A0A077ZAK8_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZAK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.3Very low73.4Confident186 Ų186102.9 Ų102.992%0.91654%0.539SS*.  098.90-90.6-158.3-166.400107.1W75M1-W75 WeakPolarHBondContact O-CZ3 3.27Å
2D51.2Low74.9Confident135 Ų13596.6 Ų96.672%0.72251%0.505SS*.  trans-57.5155.3166.2-55.5-54.4000109.2
3S56.6Low76.3Confident55 Ų5593.5 Ų93.539%0.38550%0.497SS..SBendtrans-37.8135172.6-179.90000110.2L5 F8S3-L5 VanDerWaalsContact C-N 3.29Å; S3-L5 PolarHBondContact O-N 3.32Å; S3-F8 WeakPolarHBondContact OG-CE2 3.35Å
4P70.4Confident77.4Confident34 Ų3491.9 Ų91.922%0.22149%0.485CS..  trans-60.192.2-173.921.3-29.8000109.9W6 Y7 L71P4-W6 HydrophobicContact CB-CD2 4.1Å; P4-W6 VanDerWaalsContact CB-CE2 3.43Å; P4-W6 HydrophobicContact CB-CG 4.33Å; P4-W6 HydrophobicContact CB-CZ2 3.76Å; P4-W6 VanDerWaalsContact CB-NE1 3.25Å; P4-W6 HydrophobicContact CG-CZ2 4.49Å; P4-W6 PolarHBondContact O-N 2.95Å; P4-Y7 VanDerWaalsContact O-CB 3.26Å; P4-Y7 WeakPolarHBondContact O-CB 3.43Å; P4-Y7 PolarHBondContact O-N 3.42Å; P4-L71 HydrophobicContact CG-CD2 3.8Å
5L76.6Confident78.5Confident134 Ų13499.1 Ų99.170%0.70250%0.503SS*.Hα-helixtrans-55.5-28.7-174.2-67.8172.8000111.4S3 Y7 F8 S9S3-L5 VanDerWaalsContact C-N 3.29Å; S3-L5 PolarHBondContact O-N 3.32Å; L5-Y7 PolarHBondContact O-N 3.24Å; L5-F8 PolarHBondContact O-N 2.99Å; L5-S9 PolarHBondContact O-N 3.07Å
6W82.7Confident79.5Confident52 Ų5298.6 Ų98.620%0.19750%0.498CS..Hα-helixtrans-63.5-24.4175.160.9-101.2000114.3P4 S9 L12 K17 R20 L21 L71P4-W6 HydrophobicContact CB-CD2 4.1Å; P4-W6 VanDerWaalsContact CB-CE2 3.43Å; P4-W6 HydrophobicContact CB-CG 4.33Å; P4-W6 HydrophobicContact CB-CZ2 3.76Å; P4-W6 VanDerWaalsContact CB-NE1 3.25Å; P4-W6 HydrophobicContact CG-CZ2 4.49Å; P4-W6 PolarHBondContact O-N 2.95Å; W6-S9 WeakPolarHBondContact O-CB 3.49Å; W6-S9 PolarHBondContact O-N 2.84Å; W6-L12 HydrophobicContact CB-CD1 3.75Å; W6-K17 HydrophobicContact CE3-CB 4.32Å; W6-K17 HydrophobicContact CE3-CG 4.11Å; W6-K17 WeakPolarHBondContact CH2-O 3.45Å; W6-K17 HydrophobicContact CZ3-CB 3.77Å; W6-K17 HydrophobicContact CZ3-CG 4.04Å; W6-K17 WeakPolarHBondContact CZ3-O 3.49Å; W6-R20 HydrophobicContact CD2-CB 4.21Å; W6-R20 HydrophobicContact CE3-CB 4.22Å; W6-R20 HydrophobicContact CH2-CB 3.89Å; W6-R20 HydrophobicContact CZ2-CB 3.84Å; W6-R20 HydrophobicContact CZ3-CB 4.09Å; W6-L21 HydrophobicContact CH2-CB 4.28Å; W6-L71 HydrophobicContact CH2-CD2 3.69Å; W6-L71 HydrophobicContact CZ2-CD2 3.9Å
7Y81.7Confident80.3Confident51 Ų5194.8 Ų94.820%0.248%0.477CS..Hα-helixtrans-64.9-42.2176.3175.7-106000111.3P4 L5 S9 K17 L67 L68 L71P4-Y7 VanDerWaalsContact O-CB 3.26Å; P4-Y7 WeakPolarHBondContact O-CB 3.43Å; P4-Y7 PolarHBondContact O-N 3.42Å; L5-Y7 PolarHBondContact O-N 3.24Å; Y7-S9 VanDerWaalsContact C-N 3.28Å; Y7-S9 PolarHBondContact O-N 3.41Å; Y7-K17 WeakPolarHBondContact O-CE 3.41Å; Y7-K17 PolarHBondContact O-NZ 3.49Å; Y7-L67 HydrophobicContact CD2-CD2 4.15Å; Y7-L67 HydrophobicContact CD2-CG 4.39Å; Y7-L67 HydrophobicContact CE2-CD2 3.78Å; Y7-L67 HydrophobicContact CE2-CG 4Å; Y7-L68 HydrophobicContact CE1-CD1 4.36Å; Y7-L71 HydrophobicContact CD1-CD1 4.35Å; Y7-L71 HydrophobicContact CD2-CD1 3.22Å; Y7-L71 HydrophobicContact CE2-CD1 3.62Å; Y7-L71 HydrophobicContact CG-CD1 3.63Å
8F82Confident81.1Confident140 Ų14092 Ų9261%0.61447%0.466SS*.Hα-helixtrans-78.4-12.3179.7-56.8-72.4000113.5S3 L5 K10S3-F8 WeakPolarHBondContact OG-CE2 3.35Å; L5-F8 PolarHBondContact O-N 2.99Å; F8-K10 PolarHBondContact O-N 2.83Å
9S85.9Confident81.8Confident45 Ų4591 Ų9132%0.31547%0.467SS..  trans-66.5128.7176.9-174.10000111.3L5 W6 Y7 A11 K17L5-S9 PolarHBondContact O-N 3.07Å; W6-S9 WeakPolarHBondContact O-CB 3.49Å; W6-S9 PolarHBondContact O-N 2.84Å; Y7-S9 VanDerWaalsContact C-N 3.28Å; Y7-S9 PolarHBondContact O-N 3.41Å; S9-A11 VanDerWaalsContact C-N 3.26Å; S9-A11 WeakPolarHBondContact OG-CB 2.68Å; S9-A11 PolarHBondContact OG-N 3.09Å; S9-K17 WeakPolarHBondContact O-CE 3.29Å; S9-K17 PolarHBondContact O-NZ 2.85Å
10K85.8Confident82.4Confident211 Ų21192 Ų9292%0.91747%0.465SS*.THydrogen-bonded Turntrans-73-18.1170-66-174.8-179.3179.90112.7F8 L12F8-K10 PolarHBondContact O-N 2.83Å; K10-L12 VanDerWaalsContact C-N 3.28Å; K10-L12 PolarHBondContact O-N 3.31Å
11A90.1Very high82.9Confident89 Ų8988 Ų8874%0.73645%0.445SS*.THydrogen-bonded Turntrans-74-17.2-175.800000113.6S9S9-A11 VanDerWaalsContact C-N 3.26Å; S9-A11 WeakPolarHBondContact OG-CB 2.68Å; S9-A11 PolarHBondContact OG-N 3.09Å
12L91.3Very high85.4Confident27 Ų2781.9 Ų81.914%0.14141%0.412CS..SBendtrans-99.5129.4-177.6-63.8176.6000111.7W6 K10 Q16 K17W6-L12 HydrophobicContact CB-CD1 3.75Å; K10-L12 VanDerWaalsContact C-N 3.28Å; K10-L12 PolarHBondContact O-N 3.31Å; L12-Q16 HydrophobicContact CB-CB 4.44Å; L12-Q16 HydrophobicContact CD2-CB 4.35Å; L12-K17 HydrophobicContact CB-CG 4Å; L12-K17 VanDerWaalsContact O-CE 3.3Å; L12-K17 WeakPolarHBondContact O-CE 3.44Å
13S93.1Very high87.3Confident57 Ų5780.5 Ų80.540%0.39940%0.4SS..  trans-62.5154.5168.6650000111.3R15 Q16 K17S13-R15 VanDerWaalsContact C-N 3.25Å; S13-R15 PolarHBondContact O-N 2.8Å; S13-Q16 WeakPolarHBondContact O-CB 3.46Å; S13-Q16 PolarHBondContact O-N 3Å; S13-Q16 VanDerWaalsContact OG-CD 3.29Å; S13-Q16 VanDerWaalsContact OG-CG 3.27Å; S13-Q16 WeakPolarHBondContact OG-CG 3.29Å; S13-Q16 PolarHBondContact OG-N 3.36Å; S13-Q16 PolarHBondContact OG-OE1 3.19Å; S13-K17 PolarHBondContact O-N 3.38Å
14H92.4Very high88.9Confident70 Ų7079.3 Ų79.332%0.32439%0.393SS..Hα-helixtrans-54.6-42.5175.7178.975.6000112Q16 K17 V18 K63H14-Q16 VanDerWaalsContact C-N 3.35Å; H14-Q16 PolarHBondContact O-N 3.14Å; H14-K17 WeakPolarHBondContact O-CB 3.46Å; H14-K17 PolarHBondContact O-N 3.23Å; H14-K17 VanDerWaalsContact O-N 3.11Å; H14-V18 WeakPolarHBondContact O-CG2 3.33Å; H14-V18 PolarHBondContact O-N 3.32Å; H14-K63 PolarHBondContact CE1-O 2.97Å
15R93.1Very high90Very high200 Ų20078.4 Ų78.476%0.75539%0.389SS*.Hα-helixtrans-55.5-47.4175.1179.4-179.6172.1-175.3-1.2112.1S13 K17 V18 C19S13-R15 VanDerWaalsContact C-N 3.25Å; S13-R15 PolarHBondContact O-N 2.8Å; R15-K17 VanDerWaalsContact C-N 3.32Å; R15-K17 PolarHBondContact O-N 3.42Å; R15-V18 PolarHBondContact O-N 2.89Å; R15-C19 PolarHBondContact O-N 2.82Å; R15-C19 PolarHBondContact O-SG 2.99Å
16Q94.4Very high90.8Very high92 Ų9273.6 Ų73.643%0.4336%0.363SS..Hα-helixtrans-63.4-38.9178-73.5163.9-33.500111.7L12 S13 H14 C19 R20L12-Q16 HydrophobicContact CB-CB 4.44Å; L12-Q16 HydrophobicContact CD2-CB 4.35Å; S13-Q16 WeakPolarHBondContact O-CB 3.46Å; S13-Q16 PolarHBondContact O-N 3Å; S13-Q16 VanDerWaalsContact OG-CD 3.29Å; S13-Q16 VanDerWaalsContact OG-CG 3.27Å; S13-Q16 WeakPolarHBondContact OG-CG 3.29Å; S13-Q16 PolarHBondContact OG-N 3.36Å; S13-Q16 PolarHBondContact OG-OE1 3.19Å; H14-Q16 VanDerWaalsContact C-N 3.35Å; H14-Q16 PolarHBondContact O-N 3.14Å; Q16-C19 PolarHBondContact O-N 3.36Å; Q16-R20 WeakPolarHBondContact O-CG 3.47Å; Q16-R20 PolarHBondContact O-N 3.04Å
17K94.1Very high91.1Very high33 Ų3375 Ų7514%0.14337%0.369CS..Hα-helixtrans-62-46.6176-68.5-176.3-176.1-174.70111.6W6 Y7 S9 L12 S13 H14 R15 C19 R20 L21 L67W6-K17 HydrophobicContact CE3-CB 4.32Å; W6-K17 HydrophobicContact CE3-CG 4.11Å; W6-K17 WeakPolarHBondContact CH2-O 3.45Å; W6-K17 HydrophobicContact CZ3-CB 3.77Å; W6-K17 HydrophobicContact CZ3-CG 4.04Å; W6-K17 WeakPolarHBondContact CZ3-O 3.49Å; Y7-K17 WeakPolarHBondContact O-CE 3.41Å; Y7-K17 PolarHBondContact O-NZ 3.49Å; S9-K17 WeakPolarHBondContact O-CE 3.29Å; S9-K17 PolarHBondContact O-NZ 2.85Å; L12-K17 HydrophobicContact CB-CG 4Å; L12-K17 VanDerWaalsContact O-CE 3.3Å; L12-K17 WeakPolarHBondContact O-CE 3.44Å; S13-K17 PolarHBondContact O-N 3.38Å; H14-K17 WeakPolarHBondContact O-CB 3.46Å; H14-K17 PolarHBondContact O-N 3.23Å; H14-K17 VanDerWaalsContact O-N 3.11Å; R15-K17 VanDerWaalsContact C-N 3.32Å; R15-K17 PolarHBondContact O-N 3.42Å; K17-C19 PolarHBondContact O-N 3.2Å; K17-R20 PolarHBondContact O-N 3.28Å; K17-L21 PolarHBondContact O-N 2.89Å; K17-L67 HydrophobicContact CB-CD1 4.49Å; K17-L67 HydrophobicContact CB-CD2 3.86Å; K17-L67 HydrophobicContact CD-CD2 4.31Å
18V94.8Very high91.5Very high45 Ų4574 Ų7427%0.27337%0.366SS..Hα-helixtrans-61.6-44.3175.5175.20000111.3H14 R15 R20 L21 Y22 F51 L67H14-V18 WeakPolarHBondContact O-CG2 3.33Å; H14-V18 PolarHBondContact O-N 3.32Å; R15-V18 PolarHBondContact O-N 2.89Å; V18-R20 VanDerWaalsContact C-N 3.29Å; V18-R20 PolarHBondContact O-N 3.38Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-Y22 WeakPolarHBondContact O-CB 3.44Å; V18-Y22 PolarHBondContact O-N 3.3Å; V18-F51 HydrophobicContact CG1-CD1 4.18Å; V18-F51 HydrophobicContact CG1-CE1 4.13Å; V18-L67 HydrophobicContact CG2-CD1 4.17Å
19C94.7Very high92Very high73 Ų7367.6 Ų67.649%0.49334%0.339SS..Hα-helixtrans-61.8-35.9176.6-68.40000112.8R15 Q16 K17 K23R15-C19 PolarHBondContact O-N 2.82Å; R15-C19 PolarHBondContact O-SG 2.99Å; Q16-C19 PolarHBondContact O-N 3.36Å; K17-C19 PolarHBondContact O-N 3.2Å; C19-K23 WeakPolarHBondContact O-CB 3.49Å; C19-K23 PolarHBondContact O-N 3.07Å
20R92.6Very high92.2Very high110 Ų11065.7 Ų65.742%0.41533%0.325SS..Hα-helixtrans-68.4-43.7174.8-73.7-180-175.2-150.42.9111.7W6 Q16 K17 V18 K23 A24W6-R20 HydrophobicContact CD2-CB 4.21Å; W6-R20 HydrophobicContact CE3-CB 4.22Å; W6-R20 HydrophobicContact CH2-CB 3.89Å; W6-R20 HydrophobicContact CZ2-CB 3.84Å; W6-R20 HydrophobicContact CZ3-CB 4.09Å; Q16-R20 WeakPolarHBondContact O-CG 3.47Å; Q16-R20 PolarHBondContact O-N 3.04Å; K17-R20 PolarHBondContact O-N 3.28Å; V18-R20 VanDerWaalsContact C-N 3.29Å; V18-R20 PolarHBondContact O-N 3.38Å; R20-K23 PolarHBondContact O-N 3.26Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 2.93Å
21L94Very high92.4Very high8 Ų856.7 Ų56.74%0.04229%0.289CS..Hα-helixtrans-58.4-48.3173.2176.266.1000110.9W6 K17 V18 K23 A24 A25 F51 L67 L71 L74W6-L21 HydrophobicContact CH2-CB 4.28Å; K17-L21 PolarHBondContact O-N 2.89Å; V18-L21 PolarHBondContact O-N 3.42Å; L21-K23 PolarHBondContact O-N 2.93Å; L21-A24 WeakPolarHBondContact O-CB 3.41Å; L21-A24 PolarHBondContact O-N 3.11Å; L21-A24 VanDerWaalsContact O-N 3.13Å; L21-A25 PolarHBondContact O-N 3.39Å; L21-F51 HydrophobicContact CD2-CE1 4.3Å; L21-F51 HydrophobicContact CD2-CZ 4.12Å; L21-F51 HydrophobicContact CG-CE1 4.45Å; L21-F51 HydrophobicContact CG-CZ 4.05Å; L21-L67 HydrophobicContact CB-CD1 4.24Å; L21-L67 HydrophobicContact CD2-CD1 3.88Å; L21-L71 HydrophobicContact CD1-CD2 3.75Å; L21-L71 HydrophobicContact CD1-CG 4.12Å; L21-L74 HydrophobicContact CD1-CB 4.27Å; L21-L74 HydrophobicContact CD1-CD2 4.08Å
