolarHBondContact OD1-OG 2.93Å
373K25.7Very low28.4Very low164 Ų164118.2 Ų118.271%0.71372%0.723SS**  trans-141.6142.4175.6-70.8-178178.9176.30110.2
374F27.1Very low28.1Very low151 Ų151125 Ų12566%0.66274%0.741SS**  trans114.188.2172.4-64-71.4000116.6P365P365-F374 HydrophobicContact CG-CZ 4.44Å
375A30.8Very low27.8Very low77 Ų77130.6 Ų130.664%0.63675%0.752SS**  trans-74.9169.3138.900000109
376P32.6Very low27.6Very low125 Ų125136.6 Ų136.681%0.81276%0.762SS**  -159.3156.789.538.5-17.3000119.2
377A26.4Very low27.6Very low93 Ų93137.7 Ų137.777%0.76975%0.753SS**  trans54.9112.313200000124.1
378K25.7Very low27.6Very low216 Ų216138.2 Ų138.294%0.93976%0.755SS**  trans38.5114.5135.8-69.1-174.1177-176.50120.7
379S28.2Very low27.9Very low109 Ų109136.7 Ų136.776%0.76275%0.745SS**  trans-139.5141.6139.868.20000111.1
380E24.8Very low28Very low202 Ų202131.6 Ų131.694%0.94472%0.722SS**  trans-84.1140.8-175.5-63.9170.5149.100111
381G26.6Very low28.2Very low78 Ų78133.6 Ų133.680%0.80473%0.729SS**  trans125.683.3167.900000115.2
382G24.7Very low28.5Very low84 Ų84129 Ų12987%0.86670%0.698SS**  trans-80.5133-175.600000115.4
383I25.3Very low29Very low122 Ų122127.4 Ų127.463%0.62668%0.683SS**  trans-104.1126.3165-62.9177.3000109.4
384K24.2Very low29.6Very low204 Ų204126.9 Ų126.989%0.88768%0.681SS**  trans-76.4127.9176.2-77.7176172.4175.30111.6
385W28.4Very low30.2Very low194 Ų194125 Ų12574%0.73567%0.674SS**  trans-95.9136.2169.1-64.392.7000111
386R25Very low30.6Very low225 Ų225122.7 Ų122.785%0.84965%0.652SS**  trans-110.5133.2170.4-70.1-171.6-154.8-160.85109.3
387N29.7Very low31.1Very low134 Ų134118.6 Ų118.672%0.71762%0.623SS**PPolyproline II helixtrans-62.8143-175.1-66.3-15.6000114.3
388L30.5Very low32.1Very low137 Ų137118.1 Ų118.172%0.71761%0.608SS**PPolyproline II helixtrans-73.2157175.8-87.4102.1000113.4
389H32.5Very low33Very low66 Ų66109.6 Ų109.631%0.30657%0.574SS.*PPolyproline II helixtrans-80.6139.6-171.1-164.8-102.9000113.4S3 E391 T392S3-H389 VanDerWaalsContact CB-NE2 3.31Å; S3-H389 WeakPolarHBondContact CB-NE2 3.41Å; H389-E391 VanDerWaalsContact C-N 3.33Å; H389-E391 IonicContact CE1-OE2 2.71Å; H389-E391 PolarHBondContact CE1-OE2 2.71Å; H389-E391 VanDerWaalsContact CE1-OE2 3.29Å; H389-E391 WeakPolarHBondContact ND1-CB 3.26Å; H389-E391 PolarHBondContact ND1-N 3.19Å; H389-E391 IonicContact ND1-OE2 2.88Å; H389-E391 PolarHBondContact O-N 3.08Å; H389-T392 PolarHBondContact O-N 2.84Å; H389-T392 PolarHBondContact O-OG1 3.32Å
390P33.7Very low33.7Very low74 Ų74107.8 Ų107.848%0.48156%0.555SS.*Hα-helixtrans-66-20.6-178.4-21.632000116.6T392P390-T392 VanDerWaalsContact C-N 3.33Å
391E34.7Very low34.7Very low129 Ų129105.5 Ų105.560%0.60354%0.538SS*.Hα-helixtrans-74-24-179.7-69.8-179.4161.700113.2H389 D393 K394 Q395H389-E391 VanDerWaalsContact C-N 3.33Å; H389-E391 IonicContact CE1-OE2 2.71Å; H389-E391 PolarHBondContact CE1-OE2 2.71Å; H389-E391 VanDerWaalsContact CE1-OE2 3.29Å; H389-E391 WeakPolarHBondContact ND1-CB 3.26Å; H389-E391 PolarHBondContact ND1-N 3.19Å; H389-E391 IonicContact ND1-OE2 2.88Å; H389-E391 PolarHBondContact O-N 3.08Å; E391-D393 VanDerWaalsContact C-N 3.32Å; E391-D393 PolarHBondContact O-N 3.05Å; E391-K394 PolarHBondContact O-N 2.95Å; E391-Q395 PolarHBondContact O-N 3.46Å
