A0A087XTL8_POEFO Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A087XTL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 225 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
1M50.3Low84Confident217 Ų21767.4 Ų67.4100%1.06939%0.391SS*.  0-13.60-76.4173.1154.300115.3
2G72.5Confident84.9Confident32 Ų3265.3 Ų65.333%0.3338%0.377SS..Hα-helixtrans-70.9-27.4179.500000115.9L5 Q6G2-L5 PolarHBondContact O-N 3.29Å; G2-Q6 WeakPolarHBondContact O-CB 3.21Å; G2-Q6 PolarHBondContact O-N 2.78Å
3V79.7Confident85.6Confident67 Ų6760.3 Ų60.341%0.40635%0.348SS..Hα-helixtrans-66.8-41.1-176.8-176.80000111.9L5 Q6 V7V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.08Å; V3-Q6 PolarHBondContact O-N 2.78Å; V3-V7 HydrophobicContact CG1-CG2 4.17Å; V3-V7 WeakPolarHBondContact O-CG2 3.29Å; V3-V7 PolarHBondContact O-N 2.96Å
4C84.7Confident86.3Confident101 Ų10160.3 Ų60.368%0.68235%0.349SS*.Hα-helixtrans-62.2-41.3178.6-58.60000112.2L8C4-L8 WeakPolarHBondContact O-CB 3.44Å; C4-L8 PolarHBondContact O-N 2.94Å
5L86.9Confident87Confident47 Ų4760.8 Ų60.825%0.24635%0.353CS..Hα-helixtrans-69.3-36.4176.8-70.2166.7000111.9G2 V3 G9 L180 S184G2-L5 PolarHBondContact O-N 3.29Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.08Å; L5-G9 PolarHBondContact O-N 2.78Å; L5-L180 HydrophobicContact CD2-CD2 4.16Å; L5-S184 WeakPolarHBondContact CB-OG 3.46Å
6Q87.8Confident87.5Confident15 Ų1557.1 Ų57.17%0.0733%0.332CS..Hα-helixtrans-66.6-44.6176.3-164.7176.36.600111.6G2 V3 G9 L10 G99 L100 L181G2-Q6 WeakPolarHBondContact O-CB 3.21Å; G2-Q6 PolarHBondContact O-N 2.78Å; V3-Q6 PolarHBondContact O-N 2.78Å; Q6-G9 PolarHBondContact O-N 3.36Å; Q6-L10 WeakPolarHBondContact O-CB 3.32Å; Q6-L10 PolarHBondContact O-N 3.43Å; Q6-G99 PolarHBondContact NE2-O 2.97Å; Q6-L100 HydrophobicContact CG-CD2 3.8Å; Q6-L181 HydrophobicContact CG-CD2 3.86Å; Q6-L181 WeakPolarHBondContact O-CD2 3.1Å
7V89.8Confident88Confident69 Ų6956.4 Ų56.442%0.41832%0.322SS..Hα-helixtrans-66.4-44.71761740000110.8V3 G9 L10 V11V3-V7 HydrophobicContact CG1-CG2 4.17Å; V3-V7 WeakPolarHBondContact O-CG2 3.29Å; V3-V7 PolarHBondContact O-N 2.96Å; V7-G9 PolarHBondContact O-N 3.41Å; V7-L10 PolarHBondContact O-N 3.43Å; V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CG2 3.19Å; V7-V11 PolarHBondContact O-N 2.85Å
8L92.3Very high88.4Confident88 Ų8856.9 Ų56.946%0.46133%0.329SS..Hα-helixtrans-60.1-46.2176.218062.9000111.4C4 L10 V11 L12 L180C4-L8 WeakPolarHBondContact O-CB 3.44Å; C4-L8 PolarHBondContact O-N 2.94Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.87Å; L8-V11 PolarHBondContact O-N 3.49Å; L8-L12 HydrophobicContact CD1-CD1 4.23Å; L8-L12 HydrophobicContact CD1-CG 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.01Å; L8-L12 HydrophobicContact CG-CG 4.48Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.17Å; L8-L12 PolarHBondContact O-N 3.25Å; L8-L180 HydrophobicContact CD2-CD1 4.4Å; L8-L180 HydrophobicContact CG-CD1 4.45Å
9G92.3Very high88.7Confident0 Ų056.2 Ų56.20%032%0.323CS..Hα-helixtrans-59.5-41.4176.300000112.5L5 Q6 V7 G13L5-G9 PolarHBondContact O-N 2.78Å; Q6-G9 PolarHBondContact O-N 3.36Å; V7-G9 PolarHBondContact O-N 3.41Å; G9-G13 PolarHBondContact O-N 3.1Å
10L92.6Very high88.9Confident28 Ų2853.5 Ų53.515%0.14731%0.308CS..Hα-helixtrans-64.3-46175-176.372.6000112.1Q6 V7 L8 G13 V14 I97 L100Q6-L10 WeakPolarHBondContact O-CB 3.32Å; Q6-L10 PolarHBondContact O-N 3.43Å; V7-L10 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.87Å; L10-G13 CarbonylContact O-C 3.21Å; L10-G13 WeakPolarHBondContact O-CA 3.38Å; L10-G13 PolarHBondContact O-N 2.87Å; L10-G13 VanDerWaalsContact O-N 3.17Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.23Å; L10-I97 HydrophobicContact CD1-CG1 4.24Å; L10-I97 HydrophobicContact CD2-CG1 4.37Å; L10-L100 HydrophobicContact CD2-CD1 3.9Å; L10-L100 HydrophobicContact CD2-CD2 4.44Å
11V94.8Very high89.1Confident77 Ų7752.7 Ų52.747%0.46731%0.305SS..Hα-helixtrans-62.1-46.5178.9171.30000110.6V7 L8 G13 V14 V15V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CG2 3.19Å; V7-V11 PolarHBondContact O-N 2.85Å; L8-V11 PolarHBondContact O-N 3.49Å; V11-G13 PolarHBondContact O-N 3.49Å; V11-V14 PolarHBondContact O-N 2.98Å; V11-V15 HydrophobicContact CG1-CG2 4.47Å; V11-V15 WeakPolarHBondContact O-CG2 3.46Å; V11-V15 PolarHBondContact O-N 2.85Å
12L94.8Very high91.1Very high43 Ų4345.5 Ų45.523%0.22528%0.276CS..Hα-helixtrans-59.6-39.2174.8-69.1170.8000111.3L8 V15 S16 L173 L180L8-L12 HydrophobicContact CD1-CD1 4.23Å; L8-L12 HydrophobicContact CD1-CG 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.01Å; L8-L12 HydrophobicContact CG-CG 4.48Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.17Å; L8-L12 PolarHBondContact O-N 3.25Å; L12-V15 PolarHBondContact O-N 3.42Å; L12-S16 WeakPolarHBondContact O-CB 3.3Å; L12-S16 PolarHBondContact O-N 3.38Å; L12-S16 PolarHBondContact O-OG 2.88Å; L12-L173 HydrophobicContact CD2-CD2 3.73Å; L12-L180 HydrophobicContact CD1-CD1 3.61Å