22Y95.2Very high92.5Very high59 Ų5957.7 Ų57.723%0.23127%0.274CS..Hα-helixtrans-57.7-48.5177.8179.3-113.4000111.8V18 A24 A25 L26 I47 R48 F51V18-Y22 WeakPolarHBondContact O-CB 3.44Å; V18-Y22 PolarHBondContact O-N 3.3Å; Y22-A24 VanDerWaalsContact C-N 3.31Å; Y22-A24 PolarHBondContact O-N 3.44Å; Y22-A25 PolarHBondContact O-N 3.4Å; Y22-L26 HydrophobicContact CD1-CD1 4.11Å; Y22-L26 HydrophobicContact CE1-CD1 3.52Å; Y22-L26 HydrophobicContact CE1-CG 4.3Å; Y22-L26 HydrophobicContact CE2-CD1 4.22Å; Y22-L26 HydrophobicContact CE2-CD2 4.18Å; Y22-L26 HydrophobicContact CE2-CG 4.17Å; Y22-L26 WeakPolarHBondContact O-CG 3.5Å; Y22-L26 PolarHBondContact O-N 3.38Å; Y22-I47 HydrophobicContact CD2-CG2 4.43Å; Y22-I47 HydrophobicContact CE2-CG2 4.25Å; Y22-R48 HydrophobicContact CE2-CB 4.43Å; Y22-R48 WeakPolarHBondContact OH-CD 3.45Å; Y22-F51 HydrophobicContact CD2-CB 4.44Å; Y22-F51 HydrophobicContact CD2-CD1 4.04Å; Y22-F51 AromaticContact CD2-CD2 3.67Å; Y22-F51 HydrophobicContact CD2-CD2 3.67Å; Y22-F51 HydrophobicContact CD2-CE1 4.17Å; Y22-F51 AromaticContact CD2-CE2 3.81Å; Y22-F51 HydrophobicContact CD2-CE2 3.81Å; Y22-F51 AromaticContact CD2-CG 3.78Å; Y22-F51 HydrophobicContact CD2-CG 3.78Å; Y22-F51 HydrophobicContact CD2-CZ 4.06Å; Y22-F51 HydrophobicContact CE2-CD2 4.24Å; Y22-F51 HydrophobicContact CE2-CG 4.41Å; Y22-F51 HydrophobicContact CG-CD1 4.49Å; Y22-F51 HydrophobicContact CG-CE1 4.44Å
23K92.4Very high92.5Very high106 Ų10658.9 Ų58.946%0.46128%0.278SS..Hα-helixtrans-58.1-44.9175.2-177.7178.3177.8-178.90111.2C19 R20 L21 L26 R27C19-K23 WeakPolarHBondContact O-CB 3.49Å; C19-K23 PolarHBondContact O-N 3.07Å; R20-K23 PolarHBondContact O-N 3.26Å; L21-K23 PolarHBondContact O-N 2.93Å; K23-L26 PolarHBondContact O-N 2.75Å; K23-R27 VanDerWaalsContact O-CG 3.31Å; K23-R27 WeakPolarHBondContact O-CG 3.49Å; K23-R27 PolarHBondContact O-N 2.97Å; K23-R27 VanDerWaalsContact O-N 3.07Å
24A90.6Very high92.2Very high29 Ų2962.2 Ų62.224%0.2428%0.282CS..Hα-helixtrans-63.1-43179.600000112.2R20 L21 Y22 L26 R27 L28 L74R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 2.93Å; L21-A24 WeakPolarHBondContact O-CB 3.41Å; L21-A24 PolarHBondContact O-N 3.11Å; L21-A24 VanDerWaalsContact O-N 3.13Å; Y22-A24 VanDerWaalsContact C-N 3.31Å; Y22-A24 PolarHBondContact O-N 3.44Å; A24-L26 PolarHBondContact O-N 2.78Å; A24-R27 PolarHBondContact O-N 3.43Å; A24-L28 WeakPolarHBondContact O-CB 3.41Å; A24-L28 PolarHBondContact O-N 2.65Å; A24-L74 HydrophobicContact CB-CD1 4.28Å; A24-L74 HydrophobicContact CB-CD2 3.64Å
25A93.3Very high92Very high16 Ų1664.6 Ų64.613%0.13230%0.304CS..Hα-helixtrans-61-43.117600000112.3L21 Y22 R27 L28 C29 I47 L74L21-A25 PolarHBondContact O-N 3.39Å; Y22-A25 PolarHBondContact O-N 3.4Å; A25-R27 VanDerWaalsContact C-N 3.33Å; A25-R27 PolarHBondContact O-N 3.44Å; A25-L28 PolarHBondContact O-N 3.31Å; A25-C29 WeakPolarHBondContact O-CB 3.42Å; A25-C29 PolarHBondContact O-N 3.31Å; A25-I47 HydrophobicContact CB-CG2 4.11Å; A25-L74 HydrophobicContact CB-CD1 4.37Å
26L92.9Very high92Very high33 Ų3358.5 Ų58.517%0.17329%0.286CS..Hα-helixtrans-64.7-35.1175.9-66.2-178.9000113Y22 K23 A24 C29 D30 K44 I47Y22-L26 HydrophobicContact CD1-CD1 4.11Å; Y22-L26 HydrophobicContact CE1-CD1 3.52Å; Y22-L26 HydrophobicContact CE1-CG 4.3Å; Y22-L26 HydrophobicContact CE2-CD1 4.22Å; Y22-L26 HydrophobicContact CE2-CD2 4.18Å; Y22-L26 HydrophobicContact CE2-CG 4.17Å; Y22-L26 WeakPolarHBondContact O-CG 3.5Å; Y22-L26 PolarHBondContact O-N 3.38Å; K23-L26 PolarHBondContact O-N 2.75Å; A24-L26 PolarHBondContact O-N 2.78Å; L26-C29 WeakPolarHBondContact O-CB 3.47Å; L26-C29 PolarHBondContact O-N 2.97Å; L26-D30 PolarHBondContact O-N 3.03Å; L26-K44 HydrophobicContact CD2-CB 3.91Å; L26-K44 HydrophobicContact CD2-CD 4.24Å; L26-K44 HydrophobicContact CD2-CG 3.7Å; L26-K44 WeakPolarHBondContact O-CE 3.42Å; L26-I47 HydrophobicContact CD2-CG2 4.29Å
27R89.1Confident91.9Very high81 Ų8159.3 Ų59.331%0.30630%0.297SS..Hα-helixtrans-73.4-34.2176.4-67.5-57.8-168.6-167.12112.5K23 A24 A25 C29 D30 S31 A86 A87K23-R27 VanDerWaalsContact O-CG 3.31Å; K23-R27 WeakPolarHBondContact O-CG 3.49Å; K23-R27 PolarHBondContact O-N 2.97Å; K23-R27 VanDerWaalsContact O-N 3.07Å; A24-R27 PolarHBondContact O-N 3.43Å; A25-R27 VanDerWaalsContact C-N 3.33Å; A25-R27 PolarHBondContact O-N 3.44Å; R27-C29 VanDerWaalsContact C-N 3.34Å; R27-D30 IonicContact NH1-OD2 3.86Å; R27-D30 WeakPolarHBondContact O-CB 3.3Å; R27-D30 PolarHBondContact O-N 2.96Å; R27-S31 PolarHBondContact O-N 2.87Å; R27-S31 VanDerWaalsContact O-N 3.08Å; R27-S31 PolarHBondContact O-OG 3.24Å; R27-A86 WeakPolarHBondContact CD-O 3.35Å; R27-A86 VanDerWaalsContact CZ-O 3.26Å; R27-A86 PolarHBondContact NE-O 2.68Å; R27-A86 PolarHBondContact NH1-O 3.41Å; R27-A87 VanDerWaalsContact CZ-O 3.27Å; R27-A87 PolarHBondContact NE-O 3.11Å; R27-A87 VanDerWaalsContact NE-O 3.08Å; R27-A87 PolarHBondContact NH2-O 3.24Å
28L90.6Very high91.9Very high29 Ų2966.2 Ų66.215%0.15233%0.328CS..Hα-helixtrans-63.2-45.2171.7-174.664.2000110.3A24 A25 D30 S31 Y32 L74 K77 H79A24-L28 WeakPolarHBondContact O-CB 3.41Å; A24-L28 PolarHBondContact O-N 2.65Å; A25-L28 PolarHBondContact O-N 3.31Å; L28-D30 VanDerWaalsContact C-N 3.33Å; L28-D30 PolarHBondContact O-N 2.92Å; L28-S31 WeakPolarHBondContact O-CA 3.39Å; L28-S31 WeakPolarHBondContact O-CB 3.5Å; L28-S31 PolarHBondContact O-N 3.09Å; L28-Y32 HydrophobicContact CD1-CD2 4.17Å; L28-Y32 HydrophobicContact CD1-CE2 3.73Å; L28-Y32 HydrophobicContact CG-CD2 4.2Å; L28-Y32 HydrophobicContact CG-CE2 4.04Å; L28-Y32 WeakPolarHBondContact O-CD2 3.26Å; L28-Y32 PolarHBondContact O-N 2.98Å; L28-L74 HydrophobicContact CB-CD1 4.24Å; L28-L74 HydrophobicContact CD2-CD1 3.71Å; L28-K77 WeakPolarHBondContact CD1-O 3.25Å; L28-K77 HydrophobicContact CD2-CB 4.06Å; L28-K77 WeakPolarHBondContact CD2-O 3.31Å; L28-H79 HydrophobicContact CD1-CB 3.98Å
29C92.8Very high91.9Very high6 Ų668.3 Ų68.34%0.04133%0.334CS..Hα-helixtrans-55.4-45.6172.1-175.50000112A25 L26 R27 S31 Y32 F33 N43 K44 I47A25-C29 WeakPolarHBondContact O-CB 3.42Å; A25-C29 PolarHBondContact O-N 3.31Å; L26-C29 WeakPolarHBondContact O-CB 3.47Å; L26-C29 PolarHBondContact O-N 2.97Å; R27-C29 VanDerWaalsContact C-N 3.34Å; C29-S31 PolarHBondContact O-N 3.44Å; C29-Y32 PolarHBondContact O-N 3.45Å; C29-F33 HydrophobicContact CB-CD2 4.46Å; C29-F33 VanDerWaalsContact O-CD2 3.27Å; C29-F33 WeakPolarHBondContact O-CD2 3.44Å; C29-F33 PolarHBondContact O-N 3.4Å; C29-F33 VanDerWaalsContact O-N 3.11Å; C29-F33 VanDerWaalsContact SG-CD2 3.5Å; C29-N43 WeakPolarHBondContact SG-CB 3.34Å; C29-K44 HydrophobicContact CB-CG 4.27Å; C29-I47 HydrophobicContact CB-CD1 3.79Å
30D89.9Confident91.9Very high6 Ų665.3 Ų65.33%0.03231%0.314CS..Hα-helixtrans-59.2-31173.7-79.7-43.3000113L26 R27 L28 R34 T40 K44L26-D30 PolarHBondContact O-N 3.03Å; R27-D30 IonicContact NH1-OD2 3.86Å; R27-D30 WeakPolarHBondContact O-CB 3.3Å; R27-D30 PolarHBondContact O-N 2.96Å; L28-D30 VanDerWaalsContact C-N 3.33Å; L28-D30 PolarHBondContact O-N 2.92Å; D30-R34 WeakPolarHBondContact O-CB 3.36Å; D30-R34 PolarHBondContact O-N 3.07Å; D30-R34 IonicContact OD1-NH2 3.88Å; D30-T40 WeakPolarHBondContact OD1-CG2 3.43Å; D30-K44 VanDerWaalsContact OD1-CE 3.31Å; D30-K44 WeakPolarHBondContact OD1-CE 3.41Å; D30-K44 IonicContact OD1-NZ 3.48Å; D30-K44 PolarHBondContact OD1-NZ 3.35Å; D30-K44 IonicContact OD2-NZ 2.95Å; D30-K44 PolarHBondContact OD2-NZ 3.5Å
31S89Confident92Very high21 Ų2168.3 Ų68.315%0.14733%0.325CS..Hα-helixtrans-76.2-27.8-178.1-56.50000113.1R27 L28 C29 F83R27-S31 PolarHBondContact O-N 2.87Å; R27-S31 VanDerWaalsContact O-N 3.08Å; R27-S31 PolarHBondContact O-OG 3.24Å; L28-S31 WeakPolarHBondContact O-CA 3.39Å; L28-S31 WeakPolarHBondContact O-CB 3.5Å; L28-S31 PolarHBondContact O-N 3.09Å; C29-S31 PolarHBondContact O-N 3.44Å; S31-F83 PolarHBondContact OG-N 3.33Å; S31-F83 VanDerWaalsContact OG-N 3.08Å
32Y92.2Very high92.2Very high111 Ų11174 Ų7444%0.43535%0.35SS..Hα-helixtrans-90.1-42.1179.3-82-81.4000113.5L28 C29 K77 R78 H79L28-Y32 HydrophobicContact CD1-CD2 4.17Å; L28-Y32 HydrophobicContact CD1-CE2 3.73Å; L28-Y32 HydrophobicContact CG-CD2 4.2Å; L28-Y32 HydrophobicContact CG-CE2 4.04Å; L28-Y32 WeakPolarHBondContact O-CD2 3.26Å; L28-Y32 PolarHBondContact O-N 2.98Å; C29-Y32 PolarHBondContact O-N 3.45Å; Y32-K77 VanDerWaalsContact CE2-O 3.3Å; Y32-K77 WeakPolarHBondContact CE2-O 3.47Å; Y32-K77 PolarHBondContact OH-O 3.21Å; Y32-K77 VanDerWaalsContact OH-O 3.14Å; Y32-R78 PolarHBondContact OH-O 3.5Å; Y32-H79 AromaticContact CD1-CD2 3.59Å; Y32-H79 HydrophobicContact CD2-CB 4.3Å; Y32-H79 AromaticContact CD2-CD2 3.91Å; Y32-H79 AromaticContact CE1-CD2 3.48Å; Y32-H79 VanDerWaalsContact CE1-CD2 3.48Å; Y32-H79 WeakPolarHBondContact CE1-CD2 3.43Å; Y32-H79 HydrophobicContact CE2-CB 3.75Å; Y32-H79 AromaticContact CE2-CD2 3.8Å; Y32-H79 AromaticContact CG-CD2 3.8Å; Y32-H79 AromaticContact CZ-CD2 3.58Å; Y32-H79 WeakPolarHBondContact OH-CA 3.32Å
33F92Very high92.3Very high51 Ų5173 Ų7322%0.22435%0.349CS..Hα-helixtrans-102.2-12.8-165.9-59.8-66.7000114.4C29 D36 E39 T40 N43C29-F33 HydrophobicContact CB-CD2 4.46Å; C29-F33 VanDerWaalsContact O-CD2 3.27Å; C29-F33 WeakPolarHBondContact O-CD2 3.44Å; C29-F33 PolarHBondContact O-N 3.4Å; C29-F33 VanDerWaalsContact O-N 3.11Å; C29-F33 VanDerWaalsContact SG-CD2 3.5Å; F33-D36 WeakPolarHBondContact O-CA 3.41Å; F33-D36 WeakPolarHBondContact O-CB 3.5Å; F33-D36 PolarHBondContact O-N 3.28Å; F33-E39 HydrophobicContact CB-CG 4.37Å; F33-E39 HydrophobicContact CD1-CG 3.57Å; F33-E39 VanDerWaalsContact CD1-OE1 3.28Å; F33-E39 WeakPolarHBondContact CD1-OE1 3.34Å; F33-E39 HydrophobicContact CE1-CG 4.12Å; F33-E39 VanDerWaalsContact CE1-OE1 3.32Å; F33-E39 WeakPolarHBondContact CE1-OE1 3.27Å; F33-E39 HydrophobicContact CG-CG 4.17Å; F33-T40 VanDerWaalsContact C-OG1 3.25Å; F33-T40 VanDerWaalsContact CB-OG1 3.28Å; F33-T40 WeakPolarHBondContact CB-OG1 3.39Å; F33-T40 PolarHBondContact O-OG1 3.45Å; F33-N43 HydrophobicContact CD2-CB 3.85Å; F33-N43 WeakPolarHBondContact CE1-ND2 3.46Å; F33-N43 HydrophobicContact CE2-CB 3.58Å; F33-N43 WeakPolarHBondContact CE2-ND2 3.49Å; F33-N43 HydrophobicContact CZ-CB 4.17Å; F33-N43 VanDerWaalsContact CZ-ND2 3.27Å; F33-N43 WeakPolarHBondContact CZ-ND2 3.42Å; F33-N43 WeakPolarHBondContact CZ-OD1 3.16Å
34R85.9Confident92.5Very high128 Ų12870.3 Ų70.348%0.48334%0.337SS..THydrogen-bonded Turntrans-71.6139.3174.4-173.4178.5-77.6-139.7-4109.1D30 T40D30-R34 WeakPolarHBondContact O-CB 3.36Å; D30-R34 PolarHBondContact O-N 3.07Å; D30-R34 IonicContact OD1-NH2 3.88Å; R34-T40 PolarHBondContact N-OG1 2.92Å
35P88.7Confident92.8Very high120 Ų12072.2 Ų72.278%0.77935%0.346SS*.THydrogen-bonded Turncis-86.2-2.11534.9-36.5000117V37P35-V37 PolarHBondContact O-N 3.33Å