392T35.2Very low35.5Very low46 Ų46103.6 Ų103.628%0.28251%0.512SS..Hα-helixtrans-66.9-34.1-179.6-37.50000111.5H389 P390 K394 V396H389-T392 PolarHBondContact O-N 2.84Å; H389-T392 PolarHBondContact O-OG1 3.32Å; P390-T392 VanDerWaalsContact C-N 3.33Å; T392-K394 PolarHBondContact O-N 3.36Å; T392-V396 HydrophobicContact CG2-CG2 4.49Å; T392-V396 WeakPolarHBondContact O-CB 3.45Å; T392-V396 WeakPolarHBondContact O-CG2 3.14Å; T392-V396 PolarHBondContact O-N 3.32Å
393D37.3Very low36.2Very low45 Ų45103.4 Ų103.424%0.24149%0.49CS..Hα-helixtrans-65.6-36.3178.9-96.97.2000112.9E391 I397E391-D393 VanDerWaalsContact C-N 3.32Å; E391-D393 PolarHBondContact O-N 3.05Å; D393-I397 WeakPolarHBondContact O-CB 3.26Å; D393-I397 WeakPolarHBondContact O-CD1 3.42Å; D393-I397 WeakPolarHBondContact O-CG1 3.39Å; D393-I397 PolarHBondContact O-N 3.34Å; D393-I397 VanDerWaalsContact O-N 3.08Å
394K38.5Very low37.1Very low153 Ų153100.8 Ų100.867%0.66548%0.48SS*.Hα-helixtrans-74.2-42-178.1-147.9-179.4-177.6-171.10110.8E391 T392 I397 D398E391-K394 PolarHBondContact O-N 2.95Å; T392-K394 PolarHBondContact O-N 3.36Å; K394-I397 PolarHBondContact O-N 3.02Å; K394-D398 WeakPolarHBondContact O-CB 3.42Å; K394-D398 VanDerWaalsContact O-CG 3.3Å; K394-D398 PolarHBondContact O-N 2.99Å
395Q39.2Very low38Very low112 Ų11297.4 Ų97.452%0.52347%0.472SS..Hα-helixtrans-63.2-44.5174.7-71.3177.2-17.700111.6E391 I397 D398 V399E391-Q395 PolarHBondContact O-N 3.46Å; Q395-I397 PolarHBondContact O-N 3.47Å; Q395-D398 PolarHBondContact O-N 3.38Å; Q395-V399 WeakPolarHBondContact O-CB 3.26Å; Q395-V399 VanDerWaalsContact O-CG2 3.23Å; Q395-V399 WeakPolarHBondContact O-CG2 3.13Å; Q395-V399 PolarHBondContact O-N 2.94Å
396V40.3Very low38.6Very low29 Ų2997.1 Ų97.118%0.17647%0.471CS..Hα-helixtrans-63.9-40.9177.5171.30000111.7L286 T392 I400L286-V396 HydrophobicContact CD2-CG1 4.06Å; T392-V396 HydrophobicContact CG2-CG2 4.49Å; T392-V396 WeakPolarHBondContact O-CB 3.45Å; T392-V396 WeakPolarHBondContact O-CG2 3.14Å; T392-V396 PolarHBondContact O-N 3.32Å; V396-I400 HydrophobicContact CG1-CD1 3.89Å; V396-I400 WeakPolarHBondContact O-CB 3.34Å; V396-I400 VanDerWaalsContact O-CG1 3.23Å; V396-I400 WeakPolarHBondContact O-CG1 3.2Å; V396-I400 PolarHBondContact O-N 3.2Å
397I43.4Very low39.2Very low39 Ų3995.6 Ų95.620%0.247%0.465CS..Hα-helixtrans-68.7-39.1176.7-69.6169.4000111.7D393 K394 Q395 I400 R401D393-I397 WeakPolarHBondContact O-CB 3.26Å; D393-I397 WeakPolarHBondContact O-CD1 3.42Å; D393-I397 WeakPolarHBondContact O-CG1 3.39Å; D393-I397 PolarHBondContact O-N 3.34Å; D393-I397 VanDerWaalsContact O-N 3.08Å; K394-I397 PolarHBondContact O-N 3.02Å; Q395-I397 PolarHBondContact O-N 3.47Å; I397-I400 PolarHBondContact O-N 3.4Å; I397-R401 HydrophobicContact CG2-CG 4.42Å; I397-R401 WeakPolarHBondContact O-CB 3.05Å; I397-R401 WeakPolarHBondContact O-CG 3.28Å; I397-R401 PolarHBondContact O-N 2.98Å
398D46.9Very low39.7Very low82 Ų82100.3 Ų100.344%0.43947%0.473SS..Hα-helixtrans-71.5-33.3177.9-72.6-21000111.6K394 Q395 R401 S402K394-D398 WeakPolarHBondContact O-CB 3.42Å; K394-D398 VanDerWaalsContact O-CG 3.3Å; K394-D398 PolarHBondContact O-N 2.99Å; Q395-D398 PolarHBondContact O-N 3.38Å; D398-R401 PolarHBondContact O-N 3.4Å; D398-S402 WeakPolarHBondContact O-CB 3.3Å; D398-S402 PolarHBondContact O-N 3.28Å; D398-S402 PolarHBondContact O-OG 3.5Å