13G94.3Very high91.8Very high0 Ų044 Ų440%026%0.261CS..Hα-helixtrans-60.4-52.1173.100000112.6G9 L10 V11 V15 S16 W17 F124G9-G13 PolarHBondContact O-N 3.1Å; L10-G13 CarbonylContact O-C 3.21Å; L10-G13 WeakPolarHBondContact O-CA 3.38Å; L10-G13 PolarHBondContact O-N 2.87Å; L10-G13 VanDerWaalsContact O-N 3.17Å; V11-G13 PolarHBondContact O-N 3.49Å; G13-V15 VanDerWaalsContact C-N 3.31Å; G13-V15 PolarHBondContact O-N 3.42Å; G13-S16 PolarHBondContact O-N 3.45Å; G13-S16 VanDerWaalsContact O-N 3.15Å; G13-S16 PolarHBondContact O-OG 3.03Å; G13-W17 WeakPolarHBondContact O-CB 3.24Å; G13-W17 PolarHBondContact O-N 3.25Å; G13-F124 WeakPolarHBondContact O-CZ 3.37Å
14V95.5Very high92.2Very high60 Ų6041.1 Ų41.136%0.36424%0.244SC..Hα-helixtrans-60.2-41.2178.51750000111.7L10 V11 W17 C18 I93L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.23Å; V11-V14 PolarHBondContact O-N 2.98Å; V14-W17 WeakPolarHBondContact O-CB 3.33Å; V14-W17 PolarHBondContact O-N 3.02Å; V14-C18 PolarHBondContact O-N 3.33Å; V14-C18 VanDerWaalsContact O-N 3.11Å; V14-C18 PolarHBondContact O-SG 3.36Å; V14-C18 VanDerWaalsContact O-SG 3.39Å; V14-I93 HydrophobicContact CG2-CD1 4.32Å; V14-I93 HydrophobicContact CG2-CG1 4.49Å; V14-I93 HydrophobicContact CG2-CG2 4.36Å
15V96.3Very high92.3Very high68 Ų6840.8 Ų40.841%0.41224%0.238SC..Hα-helixtrans-62.8-45.5175.8171.70000110.9V11 L12 G13 W17 C18 L19V11-V15 HydrophobicContact CG1-CG2 4.47Å; V11-V15 WeakPolarHBondContact O-CG2 3.46Å; V11-V15 PolarHBondContact O-N 2.85Å; L12-V15 PolarHBondContact O-N 3.42Å; G13-V15 VanDerWaalsContact C-N 3.31Å; G13-V15 PolarHBondContact O-N 3.42Å; V15-W17 VanDerWaalsContact C-N 3.28Å; V15-W17 PolarHBondContact O-N 2.99Å; V15-C18 PolarHBondContact O-N 2.99Å; V15-L19 HydrophobicContact CG1-CD1 3.75Å; V15-L19 WeakPolarHBondContact O-CD1 3.48Å; V15-L19 PolarHBondContact O-N 3.49Å
16S96.1Very high92.1Very high2 Ų239.7 Ų39.71%0.01424%0.235CC..Hα-helixtrans-60.1-38.8177.2770000112.3L12 G13 L19 Q20 F124 S170L12-S16 WeakPolarHBondContact O-CB 3.3Å; L12-S16 PolarHBondContact O-N 3.38Å; L12-S16 PolarHBondContact O-OG 2.88Å; G13-S16 PolarHBondContact O-N 3.45Å; G13-S16 VanDerWaalsContact O-N 3.15Å; G13-S16 PolarHBondContact O-OG 3.03Å; S16-L19 PolarHBondContact O-N 3.48Å; S16-Q20 WeakPolarHBondContact O-CB 3.4Å; S16-Q20 PolarHBondContact O-N 2.71Å; S16-F124 WeakPolarHBondContact OG-CE1 3.48Å; S16-F124 VanDerWaalsContact OG-CZ 3.29Å; S16-F124 WeakPolarHBondContact OG-CZ 2.75Å; S16-S170 WeakPolarHBondContact CB-O 3.44Å
17W96.1Very high91.5Very high45 Ų4542.2 Ų42.217%0.1725%0.247CC..Hα-helixtrans-61.8-45.3176.6173.2-102.5000112.6G13 V14 V15 Q20 S21 L86 G89 L90 I93G13-W17 WeakPolarHBondContact O-CB 3.24Å; G13-W17 PolarHBondContact O-N 3.25Å; V14-W17 WeakPolarHBondContact O-CB 3.33Å; V14-W17 PolarHBondContact O-N 3.02Å; V15-W17 VanDerWaalsContact C-N 3.28Å; V15-W17 PolarHBondContact O-N 2.99Å; W17-Q20 PolarHBondContact O-N 3.41Å; W17-S21 PolarHBondContact O-N 3.43Å; W17-S21 PolarHBondContact O-OG 3.36Å; W17-L86 HydrophobicContact CE3-CD2 4.2Å; W17-L86 HydrophobicContact CH2-CB 3.51Å; W17-L86 HydrophobicContact CH2-CD2 3.36Å; W17-L86 HydrophobicContact CH2-CG 4.01Å; W17-L86 WeakPolarHBondContact CH2-O 3.35Å; W17-L86 HydrophobicContact CZ2-CB 4.49Å; W17-L86 HydrophobicContact CZ2-CD2 3.87Å; W17-L86 HydrophobicContact CZ3-CB 3.97Å; W17-L86 HydrophobicContact CZ3-CD2 3.58Å; W17-L86 HydrophobicContact CZ3-CG 4.32Å; W17-L86 WeakPolarHBondContact CZ3-O 3.35Å; W17-G89 VanDerWaalsContact CZ3-CA 3.5Å; W17-L90 HydrophobicContact CH2-CB 3.75Å; W17-L90 HydrophobicContact CZ2-CB 3.8Å; W17-L90 HydrophobicContact CZ2-CD1 4.35Å; W17-L90 HydrophobicContact CZ3-CB 4.29Å; W17-I93 HydrophobicContact CB-CD1 3.74Å; W17-I93 HydrophobicContact CD2-CD1 4.17Å; W17-I93 HydrophobicContact CG-CD1 3.66Å
18C95.3Very high90.9Very high65 Ų6541.4 Ų41.444%0.43924%0.242SC..Hα-helixtrans-63.8-41.8175.5-68.10000111.8V14 V15 Q20 S21 S22V14-C18 PolarHBondContact O-N 3.33Å; V14-C18 VanDerWaalsContact O-N 3.11Å; V14-C18 PolarHBondContact O-SG 3.36Å; V14-C18 VanDerWaalsContact O-SG 3.39Å; V15-C18 PolarHBondContact O-N 2.99Å; C18-Q20 VanDerWaalsContact C-N 3.35Å; C18-S21 PolarHBondContact O-N 3.43Å; C18-S22 WeakPolarHBondContact O-CB 3.46Å; C18-S22 PolarHBondContact O-N 3.09Å; C18-S22 PolarHBondContact O-OG 2.92Å
19L93.2Very high90.2Very high43 Ų4337.2 Ų37.223%0.22522%0.22CC..Hα-helixtrans-63.6-40.3175.2-76.6151.9000111.7V15 S16 S22 S23 L166 L173V15-L19 HydrophobicContact CG1-CD1 3.75Å; V15-L19 WeakPolarHBondContact O-CD1 3.48Å; V15-L19 PolarHBondContact O-N 3.49Å; S16-L19 PolarHBondContact O-N 3.48Å; L19-S22 PolarHBondContact O-N 3.4Å; L19-S23 WeakPolarHBondContact O-CB 3.26Å; L19-S23 PolarHBondContact O-N 3.47Å; L19-L166 HydrophobicContact CD2-CD2 4.16Å; L19-L166 HydrophobicContact CD2-CG 4.42Å; L19-L173 HydrophobicContact CD1-CD1 3.46Å; L19-L173 VanDerWaalsContact CD1-CD1 3.46Å