36D93Very high93Very high72 Ų7275.5 Ų75.539%0.38536%0.359SS..  trans-69.5106.9-179.8-170.6-25.4000111.1F33 F38 E39 T40F33-D36 WeakPolarHBondContact O-CA 3.41Å; F33-D36 WeakPolarHBondContact O-CB 3.5Å; F33-D36 PolarHBondContact O-N 3.28Å; D36-F38 PolarHBondContact OD1-N 3.19Å; D36-E39 HydrophobicContact CB-CB 3.98Å; D36-E39 PolarHBondContact OD1-N 2.98Å; D36-T40 WeakPolarHBondContact O-CB 3.35Å; D36-T40 PolarHBondContact O-N 3.36Å; D36-T40 PolarHBondContact O-OG1 3.2Å
37V91.3Very high93.2Very high109 Ų10975.4 Ų75.466%0.66136%0.358SS*.Hα-helixtrans-69.6-36.3-178.3-179.80000111.6P35 R41P35-V37 PolarHBondContact O-N 3.33Å; V37-R41 WeakPolarHBondContact O-CB 3.48Å; V37-R41 PolarHBondContact O-N 3.46Å
38F95.9Very high93.6Very high178 Ų17877 Ų7778%0.78137%0.365SS*.Hα-helixtrans-72.1-46.9-177.7-65.9-69.8000110.5D36 R41 F42D36-F38 PolarHBondContact OD1-N 3.19Å; F38-R41 PolarHBondContact O-N 3.1Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 3.38Å
39E94.9Very high94Very high88 Ų8878.2 Ų78.241%0.41138%0.376SS..Hα-helixtrans-64.3-43.5176.8-168.4178.7-170.200111.1F33 D36 R41 F42 N43F33-E39 HydrophobicContact CB-CG 4.37Å; F33-E39 HydrophobicContact CD1-CG 3.57Å; F33-E39 VanDerWaalsContact CD1-OE1 3.28Å; F33-E39 WeakPolarHBondContact CD1-OE1 3.34Å; F33-E39 HydrophobicContact CE1-CG 4.12Å; F33-E39 VanDerWaalsContact CE1-OE1 3.32Å; F33-E39 WeakPolarHBondContact CE1-OE1 3.27Å; F33-E39 HydrophobicContact CG-CG 4.17Å; D36-E39 HydrophobicContact CB-CB 3.98Å; D36-E39 PolarHBondContact OD1-N 2.98Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.3Å; E39-F42 PolarHBondContact O-N 3.26Å; E39-N43 WeakPolarHBondContact O-CB 3.45Å; E39-N43 PolarHBondContact O-N 3.22Å; E39-N43 PolarHBondContact O-ND2 2.95Å
40T93.5Very high94.2Very high11 Ų1183.8 Ų83.87%0.06740%0.396CS..Hα-helixtrans-58.8-44.7174.4-61.20000111D30 F33 R34 D36 K44D30-T40 WeakPolarHBondContact OD1-CG2 3.43Å; F33-T40 VanDerWaalsContact C-OG1 3.25Å; F33-T40 VanDerWaalsContact CB-OG1 3.28Å; F33-T40 WeakPolarHBondContact CB-OG1 3.39Å; F33-T40 PolarHBondContact O-OG1 3.45Å; R34-T40 PolarHBondContact N-OG1 2.92Å; D36-T40 WeakPolarHBondContact O-CB 3.35Å; D36-T40 PolarHBondContact O-N 3.36Å; D36-T40 PolarHBondContact O-OG1 3.2Å; T40-K44 HydrophobicContact CG2-CD 4.07Å; T40-K44 HydrophobicContact CG2-CG 4.48Å; T40-K44 WeakPolarHBondContact O-CB 3.48Å; T40-K44 VanDerWaalsContact O-CG 3.25Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 2.98Å
41R95.4Very high94.5Very high172 Ų17286.2 Ų86.265%0.64941%0.406SS*.Hα-helixtrans-66.7-44.6-178.9-177.760.3175.9-158.50.7111.5V37 F38 E39 K44 V45V37-R41 WeakPolarHBondContact O-CB 3.48Å; V37-R41 PolarHBondContact O-N 3.46Å; F38-R41 PolarHBondContact O-N 3.1Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.3Å; R41-K44 PolarHBondContact O-N 3.19Å; R41-V45 WeakPolarHBondContact O-CG2 3.34Å; R41-V45 PolarHBondContact O-N 3.49Å
42F97.5Very high94.9Very high128 Ų12888.3 Ų88.356%0.56142%0.416SS*.Hα-helixtrans-55.2-53.5176.7175-99.9000110.8F38 E39 K44 V45 M46F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 3.38Å; E39-F42 PolarHBondContact O-N 3.26Å; F42-K44 VanDerWaalsContact C-N 3.34Å; F42-K44 PolarHBondContact O-N 3.01Å; F42-V45 PolarHBondContact O-N 3.39Å; F42-V45 VanDerWaalsContact O-N 3.15Å; F42-M46 HydrophobicContact CD1-CG 4.44Å; F42-M46 HydrophobicContact CE1-CG 4.06Å; F42-M46 HydrophobicContact CE2-CE 4.36Å; F42-M46 HydrophobicContact CE2-CG 4.47Å; F42-M46 HydrophobicContact CZ-CG 4.07Å; F42-M46 HydrophobicContact CZ-SD 4.32Å; F42-M46 WeakPolarHBondContact O-CG 3.48Å; F42-M46 PolarHBondContact O-N 2.85Å
43N96.8Very high95.1Very high38 Ų3889.2 Ų89.220%0.20342%0.424CS..Hα-helixtrans-62.4-38.3179.9-78.5-73000112.8C29 F33 E39 V45 M46 I47C29-N43 WeakPolarHBondContact SG-CB 3.34Å; F33-N43 HydrophobicContact CD2-CB 3.85Å; F33-N43 WeakPolarHBondContact CE1-ND2 3.46Å; F33-N43 HydrophobicContact CE2-CB 3.58Å; F33-N43 WeakPolarHBondContact CE2-ND2 3.49Å; F33-N43 HydrophobicContact CZ-CB 4.17Å; F33-N43 VanDerWaalsContact CZ-ND2 3.27Å; F33-N43 WeakPolarHBondContact CZ-ND2 3.42Å; F33-N43 WeakPolarHBondContact CZ-OD1 3.16Å; E39-N43 WeakPolarHBondContact O-CB 3.45Å; E39-N43 PolarHBondContact O-N 3.22Å; E39-N43 PolarHBondContact O-ND2 2.95Å; N43-V45 PolarHBondContact O-N 2.97Å; N43-M46 PolarHBondContact O-N 3.24Å; N43-I47 WeakPolarHBondContact O-CG1 3.47Å; N43-I47 PolarHBondContact O-N 3.19Å
44K97Very high95.3Very high49 Ų4990.6 Ų90.621%0.21343%0.431CS..Hα-helixtrans-63.9-38.1175.1-75.4-178.4170.9175.80113.1L26 C29 D30 T40 R41 F42 I47 R48L26-K44 HydrophobicContact CD2-CB 3.91Å; L26-K44 HydrophobicContact CD2-CD 4.24Å; L26-K44 HydrophobicContact CD2-CG 3.7Å; L26-K44 WeakPolarHBondContact O-CE 3.42Å; C29-K44 HydrophobicContact CB-CG 4.27Å; D30-K44 VanDerWaalsContact OD1-CE 3.31Å; D30-K44 WeakPolarHBondContact OD1-CE 3.41Å; D30-K44 IonicContact OD1-NZ 3.48Å; D30-K44 PolarHBondContact OD1-NZ 3.35Å; D30-K44 IonicContact OD2-NZ 2.95Å; D30-K44 PolarHBondContact OD2-NZ 3.5Å; T40-K44 HydrophobicContact CG2-CD 4.07Å; T40-K44 HydrophobicContact CG2-CG 4.48Å; T40-K44 WeakPolarHBondContact O-CB 3.48Å; T40-K44 VanDerWaalsContact O-CG 3.25Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 2.98Å; R41-K44 PolarHBondContact O-N 3.19Å; F42-K44 VanDerWaalsContact C-N 3.34Å; F42-K44 PolarHBondContact O-N 3.01Å; K44-I47 PolarHBondContact O-N 3.15Å; K44-R48 PolarHBondContact O-N 2.88Å
45V97.7Very high95.7Very high70 Ų7091.5 Ų91.542%0.42444%0.438SS..Hα-helixtrans-67-40.7175.1174.60000110.3R41 F42 N43 R48 S49R41-V45 WeakPolarHBondContact O-CG2 3.34Å; R41-V45 PolarHBondContact O-N 3.49Å; F42-V45 PolarHBondContact O-N 3.39Å; F42-V45 VanDerWaalsContact O-N 3.15Å; N43-V45 PolarHBondContact O-N 2.97Å; V45-R48 PolarHBondContact O-N 3.13Å; V45-S49 PolarHBondContact O-N 3.35Å
46M97.6Very high96Very high85 Ų8592.2 Ų92.242%0.41944%0.436SS..Hα-helixtrans-60.9-45.4174-65.8-57.7101.700111.9F42 N43 R48 S49 R50F42-M46 HydrophobicContact CD1-CG 4.44Å; F42-M46 HydrophobicContact CE1-CG 4.06Å; F42-M46 HydrophobicContact CE2-CE 4.36Å; F42-M46 HydrophobicContact CE2-CG 4.47Å; F42-M46 HydrophobicContact CZ-CG 4.07Å; F42-M46 HydrophobicContact CZ-SD 4.32Å; F42-M46 WeakPolarHBondContact O-CG 3.48Å; F42-M46 PolarHBondContact O-N 2.85Å; N43-M46 PolarHBondContact O-N 3.24Å; M46-R48 VanDerWaalsContact C-N 3.32Å; M46-R48 PolarHBondContact O-N 3.43Å; M46-S49 WeakPolarHBondContact O-CB 3.46Å; M46-S49 PolarHBondContact O-N 3.44Å; M46-R50 WeakPolarHBondContact O-CG 3.31Å; M46-R50 PolarHBondContact O-N 3.34Å; M46-R50 VanDerWaalsContact O-N 3.15Å
47I96.9Very high96Very high30 Ų3090.9 Ų90.915%0.15443%0.427CS..Hα-helixtrans-57.8-47.3173.3-68167000110Y22 A25 L26 C29 N43 K44 S49 R50 F51Y22-I47 HydrophobicContact CD2-CG2 4.43Å; Y22-I47 HydrophobicContact CE2-CG2 4.25Å; A25-I47 HydrophobicContact CB-CG2 4.11Å; L26-I47 HydrophobicContact CD2-CG2 4.29Å; C29-I47 HydrophobicContact CB-CD1 3.79Å; N43-I47 WeakPolarHBondContact O-CG1 3.47Å; N43-I47 PolarHBondContact O-N 3.19Å; K44-I47 PolarHBondContact O-N 3.15Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 2.97Å; I47-R50 WeakPolarHBondContact O-CB 3.4Å; I47-R50 PolarHBondContact O-N 2.8Å; I47-F51 HydrophobicContact CG2-CD2 3.97Å; I47-F51 HydrophobicContact CG2-CE2 3.85Å; I47-F51 WeakPolarHBondContact O-CD2 3.48Å; I47-F51 PolarHBondContact O-N 3.42Å
48R97.8Very high96.2Very high115 Ų11594.7 Ų94.743%0.43444%0.435SS..Hα-helixtrans-58.9-44.5179.3178.754.7-173.8-102.2-1.1112.3Y22 K44 V45 M46 R50 F51 D52Y22-R48 HydrophobicContact CE2-CB 4.43Å; Y22-R48 WeakPolarHBondContact OH-CD 3.45Å; K44-R48 PolarHBondContact O-N 2.88Å; V45-R48 PolarHBondContact O-N 3.13Å; M46-R48 VanDerWaalsContact C-N 3.32Å; M46-R48 PolarHBondContact O-N 3.43Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 2.79Å; R48-F51 PolarHBondContact O-N 3.02Å; R48-F51 VanDerWaalsContact O-N 3.1Å; R48-D52 WeakPolarHBondContact CD-OD2 3.42Å; R48-D52 WeakPolarHBondContact CG-OD2 3.44Å; R48-D52 IonicContact CZ-OD1 2.75Å; R48-D52 IonicContact CZ-OD2 3.65Å; R48-D52 IonicContact NE-OD1 2.95Å; R48-D52 PolarHBondContact NE-OD1 2.94Å; R48-D52 IonicContact NE-OD2 2.85Å; R48-D52 PolarHBondContact NE-OD2 2.72Å; R48-D52 IonicContact NH2-OD1 3.18Å; R48-D52 PolarHBondContact NH2-OD1 2.94Å; R48-D52 IonicContact NH2-OD2 3Å; R48-D52 PolarHBondContact O-N 3.47Å
49S97.9Very high96.2Very high55 Ų5589.9 Ų89.939%0.38542%0.417SS..Hα-helixtrans-54.7-45176.1-177.50000111.8V45 M46 I47 F51 D52 Q53V45-S49 PolarHBondContact O-N 3.35Å; M46-S49 WeakPolarHBondContact O-CB 3.46Å; M46-S49 PolarHBondContact O-N 3.44Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 2.97Å; S49-F51 VanDerWaalsContact C-N 3.34Å; S49-F51 PolarHBondContact O-N 3.11Å; S49-D52 PolarHBondContact O-N 2.61Å; S49-Q53 WeakPolarHBondContact O-CG 3.35Å; S49-Q53 PolarHBondContact O-N 3.32Å
50R96.8Very high96.2Very high122 Ų12289.9 Ų89.946%0.4643%0.425SS..Hα-helixtrans-61-38.6176.7-65.417564.8-164.6-3.8113.3M46 I47 R48 E73M46-R50 WeakPolarHBondContact O-CG 3.31Å; M46-R50 PolarHBondContact O-N 3.34Å; M46-R50 VanDerWaalsContact O-N 3.15Å; I47-R50 WeakPolarHBondContact O-CB 3.4Å; I47-R50 PolarHBondContact O-N 2.8Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 2.79Å; R50-E73 IonicContact CZ-OE1 3.76Å; R50-E73 IonicContact CZ-OE2 3.7Å; R50-E73 IonicContact NH1-OE1 2.62Å; R50-E73 PolarHBondContact NH1-OE1 3.46Å; R50-E73 IonicContact NH1-OE2 3.56Å; R50-E73 PolarHBondContact NH1-OE2 3.36Å; R50-E73 IonicContact NH2-OE1 2.81Å; R50-E73 PolarHBondContact NH2-OE1 3.15Å; R50-E73 IonicContact NH2-OE2 2.83Å; R50-E73 PolarHBondContact NH2-OE2 2.91Å
51F97.4Very high96.2Very high57 Ų5793.2 Ų93.225%0.2545%0.445CS..Hα-helixtrans-71.4-39175.8-84-100000112V18 L21 Y22 I47 R48 S49 Q53 H54 K55V18-F51 HydrophobicContact CG1-CD1 4.18Å; V18-F51 HydrophobicContact CG1-CE1 4.13Å; L21-F51 HydrophobicContact CD2-CE1 4.3Å; L21-F51 HydrophobicContact CD2-CZ 4.12Å; L21-F51 HydrophobicContact CG-CE1 4.45Å; L21-F51 HydrophobicContact CG-CZ 4.05Å; Y22-F51 HydrophobicContact CD2-CB 4.44Å; Y22-F51 HydrophobicContact CD2-CD1 4.04Å; Y22-F51 AromaticContact CD2-CD2 3.67Å; Y22-F51 HydrophobicContact CD2-CD2 3.67Å; Y22-F51 HydrophobicContact CD2-CE1 4.17Å; Y22-F51 AromaticContact CD2-CE2 3.81Å; Y22-F51 HydrophobicContact CD2-CE2 3.81Å; Y22-F51 AromaticContact CD2-CG 3.78Å; Y22-F51 HydrophobicContact CD2-CG 3.78Å; Y22-F51 HydrophobicContact CD2-CZ 4.06Å; Y22-F51 HydrophobicContact CE2-CD2 4.24Å; Y22-F51 HydrophobicContact CE2-CG 4.41Å; Y22-F51 HydrophobicContact CG-CD1 4.49Å; Y22-F51 HydrophobicContact CG-CE1 4.44Å; I47-F51 HydrophobicContact CG2-CD2 3.97Å; I47-F51 HydrophobicContact CG2-CE2 3.85Å; I47-F51 WeakPolarHBondContact O-CD2 3.48Å; I47-F51 PolarHBondContact O-N 3.42Å; R48-F51 PolarHBondContact O-N 3.02Å; R48-F51 VanDerWaalsContact O-N 3.1Å; S49-F51 VanDerWaalsContact C-N 3.34Å; S49-F51 PolarHBondContact O-N 3.11Å; F51-Q53 VanDerWaalsContact C-N 3.31Å; F51-Q53 PolarHBondContact O-N 3.28Å; F51-H54 PolarHBondContact O-N 3.38Å; F51-K55 PolarHBondContact O-N 3.36Å