399V43.2Very low40.1Very low38 Ų38100.3 Ų100.323%0.2347%0.474CS..Hα-helixtrans-64.8-49.3168.8170.60000110Q395 R401 S402 L403 E440Q395-V399 WeakPolarHBondContact O-CB 3.26Å; Q395-V399 VanDerWaalsContact O-CG2 3.23Å; Q395-V399 WeakPolarHBondContact O-CG2 3.13Å; Q395-V399 PolarHBondContact O-N 2.94Å; V399-R401 VanDerWaalsContact C-N 3.32Å; V399-R401 PolarHBondContact O-N 3.37Å; V399-S402 PolarHBondContact O-N 2.98Å; V399-S402 PolarHBondContact O-OG 3.29Å; V399-L403 HydrophobicContact CG1-CD1 3.77Å; V399-L403 HydrophobicContact CG1-CG 4.27Å; V399-L403 VanDerWaalsContact O-CB 3.26Å; V399-L403 WeakPolarHBondContact O-CB 3.47Å; V399-L403 WeakPolarHBondContact O-CG 3.36Å; V399-L403 PolarHBondContact O-N 3.18Å; V399-E440 HydrophobicContact CG2-CG 3.95Å
400I43.6Very low40.6Very low70 Ų70103.2 Ų103.236%0.35950%0.501SS..Hα-helixtrans-61.4-38.8177.1-68.8167.7000111.6L286 V396 I397 T404L286-I400 HydrophobicContact CD1-CD1 4.31Å; L286-I400 HydrophobicContact CD2-CD1 4.18Å; V396-I400 HydrophobicContact CG1-CD1 3.89Å; V396-I400 WeakPolarHBondContact O-CB 3.34Å; V396-I400 VanDerWaalsContact O-CG1 3.23Å; V396-I400 WeakPolarHBondContact O-CG1 3.2Å; V396-I400 PolarHBondContact O-N 3.2Å; I397-I400 PolarHBondContact O-N 3.4Å; I400-T404 WeakPolarHBondContact O-CB 3.34Å; I400-T404 PolarHBondContact O-N 2.79Å; I400-T404 PolarHBondContact O-OG1 2.91Å
401R45.1Very low41.5Very low155 Ų155105.8 Ų105.859%0.58551%0.511SS*.Hα-helixtrans-70.4-43.1175.9-78.5177.3178.3176.1-2.6112.5I397 D398 V399 L403 T404 D405I397-R401 HydrophobicContact CG2-CG 4.42Å; I397-R401 WeakPolarHBondContact O-CB 3.05Å; I397-R401 WeakPolarHBondContact O-CG 3.28Å; I397-R401 PolarHBondContact O-N 2.98Å; D398-R401 PolarHBondContact O-N 3.4Å; V399-R401 VanDerWaalsContact C-N 3.32Å; V399-R401 PolarHBondContact O-N 3.37Å; R401-L403 VanDerWaalsContact C-N 3.28Å; R401-L403 PolarHBondContact O-N 3.49Å; R401-T404 CarbonylContact O-C 3.5Å; R401-T404 WeakPolarHBondContact O-CA 3.22Å; R401-T404 PolarHBondContact O-N 2.93Å; R401-D405 WeakPolarHBondContact O-CB 3.38Å; R401-D405 PolarHBondContact O-N 3.33Å
402S44.6Very low41.6Very low38 Ų38102.1 Ų102.127%0.26649%0.492SS..Hα-helixtrans-65.5-35.5175.878.90000111.4D398 V399 T404 R406D398-S402 WeakPolarHBondContact O-CB 3.3Å; D398-S402 PolarHBondContact O-N 3.28Å; D398-S402 PolarHBondContact O-OG 3.5Å; V399-S402 PolarHBondContact O-N 2.98Å; V399-S402 PolarHBondContact O-OG 3.29Å; S402-T404 VanDerWaalsContact C-N 3.34Å; S402-R406 WeakPolarHBondContact O-CB 3.38Å; S402-R406 WeakPolarHBondContact O-CG 3.46Å; S402-R406 PolarHBondContact O-N 3.27Å
403L38.3Very low42Very low79 Ų79106.2 Ų106.241%0.41451%0.512SS..Hα-helixtrans-65.8-36.4168.3-69.8171.4000110.4V399 R401 R412V399-L403 HydrophobicContact CG1-CD1 3.77Å; V399-L403 HydrophobicContact CG1-CG 4.27Å; V399-L403 VanDerWaalsContact O-CB 3.26Å; V399-L403 WeakPolarHBondContact O-CB 3.47Å; V399-L403 WeakPolarHBondContact O-CG 3.36Å; V399-L403 PolarHBondContact O-N 3.18Å; R401-L403 VanDerWaalsContact C-N 3.28Å; R401-L403 PolarHBondContact O-N 3.49Å; L403-R412 PolarHBondContact O-NH1 3.26Å; L403-R412 PolarHBondContact O-NH2 3.43Å