20Q93.3Very high89.2Confident2 Ų237.7 Ų37.71%0.00922%0.222CC..Hα-helixtrans-65.3-41.5178-160.1142.2-62.300112.2S16 W17 C18 T24 M82 S85 L86 S127 T131 S170S16-Q20 WeakPolarHBondContact O-CB 3.4Å; S16-Q20 PolarHBondContact O-N 2.71Å; W17-Q20 PolarHBondContact O-N 3.41Å; C18-Q20 VanDerWaalsContact C-N 3.35Å; Q20-T24 WeakPolarHBondContact O-CB 3.28Å; Q20-T24 PolarHBondContact O-N 2.86Å; Q20-T24 PolarHBondContact O-OG1 3.33Å; Q20-M82 HydrophobicContact CG-CE 4.26Å; Q20-S85 PolarHBondContact NE2-OG 3.05Å; Q20-L86 HydrophobicContact CB-CD2 4.3Å; Q20-L86 HydrophobicContact CG-CD2 4.18Å; Q20-S127 PolarHBondContact NE2-OG 2.99Å; Q20-T131 HydrophobicContact CG-CG2 3.66Å; Q20-T131 PolarHBondContact OE1-OG1 2.96Å; Q20-T131 VanDerWaalsContact OE1-OG1 3.08Å; Q20-S170 PolarHBondContact OE1-OG 2.75Å
21S92.7Very high88.3Confident37 Ų3737.9 Ų37.926%0.25922%0.224SC..Hα-helixtrans-63-44.6173.2-57.90000111.1W17 C18 T24 T25W17-S21 PolarHBondContact O-N 3.43Å; W17-S21 PolarHBondContact O-OG 3.36Å; C18-S21 PolarHBondContact O-N 3.43Å; S21-T24 PolarHBondContact O-N 3.05Å; S21-T25 PolarHBondContact O-N 3.49Å; S21-T25 PolarHBondContact O-OG1 2.89Å
22S91.4Very high86.9Confident66 Ų6636.3 Ų36.346%0.46221%0.21SC..Hα-helixtrans-64.8-43.2178.2-57.30000112C18 L19 T24 T25 S26C18-S22 WeakPolarHBondContact O-CB 3.46Å; C18-S22 PolarHBondContact O-N 3.09Å; C18-S22 PolarHBondContact O-OG 2.92Å; L19-S22 PolarHBondContact O-N 3.4Å; S22-T24 PolarHBondContact O-N 2.92Å; S22-T25 PolarHBondContact O-N 3.27Å; S22-S26 WeakPolarHBondContact O-CB 3.32Å; S22-S26 PolarHBondContact O-N 3.25Å
23S88.9Confident85.4Confident0 Ų036.5 Ų36.50%022%0.215CC..Hα-helixtrans-59.8-46.1174.5179.40000110.4L19 T25 S26 W29 G163L19-S23 WeakPolarHBondContact O-CB 3.26Å; L19-S23 PolarHBondContact O-N 3.47Å; S23-T25 VanDerWaalsContact C-N 3.35Å; S23-T25 PolarHBondContact O-N 3.43Å; S23-S26 WeakPolarHBondContact O-CB 3.42Å; S23-S26 PolarHBondContact O-N 2.98Å; S23-S26 VanDerWaalsContact O-N 3.16Å; S23-S26 PolarHBondContact O-OG 2.88Å; S23-W29 WeakPolarHBondContact O-CZ2 3.34Å; S23-W29 PolarHBondContact O-NE1 3.38Å; S23-G163 PolarHBondContact OG-O 3.13Å
24T87.5Confident83.9Confident8 Ų839.8 Ų39.85%0.04923%0.23CC..Hα-helixtrans-61.1-40.3178.8-55.30000112.8Q20 S21 S22 L48 W49 M82 L86Q20-T24 WeakPolarHBondContact O-CB 3.28Å; Q20-T24 PolarHBondContact O-N 2.86Å; Q20-T24 PolarHBondContact O-OG1 3.33Å; S21-T24 PolarHBondContact O-N 3.05Å; S22-T24 PolarHBondContact O-N 2.92Å; T24-L48 HydrophobicContact CG2-CD2 4.25Å; T24-W49 HydrophobicContact CG2-CZ2 4.14Å; T24-W49 PolarHBondContact O-NE1 3.46Å; T24-M82 WeakPolarHBondContact OG1-CE 3.41Å; T24-L86 HydrophobicContact CG2-CD1 4.2Å
25T85.9Confident81.9Confident93 Ų9340.7 Ų40.757%0.57124%0.244SC*.Hα-helixtrans-78.3-23.9178.7-56.70000112.4S21 S22 S23 H27S21-T25 PolarHBondContact O-N 3.49Å; S21-T25 PolarHBondContact O-OG1 2.89Å; S22-T25 PolarHBondContact O-N 3.27Å; S23-T25 VanDerWaalsContact C-N 3.35Å; S23-T25 PolarHBondContact O-N 3.43Å; T25-H27 PolarHBondContact O-CE1 3.38Å; T25-H27 PolarHBondContact O-N 2.78Å; T25-H27 PolarHBondContact O-ND1 2.97Å
26S83Confident79.9Confident24 Ų2445 Ų4517%0.16826%0.26CS..  trans-58.6139.1-175.872.30000112.6S22 S23 T28 W29S22-S26 WeakPolarHBondContact O-CB 3.32Å; S22-S26 PolarHBondContact O-N 3.25Å; S23-S26 WeakPolarHBondContact O-CB 3.42Å; S23-S26 PolarHBondContact O-N 2.98Å; S23-S26 VanDerWaalsContact O-N 3.16Å; S23-S26 PolarHBondContact O-OG 2.88Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-W29 VanDerWaalsContact O-CD1 3.23Å; S26-W29 PolarHBondContact O-NE1 2.97Å; S26-W29 PolarHBondContact OG-NE1 2.74Å; S26-W29 VanDerWaalsContact OG-NE1 3.1Å
27H76.5Confident77.9Confident69 Ų6949 Ų4932%0.31928%0.284SS..SBendtrans-92.95-179.4-56.2-40000113.1T25 E46 G47 M50T25-H27 PolarHBondContact O-CE1 3.38Å; T25-H27 PolarHBondContact O-N 2.78Å; T25-H27 PolarHBondContact O-ND1 2.97Å; H27-E46 CarbonylContact O-C 3.41Å; H27-G47 WeakPolarHBondContact O-CA 3.35Å; H27-G47 PolarHBondContact O-N 3.27Å; H27-G47 VanDerWaalsContact O-N 3.11Å; H27-M50 HydrophobicContact CB-CG 4.39Å; H27-M50 HydrophobicContact CB-SD 4.41Å; H27-M50 VanDerWaalsContact CD2-SD 3.53Å; H27-M50 WeakPolarHBondContact CE1-CE 3.46Å; H27-M50 VanDerWaalsContact CE1-CG 3.5Å; H27-M50 WeakPolarHBondContact CE1-CG 3.46Å; H27-M50 PolarHBondContact CE1-SD 2.99Å; H27-M50 VanDerWaalsContact CG-SD 3.52Å; H27-M50 WeakPolarHBondContact ND1-CG 3.44Å; H27-M50 PolarHBondContact ND1-SD 3.49Å; H27-M50 VanDerWaalsContact ND1-SD 3.43Å; H27-M50 WeakPolarHBondContact NE2-CE 3.35Å; H27-M50 PolarHBondContact NE2-SD 3.46Å; H27-M50 VanDerWaalsContact NE2-SD 3.44Å