52D97.5Very high96.2Very high65 Ų6588.7 Ų88.735%0.34843%0.43SS..Hα-helixtrans-67.3-31.9179.8-73.3-32.2000111.9R48 S49 H54 K55R48-D52 WeakPolarHBondContact CD-OD2 3.42Å; R48-D52 WeakPolarHBondContact CG-OD2 3.44Å; R48-D52 IonicContact CZ-OD1 2.75Å; R48-D52 IonicContact CZ-OD2 3.65Å; R48-D52 IonicContact NE-OD1 2.95Å; R48-D52 PolarHBondContact NE-OD1 2.94Å; R48-D52 IonicContact NE-OD2 2.85Å; R48-D52 PolarHBondContact NE-OD2 2.72Å; R48-D52 IonicContact NH2-OD1 3.18Å; R48-D52 PolarHBondContact NH2-OD1 2.94Å; R48-D52 IonicContact NH2-OD2 3Å; R48-D52 PolarHBondContact O-N 3.47Å; S49-D52 PolarHBondContact O-N 2.61Å; D52-H54 PolarHBondContact O-N 3.23Å; D52-K55 WeakPolarHBondContact O-CB 3.48Å; D52-K55 PolarHBondContact O-N 2.86Å
53Q96.7Very high96.1Very high131 Ų13185.9 Ų85.961%0.61242%0.418SS*.Hα-helixtrans-56.1-31174.2-75.71701.500113.7S49 F51S49-Q53 WeakPolarHBondContact O-CG 3.35Å; S49-Q53 PolarHBondContact O-N 3.32Å; F51-Q53 VanDerWaalsContact C-N 3.31Å; F51-Q53 PolarHBondContact O-N 3.28Å
54H95.1Very high95.9Very high80 Ų8089.9 Ų89.937%0.3744%0.435SS..THydrogen-bonded Turntrans-111.414.8-178.1-63.6-64.2000113.6F51 D52 D56 E57 L66F51-H54 PolarHBondContact O-N 3.38Å; D52-H54 PolarHBondContact O-N 3.23Å; H54-D56 VanDerWaalsContact C-N 3.33Å; H54-D56 PolarHBondContact O-N 3.27Å; H54-E57 HydrophobicContact CB-CG 3.87Å; H54-E57 IonicContact CE1-OE1 3.53Å; H54-E57 IonicContact ND1-OE1 2.94Å; H54-E57 PolarHBondContact ND1-OE1 2.83Å; H54-E57 VanDerWaalsContact O-CG 3.29Å; H54-E57 WeakPolarHBondContact O-CG 3.37Å; H54-L66 HydrophobicContact CB-CD1 3.98Å
55K93.8Very high95.9Very high146 Ų14692.8 Ų92.864%0.63545%0.449SS*.THydrogen-bonded Turntrans-63.8-38.4-176.2-177.6-176.4171.3-164.50112.8F51 D52F51-K55 PolarHBondContact O-N 3.36Å; D52-K55 WeakPolarHBondContact O-CB 3.48Å; D52-K55 PolarHBondContact O-N 2.86Å
56D94.6Very high95.8Very high136 Ų13691.9 Ų91.973%0.72744%0.442SS*.THydrogen-bonded Turntrans-100.616.3-173.1-59.7-43.1000113.5H54 K58H54-D56 VanDerWaalsContact C-N 3.33Å; H54-D56 PolarHBondContact O-N 3.27Å; D56-K58 PolarHBondContact O-N 3.29Å
57E94.4Very high95.6Very high44 Ų4488.2 Ų88.221%0.20642%0.424CS..  trans-58.5135.1173.4-65-72.2-178.300109.7H54 K62 K63 L66H54-E57 HydrophobicContact CB-CG 3.87Å; H54-E57 IonicContact CE1-OE1 3.53Å; H54-E57 IonicContact ND1-OE1 2.94Å; H54-E57 PolarHBondContact ND1-OE1 2.83Å; H54-E57 VanDerWaalsContact O-CG 3.29Å; H54-E57 WeakPolarHBondContact O-CG 3.37Å; E57-K62 WeakPolarHBondContact OE1-CE 3.49Å; E57-K62 IonicContact OE1-NZ 2.83Å; E57-K62 PolarHBondContact OE1-NZ 3.19Å; E57-K62 WeakPolarHBondContact OE2-CD 3.49Å; E57-K62 WeakPolarHBondContact OE2-CE 3.48Å; E57-K62 IonicContact OE2-NZ 3.23Å; E57-K62 PolarHBondContact OE2-NZ 3.4Å; E57-K63 HydrophobicContact CB-CG 4.39Å; E57-K63 WeakPolarHBondContact O-CE 3.32Å; E57-K63 PolarHBondContact O-NZ 2.9Å; E57-L66 HydrophobicContact CG-CD1 4.17Å
58K94.6Very high95.5Very high188 Ų18891.1 Ų91.182%0.81744%0.439SS*.  trans-102.4-35.6-178.9-67.5-175.5-178177.20112.8D56D56-K58 PolarHBondContact O-N 3.29Å
59D96.4Very high95.4Very high77 Ų7790 Ų9041%0.41244%0.442SS..  trans-64.1119.4-176.6176.114000111.8V61 K62 K63D59-V61 VanDerWaalsContact C-N 3.3Å; D59-V61 PolarHBondContact O-N 3.35Å; D59-V61 PolarHBondContact OD1-N 2.97Å; D59-K62 HydrophobicContact CB-CB 3.96Å; D59-K62 WeakPolarHBondContact OD2-CB 3.48Å; D59-K62 PolarHBondContact OD2-N 3.43Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 2.94Å; D59-K63 VanDerWaalsContact O-N 3.09Å
60P94Very high95.2Very high88 Ų8888.3 Ų88.357%0.57143%0.433SS*.Hα-helixtrans-64-31.5178.626.9-35.7000113.5Q64P60-Q64 WeakPolarHBondContact O-CG 3.3Å; P60-Q64 PolarHBondContact O-N 2.9Å
61V95.2Very high95.1Very high82 Ų8283.3 Ų83.350%0.49742%0.415SS..Hα-helixtrans-70.6-51.1-1791800000109.3D59 K63 Q64 Q65D59-V61 VanDerWaalsContact C-N 3.3Å; D59-V61 PolarHBondContact O-N 3.35Å; D59-V61 PolarHBondContact OD1-N 2.97Å; V61-K63 VanDerWaalsContact C-N 3.28Å; V61-K63 PolarHBondContact O-N 3.46Å; V61-Q64 PolarHBondContact O-N 3.45Å; V61-Q65 WeakPolarHBondContact O-CG 3.38Å; V61-Q65 PolarHBondContact O-N 3.39Å
62K95.7Very high94.9Very high76 Ų7688.4 Ų88.433%0.3343%0.433SS..Hα-helixtrans-56.9-39.5175.3-169.2178.6178-163.20112.6E57 D59 Q64 Q65 L66E57-K62 WeakPolarHBondContact OE1-CE 3.49Å; E57-K62 IonicContact OE1-NZ 2.83Å; E57-K62 PolarHBondContact OE1-NZ 3.19Å; E57-K62 WeakPolarHBondContact OE2-CD 3.49Å; E57-K62 WeakPolarHBondContact OE2-CE 3.48Å; E57-K62 IonicContact OE2-NZ 3.23Å; E57-K62 PolarHBondContact OE2-NZ 3.4Å; D59-K62 HydrophobicContact CB-CB 3.96Å; D59-K62 WeakPolarHBondContact OD2-CB 3.48Å; D59-K62 PolarHBondContact OD2-N 3.43Å; K62-Q64 VanDerWaalsContact C-N 3.34Å; K62-Q64 PolarHBondContact O-N 3.26Å; K62-Q65 PolarHBondContact O-N 2.91Å; K62-L66 HydrophobicContact CG-CD1 4.12Å; K62-L66 HydrophobicContact CG-CG 4.38Å; K62-L66 WeakPolarHBondContact O-CB 3.38Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.31Å; K62-L66 PolarHBondContact O-N 3.07Å
63K94.8Very high94.8Very high70 Ų7087.6 Ų87.630%0.30443%0.427SS..Hα-helixtrans-57.7-44174-80.4176.9-174.5174.20113.1H14 E57 D59 V61 L67H14-K63 PolarHBondContact CE1-O 2.97Å; E57-K63 HydrophobicContact CB-CG 4.39Å; E57-K63 WeakPolarHBondContact O-CE 3.32Å; E57-K63 PolarHBondContact O-NZ 2.9Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 2.94Å; D59-K63 VanDerWaalsContact O-N 3.09Å; V61-K63 VanDerWaalsContact C-N 3.28Å; V61-K63 PolarHBondContact O-N 3.46Å; K63-L67 WeakPolarHBondContact O-CB 3.49Å; K63-L67 PolarHBondContact O-N 3.04Å; K63-L67 VanDerWaalsContact O-N 3.14Å
64Q93Very high94.6Very high122 Ų12283 Ų8357%0.5741%0.406SS*.Hα-helixtrans-69.2-41179.4-70.6179.7800111.3P60 V61 K62 L67 L68P60-Q64 WeakPolarHBondContact O-CG 3.3Å; P60-Q64 PolarHBondContact O-N 2.9Å; V61-Q64 PolarHBondContact O-N 3.45Å; K62-Q64 VanDerWaalsContact C-N 3.34Å; K62-Q64 PolarHBondContact O-N 3.26Å; Q64-L67 PolarHBondContact O-N 3.47Å; Q64-L68 WeakPolarHBondContact O-CB 3.41Å; Q64-L68 PolarHBondContact O-N 3.02Å
65Q95.3Very high94.4Very high109 Ų10984.5 Ų84.551%0.50941%0.409SS..Hα-helixtrans-60.9-51.7175.6-71174.3-15.600111.4V61 K62 L67 L68 D69V61-Q65 WeakPolarHBondContact O-CG 3.38Å; V61-Q65 PolarHBondContact O-N 3.39Å; K62-Q65 PolarHBondContact O-N 2.91Å; Q65-L67 VanDerWaalsContact C-N 3.25Å; Q65-L67 PolarHBondContact O-N 2.97Å; Q65-L68 WeakPolarHBondContact O-CA 3.37Å; Q65-L68 WeakPolarHBondContact O-CB 3.44Å; Q65-L68 PolarHBondContact O-N 3.3Å; Q65-D69 VanDerWaalsContact O-CG 3.3Å; Q65-D69 PolarHBondContact O-N 3.4Å
66L96.1Very high94.4Very high51 Ų5183.3 Ų83.327%0.26741%0.406SS..Hα-helixtrans-56.9-38.7177.3-72.4170.3000112.7H54 E57 K62 G70H54-L66 HydrophobicContact CB-CD1 3.98Å; E57-L66 HydrophobicContact CG-CD1 4.17Å; K62-L66 HydrophobicContact CG-CD1 4.12Å; K62-L66 HydrophobicContact CG-CG 4.38Å; K62-L66 WeakPolarHBondContact O-CB 3.38Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.31Å; K62-L66 PolarHBondContact O-N 3.07Å; L66-G70 PolarHBondContact O-N 3.38Å
67L94.3Very high94.3Very high8 Ų882 Ų824%0.04239%0.393CS..Hα-helixtrans-65.7-43.1175.417963.1000111.5Y7 K17 V18 L21 K63 Q64 Q65 L71Y7-L67 HydrophobicContact CD2-CD2 4.15Å; Y7-L67 HydrophobicContact CD2-CG 4.39Å; Y7-L67 HydrophobicContact CE2-CD2 3.78Å; Y7-L67 HydrophobicContact CE2-CG 4Å; K17-L67 HydrophobicContact CB-CD1 4.49Å; K17-L67 HydrophobicContact CB-CD2 3.86Å; K17-L67 HydrophobicContact CD-CD2 4.31Å; V18-L67 HydrophobicContact CG2-CD1 4.17Å; L21-L67 HydrophobicContact CB-CD1 4.24Å; L21-L67 HydrophobicContact CD2-CD1 3.88Å; K63-L67 WeakPolarHBondContact O-CB 3.49Å; K63-L67 PolarHBondContact O-N 3.04Å; K63-L67 VanDerWaalsContact O-N 3.14Å; Q64-L67 PolarHBondContact O-N 3.47Å; Q65-L67 VanDerWaalsContact C-N 3.25Å; Q65-L67 PolarHBondContact O-N 2.97Å; L67-L71 HydrophobicContact CD1-CD1 4.5Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.44Å; L67-L71 PolarHBondContact O-N 3.41Å
68L93.5Very high94Very high92 Ų9284.8 Ų84.848%0.48240%0.402SS..Hα-helixtrans-65.9-44.1177.9-175.865.5000111.5Y7 Q64 Q65 G70 L71 R72Y7-L68 HydrophobicContact CE1-CD1 4.36Å; Q64-L68 WeakPolarHBondContact O-CB 3.41Å; Q64-L68 PolarHBondContact O-N 3.02Å; Q65-L68 WeakPolarHBondContact O-CA 3.37Å; Q65-L68 WeakPolarHBondContact O-CB 3.44Å; Q65-L68 PolarHBondContact O-N 3.3Å; L68-G70 VanDerWaalsContact C-N 3.35Å; L68-G70 PolarHBondContact O-N 3.44Å; L68-L71 WeakPolarHBondContact O-CB 3.25Å; L68-L71 PolarHBondContact O-N 3.33Å; L68-R72 PolarHBondContact O-N 2.9Å
69D95.5Very high93.8Very high92 Ų9278.2 Ų78.249%0.49237%0.374SS..Hα-helixtrans-62-43.7177.1-67.6-22.6000111Q65 L71 R72 E73Q65-D69 VanDerWaalsContact O-CG 3.3Å; Q65-D69 PolarHBondContact O-N 3.4Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.45Å; D69-R72 WeakPolarHBondContact O-CB 3.37Å; D69-R72 PolarHBondContact O-N 3.41Å; D69-E73 PolarHBondContact O-N 3.25Å
70G94.8Very high93.4Very high18 Ų1880.4 Ų80.419%0.18639%0.392CS..Hα-helixtrans-63.7-36.1174.900000113.2L66 L68 L74L66-G70 PolarHBondContact O-N 3.38Å; L68-G70 VanDerWaalsContact C-N 3.35Å; L68-G70 PolarHBondContact O-N 3.44Å; G70-L74 VanDerWaalsContact O-CB 3.31Å; G70-L74 WeakPolarHBondContact O-CB 3.49Å; G70-L74 PolarHBondContact O-N 3.14Å
71L93.6Very high92.8Very high17 Ų1782.1 Ų82.19%0.08940%0.397CS..Hα-helixtrans-68.7-38.9174.2-72.7166.5000112P4 W6 Y7 L21 L67 L68 D69 L74 W75P4-L71 HydrophobicContact CG-CD2 3.8Å; W6-L71 HydrophobicContact CH2-CD2 3.69Å; W6-L71 HydrophobicContact CZ2-CD2 3.9Å; Y7-L71 HydrophobicContact CD1-CD1 4.35Å; Y7-L71 HydrophobicContact CD2-CD1 3.22Å; Y7-L71 HydrophobicContact CE2-CD1 3.62Å; Y7-L71 HydrophobicContact CG-CD1 3.63Å; L21-L71 HydrophobicContact CD1-CD2 3.75Å; L21-L71 HydrophobicContact CD1-CG 4.12Å; L67-L71 HydrophobicContact CD1-CD1 4.5Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.44Å; L67-L71 PolarHBondContact O-N 3.41Å; L68-L71 WeakPolarHBondContact O-CB 3.25Å; L68-L71 PolarHBondContact O-N 3.33Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.48Å; L71-W75 WeakPolarHBondContact O-CB 3.45Å; L71-W75 PolarHBondContact O-N 3.29Å