404T43.9Very low42.5Very low67 Ų67110.7 Ų110.741%0.41153%0.531SS..Hα-helixtrans-75.1-33.4178.1-53.10000113I400 R401 S402 R407I400-T404 WeakPolarHBondContact O-CB 3.34Å; I400-T404 PolarHBondContact O-N 2.79Å; I400-T404 PolarHBondContact O-OG1 2.91Å; R401-T404 CarbonylContact O-C 3.5Å; R401-T404 WeakPolarHBondContact O-CA 3.22Å; R401-T404 PolarHBondContact O-N 2.93Å; S402-T404 VanDerWaalsContact C-N 3.34Å; T404-R407 WeakPolarHBondContact O-CB 3.42Å
405D44.7Very low42.7Very low134 Ų134109 Ų10972%0.71753%0.529SS*.Hα-helixtrans-84.7-26.2-177.2-74.4-23.4000113.3R401 R407R401-D405 WeakPolarHBondContact O-CB 3.38Å; R401-D405 PolarHBondContact O-N 3.33Å; D405-R407 PolarHBondContact O-N 3.37Å
406R40.9Very low43Very low187 Ų187107.2 Ų107.271%0.70652%0.522SS*.  trans-73.325.5172.1-69.4179.7-154.4-167.59113.4S402 R408 R412S402-R406 WeakPolarHBondContact O-CB 3.38Å; S402-R406 WeakPolarHBondContact O-CG 3.46Å; S402-R406 PolarHBondContact O-N 3.27Å; R406-R408 PolarHBondContact O-N 2.8Å; R406-R408 VanDerWaalsContact O-N 3.08Å; R406-R412 WeakPolarHBondContact O-CD 3.22Å; R406-R412 PolarHBondContact O-NH1 3.45Å; R406-R412 VanDerWaalsContact O-NH1 3.13Å
407R37.7Very low43.5Very low194 Ų194109.9 Ų109.973%0.73254%0.535SS*.THydrogen-bonded Turntrans-76.211.6-172.6-138.8170.5-173.8-178.41.1114.8T404 D405T404-R407 WeakPolarHBondContact O-CB 3.42Å; D405-R407 PolarHBondContact O-N 3.37Å
408R40.5Very low43.8Very low232 Ų232111.8 Ų111.888%0.87554%0.543SS*.THydrogen-bonded Turntrans-114.9-6.2-164.1-131.1175.3179.4175.9-1.6115.8R406R406-R408 PolarHBondContact O-N 2.8Å; R406-R408 VanDerWaalsContact O-N 3.08Å
409N38.6Very low44.1Very low138 Ų138109.2 Ų109.274%0.73854%0.536SS*.SBendtrans-130.2132.8-179.1-79.7-11.9000112.9N411N409-N411 PolarHBondContact O-N 2.83Å
410S41.2Very low44.5Very low127 Ų127110 Ų11089%0.88854%0.536SS*.SBendtrans-71.620.7-159.5-44.30000117.8
411N52.8Low45Very low128 Ų128113.6 Ų113.668%0.68455%0.545SS*.SBendtrans-106.418.5178.7-136.625.7000112.8N409N409-N411 PolarHBondContact O-N 2.83Å
412R38.3Very low45.4Very low51 Ų51109.8 Ų109.819%0.19254%0.536CS..Hα-helixtrans-103.1-22.6-159.6-162.7-175142.1143.34.2113.7L403 R406 E414 L416L403-R412 PolarHBondContact O-NH1 3.26Å; L403-R412 PolarHBondContact O-NH2 3.43Å; R406-R412 WeakPolarHBondContact O-CD 3.22Å; R406-R412 PolarHBondContact O-NH1 3.45Å; R406-R412 VanDerWaalsContact O-NH1 3.13Å; R412-E414 VanDerWaalsContact C-N 3.3Å; R412-L416 HydrophobicContact CG-CD1 4.03Å; R412-L416 HydrophobicContact CG-CG 4.38Å; R412-L416 WeakPolarHBondContact O-CB 3.36Å; R412-L416 WeakPolarHBondContact O-CG 3.37Å; R412-L416 PolarHBondContact O-N 3.29Å
413D43Very low45.9Very low132 Ų132109 Ų10971%0.70653%0.529SS*.Hα-helixtrans-66.6-36177.7-69.3-25000110.6L417D413-L417 WeakPolarHBondContact O-CA 3.15Å; D413-L417 WeakPolarHBondContact O-CB 2.96Å; D413-L417 PolarHBondContact O-N 3.42Å
414E47Very low46.5Very low140 Ų140108.7 Ų108.765%0.65453%0.525SS*.Hα-helixtrans-64-49175.9-99.8-179.5162.800113.1R412 L417 E418R412-E414 VanDerWaalsContact C-N 3.3Å; E414-L417 PolarHBondContact O-N 2.96Å; E414-E418 VanDerWaalsContact O-CB 3.26Å; E414-E418 WeakPolarHBondContact O-CB 3.48Å; E414-E418 PolarHBondContact O-N 2.76Å