28T77.1Confident75.9Confident52 Ų5253.5 Ų53.532%0.31932%0.316SS..  trans-120.258.8-171.952.10000110.7S26 F45 G161 T162 G163S26-T28 VanDerWaalsContact C-N 3.32Å; T28-F45 HydrophobicContact CG2-CD1 4.39Å; T28-G161 CarbonylContact O-C 3.59Å; T28-G161 VanDerWaalsContact O-C 3.24Å; T28-G161 WeakPolarHBondContact O-CA 2.83Å; T28-T162 PolarHBondContact O-N 3.16Å; T28-G163 PolarHBondContact O-N 2.88Å
29W76.3Confident73.7Confident0 Ų056.3 Ų56.30%033%0.331CS..SBendtrans-85.5-39.7171.6-76.256.5000110.3S23 S26 E46 L48 M82 V135 Y138 G161 L164S23-W29 WeakPolarHBondContact O-CZ2 3.34Å; S23-W29 PolarHBondContact O-NE1 3.38Å; S26-W29 VanDerWaalsContact O-CD1 3.23Å; S26-W29 PolarHBondContact O-NE1 2.97Å; S26-W29 PolarHBondContact OG-NE1 2.74Å; S26-W29 VanDerWaalsContact OG-NE1 3.1Å; W29-E46 PolarHBondContact N-O 3.1Å; W29-L48 HydrophobicContact CD2-CB 4.5Å; W29-L48 HydrophobicContact CD2-CD1 4.18Å; W29-L48 HydrophobicContact CE3-CD1 3.98Å; W29-L48 HydrophobicContact CH2-CD1 4.13Å; W29-L48 HydrophobicContact CZ2-CD1 4.3Å; W29-L48 HydrophobicContact CZ2-CD2 4.38Å; W29-L48 HydrophobicContact CZ3-CD1 3.96Å; W29-M82 HydrophobicContact CH2-CE 3.98Å; W29-M82 HydrophobicContact CH2-CG 4.06Å; W29-M82 HydrophobicContact CH2-SD 3.99Å; W29-M82 HydrophobicContact CZ2-CE 4.13Å; W29-V135 HydrophobicContact CH2-CG2 4.13Å; W29-V135 HydrophobicContact CZ3-CG2 4.28Å; W29-Y138 HydrophobicContact CB-CE1 3.92Å; W29-Y138 AromaticContact CE3-CD1 3.88Å; W29-Y138 HydrophobicContact CE3-CD1 3.88Å; W29-Y138 HydrophobicContact CE3-CE1 4.09Å; W29-Y138 HydrophobicContact CE3-CG 4.29Å; W29-G161 WeakPolarHBondContact O-CA 3.39Å; W29-G161 PolarHBondContact O-N 3.47Å; W29-L164 HydrophobicContact CB-CD1 4.32Å; W29-L164 WeakPolarHBondContact O-CD1 3.28Å
30K72.4Confident72Confident9 Ų957.8 Ų57.84%0.03934%0.342CS..EExtended strand (participates in β ladder)trans-135.8135.7177.8-176.4177-175174.50109.2E46 Y138 I142 E145 T158K30-E46 HydrophobicContact CB-CB 4.24Å; K30-E46 PolarHBondContact N-O 3.37Å; K30-E46 PolarHBondContact O-N 2.83Å; K30-Y138 HydrophobicContact CB-CE1 4.41Å; K30-I142 HydrophobicContact CB-CD1 4.16Å; K30-I142 HydrophobicContact CD-CD1 4.14Å; K30-I142 HydrophobicContact CD-CG1 4.11Å; K30-I142 HydrophobicContact CG-CD1 4.12Å; K30-E145 IonicContact NZ-OE1 2.69Å; K30-E145 PolarHBondContact NZ-OE1 3.44Å; K30-E145 IonicContact NZ-OE2 2.83Å; K30-E145 PolarHBondContact NZ-OE2 3.01Å; K30-T158 HydrophobicContact CD-CG2 4.48Å; K30-T158 HydrophobicContact CG-CG2 3.99Å
31V72.8Confident70.3Confident32 Ų3259.3 Ų59.319%0.19435%0.353CS..EExtended strand (participates in β ladder)trans-115.8131.3174.1-173.90000107.1Q44 F45 T158 C159V31-Q44 CarbonylContact C-O 3.59Å; V31-Q44 WeakPolarHBondContact CA-O 3.3Å; V31-F45 HydrophobicContact CB-CD1 4.37Å; V31-F45 HydrophobicContact CG1-CD1 3.86Å; V31-F45 HydrophobicContact CG1-CE1 3.71Å; V31-F45 HydrophobicContact CG2-CD1 3.81Å; V31-F45 HydrophobicContact CG2-CE1 4.18Å; V31-T158 CarbonylContact O-C 3.57Å; V31-T158 WeakPolarHBondContact O-CA 3.48Å; V31-C159 HydrophobicContact CB-CB 4.18Å; V31-C159 PolarHBondContact N-O 3.31Å; V31-C159 PolarHBondContact O-N 3.5Å
32R65.8Low69.1Low45 Ų4558.8 Ų58.817%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-124118.3169.5-63.2-164.3-169.6-124.16.1108.7Q44 E145 L154 V157 T158R32-Q44 HydrophobicContact CB-CB 4.37Å; R32-Q44 PolarHBondContact N-O 3.5Å; R32-Q44 PolarHBondContact O-N 2.73Å; R32-E145 IonicContact CZ-OE2 3.92Å; R32-E145 IonicContact NH1-OE2 3.44Å; R32-E145 IonicContact NH2-OE2 3.66Å; R32-E145 PolarHBondContact NH2-OE2 3.38Å; R32-L154 VanDerWaalsContact NH1-CD2 3.29Å; R32-V157 WeakPolarHBondContact CA-O 3.38Å; R32-T158 HydrophobicContact CG-CG2 4.28Å
33S64.4Low68.1Low47 Ų4762.4 Ų62.433%0.32935%0.353SS..EExtended strand (participates in β ladder)trans-96.485.3170.959.10000114.4A35 S42 V157S33-A35 PolarHBondContact O-N 3.49Å; S33-A35 VanDerWaalsContact O-N 3.09Å; S33-S42 CarbonylContact C-O 3.58Å; S33-V157 VanDerWaalsContact N-CG1 3.26Å; S33-V157 PolarHBondContact N-O 3.24Å; S33-V157 WeakPolarHBondContact O-CB 3.23Å; S33-V157 WeakPolarHBondContact O-CG1 3.3Å; S33-V157 WeakPolarHBondContact O-CG2 2.97Å; S33-V157 WeakPolarHBondContact OG-CA 3.19Å; S33-V157 WeakPolarHBondContact OG-CG2 3.48Å; S33-V157 PolarHBondContact OG-O 3.29Å; S33-V157 VanDerWaalsContact OG-O 3.13Å
34Q61.3Low67.2Low68 Ų6865 Ų6532%0.31837%0.365SS..EExtended strand (participates in β ladder)trans-70.1112.9176.7-67.3-169.913.500110.3S41 S42Q34-S41 WeakPolarHBondContact O-CA 3.43Å; Q34-S42 PolarHBondContact N-O 3.24Å; Q34-S42 PolarHBondContact O-N 2.95Å
35A54.2Low66.6Low79 Ų7967.4 Ų67.465%0.65338%0.375SS*.  trans-115.88617900000109.7S33S33-A35 PolarHBondContact O-N 3.49Å; S33-A35 VanDerWaalsContact O-N 3.09Å
36E55Low66Low160 Ų16065.2 Ų65.275%0.74836%0.358SS*.SBendtrans-99.4-36176.6-68.8-171163.300112.5