72R93.9Very high92.2Very high164 Ų16480.9 Ų80.962%0.61939%0.39SS*.Hα-helixtrans-63.1-49174.4-179.7-178.7174.2172.62111L68 D69 L74 W75 E76L68-R72 PolarHBondContact O-N 2.9Å; D69-R72 WeakPolarHBondContact O-CB 3.37Å; D69-R72 PolarHBondContact O-N 3.41Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-L74 PolarHBondContact O-N 3Å; R72-W75 WeakPolarHBondContact O-CB 3.27Å; R72-W75 PolarHBondContact O-N 3.45Å; R72-W75 VanDerWaalsContact O-N 3.07Å; R72-E76 WeakPolarHBondContact CG-OE1 3.39Å; R72-E76 IonicContact CZ-OE1 2.8Å; R72-E76 IonicContact NE-OE1 3.89Å; R72-E76 PolarHBondContact NE-OE1 3.44Å; R72-E76 IonicContact NH2-OE1 3.72Å; R72-E76 WeakPolarHBondContact O-CG 3.46Å; R72-E76 PolarHBondContact O-N 3.22Å
73E95.1Very high91.1Very high49 Ų4981.4 Ų81.423%0.22939%0.393CS..Hα-helixtrans-59.4-43.8176.4-176.9-174.6173.400111.2R50 D69 W75 E76 K77R50-E73 IonicContact CZ-OE1 3.76Å; R50-E73 IonicContact CZ-OE2 3.7Å; R50-E73 IonicContact NH1-OE1 2.62Å; R50-E73 PolarHBondContact NH1-OE1 3.46Å; R50-E73 IonicContact NH1-OE2 3.56Å; R50-E73 PolarHBondContact NH1-OE2 3.36Å; R50-E73 IonicContact NH2-OE1 2.81Å; R50-E73 PolarHBondContact NH2-OE1 3.15Å; R50-E73 IonicContact NH2-OE2 2.83Å; R50-E73 PolarHBondContact NH2-OE2 2.91Å; D69-E73 PolarHBondContact O-N 3.25Å; E73-W75 PolarHBondContact O-N 3.25Å; E73-E76 PolarHBondContact O-N 3.15Å; E73-K77 HydrophobicContact CG-CD 3.93Å; E73-K77 HydrophobicContact CG-CG 4.46Å; E73-K77 WeakPolarHBondContact O-CB 3.36Å; E73-K77 WeakPolarHBondContact O-CG 3.39Å; E73-K77 PolarHBondContact O-N 3.03Å; E73-K77 IonicContact OE1-NZ 3.95Å; E73-K77 PolarHBondContact OE1-NZ 3.31Å
74L92.7Very high89.5Confident33 Ų3380 Ų8017%0.17339%0.394CS..Hα-helixtrans-59.3-39.2176.3-174.478.1000111.3L21 A24 A25 L28 G70 L71 R72 R78L21-L74 HydrophobicContact CD1-CB 4.27Å; L21-L74 HydrophobicContact CD1-CD2 4.08Å; A24-L74 HydrophobicContact CB-CD1 4.28Å; A24-L74 HydrophobicContact CB-CD2 3.64Å; A25-L74 HydrophobicContact CB-CD1 4.37Å; L28-L74 HydrophobicContact CB-CD1 4.24Å; L28-L74 HydrophobicContact CD2-CD1 3.71Å; G70-L74 VanDerWaalsContact O-CB 3.31Å; G70-L74 WeakPolarHBondContact O-CB 3.49Å; G70-L74 PolarHBondContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 3.48Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-L74 PolarHBondContact O-N 3Å; L74-R78 WeakPolarHBondContact O-CG 3.47Å; L74-R78 PolarHBondContact O-N 3.08Å
75W90.5Very high87.4Confident113 Ų11376.3 Ų76.343%0.42838%0.381SS..Hα-helixtrans-69.7-41.8178.7-178.8-94.2000113M1 L71 R72 E73 R78M1-W75 WeakPolarHBondContact O-CZ3 3.27Å; L71-W75 WeakPolarHBondContact O-CB 3.45Å; L71-W75 PolarHBondContact O-N 3.29Å; R72-W75 WeakPolarHBondContact O-CB 3.27Å; R72-W75 PolarHBondContact O-N 3.45Å; R72-W75 VanDerWaalsContact O-N 3.07Å; E73-W75 PolarHBondContact O-N 3.25Å; W75-R78 VanDerWaalsContact CD2-NE 3.34Å; W75-R78 VanDerWaalsContact CE3-CZ 3.45Å; W75-R78 VanDerWaalsContact CZ2-CZ 3.43Å; W75-R78 VanDerWaalsContact CZ2-NH2 3.26Å; W75-R78 VanDerWaalsContact O-CG 3.3Å; W75-R78 WeakPolarHBondContact O-CG 3.43Å; W75-R78 PolarHBondContact O-NE 3.02Å
76E93.8Very high85.1Confident121 Ų12171.3 Ų71.357%0.56536%0.359SS*.Hα-helixtrans-67.5-38.3178.3-71.3171.7-178.300111.3R72 E73 R78R72-E76 WeakPolarHBondContact CG-OE1 3.39Å; R72-E76 IonicContact CZ-OE1 2.8Å; R72-E76 IonicContact NE-OE1 3.89Å; R72-E76 PolarHBondContact NE-OE1 3.44Å; R72-E76 IonicContact NH2-OE1 3.72Å; R72-E76 WeakPolarHBondContact O-CG 3.46Å; R72-E76 PolarHBondContact O-N 3.22Å; E73-E76 PolarHBondContact O-N 3.15Å; E76-R78 VanDerWaalsContact C-N 3.34Å; E76-R78 PolarHBondContact O-N 3.03Å
77K92.7Very high82.8Confident109 Ų10971.3 Ų71.347%0.47437%0.366SS..THydrogen-bonded Turntrans-89.616.6-178.7-64.2-176.8179.1174.80114.4L28 Y32 E73 H79L28-K77 WeakPolarHBondContact CD1-O 3.25Å; L28-K77 HydrophobicContact CD2-CB 4.06Å; L28-K77 WeakPolarHBondContact CD2-O 3.31Å; Y32-K77 VanDerWaalsContact CE2-O 3.3Å; Y32-K77 WeakPolarHBondContact CE2-O 3.47Å; Y32-K77 PolarHBondContact OH-O 3.21Å; Y32-K77 VanDerWaalsContact OH-O 3.14Å; E73-K77 HydrophobicContact CG-CD 3.93Å; E73-K77 HydrophobicContact CG-CG 4.46Å; E73-K77 WeakPolarHBondContact O-CB 3.36Å; E73-K77 WeakPolarHBondContact O-CG 3.39Å; E73-K77 PolarHBondContact O-N 3.03Å; E73-K77 IonicContact OE1-NZ 3.95Å; E73-K77 PolarHBondContact OE1-NZ 3.31Å; K77-H79 PolarHBondContact O-N 3.02Å
78R89.6Confident80.8Confident101 Ų10177.3 Ų77.338%0.38139%0.392SS..  trans-62.5135.1-175.9-73.2177.5-62.6147.611.8111.5Y32 L74 W75 E76Y32-R78 PolarHBondContact OH-O 3.5Å; L74-R78 WeakPolarHBondContact O-CG 3.47Å; L74-R78 PolarHBondContact O-N 3.08Å; W75-R78 VanDerWaalsContact CD2-NE 3.34Å; W75-R78 VanDerWaalsContact CE3-CZ 3.45Å; W75-R78 VanDerWaalsContact CZ2-CZ 3.43Å; W75-R78 VanDerWaalsContact CZ2-NH2 3.26Å; W75-R78 VanDerWaalsContact O-CG 3.3Å; W75-R78 WeakPolarHBondContact O-CG 3.43Å; W75-R78 PolarHBondContact O-NE 3.02Å; E76-R78 VanDerWaalsContact C-N 3.34Å; E76-R78 PolarHBondContact O-N 3.03Å
79H88.7Confident79.1Confident50 Ų5075.6 Ų75.623%0.23140%0.396CS..  trans-72.3133.4171.7-163.3-90.5000109.8L28 Y32 K77 N81 P82L28-H79 HydrophobicContact CD1-CB 3.98Å; Y32-H79 AromaticContact CD1-CD2 3.59Å; Y32-H79 HydrophobicContact CD2-CB 4.3Å; Y32-H79 AromaticContact CD2-CD2 3.91Å; Y32-H79 AromaticContact CE1-CD2 3.48Å; Y32-H79 VanDerWaalsContact CE1-CD2 3.48Å; Y32-H79 WeakPolarHBondContact CE1-CD2 3.43Å; Y32-H79 HydrophobicContact CE2-CB 3.75Å; Y32-H79 AromaticContact CE2-CD2 3.8Å; Y32-H79 AromaticContact CG-CD2 3.8Å; Y32-H79 AromaticContact CZ-CD2 3.58Å; Y32-H79 WeakPolarHBondContact OH-CA 3.32Å; K77-H79 PolarHBondContact O-N 3.02Å; H79-N81 VanDerWaalsContact C-N 3.31Å; H79-N81 PolarHBondContact CE1-O 2.96Å; H79-N81 VanDerWaalsContact CE1-O 3.22Å; H79-N81 PolarHBondContact ND1-N 3.39Å; H79-N81 PolarHBondContact ND1-O 2.87Å; H79-N81 PolarHBondContact O-N 3.38Å; H79-P82 WeakPolarHBondContact O-CD 3.28Å
80P87.9Confident77.8Confident123 Ų12374 Ų7480%0.79939%0.388SS*.SBendtrans-65.1-33.9-17823.8-33.6000112.9
81N83Confident77.1Confident125 Ų12575.3 Ų75.367%0.66839%0.393SS*.SBendtrans-124.674.8174.6-17514.5000109.1H79H79-N81 VanDerWaalsContact C-N 3.31Å; H79-N81 PolarHBondContact CE1-O 2.96Å; H79-N81 VanDerWaalsContact CE1-O 3.22Å; H79-N81 PolarHBondContact ND1-N 3.39Å; H79-N81 PolarHBondContact ND1-O 2.87Å; H79-N81 PolarHBondContact O-N 3.38Å
82P81.6Confident76.6Confident55 Ų5580 Ų8036%0.35741%0.41SS..  trans-55.3150-176.726.8-33.8000108.8H79 A84H79-P82 WeakPolarHBondContact O-CD 3.28Å; P82-A84 PolarHBondContact O-N 3.08Å
83F73.4Confident76Confident88 Ų8873 Ų7339%0.38639%0.385SS..  trans-66.184.4179.6-166.2-126.7000108.6S31 C85 A86S31-F83 PolarHBondContact OG-N 3.33Å; S31-F83 VanDerWaalsContact OG-N 3.08Å; F83-C85 VanDerWaalsContact C-N 3.28Å; F83-C85 PolarHBondContact O-N 3.27Å; F83-A86 HydrophobicContact CB-CB 4.3Å; F83-A86 HydrophobicContact CD1-CB 3.02Å; F83-A86 HydrophobicContact CE1-CB 3.44Å; F83-A86 VanDerWaalsContact CE1-CB 3.44Å; F83-A86 HydrophobicContact CG-CB 3.95Å; F83-A86 WeakPolarHBondContact O-CA 3.46Å; F83-A86 WeakPolarHBondContact O-CB 3.27Å; F83-A86 PolarHBondContact O-N 3.4Å
84A60.3Low75.2Confident39 Ų3974 Ų7432%0.32240%0.395SS..G310 helixtrans-70.1-29.1-165.100000111.3P82 A86P82-A84 PolarHBondContact O-N 3.08Å; A84-A86 PolarHBondContact O-N 3.3Å
85C50.1Low74.5Confident45 Ų4582.1 Ų82.130%0.30443%0.425SS..G310 helixtrans-63.8-3.5168.1-60.10000113.4F83 G89 N90F83-C85 VanDerWaalsContact C-N 3.28Å; F83-C85 PolarHBondContact O-N 3.27Å; C85-G89 CarbonylContact O-C 3.48Å; C85-G89 VanDerWaalsContact O-CA 3.27Å; C85-G89 WeakPolarHBondContact O-CA 3.28Å; C85-N90 PolarHBondContact O-N 2.94Å
86A45.9Very low74Confident5 Ų577.2 Ų77.24%0.04141%0.41CS..G310 helixtrans-130.220.8-169.400000118.1R27 F83 A84 K88R27-A86 WeakPolarHBondContact CD-O 3.35Å; R27-A86 VanDerWaalsContact CZ-O 3.26Å; R27-A86 PolarHBondContact NE-O 2.68Å; R27-A86 PolarHBondContact NH1-O 3.41Å; F83-A86 HydrophobicContact CB-CB 4.3Å; F83-A86 HydrophobicContact CD1-CB 3.02Å; F83-A86 HydrophobicContact CE1-CB 3.44Å; F83-A86 VanDerWaalsContact CE1-CB 3.44Å; F83-A86 HydrophobicContact CG-CB 3.95Å; F83-A86 WeakPolarHBondContact O-CA 3.46Å; F83-A86 WeakPolarHBondContact O-CB 3.27Å; F83-A86 PolarHBondContact O-N 3.4Å; A84-A86 PolarHBondContact O-N 3.3Å; A86-K88 PolarHBondContact O-N 3.35Å; A86-K88 VanDerWaalsContact O-N 3.15Å
87A47.8Very low73.6Confident51 Ų5175.9 Ų75.942%0.42141%0.413SS..SBendtrans-55-30.1161.400000111.1R27R27-A87 VanDerWaalsContact CZ-O 3.27Å; R27-A87 PolarHBondContact NE-O 3.11Å; R27-A87 VanDerWaalsContact NE-O 3.08Å; R27-A87 PolarHBondContact NH2-O 3.24Å
88K51.7Low73.3Confident134 Ų13471 Ų7158%0.58339%0.393SS*.SBendtrans-132.91162.4-60.6176.2-169.3159.20117.1A86 N90 D93A86-K88 PolarHBondContact O-N 3.35Å; A86-K88 VanDerWaalsContact O-N 3.15Å; K88-N90 HydrophobicContact CB-CB 4.2Å; K88-D93 WeakPolarHBondContact CB-OD2 3.42Å; K88-D93 WeakPolarHBondContact CD-OD1 3.22Å; K88-D93 WeakPolarHBondContact CD-OD2 3.47Å; K88-D93 WeakPolarHBondContact CG-OD2 3.42Å; K88-D93 PolarHBondContact N-OD2 3.22Å; K88-D93 IonicContact NZ-OD1 3.56Å
89G58.3Low73.2Confident55 Ų5573.1 Ų73.157%0.56740%0.402SS*.SBendtrans77.412.4-166.400000111.7C85C85-G89 CarbonylContact O-C 3.48Å; C85-G89 VanDerWaalsContact O-CA 3.27Å; C85-G89 WeakPolarHBondContact O-CA 3.28Å
90N69.3Low73.1Confident60 Ų6073.4 Ų73.432%0.32142%0.418SS..  trans-108.2113.2-178.2-174.4-10000108.2C85 K88 Y92 D93C85-N90 PolarHBondContact O-N 2.94Å; K88-N90 HydrophobicContact CB-CB 4.2Å; N90-Y92 PolarHBondContact O-N 3.36Å; N90-Y92 VanDerWaalsContact O-N 3.11Å; N90-Y92 VanDerWaalsContact OD1-CB 3.27Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.49Å; N90-Y92 WeakPolarHBondContact OD1-CD2 3.06Å; N90-Y92 PolarHBondContact OD1-N 3.08Å; N90-D93 PolarHBondContact O-N 2.62Å; N90-D93 VanDerWaalsContact O-N 3.11Å
91P79.1Confident73.3Confident44 Ų4474.4 Ų74.429%0.28641%0.406SS..THydrogen-bonded Turntrans-65-12.9178.630.3-37.2000112.9G96 A98 Y99P91-G96 CarbonylContact O-C 3.44Å; P91-G96 WeakPolarHBondContact O-CA 3.41Å; P91-A98 HydrophobicContact CB-CB 3.81Å; P91-A98 HydrophobicContact CG-CB 4.3Å; P91-A98 CarbonylContact O-C 3.25Å; P91-A98 VanDerWaalsContact O-C 3.25Å; P91-A98 VanDerWaalsContact O-CA 3.32Å; P91-A98 WeakPolarHBondContact O-CA 3.17Å; P91-A98 WeakPolarHBondContact O-CB 3.44Å; P91-A98 PolarHBondContact O-N 2.85Å; P91-Y99 PolarHBondContact O-N 2.96Å; P91-Y99 VanDerWaalsContact O-N 3.14Å