415I43Very low46.8Very low118 Ų118109.7 Ų109.761%0.60553%0.528SS*.Hα-helixtrans-68.5-39-178.3-61.5173.2000111.1E418 G419I415-E418 PolarHBondContact O-N 2.87Å; I415-G419 PolarHBondContact O-N 2.85Å
416L45.8Very low47Very low74 Ų74104.4 Ų104.439%0.38750%0.503SS..Hα-helixtrans-68.8-37.5174.4-77.6173.2000111.7R412 K420R412-L416 HydrophobicContact CG-CD1 4.03Å; R412-L416 HydrophobicContact CG-CG 4.38Å; R412-L416 WeakPolarHBondContact O-CB 3.36Å; R412-L416 WeakPolarHBondContact O-CG 3.37Å; R412-L416 PolarHBondContact O-N 3.29Å; L416-K420 WeakPolarHBondContact O-CB 3.32Å; L416-K420 PolarHBondContact O-N 2.87Å
417L51.9Low47.5Very low84 Ų8496.9 Ų96.944%0.4448%0.476SS..Hα-helixtrans-68.7-36.3176.2-165.776.3000111D413 E414 R421D413-L417 WeakPolarHBondContact O-CA 3.15Å; D413-L417 WeakPolarHBondContact O-CB 2.96Å; D413-L417 PolarHBondContact O-N 3.42Å; E414-L417 PolarHBondContact O-N 2.96Å; L417-R421 WeakPolarHBondContact O-CB 3.33Å; L417-R421 WeakPolarHBondContact O-CG 3.48Å; L417-R421 PolarHBondContact O-N 3.37Å
418E48.6Very low48Very low79 Ų7990.3 Ų90.337%0.36946%0.46SS..Hα-helixtrans-72.3-44.1176.4-166.6161.7-174.800111.6Y333 E414 I415 K420 R421 L422Y333-E418 PolarHBondContact OH-OE1 3.36Å; E414-E418 VanDerWaalsContact O-CB 3.26Å; E414-E418 WeakPolarHBondContact O-CB 3.48Å; E414-E418 PolarHBondContact O-N 2.76Å; I415-E418 PolarHBondContact O-N 2.87Å; E418-K420 VanDerWaalsContact C-N 3.33Å; E418-K420 PolarHBondContact O-N 2.86Å; E418-R421 PolarHBondContact O-N 2.78Å; E418-L422 WeakPolarHBondContact O-CB 3.34Å; E418-L422 WeakPolarHBondContact O-CG 3.21Å; E418-L422 PolarHBondContact O-N 2.86Å
419G52.4Low48.2Very low29 Ų2981.5 Ų81.530%0.29943%0.434SS..Hα-helixtrans-61.5-40.1170.700000112.6I415 L422 I423I415-G419 PolarHBondContact O-N 2.85Å; G419-L422 PolarHBondContact O-N 3.49Å; G419-I423 VanDerWaalsContact O-CG1 3.28Å; G419-I423 WeakPolarHBondContact O-CG1 3.22Å; G419-I423 PolarHBondContact O-N 3.16Å
420K52.7Low48.3Very low54 Ų5477.3 Ų77.324%0.23542%0.423CS..Hα-helixtrans-64.4-43.5174.2-178.6166.5167.7160.90111.2D297 L299 L416 E418 I423 Q424D297-K420 IonicContact OD2-NZ 2.67Å; D297-K420 PolarHBondContact OD2-NZ 3.01Å; L299-K420 HydrophobicContact CD1-CD 4.08Å; L299-K420 VanDerWaalsContact CD1-CE 3.45Å; L299-K420 HydrophobicContact CD1-CG 4.09Å; L299-K420 VanDerWaalsContact CD2-CE 3.41Å; L416-K420 WeakPolarHBondContact O-CB 3.32Å; L416-K420 PolarHBondContact O-N 2.87Å; E418-K420 VanDerWaalsContact C-N 3.33Å; E418-K420 PolarHBondContact O-N 2.86Å; K420-I423 PolarHBondContact O-N 3.44Å; K420-Q424 WeakPolarHBondContact O-CB 3.26Å; K420-Q424 VanDerWaalsContact O-CG 3.22Å; K420-Q424 WeakPolarHBondContact O-CG 2.8Å; K420-Q424 PolarHBondContact O-N 3.06Å; K420-Q424 PolarHBondContact O-OE1 3.27Å
421R53.9Low48.4Very low146 Ų14673.7 Ų73.755%0.55140%0.396SS*.Hα-helixtrans-60.9-43.1173-79.4172.7-177.5172.12.6112L417 E418 Q424 D425L417-R421 WeakPolarHBondContact O-CB 3.33Å; L417-R421 WeakPolarHBondContact O-CG 3.48Å; L417-R421 PolarHBondContact O-N 3.37Å; E418-R421 PolarHBondContact O-N 2.78Å; R421-Q424 CarbonylContact O-C 3.59Å; R421-Q424 WeakPolarHBondContact O-CB 3.34Å; R421-Q424 PolarHBondContact O-N 3.04Å; R421-D425 WeakPolarHBondContact O-CB 3.47Å; R421-D425 VanDerWaalsContact O-CG 3.32Å; R421-D425 PolarHBondContact O-N 2.73Å