37T52.5Low65.7Low86 Ų8664.1 Ų64.153%0.52835%0.351SS..SBendtrans-154.8164.5169.964.30000111.7T39 T40 S41T37-T39 PolarHBondContact O-N 3.28Å; T37-T39 VanDerWaalsContact O-N 3.09Å; T37-T40 PolarHBondContact N-OG1 3.28Å; T37-T40 PolarHBondContact O-N 3.08Å; T37-T40 PolarHBondContact OG1-OG1 2.87Å; T37-S41 PolarHBondContact O-N 3.35Å
38V54.3Low65.5Low139 Ų13960.9 Ų60.984%0.84234%0.336SS*.THydrogen-bonded Turntrans-56.7-26.1-178.4-170.70000113.1
39T50.3Low65.6Low123 Ų12363.4 Ų63.476%0.75534%0.34SS*.THydrogen-bonded Turntrans-94.6-13.5-178.4-41.90000113.1T37T37-T39 PolarHBondContact O-N 3.28Å; T37-T39 VanDerWaalsContact O-N 3.09Å
40T56.1Low65.5Low74 Ų7465.2 Ų65.245%0.45435%0.349SS..SBendtrans-121.918-177.761.50000114T37 S42T37-T40 PolarHBondContact N-OG1 3.28Å; T37-T40 PolarHBondContact O-N 3.08Å; T37-T40 PolarHBondContact OG1-OG1 2.87Å; T40-S42 PolarHBondContact O-N 2.93Å; T40-S42 VanDerWaalsContact O-N 3.11Å
41S58.7Low65.8Low34 Ų3466.1 Ų66.124%0.23836%0.356CS..  trans-67.3114.4174.766.80000110Q34 T37 A56Q34-S41 WeakPolarHBondContact O-CA 3.43Å; T37-S41 PolarHBondContact O-N 3.35Å; S41-A56 PolarHBondContact O-N 3.26Å; S41-A56 VanDerWaalsContact O-N 3.14Å; S41-A56 WeakPolarHBondContact OG-CB 3.37Å
42S66.3Low66.1Low26 Ų2665.1 Ų65.118%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-122.4139.9177.868.10000111S33 Q34 T40 A54S33-S42 CarbonylContact C-O 3.58Å; Q34-S42 PolarHBondContact N-O 3.24Å; Q34-S42 PolarHBondContact O-N 2.95Å; T40-S42 PolarHBondContact O-N 2.93Å; T40-S42 VanDerWaalsContact O-N 3.11Å; S42-A54 CarbonylContact C-O 3.24Å; S42-A54 WeakPolarHBondContact CA-O 3.36Å
43W70.4Confident66.7Low143 Ų14364.4 Ų64.454%0.54235%0.354SS..EExtended strand (participates in β ladder)trans-114.4106.7-172.4-4441.9000105.6F45 A53 A54W43-F45 HydrophobicContact CB-CE2 3.87Å; W43-F45 HydrophobicContact CB-CZ 4.1Å; W43-F45 HydrophobicContact CE3-CZ 4.36Å; W43-A53 WeakPolarHBondContact O-CA 3.43Å; W43-A54 HydrophobicContact CB-CB 4.3Å; W43-A54 PolarHBondContact N-O 3.47Å; W43-A54 PolarHBondContact O-N 3.35Å
44Q71.6Confident67.4Low53 Ų5363 Ų6325%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-100123.1-178.8-65.3179.3-31.600109.3V31 R32 C52 A53V31-Q44 CarbonylContact C-O 3.59Å; V31-Q44 WeakPolarHBondContact CA-O 3.3Å; R32-Q44 HydrophobicContact CB-CB 4.37Å; R32-Q44 PolarHBondContact N-O 3.5Å; R32-Q44 PolarHBondContact O-N 2.73Å; Q44-C52 CarbonylContact C-O 3.53Å; Q44-C52 WeakPolarHBondContact CA-O 3.24Å; Q44-A53 HydrophobicContact CG-CB 4.17Å
45F74.8Confident68.2Low60 Ų6062.5 Ų62.526%0.26335%0.347SS..EExtended strand (participates in β ladder)trans-110.3113.4174.4-54.5-86.1000108T28 V31 W43 C52 A54T28-F45 HydrophobicContact CG2-CD1 4.39Å; V31-F45 HydrophobicContact CB-CD1 4.37Å; V31-F45 HydrophobicContact CG1-CD1 3.86Å; V31-F45 HydrophobicContact CG1-CE1 3.71Å; V31-F45 HydrophobicContact CG2-CD1 3.81Å; V31-F45 HydrophobicContact CG2-CE1 4.18Å; W43-F45 HydrophobicContact CB-CE2 3.87Å; W43-F45 HydrophobicContact CB-CZ 4.1Å; W43-F45 HydrophobicContact CE3-CZ 4.36Å; F45-C52 PolarHBondContact N-O 3.15Å; F45-C52 PolarHBondContact O-N 3.26Å; F45-A54 HydrophobicContact CE2-CB 4.31Å
46E73Confident69.1Low47 Ų4761.5 Ų61.522%0.2234%0.339CS..EExtended strand (participates in β ladder)trans-101.5118.6176.9-65.4-177.6150.400109.3H27 W29 K30H27-E46 CarbonylContact O-C 3.41Å; W29-E46 PolarHBondContact N-O 3.1Å; K30-E46 HydrophobicContact CB-CB 4.24Å; K30-E46 PolarHBondContact N-O 3.37Å; K30-E46 PolarHBondContact O-N 2.83Å
47G76.3Confident70.2Confident1 Ų161.7 Ų61.71%0.0134%0.344CS..  trans-94175.716800000111.8H27 W49 M50H27-G47 WeakPolarHBondContact O-CA 3.35Å; H27-G47 PolarHBondContact O-N 3.27Å; H27-G47 VanDerWaalsContact O-N 3.11Å; G47-W49 PolarHBondContact O-N 3Å; G47-M50 WeakPolarHBondContact CA-O 3.46Å; G47-M50 PolarHBondContact N-O 3.46Å
48L72.8Confident71.3Confident1 Ų160.7 Ų60.71%0.00535%0.35CS..SBendtrans-65.5-29174.7-15476.2000111.9T24 W29 L75 R79 M82T24-L48 HydrophobicContact CG2-CD2 4.25Å; W29-L48 HydrophobicContact CD2-CB 4.5Å; W29-L48 HydrophobicContact CD2-CD1 4.18Å; W29-L48 HydrophobicContact CE3-CD1 3.98Å; W29-L48 HydrophobicContact CH2-CD1 4.13Å; W29-L48 HydrophobicContact CZ2-CD1 4.3Å; W29-L48 HydrophobicContact CZ2-CD2 4.38Å; W29-L48 HydrophobicContact CZ3-CD1 3.96Å; L48-L75 HydrophobicContact CD1-CD1 4.14Å; L48-R79 HydrophobicContact CD1-CG 4.37Å; L48-R79 HydrophobicContact CD2-CG 3.88Å; L48-R79 HydrophobicContact CG-CG 3.76Å; L48-R79 PolarHBondContact O-NE 3.15Å; L48-R79 PolarHBondContact O-NH2 3.27Å; L48-M82 HydrophobicContact CD2-CB 4.37Å; L48-M82 HydrophobicContact CD2-CG 4.26Å
49W77.8Confident72.4Confident105 Ų10557 Ų5740%0.39833%0.331SS..SBendtrans-117.5-20.6-171.2-57.497.6000115.5T24 G47 F65 I83T24-W49 HydrophobicContact CG2-CZ2 4.14Å; T24-W49 PolarHBondContact O-NE1 3.46Å; G47-W49 PolarHBondContact O-N 3Å; W49-F65 WeakPolarHBondContact O-CD2 3.08Å; W49-I83 HydrophobicContact CH2-CD1 3.9Å; W49-I83 HydrophobicContact CH2-CG1 4.37Å; W49-I83 HydrophobicContact CZ2-CD1 4.43Å; W49-I83 HydrophobicContact CZ2-CG1 4.44Å