92Y83Confident73.5Confident117 Ų11776.3 Ų76.346%0.45941%0.405SS..THydrogen-bonded Turntrans-88.4-3.9176.2-52.8-71.4000114N90 A98 Y99 R101 Y102N90-Y92 PolarHBondContact O-N 3.36Å; N90-Y92 VanDerWaalsContact O-N 3.11Å; N90-Y92 VanDerWaalsContact OD1-CB 3.27Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.49Å; N90-Y92 WeakPolarHBondContact OD1-CD2 3.06Å; N90-Y92 PolarHBondContact OD1-N 3.08Å; Y92-A98 HydrophobicContact CD1-CB 3.78Å; Y92-A98 VanDerWaalsContact CD1-O 3.29Å; Y92-A98 WeakPolarHBondContact CD1-O 3.4Å; Y92-A98 HydrophobicContact CE1-CB 3.74Å; Y92-Y99 WeakPolarHBondContact O-CD2 3.14Å; Y92-R101 HydrophobicContact CE1-CB 4.36Å; Y92-Y102 AromaticContact CE1-CD2 3.73Å; Y92-Y102 HydrophobicContact CE1-CD2 3.73Å; Y92-Y102 AromaticContact CE1-CE2 3.91Å; Y92-Y102 HydrophobicContact CE1-CE2 3.91Å
93D81.2Confident73.7Confident15 Ų1578.8 Ų78.88%0.0842%0.421CS..SBendtrans-65.1156171.2-82.5-23.6000110.5K88 N90 Y95 G96 Y99K88-D93 WeakPolarHBondContact CB-OD2 3.42Å; K88-D93 WeakPolarHBondContact CD-OD1 3.22Å; K88-D93 WeakPolarHBondContact CD-OD2 3.47Å; K88-D93 WeakPolarHBondContact CG-OD2 3.42Å; K88-D93 PolarHBondContact N-OD2 3.22Å; K88-D93 IonicContact NZ-OD1 3.56Å; N90-D93 PolarHBondContact O-N 2.62Å; N90-D93 VanDerWaalsContact O-N 3.11Å; D93-Y95 PolarHBondContact O-N 3.23Å; D93-G96 PolarHBondContact O-N 3.22Å; D93-Y99 WeakPolarHBondContact O-CB 3.39Å; D93-Y99 WeakPolarHBondContact O-CD2 3.48Å
94P79.6Confident74.3Confident70 Ų7083.4 Ų83.446%0.45544%0.444SS..THydrogen-bonded Turntrans-49135.1171.4-26.834.8000111.8G96 Y99P94-G96 PolarHBondContact O-N 2.74Å; P94-Y99 VanDerWaalsContact CA-CD2 3.43Å; P94-Y99 HydrophobicContact CB-CD2 4.38Å; P94-Y99 HydrophobicContact CB-CE2 4.09Å; P94-Y99 HydrophobicContact CG-CD2 4.39Å; P94-Y99 HydrophobicContact CG-CE2 3.86Å
95Y76.3Confident75.6Confident205 Ų20586.1 Ų86.180%0.80446%0.458SS*.THydrogen-bonded Turntrans710.8-174.7-42.4-75000116.4D93D93-Y95 PolarHBondContact O-N 3.23Å
96G81.2Confident77.6Confident10 Ų1087.7 Ų87.710%0.10347%0.47CS..SBendtrans-72.9158.917000000112.6P91 D93 P94 A98 Y99P91-G96 CarbonylContact O-C 3.44Å; P91-G96 WeakPolarHBondContact O-CA 3.41Å; D93-G96 PolarHBondContact O-N 3.22Å; P94-G96 PolarHBondContact O-N 2.74Å; G96-A98 PolarHBondContact O-N 3.43Å; G96-Y99 WeakPolarHBondContact O-CB 3.09Å; G96-Y99 PolarHBondContact O-N 3.4Å; G96-Y99 VanDerWaalsContact O-N 3.13Å
97C84.7Confident79.7Confident93 Ų9392 Ų9263%0.62849%0.492SS*.THydrogen-bonded Turntrans-69.3-9.5-179.665.30000114.7R101C97-R101 PolarHBondContact O-NH2 2.81Å; C97-R101 VanDerWaalsContact O-NH2 3.15Å
98A87.6Confident81.8Confident6 Ų692.5 Ų92.55%0.0549%0.493CS..THydrogen-bonded Turntrans-118.113.4173.400000112.2P91 Y92 G96 G100 R101P91-A98 HydrophobicContact CB-CB 3.81Å; P91-A98 HydrophobicContact CG-CB 4.3Å; P91-A98 CarbonylContact O-C 3.25Å; P91-A98 VanDerWaalsContact O-C 3.25Å; P91-A98 VanDerWaalsContact O-CA 3.32Å; P91-A98 WeakPolarHBondContact O-CA 3.17Å; P91-A98 WeakPolarHBondContact O-CB 3.44Å; P91-A98 PolarHBondContact O-N 2.85Å; Y92-A98 HydrophobicContact CD1-CB 3.78Å; Y92-A98 VanDerWaalsContact CD1-O 3.29Å; Y92-A98 WeakPolarHBondContact CD1-O 3.4Å; Y92-A98 HydrophobicContact CE1-CB 3.74Å; G96-A98 PolarHBondContact O-N 3.43Å; A98-G100 PolarHBondContact O-N 3.47Å; A98-R101 HydrophobicContact CB-CB 4.15Å; A98-R101 VanDerWaalsContact CB-NE 3.33Å; A98-R101 WeakPolarHBondContact O-CB 3.27Å; A98-R101 PolarHBondContact O-N 3.01Å
99Y86.5Confident83.6Confident146 Ų14689.5 Ų89.557%0.57348%0.482SS*.THydrogen-bonded Turntrans-57.3124.9176.3-178.6-114.9000110.4P91 Y92 D93 P94 G96 R101P91-Y99 PolarHBondContact O-N 2.96Å; P91-Y99 VanDerWaalsContact O-N 3.14Å; Y92-Y99 WeakPolarHBondContact O-CD2 3.14Å; D93-Y99 WeakPolarHBondContact O-CB 3.39Å; D93-Y99 WeakPolarHBondContact O-CD2 3.48Å; P94-Y99 VanDerWaalsContact CA-CD2 3.43Å; P94-Y99 HydrophobicContact CB-CD2 4.38Å; P94-Y99 HydrophobicContact CB-CE2 4.09Å; P94-Y99 HydrophobicContact CG-CD2 4.39Å; P94-Y99 HydrophobicContact CG-CE2 3.86Å; G96-Y99 WeakPolarHBondContact O-CB 3.09Å; G96-Y99 PolarHBondContact O-N 3.4Å; G96-Y99 VanDerWaalsContact O-N 3.13Å; Y99-R101 PolarHBondContact O-N 3.12Å
100G87.6Confident85.1Confident56 Ų5688.1 Ų88.158%0.57746%0.461SS*.THydrogen-bonded Turntrans67.514.4-178.100000115A98 Y102A98-G100 PolarHBondContact O-N 3.47Å; G100-Y102 PolarHBondContact O-N 3.37Å
101R90.3Very high86Confident144 Ų14488 Ų8854%0.54346%0.461SS..SBendtrans-60.5-34.2178.3-178.3178.9-63.2-112.8-3112.9Y92 C97 A98 Y99Y92-R101 HydrophobicContact CE1-CB 4.36Å; C97-R101 PolarHBondContact O-NH2 2.81Å; C97-R101 VanDerWaalsContact O-NH2 3.15Å; A98-R101 HydrophobicContact CB-CB 4.15Å; A98-R101 VanDerWaalsContact CB-NE 3.33Å; A98-R101 WeakPolarHBondContact O-CB 3.27Å; A98-R101 PolarHBondContact O-N 3.01Å; Y99-R101 PolarHBondContact O-N 3.12Å
102Y87.9Confident86.4Confident164 Ų16491.7 Ų91.764%0.64348%0.482SS*.SBendtrans-12284.5178.1-60.2-68.6000109.1Y92 G100 E104Y92-Y102 AromaticContact CE1-CD2 3.73Å; Y92-Y102 HydrophobicContact CE1-CD2 3.73Å; Y92-Y102 AromaticContact CE1-CE2 3.91Å; Y92-Y102 HydrophobicContact CE1-CE2 3.91Å; G100-Y102 PolarHBondContact O-N 3.37Å; Y102-E104 PolarHBondContact O-N 2.62Å
103P85.7Confident86.4Confident108 Ų10889.3 Ų89.370%0.70148%0.483SS*.PPolyproline II helixtrans-68.7119.1170.628.6-31000108.5P105P103-P105 WeakPolarHBondContact O-CD 3.45Å
104E86.3Confident86.6Confident185 Ų18592.4 Ų92.486%0.86449%0.494SS*.PPolyproline II helixtrans-75.2118.2172.7-69176.6-168.200108.4Y102Y102-E104 PolarHBondContact O-N 2.62Å
105P88.4Confident86.5Confident95 Ų9596 Ų9662%0.61750%0.504SS*.PPolyproline II helixtrans-65.9152.8176.129-34.2000109.9P103 D107 I109P103-P105 WeakPolarHBondContact O-CD 3.45Å; P105-D107 PolarHBondContact O-N 2.92Å; P105-I109 HydrophobicContact CB-CD1 4.38Å; P105-I109 HydrophobicContact CB-CG2 4.39Å
106S91.6Very high86.8Confident78 Ų7893 Ų9355%0.54550%0.497SS..PPolyproline II helixtrans-62.5139174.361.20000110.2S108 I109S106-S108 PolarHBondContact O-N 3.11Å; S106-S108 PolarHBondContact OG-OG 3.02Å; S106-I109 WeakPolarHBondContact O-CB 3.44Å; S106-I109 VanDerWaalsContact O-CG2 3.24Å; S106-I109 WeakPolarHBondContact O-CG2 3.35Å; S106-I109 PolarHBondContact O-N 2.88Å
107D90.3Very high87.1Confident97 Ų9796.3 Ų96.352%0.51952%0.517SS..THydrogen-bonded Turntrans-56.7-26.6179.2179.574000112.6P105 I109 L110 R129P105-D107 PolarHBondContact O-N 2.92Å; D107-I109 PolarHBondContact O-N 3.24Å; D107-L110 PolarHBondContact O-N 3.01Å; D107-L110 VanDerWaalsContact O-N 3.16Å; D107-R129 PolarHBondContact O-NH2 3.33Å; D107-R129 IonicContact OD1-CZ 3.43Å; D107-R129 IonicContact OD1-NH1 2.72Å; D107-R129 PolarHBondContact OD1-NH1 3.27Å; D107-R129 IonicContact OD1-NH2 2.79Å; D107-R129 IonicContact OD2-CZ 3.96Å; D107-R129 IonicContact OD2-NH1 2.68Å; D107-R129 PolarHBondContact OD2-NH1 3Å; D107-R129 IonicContact OD2-NH2 2.75Å; D107-R129 PolarHBondContact OD2-NH2 3.02Å
108S90.3Very high87.3Confident61 Ų6195.9 Ų95.943%0.42751%0.506SS..THydrogen-bonded Turntrans-56.5-20.2174.464.80000114.3S106 L110 D111 V112S106-S108 PolarHBondContact O-N 3.11Å; S106-S108 PolarHBondContact OG-OG 3.02Å; S108-L110 PolarHBondContact O-N 3.11Å; S108-D111 WeakPolarHBondContact O-CB 3.5Å; S108-D111 PolarHBondContact O-N 2.88Å; S108-V112 PolarHBondContact O-N 3.15Å
109I90.6Very high87.4Confident71 Ų7198.8 Ų98.836%0.36452%0.515SS..Hα-helixtrans-60.3-31.4177.7-158.3171.3000111.8P105 S106 D107 D111 V112 S113P105-I109 HydrophobicContact CB-CD1 4.38Å; P105-I109 HydrophobicContact CB-CG2 4.39Å; S106-I109 WeakPolarHBondContact O-CB 3.44Å; S106-I109 VanDerWaalsContact O-CG2 3.24Å; S106-I109 WeakPolarHBondContact O-CG2 3.35Å; S106-I109 PolarHBondContact O-N 2.88Å; D107-I109 PolarHBondContact O-N 3.24Å; I109-D111 PolarHBondContact O-N 3.38Å; I109-V112 PolarHBondContact O-N 3.33Å; I109-S113 WeakPolarHBondContact CG1-OG 3.45Å; I109-S113 WeakPolarHBondContact O-CB 3.43Å; I109-S113 PolarHBondContact O-N 2.96Å
110L90.7Very high87.5Confident25 Ų2598.6 Ų98.613%0.13152%0.52CS..Hα-helixtrans-70.5-18.8177.8-65.2171.5000112.4D107 S108 W114 R119 Y125 F126D107-L110 PolarHBondContact O-N 3.01Å; D107-L110 VanDerWaalsContact O-N 3.16Å; S108-L110 PolarHBondContact O-N 3.11Å; L110-W114 HydrophobicContact CD2-CD2 3.77Å; L110-W114 VanDerWaalsContact CD2-CE2 3.45Å; L110-W114 HydrophobicContact CD2-CE3 4.48Å; L110-W114 HydrophobicContact CD2-CG 3.98Å; L110-W114 HydrophobicContact CD2-CZ2 3.91Å; L110-R119 PolarHBondContact O-NH2 3.34Å; L110-Y125 HydrophobicContact CD1-CE1 3.98Å; L110-Y125 WeakPolarHBondContact CD1-OH 3.29Å; L110-F126 HydrophobicContact CB-CE1 4.49Å
111D87.9Confident87.8Confident57 Ų57102.1 Ų102.131%0.30552%0.521SS..Hα-helixtrans-88.2-26.6176-61.6-34.1000112.3S108 I109 R119 R129 K133S108-D111 WeakPolarHBondContact O-CB 3.5Å; S108-D111 PolarHBondContact O-N 2.88Å; I109-D111 PolarHBondContact O-N 3.38Å; D111-R119 VanDerWaalsContact C-NH2 3.34Å; D111-R119 PolarHBondContact O-NH2 3.15Å; D111-R129 VanDerWaalsContact CG-NH2 3.3Å; D111-R129 IonicContact OD1-CZ 3.73Å; D111-R129 IonicContact OD1-NE 2.77Å; D111-R129 PolarHBondContact OD1-NE 3.48Å; D111-R129 IonicContact OD1-NH2 3.83Å; D111-R129 PolarHBondContact OD1-NH2 2.67Å; D111-R129 IonicContact OD2-CZ 3.19Å; D111-R129 IonicContact OD2-NE 3.27Å; D111-R129 IonicContact OD2-NH2 3.5Å; D111-R129 PolarHBondContact OD2-NH2 3.44Å; D111-K133 WeakPolarHBondContact OD1-CE 3.43Å; D111-K133 IonicContact OD1-NZ 3.41Å; D111-K133 PolarHBondContact OD1-NZ 3.48Å; D111-K133 WeakPolarHBondContact OD2-CE 3.41Å; D111-K133 IonicContact OD2-NZ 3.56Å; D111-K133 PolarHBondContact OD2-NZ 2.99Å
112V86.6Confident88Confident122 Ų122100.8 Ų100.874%0.73952%0.517SS*.Hα-helixtrans-97.5-48.1-176.6179.90000112.2S108 I109S108-V112 PolarHBondContact O-N 3.15Å; I109-V112 PolarHBondContact O-N 3.33Å
113S83.6Confident88.2Confident67 Ų6796.7 Ų96.747%0.46951%0.51SS..THydrogen-bonded Turntrans-90.2-21.1-169.2-59.20000114I109I109-S113 WeakPolarHBondContact CG1-OG 3.45Å; I109-S113 WeakPolarHBondContact O-CB 3.43Å; I109-S113 PolarHBondContact O-N 2.96Å
114W84.8Confident88.7Confident81 Ų81100.8 Ų100.831%0.30751%0.513SS..  trans-98.6109.1-176.1-71.544.3000110.6L110 E118 R119 Y122 F126L110-W114 HydrophobicContact CD2-CD2 3.77Å; L110-W114 VanDerWaalsContact CD2-CE2 3.45Å; L110-W114 HydrophobicContact CD2-CE3 4.48Å; L110-W114 HydrophobicContact CD2-CG 3.98Å; L110-W114 HydrophobicContact CD2-CZ2 3.91Å; W114-E118 VanDerWaalsContact CA-OE2 3.32Å; W114-E118 WeakPolarHBondContact CA-OE2 3.45Å; W114-E118 HydrophobicContact CB-CB 4.49Å; W114-E118 HydrophobicContact CD2-CB 4.39Å; W114-E118 HydrophobicContact CE3-CB 3.9Å; W114-R119 HydrophobicContact CB-CG 4.23Å; W114-R119 PolarHBondContact O-NE 3.36Å; W114-R119 PolarHBondContact O-NH2 3.38Å; W114-R119 VanDerWaalsContact O-NH2 3.08Å; W114-Y122 HydrophobicContact CH2-CD2 4.31Å; W114-Y122 AromaticContact CH2-CE2 3.93Å; W114-Y122 HydrophobicContact CH2-CE2 3.93Å; W114-Y122 AromaticContact CZ3-CD2 3.65Å; W114-Y122 HydrophobicContact CZ3-CD2 3.65Å; W114-Y122 AromaticContact CZ3-CE2 3.63Å; W114-Y122 HydrophobicContact CZ3-CE2 3.63Å; W114-F126 HydrophobicContact CB-CZ 4.44Å; W114-F126 HydrophobicContact CD2-CZ 4.21Å; W114-F126 AromaticContact CE3-CE2 3.88Å; W114-F126 HydrophobicContact CE3-CE2 3.88Å; W114-F126 AromaticContact CE3-CZ 3.6Å; W114-F126 HydrophobicContact CE3-CZ 3.6Å; W114-F126 HydrophobicContact CZ3-CE2 4.16Å; W114-F126 HydrophobicContact CZ3-CZ 4.22Å