422L53Low48.2Very low75 Ų7569.8 Ų69.839%0.39338%0.375SS..Hα-helixtrans-66-40.6178.3-74.4168.2000112.6E418 G419 D425 A426E418-L422 WeakPolarHBondContact O-CB 3.34Å; E418-L422 WeakPolarHBondContact O-CG 3.21Å; E418-L422 PolarHBondContact O-N 2.86Å; G419-L422 PolarHBondContact O-N 3.49Å; L422-D425 PolarHBondContact O-N 2.96Å; L422-A426 VanDerWaalsContact O-CB 3.32Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 2.94Å
423I54.8Low48.8Very low22 Ų2268.1 Ų68.111%0.11337%0.37CS..Hα-helixtrans-66.5-41.8173.9-66.9166000110.2L294 G419 K420 A426 I427 L436 F438L294-I423 HydrophobicContact CD2-CG2 4.2Å; G419-I423 VanDerWaalsContact O-CG1 3.28Å; G419-I423 WeakPolarHBondContact O-CG1 3.22Å; G419-I423 PolarHBondContact O-N 3.16Å; K420-I423 PolarHBondContact O-N 3.44Å; I423-A426 PolarHBondContact O-N 3.06Å; I423-I427 HydrophobicContact CG2-CD1 3.58Å; I423-I427 HydrophobicContact CG2-CG1 4.27Å; I423-I427 WeakPolarHBondContact O-CB 3.48Å; I423-I427 WeakPolarHBondContact O-CG1 3.46Å; I423-I427 PolarHBondContact O-N 3.1Å; I423-L436 HydrophobicContact CG2-CD1 4.08Å; I423-F438 HydrophobicContact CD1-CE1 3.85Å; I423-F438 HydrophobicContact CD1-CZ 3.68Å; I423-F438 HydrophobicContact CG1-CE1 4.04Å; I423-F438 HydrophobicContact CG1-CZ 3.97Å
424Q52.3Low48.8Very low72 Ų7270 Ų7034%0.33637%0.367SS..Hα-helixtrans-62.8-41.3174.1-76.2177.2-59.800112.2L299 K420 R421 S428L299-Q424 HydrophobicContact CD2-CG 4.09Å; K420-Q424 WeakPolarHBondContact O-CB 3.26Å; K420-Q424 VanDerWaalsContact O-CG 3.22Å; K420-Q424 WeakPolarHBondContact O-CG 2.8Å; K420-Q424 PolarHBondContact O-N 3.06Å; K420-Q424 PolarHBondContact O-OE1 3.27Å; R421-Q424 CarbonylContact O-C 3.59Å; R421-Q424 WeakPolarHBondContact O-CB 3.34Å; R421-Q424 PolarHBondContact O-N 3.04Å; Q424-S428 WeakPolarHBondContact O-CB 3.5Å; Q424-S428 PolarHBondContact O-N 3.24Å; Q424-S428 PolarHBondContact O-OG 2.94Å
425D50Low48.5Very low87 Ų8766.9 Ų66.947%0.46536%0.355SS..Hα-helixtrans-66.3-41.7176.7-79.1-6.3000110.4R421 L422 S428 C429R421-D425 WeakPolarHBondContact O-CB 3.47Å; R421-D425 VanDerWaalsContact O-CG 3.32Å; R421-D425 PolarHBondContact O-N 2.73Å; L422-D425 PolarHBondContact O-N 2.96Å; D425-S428 WeakPolarHBondContact CA-OG 3.21Å; D425-S428 PolarHBondContact O-OG 3.29Å; D425-C429 VanDerWaalsContact O-CB 3.31Å; D425-C429 WeakPolarHBondContact O-CB 2.98Å; D425-C429 PolarHBondContact O-N 3.2Å; D425-C429 PolarHBondContact O-SG 3.31Å
426A48.7Very low48.6Very low23 Ų2363.2 Ų63.219%0.1934%0.337CS..Hα-helixtrans-64.7-47.3175.400000112.2L422 I423 C429 G430 V431 L436L422-A426 VanDerWaalsContact O-CB 3.32Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 2.94Å; I423-A426 PolarHBondContact O-N 3.06Å; A426-C429 CarbonylContact O-C 3.54Å; A426-C429 WeakPolarHBondContact O-CB 3.47Å; A426-C429 PolarHBondContact O-N 3.07Å; A426-G430 PolarHBondContact O-N 3.19Å; A426-V431 HydrophobicContact CB-CB 4.2Å; A426-V431 HydrophobicContact CB-CG2 4.22Å; A426-V431 VanDerWaalsContact O-CB 3.22Å; A426-V431 WeakPolarHBondContact O-CB 3.4Å; A426-V431 VanDerWaalsContact O-CG2 3.28Å; A426-V431 WeakPolarHBondContact O-CG2 3.35Å; A426-V431 PolarHBondContact O-N 2.6Å; A426-L436 HydrophobicContact CB-CD2 3.97Å