50M75.9Confident73.9Confident38 Ų3856 Ų5619%0.18732%0.324CS..EExtended strand (participates in β ladder)trans-144.9155-179.256.8162.776.300110.1H27 G47 K64H27-M50 HydrophobicContact CB-CG 4.39Å; H27-M50 HydrophobicContact CB-SD 4.41Å; H27-M50 VanDerWaalsContact CD2-SD 3.53Å; H27-M50 WeakPolarHBondContact CE1-CE 3.46Å; H27-M50 VanDerWaalsContact CE1-CG 3.5Å; H27-M50 WeakPolarHBondContact CE1-CG 3.46Å; H27-M50 PolarHBondContact CE1-SD 2.99Å; H27-M50 VanDerWaalsContact CG-SD 3.52Å; H27-M50 WeakPolarHBondContact ND1-CG 3.44Å; H27-M50 PolarHBondContact ND1-SD 3.49Å; H27-M50 VanDerWaalsContact ND1-SD 3.43Å; H27-M50 WeakPolarHBondContact NE2-CE 3.35Å; H27-M50 PolarHBondContact NE2-SD 3.46Å; H27-M50 VanDerWaalsContact NE2-SD 3.44Å; G47-M50 WeakPolarHBondContact CA-O 3.46Å; G47-M50 PolarHBondContact N-O 3.46Å; M50-K64 HydrophobicContact CB-CG 4.44Å
51S78Confident75Confident28 Ų2859.3 Ų59.320%0.19634%0.335CS..EExtended strand (participates in β ladder)trans-115.4132.5169.4178.30000108.3S63S51-S63 PolarHBondContact N-O 3.5Å; S51-S63 PolarHBondContact O-N 2.96Å; S51-S63 VanDerWaalsContact O-O 3.1Å
52C79.8Confident76.2Confident11 Ų1161 Ų617%0.07435%0.346CS..EExtended strand (participates in β ladder)trans-120132.5178.1-64.90000109.2Q44 F45 Q61 C62Q44-C52 CarbonylContact C-O 3.53Å; Q44-C52 WeakPolarHBondContact CA-O 3.24Å; F45-C52 PolarHBondContact N-O 3.15Å; F45-C52 PolarHBondContact O-N 3.26Å; C52-Q61 WeakPolarHBondContact CA-O 3.43Å; C52-C62 HydrophobicContact CB-CB 4.15Å; C52-C62 WeakPolarHBondContact CB-SG 3.29Å; C52-C62 WeakPolarHBondContact SG-CB 3.5Å; C52-C62 CovalentContact SG-SG 2.05Å; C52-C62 PolarHBondContact SG-SG 3.36Å
53A78.3Confident76.7Confident30 Ų3063 Ų6325%0.24836%0.36CS..EExtended strand (participates in β ladder)trans-113.7127.2172.500000109.3W43 Q44 V60 Q61W43-A53 WeakPolarHBondContact O-CA 3.43Å; Q44-A53 HydrophobicContact CG-CB 4.17Å; A53-V60 WeakPolarHBondContact O-CA 3.35Å; A53-Q61 PolarHBondContact N-O 3.23Å; A53-Q61 PolarHBondContact O-N 3.42Å
54A78.8Confident76.9Confident18 Ų1863.6 Ų63.615%0.14937%0.366CS..EExtended strand (participates in β ladder)trans-105.5129.717000000109.2S42 W43 F45 S59 V60S42-A54 CarbonylContact C-O 3.24Å; S42-A54 WeakPolarHBondContact CA-O 3.36Å; W43-A54 HydrophobicContact CB-CB 4.3Å; W43-A54 PolarHBondContact N-O 3.47Å; W43-A54 PolarHBondContact O-N 3.35Å; F45-A54 HydrophobicContact CE2-CB 4.31Å; A54-S59 WeakPolarHBondContact CA-O 3.33Å; A54-V60 HydrophobicContact CB-CG2 4.11Å
55T77.9Confident76.7Confident56 Ų5664.1 Ų64.134%0.34437%0.368SS..EExtended strand (participates in β ladder)trans-100.9154.2178.5-48.10000109.7L57 G58 S59T55-L57 HydrophobicContact CG2-CB 4.48Å; T55-L57 PolarHBondContact O-N 3.25Å; T55-G58 PolarHBondContact O-N 2.99Å; T55-S59 PolarHBondContact N-O 3.48Å
56A73.6Confident75.5Confident59 Ų5970.7 Ų70.749%0.48840%0.396SS..THydrogen-bonded Turntrans-51.7-22.3173.600000114.5S41 G58S41-A56 PolarHBondContact O-N 3.26Å; S41-A56 VanDerWaalsContact O-N 3.14Å; S41-A56 WeakPolarHBondContact OG-CB 3.37Å; A56-G58 PolarHBondContact O-N 2.93Å
57L76.4Confident74.2Confident164 Ų16472.5 Ų72.586%0.85941%0.411SS*.THydrogen-bonded Turntrans-771.3176.5-141.571.6000114.1T55 S59T55-L57 HydrophobicContact CG2-CB 4.48Å; T55-L57 PolarHBondContact O-N 3.25Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.34Å
58G75.9Confident73Confident64 Ų6476.9 Ų76.966%0.6644%0.437SS*.SBendtrans83.1-0.8179.500000115T55 A56T55-G58 PolarHBondContact O-N 2.99Å; A56-G58 PolarHBondContact O-N 2.93Å
59S77.5Confident71.7Confident62 Ų6285 Ų8543%0.43448%0.479SS..  trans-76.1126.1174.3560000111A54 T55 L57A54-S59 WeakPolarHBondContact CA-O 3.33Å; T55-S59 PolarHBondContact N-O 3.48Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.34Å
60V82.3Confident70.2Confident102 Ų10283.5 Ų83.562%0.61850%0.497SS*.EExtended strand (participates in β ladder)trans-109.9115.8172-178.40000108.3A53 A54A53-V60 WeakPolarHBondContact O-CA 3.35Å; A54-V60 HydrophobicContact CB-CG2 4.11Å
61Q80.2Confident69.5Low143 Ų14383.2 Ų83.267%0.66850%0.496SS*.EExtended strand (participates in β ladder)trans-116.7112.7178.3-168.2164.2-32.200109.7C52 A53C52-Q61 WeakPolarHBondContact CA-O 3.43Å; A53-Q61 PolarHBondContact N-O 3.23Å; A53-Q61 PolarHBondContact O-N 3.42Å
62C82.3Confident69Low69 Ų6986.3 Ų86.347%0.46651%0.51SS..EExtended strand (participates in β ladder)trans-100.4125.8176.8-68.70000110.4C52C52-C62 HydrophobicContact CB-CB 4.15Å; C52-C62 WeakPolarHBondContact CB-SG 3.29Å; C52-C62 WeakPolarHBondContact SG-CB 3.5Å; C52-C62 CovalentContact SG-SG 2.05Å; C52-C62 PolarHBondContact SG-SG 3.36Å