115E78.6Confident89.1Confident144 Ų14497 Ų9767%0.67349%0.492SS*.  trans-79.5168.3176.4-64.7-173.5177.800111.8P117 E118 R119E115-P117 VanDerWaalsContact C-CD 3.45Å; E115-E118 PolarHBondContact O-N 3.22Å; E115-R119 PolarHBondContact O-N 3.14Å; E115-R119 VanDerWaalsContact O-N 3.1Å
116H81Confident89.4Confident142 Ų14293.3 Ų93.366%0.65747%0.466SS*.Hα-helixtrans-43.5-50.4-177.5-71.5-70.9000115.7E118 R119 E120H116-E118 VanDerWaalsContact C-N 3.28Å; H116-E118 PolarHBondContact O-N 3.13Å; H116-R119 PolarHBondContact O-N 2.94Å; H116-R119 VanDerWaalsContact O-N 3.16Å; H116-E120 VanDerWaalsContact O-CG 3.31Å; H116-E120 WeakPolarHBondContact O-CG 3.42Å; H116-E120 PolarHBondContact O-N 2.88Å
117P88.4Confident89.4Confident80 Ų8092.7 Ų92.752%0.51947%0.465SS..Hα-helixtrans-64.3-31.7-177.524.8-34.8000113.1E115E115-P117 VanDerWaalsContact C-CD 3.45Å
118E88.7Confident89.6Confident84 Ų8495.9 Ų95.939%0.39347%0.47SS..Hα-helixtrans-75.2-35.8177.5-59.9-178.5160.500111.1W114 E115 H116 E120 Q121W114-E118 VanDerWaalsContact CA-OE2 3.32Å; W114-E118 WeakPolarHBondContact CA-OE2 3.45Å; W114-E118 HydrophobicContact CB-CB 4.49Å; W114-E118 HydrophobicContact CD2-CB 4.39Å; W114-E118 HydrophobicContact CE3-CB 3.9Å; E115-E118 PolarHBondContact O-N 3.22Å; H116-E118 VanDerWaalsContact C-N 3.28Å; H116-E118 PolarHBondContact O-N 3.13Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-Q121 WeakPolarHBondContact O-CB 3.24Å; E118-Q121 PolarHBondContact O-N 3.14Å
119R89.2Confident89.8Confident67 Ų6793.6 Ų93.625%0.25345%0.452SS..Hα-helixtrans-67.1-37.1174.8-62.3-168.9-176.8173.55.6112.5L110 D111 W114 E115 H116 Q121 Y122 F126L110-R119 PolarHBondContact O-NH2 3.34Å; D111-R119 VanDerWaalsContact C-NH2 3.34Å; D111-R119 PolarHBondContact O-NH2 3.15Å; W114-R119 HydrophobicContact CB-CG 4.23Å; W114-R119 PolarHBondContact O-NE 3.36Å; W114-R119 PolarHBondContact O-NH2 3.38Å; W114-R119 VanDerWaalsContact O-NH2 3.08Å; E115-R119 PolarHBondContact O-N 3.14Å; E115-R119 VanDerWaalsContact O-N 3.1Å; H116-R119 PolarHBondContact O-N 2.94Å; H116-R119 VanDerWaalsContact O-N 3.16Å; R119-Q121 PolarHBondContact O-N 3.38Å; R119-Y122 CarbonylContact O-C 3.47Å; R119-Y122 PolarHBondContact O-N 3.11Å; R119-F126 VanDerWaalsContact CA-CE2 3.47Å; R119-F126 HydrophobicContact CB-CD1 4.33Å; R119-F126 HydrophobicContact CB-CD2 3.79Å; R119-F126 HydrophobicContact CB-CE1 4.41Å; R119-F126 HydrophobicContact CB-CE2 3.9Å; R119-F126 HydrophobicContact CB-CG 4.04Å; R119-F126 HydrophobicContact CB-CZ 4.21Å; R119-F126 HydrophobicContact CG-CD1 3.98Å; R119-F126 HydrophobicContact CG-CD2 4.13Å; R119-F126 HydrophobicContact CG-CE1 3.7Å; R119-F126 HydrophobicContact CG-CE2 3.89Å; R119-F126 HydrophobicContact CG-CG 4.2Å; R119-F126 HydrophobicContact CG-CZ 3.67Å; R119-F126 VanDerWaalsContact O-CD2 3.31Å; R119-F126 WeakPolarHBondContact O-CD2 3.17Å
120E90.2Very high89.9Confident142 Ų14294.1 Ų94.166%0.66445%0.453SS*.Hα-helixtrans-63.2-23178.2-76.3171.9-166.100113.1H116 E118 Y122 P123H116-E120 VanDerWaalsContact O-CG 3.31Å; H116-E120 WeakPolarHBondContact O-CG 3.42Å; H116-E120 PolarHBondContact O-N 2.88Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E120-Y122 VanDerWaalsContact C-N 3.25Å; E120-Y122 PolarHBondContact O-N 3.36Å; E120-P123 WeakPolarHBondContact O-CD 3.27Å
121Q93.8Very high90.1Very high130 Ų13098.4 Ų98.461%0.60747%0.473SS*.THydrogen-bonded Turntrans-67.6-25.1173.6-64.5179.2800112.9E118 R119 P123E118-Q121 WeakPolarHBondContact O-CB 3.24Å; E118-Q121 PolarHBondContact O-N 3.14Å; R119-Q121 PolarHBondContact O-N 3.38Å; Q121-P123 VanDerWaalsContact C-CD 3.46Å; Q121-P123 WeakPolarHBondContact O-CD 3.06Å
122Y93.8Very high90.4Very high117 Ų117103.4 Ų103.446%0.45949%0.487SS..SBendtrans-128.260-175.7-53.4-80.6000112W114 R119 E120 Y124 Y125 F126W114-Y122 HydrophobicContact CH2-CD2 4.31Å; W114-Y122 AromaticContact CH2-CE2 3.93Å; W114-Y122 HydrophobicContact CH2-CE2 3.93Å; W114-Y122 AromaticContact CZ3-CD2 3.65Å; W114-Y122 HydrophobicContact CZ3-CD2 3.65Å; W114-Y122 AromaticContact CZ3-CE2 3.63Å; W114-Y122 HydrophobicContact CZ3-CE2 3.63Å; R119-Y122 CarbonylContact O-C 3.47Å; R119-Y122 PolarHBondContact O-N 3.11Å; E120-Y122 VanDerWaalsContact C-N 3.25Å; E120-Y122 PolarHBondContact O-N 3.36Å; Y122-Y124 VanDerWaalsContact C-N 3.34Å; Y122-Y124 PolarHBondContact O-N 2.95Å; Y122-Y125 WeakPolarHBondContact O-CB 3.41Å; Y122-Y125 PolarHBondContact O-N 2.86Å; Y122-F126 WeakPolarHBondContact O-CD2 3.38Å; Y122-F126 PolarHBondContact O-N 2.95Å; Y122-F126 VanDerWaalsContact O-N 3.08Å
123P92.7Very high90.8Very high77 Ų77100.5 Ų100.550%0.546%0.464SS..Hα-helixtrans-62.1-41.1-168.625.1-33.6000112.1E120 Q121 Y125 A127E120-P123 WeakPolarHBondContact O-CD 3.27Å; Q121-P123 VanDerWaalsContact C-CD 3.46Å; Q121-P123 WeakPolarHBondContact O-CD 3.06Å; P123-Y125 VanDerWaalsContact C-N 3.33Å; P123-Y125 PolarHBondContact O-N 2.75Å; P123-A127 VanDerWaalsContact O-CB 3.23Å; P123-A127 WeakPolarHBondContact O-CB 3.45Å; P123-A127 PolarHBondContact O-N 3.04Å
124Y95.3Very high91.3Very high195 Ų195104 Ų10477%0.76547%0.471SS*.Hα-helixtrans-66.3-33.7177.5-64.8-69.9000113.2Y122 R128Y122-Y124 VanDerWaalsContact C-N 3.34Å; Y122-Y124 PolarHBondContact O-N 2.95Å; Y124-R128 WeakPolarHBondContact O-CB 3.32Å; Y124-R128 VanDerWaalsContact O-CG 3.28Å; Y124-R128 WeakPolarHBondContact O-CG 3.47Å; Y124-R128 PolarHBondContact O-N 3.46Å
125Y94.6Very high91.8Very high106 Ų106103.8 Ų103.842%0.41647%0.474SS..Hα-helixtrans-69.7-50.9178.4175.1-93.5000110.3L110 Y122 P123 R128 R129L110-Y125 HydrophobicContact CD1-CE1 3.98Å; L110-Y125 WeakPolarHBondContact CD1-OH 3.29Å; Y122-Y125 WeakPolarHBondContact O-CB 3.41Å; Y122-Y125 PolarHBondContact O-N 2.86Å; P123-Y125 VanDerWaalsContact C-N 3.33Å; P123-Y125 PolarHBondContact O-N 2.75Å; Y125-R128 PolarHBondContact O-N 2.97Å; Y125-R129 WeakPolarHBondContact O-CB 3.5Å; Y125-R129 PolarHBondContact O-N 3.05Å
126F93.9Very high92.6Very high16 Ų16102.5 Ų102.57%0.0747%0.471CS..Hα-helixtrans-67.9-36.5-179.6-76.2-77.7000112.6L110 W114 R119 Y122 R128 R129 E130L110-F126 HydrophobicContact CB-CE1 4.49Å; W114-F126 HydrophobicContact CB-CZ 4.44Å; W114-F126 HydrophobicContact CD2-CZ 4.21Å; W114-F126 AromaticContact CE3-CE2 3.88Å; W114-F126 HydrophobicContact CE3-CE2 3.88Å; W114-F126 AromaticContact CE3-CZ 3.6Å; W114-F126 HydrophobicContact CE3-CZ 3.6Å; W114-F126 HydrophobicContact CZ3-CE2 4.16Å; W114-F126 HydrophobicContact CZ3-CZ 4.22Å; R119-F126 VanDerWaalsContact CA-CE2 3.47Å; R119-F126 HydrophobicContact CB-CD1 4.33Å; R119-F126 HydrophobicContact CB-CD2 3.79Å; R119-F126 HydrophobicContact CB-CE1 4.41Å; R119-F126 HydrophobicContact CB-CE2 3.9Å; R119-F126 HydrophobicContact CB-CG 4.04Å; R119-F126 HydrophobicContact CB-CZ 4.21Å; R119-F126 HydrophobicContact CG-CD1 3.98Å; R119-F126 HydrophobicContact CG-CD2 4.13Å; R119-F126 HydrophobicContact CG-CE1 3.7Å; R119-F126 HydrophobicContact CG-CE2 3.89Å; R119-F126 HydrophobicContact CG-CG 4.2Å; R119-F126 HydrophobicContact CG-CZ 3.67Å; R119-F126 VanDerWaalsContact O-CD2 3.31Å; R119-F126 WeakPolarHBondContact O-CD2 3.17Å; Y122-F126 WeakPolarHBondContact O-CD2 3.38Å; Y122-F126 PolarHBondContact O-N 2.95Å; Y122-F126 VanDerWaalsContact O-N 3.08Å; F126-R128 PolarHBondContact O-N 2.94Å; F126-R129 WeakPolarHBondContact O-CB 3.5Å; F126-R129 PolarHBondContact O-N 2.8Å; F126-E130 WeakPolarHBondContact O-CG 3.4Å; F126-E130 PolarHBondContact O-N 3.3Å
127A93.3Very high93.2Very high65 Ų65101.2 Ų101.254%0.53747%0.468SS..Hα-helixtrans-60.2-44.3172.900000112.2P123 Q131P123-A127 VanDerWaalsContact O-CB 3.23Å; P123-A127 WeakPolarHBondContact O-CB 3.45Å; P123-A127 PolarHBondContact O-N 3.04Å; A127-Q131 PolarHBondContact O-N 3.33Å
128R94.7Very high93.5Very high164 Ų164103 Ų10362%0.61947%0.47SS*.Hα-helixtrans-67.1-36.4174.8-74.2178.3178.8-174.41.2112.4Y124 Y125 F126 Q131 R132Y124-R128 WeakPolarHBondContact O-CB 3.32Å; Y124-R128 VanDerWaalsContact O-CG 3.28Å; Y124-R128 WeakPolarHBondContact O-CG 3.47Å; Y124-R128 PolarHBondContact O-N 3.46Å; Y125-R128 PolarHBondContact O-N 2.97Å; F126-R128 PolarHBondContact O-N 2.94Å; R128-Q131 PolarHBondContact O-N 2.99Å; R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 2.95Å
129R93.4Very high93.7Very high14 Ų14104.2 Ų104.25%0.05348%0.475CS..Hα-helixtrans-60.3-48176-177.3-171.3-17973.115.5110.9D107 D111 Y125 F126 Q131 R132 K133D107-R129 PolarHBondContact O-NH2 3.33Å; D107-R129 IonicContact OD1-CZ 3.43Å; D107-R129 IonicContact OD1-NH1 2.72Å; D107-R129 PolarHBondContact OD1-NH1 3.27Å; D107-R129 IonicContact OD1-NH2 2.79Å; D107-R129 IonicContact OD2-CZ 3.96Å; D107-R129 IonicContact OD2-NH1 2.68Å; D107-R129 PolarHBondContact OD2-NH1 3Å; D107-R129 IonicContact OD2-NH2 2.75Å; D107-R129 PolarHBondContact OD2-NH2 3.02Å; D111-R129 VanDerWaalsContact CG-NH2 3.3Å; D111-R129 IonicContact OD1-CZ 3.73Å; D111-R129 IonicContact OD1-NE 2.77Å; D111-R129 PolarHBondContact OD1-NE 3.48Å; D111-R129 IonicContact OD1-NH2 3.83Å; D111-R129 PolarHBondContact OD1-NH2 2.67Å; D111-R129 IonicContact OD2-CZ 3.19Å; D111-R129 IonicContact OD2-NE 3.27Å; D111-R129 IonicContact OD2-NH2 3.5Å; D111-R129 PolarHBondContact OD2-NH2 3.44Å; Y125-R129 WeakPolarHBondContact O-CB 3.5Å; Y125-R129 PolarHBondContact O-N 3.05Å; F126-R129 WeakPolarHBondContact O-CB 3.5Å; F126-R129 PolarHBondContact O-N 2.8Å; R129-Q131 VanDerWaalsContact C-N 3.32Å; R129-Q131 PolarHBondContact O-N 3.26Å; R129-R132 PolarHBondContact O-N 3.18Å; R129-K133 WeakPolarHBondContact O-CG 3.41Å; R129-K133 PolarHBondContact O-N 3.15Å
130E92.6Very high94Very high82 Ų82107.1 Ų107.138%0.38349%0.486SS..Hα-helixtrans-64.1-36.4178.3-68.6-51.8124.700112.5F126 K133 K134F126-E130 WeakPolarHBondContact O-CG 3.4Å; F126-E130 PolarHBondContact O-N 3.3Å; E130-K133 PolarHBondContact O-N 3.02Å; E130-K133 IonicContact OE1-NZ 2.68Å; E130-K133 PolarHBondContact OE1-NZ 3.19Å; E130-K133 IonicContact OE2-NZ 2.91Å; E130-K134 PolarHBondContact O-N 3.02Å