427I51Low48.4Very low29 Ų2964.4 Ų64.415%0.14934%0.343CS..Hα-helixtrans-64.8-42.5177.7-68.1169.4000110.5L294 L300 I423 C429 G430 V433L294-I427 HydrophobicContact CD1-CD1 4.02Å; L300-I427 HydrophobicContact CD2-CD1 4.24Å; L300-I427 HydrophobicContact CD2-CG2 4Å; I423-I427 HydrophobicContact CG2-CD1 3.58Å; I423-I427 HydrophobicContact CG2-CG1 4.27Å; I423-I427 WeakPolarHBondContact O-CB 3.48Å; I423-I427 WeakPolarHBondContact O-CG1 3.46Å; I423-I427 PolarHBondContact O-N 3.1Å; I427-C429 PolarHBondContact O-N 3.04Å; I427-G430 PolarHBondContact O-N 2.9Å; I427-V433 HydrophobicContact CD1-CG2 3.82Å; I427-V433 HydrophobicContact CG1-CG2 4.02Å
428S49.3Very low48Very low56 Ų5665.1 Ų65.139%0.39234%0.342SS..Hα-helixtrans-66.9-20.9176.367.90000113Q424 D425 G430Q424-S428 WeakPolarHBondContact O-CB 3.5Å; Q424-S428 PolarHBondContact O-N 3.24Å; Q424-S428 PolarHBondContact O-OG 2.94Å; D425-S428 WeakPolarHBondContact CA-OG 3.21Å; D425-S428 PolarHBondContact O-OG 3.29Å; S428-G430 VanDerWaalsContact C-N 3.31Å
429C43Very low47.3Very low47 Ų4766.9 Ų66.932%0.31836%0.362SS..THydrogen-bonded Turntrans-85.24.7169.5-68.40000114.1D425 A426 I427D425-C429 VanDerWaalsContact O-CB 3.31Å; D425-C429 WeakPolarHBondContact O-CB 2.98Å; D425-C429 PolarHBondContact O-N 3.2Å; D425-C429 PolarHBondContact O-SG 3.31Å; A426-C429 CarbonylContact O-C 3.54Å; A426-C429 WeakPolarHBondContact O-CB 3.47Å; A426-C429 PolarHBondContact O-N 3.07Å; I427-C429 PolarHBondContact O-N 3.04Å
430G40.6Very low46.3Very low51 Ų5176.5 Ų76.553%0.52640%0.399SS..THydrogen-bonded Turntrans82.717.6177.600000114.8A426 I427 S428 D432A426-G430 PolarHBondContact O-N 3.19Å; I427-G430 PolarHBondContact O-N 2.9Å; S428-G430 VanDerWaalsContact C-N 3.31Å; G430-D432 PolarHBondContact O-N 3.37Å
431V44Very low46Very low51 Ų5177.6 Ų77.631%0.30941%0.407SS..  trans-73.7115.9171.5-1790000108.5A426 V433 N435 L436A426-V431 HydrophobicContact CB-CB 4.2Å; A426-V431 HydrophobicContact CB-CG2 4.22Å; A426-V431 VanDerWaalsContact O-CB 3.22Å; A426-V431 WeakPolarHBondContact O-CB 3.4Å; A426-V431 VanDerWaalsContact O-CG2 3.28Å; A426-V431 WeakPolarHBondContact O-CG2 3.35Å; A426-V431 PolarHBondContact O-N 2.6Å; V431-V433 PolarHBondContact O-N 3.49Å; V431-N435 HydrophobicContact CG1-CB 4.37Å; V431-L436 HydrophobicContact CG1-CD2 4.08Å; V431-L436 HydrophobicContact CG1-CG 4.36Å
432D48.1Very low45.6Very low45 Ų4574 Ų7424%0.24140%0.4CS..  trans-58131.1169.5-167.6-44.8000109.2G430 R434 N435G430-D432 PolarHBondContact O-N 3.37Å; D432-R434 VanDerWaalsContact CG-NE 3.35Å; D432-R434 PolarHBondContact O-N 3.45Å; D432-R434 VanDerWaalsContact OD1-CB 3.26Å; D432-R434 WeakPolarHBondContact OD1-CB 3.31Å; D432-R434 VanDerWaalsContact OD1-CG 3.25Å; D432-R434 WeakPolarHBondContact OD1-CG 2.95Å; D432-R434 PolarHBondContact OD1-N 3.39Å; D432-R434 IonicContact OD1-NE 3.63Å; D432-R434 PolarHBondContact OD1-NE 3.44Å; D432-R434 IonicContact OD2-CZ 2.95Å; D432-R434 IonicContact OD2-NE 3.06Å; D432-R434 PolarHBondContact OD2-NE 3.25Å; D432-R434 IonicContact OD2-NH2 2.67Å; D432-R434 PolarHBondContact OD2-NH2 2.86Å; D432-N435 WeakPolarHBondContact O-CA 3.34Å; D432-N435 WeakPolarHBondContact O-CB 3.48Å; D432-N435 PolarHBondContact O-N 3.14Å