63S77.6Confident68.7Low68 Ų6889.7 Ų89.748%0.47653%0.534SS..EExtended strand (participates in β ladder)trans-116.5125.1173.1-69.90000109.9S51S51-S63 PolarHBondContact N-O 3.5Å; S51-S63 PolarHBondContact O-N 2.96Å; S51-S63 VanDerWaalsContact O-O 3.1Å
64K73.9Confident68.7Low156 Ų15691 Ų9168%0.67854%0.535SS*.EExtended strand (participates in β ladder)trans-66.9143.3166.1-69.3-175.2-178.3175.90108.6M50 K66M50-K64 HydrophobicContact CB-CG 4.44Å; K64-K66 PolarHBondContact O-N 3.47Å
65F66.9Low68.7Low65 Ų6591.3 Ų91.329%0.28553%0.534SS..  trans-63.4102.4172.3-64.6-76.5000108.6W49 T67 L71W49-F65 WeakPolarHBondContact O-CD2 3.08Å; F65-T67 VanDerWaalsContact C-N 3.32Å; F65-T67 PolarHBondContact O-N 3.31Å; F65-L71 HydrophobicContact CB-CD1 4.36Å; F65-L71 HydrophobicContact CD1-CD1 3.54Å; F65-L71 HydrophobicContact CE1-CD1 3.93Å; F65-L71 HydrophobicContact CG-CD1 3.97Å
66K51.3Low69Low197 Ų19793.4 Ų93.486%0.85754%0.54SS*.  trans-76.8-12.8-170.7-77.1-174.1178.9177.50114.2K64K64-K66 PolarHBondContact O-N 3.47Å
67T45.7Very low69.6Low86 Ų8693 Ų9353%0.52854%0.536SS..  trans-142.9121.4-171-24.40000112F65 L69F65-T67 VanDerWaalsContact C-N 3.32Å; F65-T67 PolarHBondContact O-N 3.31Å; T67-L69 HydrophobicContact CG2-CB 4.21Å; T67-L69 PolarHBondContact O-N 2.96Å
68V51Low70.1Confident92 Ų9285.3 Ų85.356%0.55850%0.496SS*.G310 helixtrans-67.4-24.8173.2-1740000111.2G70V68-G70 VanDerWaalsContact C-N 3.35Å; V68-G70 PolarHBondContact O-N 2.86Å
69L43.9Very low70.7Confident172 Ų17283.9 Ų83.990%0.90147%0.471SS*.G310 helixtrans-76.6-11.5-178.9-78.797.4000115.4T67T67-L69 HydrophobicContact CG2-CB 4.21Å; T67-L69 PolarHBondContact O-N 2.96Å
70G47.2Very low71.3Confident74 Ų7483.7 Ų83.776%0.76347%0.473SS*.G310 helixtrans-1179.5-179.800000114V68V68-G70 VanDerWaalsContact C-N 3.35Å; V68-G70 PolarHBondContact O-N 2.86Å
71L61.2Low71.7Confident32 Ų3281.1 Ų81.117%0.16846%0.456CS..SBendtrans-102.7135.4-173.9-158.567.2000110F65 S73 L75 R79F65-L71 HydrophobicContact CB-CD1 4.36Å; F65-L71 HydrophobicContact CD1-CD1 3.54Å; F65-L71 HydrophobicContact CE1-CD1 3.93Å; F65-L71 HydrophobicContact CG-CD1 3.97Å; L71-S73 PolarHBondContact O-N 3.17Å; L71-L75 HydrophobicContact CD1-CD2 3.81Å; L71-L75 HydrophobicContact CD2-CD2 3.89Å; L71-L75 HydrophobicContact CD2-CG 4.44Å; L71-L75 HydrophobicContact CG-CB 4.42Å; L71-L75 HydrophobicContact CG-CD2 3.88Å; L71-R79 VanDerWaalsContact CD2-NH1 3.3Å
72D66.6Low72.3Confident92 Ų9274.3 Ų74.349%0.49242%0.424SS..  trans-53.2128.9179.5-166.9-69.9000110.8H74 L75 Q76D72-H74 PolarHBondContact O-N 3.48Å; D72-H74 VanDerWaalsContact O-N 3.07Å; D72-H74 VanDerWaalsContact OD1-CB 3.29Å; D72-H74 WeakPolarHBondContact OD1-CB 3.14Å; D72-H74 IonicContact OD1-CD2 3.1Å; D72-H74 PolarHBondContact OD1-CD2 2.95Å; D72-H74 IonicContact OD1-CG 3.49Å; D72-H74 PolarHBondContact OD1-N 2.89Å; D72-L75 WeakPolarHBondContact O-CB 3.4Å; D72-L75 PolarHBondContact O-N 3.45Å; D72-Q76 PolarHBondContact O-N 3.27Å
73S74.6Confident72.8Confident83 Ų8374.4 Ų74.458%0.5842%0.419SS*.Hα-helixtrans-56.6-28.4-174.258.50000112.4L71 L75 Q76 A77L71-S73 PolarHBondContact O-N 3.17Å; S73-L75 PolarHBondContact O-N 3.27Å; S73-Q76 PolarHBondContact O-N 3.16Å; S73-A77 PolarHBondContact O-N 3.29Å; S73-A77 VanDerWaalsContact O-N 3.08Å
74H77.3Confident73.6Confident58 Ų5874.8 Ų74.827%0.26942%0.415SS..Hα-helixtrans-66.7-35.1175.9-63.9-62.9000112.7D72 A77 C78 W137D72-H74 PolarHBondContact O-N 3.48Å; D72-H74 VanDerWaalsContact O-N 3.07Å; D72-H74 VanDerWaalsContact OD1-CB 3.29Å; D72-H74 WeakPolarHBondContact OD1-CB 3.14Å; D72-H74 IonicContact OD1-CD2 3.1Å; D72-H74 PolarHBondContact OD1-CD2 2.95Å; D72-H74 IonicContact OD1-CG 3.49Å; D72-H74 PolarHBondContact OD1-N 2.89Å; H74-A77 PolarHBondContact O-N 3.48Å; H74-C78 PolarHBondContact O-N 3.37Å; H74-C78 PolarHBondContact O-SG 3.45Å; H74-W137 AromaticContact ND1-NE1 3.48Å; H74-W137 PolarHBondContact ND1-NE1 3.37Å
75L78.8Confident74.6Confident23 Ų2367.3 Ų67.312%0.1238%0.383CS..Hα-helixtrans-71.2-36.7178.9-166.266.9000111.1L48 L71 D72 S73 C78 R79 Y138L48-L75 HydrophobicContact CD1-CD1 4.14Å; L71-L75 HydrophobicContact CD1-CD2 3.81Å; L71-L75 HydrophobicContact CD2-CD2 3.89Å; L71-L75 HydrophobicContact CD2-CG 4.44Å; L71-L75 HydrophobicContact CG-CB 4.42Å; L71-L75 HydrophobicContact CG-CD2 3.88Å; D72-L75 WeakPolarHBondContact O-CB 3.4Å; D72-L75 PolarHBondContact O-N 3.45Å; S73-L75 PolarHBondContact O-N 3.27Å; L75-C78 PolarHBondContact O-N 3.03Å; L75-R79 WeakPolarHBondContact O-CG 3.35Å; L75-R79 PolarHBondContact O-N 3.49Å; L75-Y138 HydrophobicContact CD1-CD2 4.23Å; L75-Y138 HydrophobicContact CD1-CE2 3.61Å
76Q84.1Confident75.9Confident101 Ų10165.7 Ų65.747%0.47238%0.377SS..Hα-helixtrans-65-41.6173.8-174.3171.6-9.500111.8D72 S73 R79 A80D72-Q76 PolarHBondContact O-N 3.27Å; S73-Q76 PolarHBondContact O-N 3.16Å; Q76-R79 PolarHBondContact O-N 2.92Å; Q76-A80 PolarHBondContact O-N 2.85Å