131Q95.3Very high94.1Very high115 Ų115105.4 Ų105.454%0.53748%0.478SS..Hα-helixtrans-60.7-49.3171.3-176-177.5-13.200111.6A127 R128 R129 K133 K134 E135A127-Q131 PolarHBondContact O-N 3.33Å; R128-Q131 PolarHBondContact O-N 2.99Å; R129-Q131 VanDerWaalsContact C-N 3.32Å; R129-Q131 PolarHBondContact O-N 3.26Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.35Å; Q131-K134 WeakPolarHBondContact O-CB 3.47Å; Q131-K134 PolarHBondContact O-N 3.43Å; Q131-K134 VanDerWaalsContact O-N 3.14Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.32Å; Q131-E135 PolarHBondContact NE2-OE1 3.19Å; Q131-E135 WeakPolarHBondContact O-CG 3.36Å; Q131-E135 PolarHBondContact O-N 2.75Å; Q131-E135 VanDerWaalsContact O-N 3.11Å
132R94.7Very high94Very high162 Ų162106.2 Ų106.261%0.61148%0.48SS*.Hα-helixtrans-62.6-33.9179.8-71.8177.3-173.5174.31113.3R128 R129 K134 E135 L136R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 2.95Å; R129-R132 PolarHBondContact O-N 3.18Å; R132-K134 VanDerWaalsContact C-N 3.33Å; R132-E135 PolarHBondContact O-N 2.68Å; R132-L136 WeakPolarHBondContact O-CB 3.21Å; R132-L136 PolarHBondContact O-N 2.97Å
133K94Very high93.9Very high60 Ų60104.1 Ų104.126%0.26148%0.476SS..Hα-helixtrans-61.8-41.3174.5-74.7178.9-177.3168.30111.8D111 R129 E130 Q131 L136 L137D111-K133 WeakPolarHBondContact OD1-CE 3.43Å; D111-K133 IonicContact OD1-NZ 3.41Å; D111-K133 PolarHBondContact OD1-NZ 3.48Å; D111-K133 WeakPolarHBondContact OD2-CE 3.41Å; D111-K133 IonicContact OD2-NZ 3.56Å; D111-K133 PolarHBondContact OD2-NZ 2.99Å; R129-K133 WeakPolarHBondContact O-CG 3.41Å; R129-K133 PolarHBondContact O-N 3.15Å; E130-K133 PolarHBondContact O-N 3.02Å; E130-K133 IonicContact OE1-NZ 2.68Å; E130-K133 PolarHBondContact OE1-NZ 3.19Å; E130-K133 IonicContact OE2-NZ 2.91Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.35Å; K133-L136 PolarHBondContact O-N 3.21Å; K133-L137 WeakPolarHBondContact O-CG 3.43Å; K133-L137 PolarHBondContact O-N 3.08Å; K133-L137 VanDerWaalsContact O-N 3.12Å
134K94.6Very high93.8Very high140 Ų140105 Ų10561%0.60947%0.469SS*.Hα-helixtrans-63.9-46.9175.2-65.9176.4-179.2-179.90111.1E130 Q131 R132 L136 L137 E138E130-K134 PolarHBondContact O-N 3.02Å; Q131-K134 WeakPolarHBondContact O-CB 3.47Å; Q131-K134 PolarHBondContact O-N 3.43Å; Q131-K134 VanDerWaalsContact O-N 3.14Å; R132-K134 VanDerWaalsContact C-N 3.33Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 3.2Å; K134-L137 PolarHBondContact O-N 3.38Å; K134-L137 VanDerWaalsContact O-N 3.15Å; K134-E138 WeakPolarHBondContact O-CG 3.11Å; K134-E138 PolarHBondContact O-N 2.85Å
135E95.7Very high93.6Very high77 Ų7798.9 Ų98.936%0.3645%0.45SS..Hα-helixtrans-57.8-40.7176-66.5169-175.800111.9Q131 R132 E138 Q139Q131-E135 WeakPolarHBondContact CG-OE1 3.32Å; Q131-E135 PolarHBondContact NE2-OE1 3.19Å; Q131-E135 WeakPolarHBondContact O-CG 3.36Å; Q131-E135 PolarHBondContact O-N 2.75Å; Q131-E135 VanDerWaalsContact O-N 3.11Å; R132-E135 PolarHBondContact O-N 2.68Å; E135-E138 PolarHBondContact O-N 3.27Å; E135-Q139 WeakPolarHBondContact O-CB 3.31Å; E135-Q139 VanDerWaalsContact O-CG 3.27Å; E135-Q139 WeakPolarHBondContact O-CG 3.23Å; E135-Q139 PolarHBondContact O-N 2.91Å
136L94.3Very high93.4Very high117 Ų11796.6 Ų96.661%0.61345%0.449SS*.Hα-helixtrans-62.3-43.7176.4-176.372.9000111.9R132 K133 K134 Q139 W140R132-L136 WeakPolarHBondContact O-CB 3.21Å; R132-L136 PolarHBondContact O-N 2.97Å; K133-L136 PolarHBondContact O-N 3.21Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 3.2Å; L136-Q139 PolarHBondContact O-N 3.3Å; L136-W140 VanDerWaalsContact O-CB 3.32Å; L136-W140 WeakPolarHBondContact O-CB 3.47Å; L136-W140 PolarHBondContact O-N 2.85Å
137L93.3Very high93.2Very high116 Ų116103 Ų10361%0.60747%0.473SS*.Hα-helixtrans-65.3-44.7178.3-69.6172.4000111.5K133 K134 Q139 W140 E141K133-L137 WeakPolarHBondContact O-CG 3.43Å; K133-L137 PolarHBondContact O-N 3.08Å; K133-L137 VanDerWaalsContact O-N 3.12Å; K134-L137 PolarHBondContact O-N 3.38Å; K134-L137 VanDerWaalsContact O-N 3.15Å; L137-Q139 VanDerWaalsContact C-N 3.32Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-W140 WeakPolarHBondContact O-CB 3.28Å; L137-W140 PolarHBondContact O-N 2.77Å; L137-E141 PolarHBondContact O-N 3.16Å; L137-E141 VanDerWaalsContact O-N 3.15Å
138E94.6Very high92.7Very high117 Ų117109 Ų10955%0.54748%0.482SS..Hα-helixtrans-61.7-39175.4-70176.6-170.100112.3K134 E135K134-E138 WeakPolarHBondContact O-CG 3.11Å; K134-E138 PolarHBondContact O-N 2.85Å; E135-E138 PolarHBondContact O-N 3.27Å
139Q94.6Very high92Very high109 Ų109109.7 Ų109.751%0.50949%0.489SS..Hα-helixtrans-69.5-38.4174.9-73.8179.214.300112.1E135 L136 L137 E141 K142 I143E135-Q139 WeakPolarHBondContact O-CB 3.31Å; E135-Q139 VanDerWaalsContact O-CG 3.27Å; E135-Q139 WeakPolarHBondContact O-CG 3.23Å; E135-Q139 PolarHBondContact O-N 2.91Å; L136-Q139 PolarHBondContact O-N 3.3Å; L137-Q139 VanDerWaalsContact C-N 3.32Å; L137-Q139 PolarHBondContact O-N 3.01Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 3.05Å; Q139-K142 WeakPolarHBondContact O-CB 3.42Å; Q139-K142 PolarHBondContact O-N 2.78Å; Q139-I143 WeakPolarHBondContact O-CG1 3.32Å; Q139-I143 PolarHBondContact O-N 3.21Å
140W93.9Very high91Very high128 Ų128113.5 Ų113.549%0.48552%0.518SS..Hα-helixtrans-60.5-42.1178.7176-113.4000112.1L136 L137 K142 I143 R144 W147L136-W140 VanDerWaalsContact O-CB 3.32Å; L136-W140 WeakPolarHBondContact O-CB 3.47Å; L136-W140 PolarHBondContact O-N 2.85Å; L137-W140 WeakPolarHBondContact O-CB 3.28Å; L137-W140 PolarHBondContact O-N 2.77Å; W140-K142 VanDerWaalsContact C-N 3.34Å; W140-K142 PolarHBondContact O-N 3.26Å; W140-I143 PolarHBondContact O-N 3.29Å; W140-R144 WeakPolarHBondContact O-CB 3.31Å; W140-R144 PolarHBondContact O-N 3.21Å; W140-W147 AromaticContact CH2-CH2 3.69Å; W140-W147 HydrophobicContact CH2-CH2 3.69Å; W140-W147 HydrophobicContact CH2-CZ3 4.06Å; W140-W147 AromaticContact CZ3-CH2 3.96Å; W140-W147 HydrophobicContact CZ3-CH2 3.96Å
141E91.9Very high90Very high107 Ų107114.7 Ų114.750%0.553%0.533SS..Hα-helixtrans-60.4-43.4175.8-68.7-175.2157.500112L137 Q139 I143 R144 D145L137-E141 PolarHBondContact O-N 3.16Å; L137-E141 VanDerWaalsContact O-N 3.15Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 3.05Å; E141-I143 PolarHBondContact O-N 2.87Å; E141-R144 PolarHBondContact O-N 2.93Å; E141-D145 WeakPolarHBondContact O-CB 3.44Å; E141-D145 PolarHBondContact O-N 2.86Å
142K92.8Very high88.4Confident146 Ų146121.2 Ų121.264%0.63557%0.57SS**Hα-helixtrans-61.9-43.5176.1-65.9172.2-175.2170.70112.2Q139 W140 D145 S146Q139-K142 WeakPolarHBondContact O-CB 3.42Å; Q139-K142 PolarHBondContact O-N 2.78Å; W140-K142 VanDerWaalsContact C-N 3.34Å; W140-K142 PolarHBondContact O-N 3.26Å; K142-D145 PolarHBondContact O-N 3.45Å; K142-S146 PolarHBondContact O-N 3.44Å
143I92.4Very high88.1Confident73 Ų73119.2 Ų119.237%0.37457%0.568SS.*Hα-helixtrans-63.3-49.2177-67.6167000110.1Q139 W140 E141 D145 S146 W147Q139-I143 WeakPolarHBondContact O-CG1 3.32Å; Q139-I143 PolarHBondContact O-N 3.21Å; W140-I143 PolarHBondContact O-N 3.29Å; E141-I143 PolarHBondContact O-N 2.87Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.1Å; I143-S146 WeakPolarHBondContact O-CB 3.46Å; I143-S146 PolarHBondContact O-N 3.03Å; I143-S146 VanDerWaalsContact O-N 3.11Å; I143-S146 PolarHBondContact O-OG 3.26Å; I143-W147 HydrophobicContact CG2-CH2 4.45Å; I143-W147 HydrophobicContact CG2-CZ2 3.58Å; I143-W147 PolarHBondContact O-N 3.07Å
144R90Very high87.7Confident97 Ų97122.3 Ų122.337%0.36658%0.584SS.*Hα-helixtrans-56.2-43.1177.8-176.5-168.269.2-163.1-6.5111.7W140 E141 S146 W147W140-R144 WeakPolarHBondContact O-CB 3.31Å; W140-R144 PolarHBondContact O-N 3.21Å; E141-R144 PolarHBondContact O-N 2.93Å; R144-S146 VanDerWaalsContact C-N 3.34Å; R144-W147 PolarHBondContact O-N 3.08Å
145D90.7Very high87.4Confident65 Ų65121.3 Ų121.335%0.34858%0.583SS.*Hα-helixtrans-71.9-29.9-179.7-68.3-6.9000112.1E141 K142 I143 W147 R148 K149E141-D145 WeakPolarHBondContact O-CB 3.44Å; E141-D145 PolarHBondContact O-N 2.86Å; K142-D145 PolarHBondContact O-N 3.45Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.1Å; D145-W147 VanDerWaalsContact C-N 3.32Å; D145-W147 PolarHBondContact O-N 3.05Å; D145-R148 WeakPolarHBondContact O-CB 3.47Å; D145-R148 PolarHBondContact O-N 3.27Å; D145-K149 PolarHBondContact O-N 3.39Å
146S91Very high86.9Confident58 Ų58123.9 Ų123.941%0.40660%0.596SS.*Hα-helixtrans-63.2-36.5173.379.50000112.8K142 I143 R144 R148 K149 S150K142-S146 PolarHBondContact O-N 3.44Å; I143-S146 WeakPolarHBondContact O-CB 3.46Å; I143-S146 PolarHBondContact O-N 3.03Å; I143-S146 VanDerWaalsContact O-N 3.11Å; I143-S146 PolarHBondContact O-OG 3.26Å; R144-S146 VanDerWaalsContact C-N 3.34Å; S146-R148 PolarHBondContact O-N 2.95Å; S146-K149 PolarHBondContact O-N 3.16Å; S146-K149 VanDerWaalsContact O-N 3.09Å; S146-S150 PolarHBondContact O-N 3.29Å
147W89Confident86.4Confident152 Ų152124.4 Ų124.458%0.57660%0.595SS**Hα-helixtrans-67.1-27178.5-60-13000112.4W140 I143 R144 D145 K149 S150W140-W147 AromaticContact CH2-CH2 3.69Å; W140-W147 HydrophobicContact CH2-CH2 3.69Å; W140-W147 HydrophobicContact CH2-CZ3 4.06Å; W140-W147 AromaticContact CZ3-CH2 3.96Å; W140-W147 HydrophobicContact CZ3-CH2 3.96Å; I143-W147 HydrophobicContact CG2-CH2 4.45Å; I143-W147 HydrophobicContact CG2-CZ2 3.58Å; I143-W147 PolarHBondContact O-N 3.07Å; R144-W147 PolarHBondContact O-N 3.08Å; D145-W147 VanDerWaalsContact C-N 3.32Å; D145-W147 PolarHBondContact O-N 3.05Å; W147-K149 VanDerWaalsContact C-N 3.34Å; W147-S150 CarbonylContact O-C 3.34Å
148R83.4Confident86Confident191 Ų191124.9 Ų124.972%0.72159%0.594SS**Hα-helixtrans-72-29.7173.9-63.8-177.9175.7-163.3-1.2112.5D145 S146D145-R148 WeakPolarHBondContact O-CB 3.47Å; D145-R148 PolarHBondContact O-N 3.27Å; S146-R148 PolarHBondContact O-N 2.95Å
149K80Confident85.3Confident178 Ų178125.5 Ų125.577%0.77460%0.597SS**Hα-helixtrans-80-27.7-178.7-67.1179-179.2178.20112.8D145 S146 W147D145-K149 PolarHBondContact O-N 3.39Å; S146-K149 PolarHBondContact O-N 3.16Å; S146-K149 VanDerWaalsContact O-N 3.09Å; W147-K149 VanDerWaalsContact C-N 3.34Å
150S72.5Confident84.6Confident93 Ų93126.8 Ų126.865%0.6560%0.604SS**SBendtrans-131.883.3177-620000109.8S146 W147 L152S146-S150 PolarHBondContact O-N 3.29Å; W147-S150 CarbonylContact O-C 3.34Å; S150-L152 PolarHBondContact O-N 3.38Å
151P70.6Confident83.8Confident108 Ų108126.7 Ų126.770%0.70161%0.614SS**  trans-57.9137.3169.524.8-31.3000109.1
152L61.9Low83.1Confident252 Ų252128.5 Ų128.5100%1.31963%0.625SS**  trans-530178.7-72.9166.4000112.7S150S150-L152 PolarHBondContact O-N 3.38Å

Retrieved 152 of 152 residues in 192.4 ms (Link to these results)

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