433V50.9Low45.1Very low16 Ų1673.9 Ų73.910%0.09740%0.4CS..G310 helixtrans-53.6-30.2179178.20000111.5L290 L294 I427 V431 N435 L436L290-V433 HydrophobicContact CD2-CG1 3.55Å; L294-V433 HydrophobicContact CD1-CG1 4.31Å; L294-V433 HydrophobicContact CD1-CG2 4.27Å; I427-V433 HydrophobicContact CD1-CG2 3.82Å; I427-V433 HydrophobicContact CG1-CG2 4.02Å; V431-V433 PolarHBondContact O-N 3.49Å; V433-N435 PolarHBondContact O-N 3.44Å; V433-L436 HydrophobicContact CG1-CD1 4.31Å; V433-L436 PolarHBondContact O-N 3.42Å
434R43.5Very low44.6Very low172 Ų17277 Ų7765%0.64942%0.417SS*.G310 helixtrans-63-20.3174.7-63.8178.4-75.7-177.2-1.4114H287 D432H287-R434 WeakPolarHBondContact CE1-CG 3.45Å; H287-R434 WeakPolarHBondContact NE2-CG 3.09Å; D432-R434 VanDerWaalsContact CG-NE 3.35Å; D432-R434 PolarHBondContact O-N 3.45Å; D432-R434 VanDerWaalsContact OD1-CB 3.26Å; D432-R434 WeakPolarHBondContact OD1-CB 3.31Å; D432-R434 VanDerWaalsContact OD1-CG 3.25Å; D432-R434 WeakPolarHBondContact OD1-CG 2.95Å; D432-R434 PolarHBondContact OD1-N 3.39Å; D432-R434 IonicContact OD1-NE 3.63Å; D432-R434 PolarHBondContact OD1-NE 3.44Å; D432-R434 IonicContact OD2-CZ 2.95Å; D432-R434 IonicContact OD2-NE 3.06Å; D432-R434 PolarHBondContact OD2-NE 3.25Å; D432-R434 IonicContact OD2-NH2 2.67Å; D432-R434 PolarHBondContact OD2-NH2 2.86Å
435N41.3Very low44.1Very low75 Ų7577.3 Ų77.340%0.40142%0.422SS..G310 helixtrans-101.63-178-64.5-32.4000113V431 D432 V433 I437V431-N435 HydrophobicContact CG1-CB 4.37Å; D432-N435 WeakPolarHBondContact O-CA 3.34Å; D432-N435 WeakPolarHBondContact O-CB 3.48Å; D432-N435 PolarHBondContact O-N 3.14Å; V433-N435 PolarHBondContact O-N 3.44Å; N435-I437 PolarHBondContact O-N 2.96Å
436L44.9Very low43.7Very low41 Ų4176.7 Ų76.722%0.21542%0.419CS..  trans-73.8116.2173.8-71.6170.2000109.8I423 A426 V431 V433 F438I423-L436 HydrophobicContact CG2-CD1 4.08Å; A426-L436 HydrophobicContact CB-CD2 3.97Å; V431-L436 HydrophobicContact CG1-CD2 4.08Å; V431-L436 HydrophobicContact CG1-CG 4.36Å; V433-L436 HydrophobicContact CG1-CD1 4.31Å; V433-L436 PolarHBondContact O-N 3.42Å; L436-F438 HydrophobicContact CB-CE2 4.11Å; L436-F438 HydrophobicContact CB-CZ 4.41Å
437I42.1Very low43.3Very low99 Ų9980.5 Ų80.551%0.50844%0.435SS..  trans-108.4118.2172.7-56174.5000106.9N435N435-I437 PolarHBondContact O-N 2.96Å
438F42.4Very low42.7Very low98 Ų9884.5 Ų84.543%0.4346%0.457SS..  trans-92.4120.7172.4-62-85.9000108.3I423 L436I423-F438 HydrophobicContact CD1-CE1 3.85Å; I423-F438 HydrophobicContact CD1-CZ 3.68Å; I423-F438 HydrophobicContact CG1-CE1 4.04Å; I423-F438 HydrophobicContact CG1-CZ 3.97Å; L436-F438 HydrophobicContact CB-CE2 4.11Å; L436-F438 HydrophobicContact CB-CZ 4.41Å
439C34.6Very low42.2Very low116 Ų11686.8 Ų86.878%0.78446%0.463SS*.  trans-100.1151167.1-67.60000108.8
440E31.1Very low42.1Very low231 Ų23190.5 Ų90.5100%1.07948%0.476SS*.  trans-53.80174.5-98.6-176.4159.200113.9V399V399-E440 HydrophobicContact CG2-CG 3.95Å

Retrieved 440 of 440 residues in 883.9 ms (Link to these results)

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