77A86.3Confident78.1Confident50 Ų5061.5 Ų61.541%0.41336%0.362SS..Hα-helixtrans-61.8-43.817400000111.9S73 H74 R79 A80 L81S73-A77 PolarHBondContact O-N 3.29Å; S73-A77 VanDerWaalsContact O-N 3.08Å; H74-A77 PolarHBondContact O-N 3.48Å; A77-R79 PolarHBondContact O-N 3.44Å; A77-A80 PolarHBondContact O-N 3.48Å; A77-L81 WeakPolarHBondContact O-CG 3.42Å; A77-L81 PolarHBondContact O-N 3.38Å
78C86.8Confident80.4Confident2 Ų258.9 Ų58.91%0.01435%0.345CS..Hα-helixtrans-61.5-42.2176.2-66.20000112H74 L75 L81 M82H74-C78 PolarHBondContact O-N 3.37Å; H74-C78 PolarHBondContact O-SG 3.45Å; L75-C78 PolarHBondContact O-N 3.03Å; C78-L81 PolarHBondContact O-N 2.87Å; C78-M82 VanDerWaalsContact O-CG 3.31Å; C78-M82 WeakPolarHBondContact O-CG 3.47Å; C78-M82 PolarHBondContact O-N 3.2Å
79R88.5Confident82.5Confident35 Ų3554.5 Ų54.513%0.13232%0.319CS..Hα-helixtrans-58.8-47.9173.7-75.7177-178.8172.15.2111.7L48 L71 L75 Q76 A77 L81 M82 I83L48-R79 HydrophobicContact CD1-CG 4.37Å; L48-R79 HydrophobicContact CD2-CG 3.88Å; L48-R79 HydrophobicContact CG-CG 3.76Å; L48-R79 PolarHBondContact O-NE 3.15Å; L48-R79 PolarHBondContact O-NH2 3.27Å; L71-R79 VanDerWaalsContact CD2-NH1 3.3Å; L75-R79 WeakPolarHBondContact O-CG 3.35Å; L75-R79 PolarHBondContact O-N 3.49Å; Q76-R79 PolarHBondContact O-N 2.92Å; A77-R79 PolarHBondContact O-N 3.44Å; R79-L81 PolarHBondContact O-N 3.2Å; R79-M82 PolarHBondContact O-N 2.86Å; R79-I83 WeakPolarHBondContact O-CD1 3.38Å; R79-I83 WeakPolarHBondContact O-CG1 3.45Å; R79-I83 PolarHBondContact O-N 3.06Å
80A90.6Very high85Confident57 Ų5750.5 Ų50.547%0.47130%0.298SS..Hα-helixtrans-60.7-44.9179.300000111.7Q76 A77 I83 L84Q76-A80 PolarHBondContact O-N 2.85Å; A77-A80 PolarHBondContact O-N 3.48Å; A80-I83 PolarHBondContact O-N 3.42Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.36Å
81L91.4Very high87.3Confident49 Ų4948.8 Ų48.826%0.25728%0.276SS..Hα-helixtrans-62.9-42.6177-70.9171.7000112.3A77 C78 R79 L84 S85 A134A77-L81 WeakPolarHBondContact O-CG 3.42Å; A77-L81 PolarHBondContact O-N 3.38Å; C78-L81 PolarHBondContact O-N 2.87Å; R79-L81 PolarHBondContact O-N 3.2Å; L81-L84 PolarHBondContact O-N 2.68Å; L81-S85 VanDerWaalsContact O-CB 3.29Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 2.97Å; L81-S85 PolarHBondContact O-OG 3.24Å; L81-A134 HydrophobicContact CB-CB 3.73Å; L81-A134 HydrophobicContact CD1-CB 4.03Å
82M91.6Very high88.9Confident0 Ų047.3 Ų47.30%027%0.268CS..Hα-helixtrans-64.3-44.9176.3-70.1-62.9-67.100111.5Q20 T24 W29 L48 C78 R79 L84 S85 L86 T131 A134 V135Q20-M82 HydrophobicContact CG-CE 4.26Å; T24-M82 WeakPolarHBondContact OG1-CE 3.41Å; W29-M82 HydrophobicContact CH2-CE 3.98Å; W29-M82 HydrophobicContact CH2-CG 4.06Å; W29-M82 HydrophobicContact CH2-SD 3.99Å; W29-M82 HydrophobicContact CZ2-CE 4.13Å; L48-M82 HydrophobicContact CD2-CB 4.37Å; L48-M82 HydrophobicContact CD2-CG 4.26Å; C78-M82 VanDerWaalsContact O-CG 3.31Å; C78-M82 WeakPolarHBondContact O-CG 3.47Å; C78-M82 PolarHBondContact O-N 3.2Å; R79-M82 PolarHBondContact O-N 2.86Å; M82-L84 PolarHBondContact O-N 3.06Å; M82-S85 PolarHBondContact O-N 3.25Å; M82-S85 PolarHBondContact O-OG 3.49Å; M82-L86 WeakPolarHBondContact O-CG 3.28Å; M82-L86 PolarHBondContact O-N 3.2Å; M82-T131 HydrophobicContact CE-CG2 4.17Å; M82-T131 HydrophobicContact SD-CG2 3.67Å; M82-A134 HydrophobicContact CG-CB 4.23Å; M82-A134 HydrophobicContact SD-CB 4.1Å; M82-V135 HydrophobicContact SD-CG2 4.27Å
83I93.1Very high90.2Very high70 Ų7043.8 Ų43.836%0.35925%0.249SC..Hα-helixtrans-63.7-42.6177-63.5161.9000111.2W49 R79 A80 L86 I87W49-I83 HydrophobicContact CH2-CD1 3.9Å; W49-I83 HydrophobicContact CH2-CG1 4.37Å; W49-I83 HydrophobicContact CZ2-CD1 4.43Å; W49-I83 HydrophobicContact CZ2-CG1 4.44Å; R79-I83 WeakPolarHBondContact O-CD1 3.38Å; R79-I83 WeakPolarHBondContact O-CG1 3.45Å; R79-I83 PolarHBondContact O-N 3.06Å; A80-I83 PolarHBondContact O-N 3.42Å; I83-L86 WeakPolarHBondContact O-CA 3.26Å; I83-L86 WeakPolarHBondContact O-CB 3.46Å; I83-L86 PolarHBondContact O-N 3.03Å; I83-L86 VanDerWaalsContact O-N 3.12Å; I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CG1 3.29Å; I83-I87 PolarHBondContact O-N 2.99Å
84L94.8Very high91.1Very high76 Ų7644.2 Ų44.240%0.39824%0.244SC..Hα-helixtrans-64.4-43.8178.2-177.559.3000111.3A80 L81 M82 L86 I87 L88 F130A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.36Å; L81-L84 PolarHBondContact O-N 2.68Å; M82-L84 PolarHBondContact O-N 3.06Å; L84-L86 PolarHBondContact O-N 3.43Å; L84-I87 PolarHBondContact O-N 3.05Å; L84-L88 HydrophobicContact CD1-CD1 4.44Å; L84-L88 HydrophobicContact CD1-CG 4.43Å; L84-L88 HydrophobicContact CG-CD1 4.18Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.37Å; L84-F130 HydrophobicContact CD2-CD2 3.78Å; L84-F130 HydrophobicContact CD2-CE2 3.39Å; L84-F130 HydrophobicContact CD2-CZ 4.31Å; L84-F130 HydrophobicContact CG-CD2 3.91Å; L84-F130 HydrophobicContact CG-CE2 3.84Å
85S94.9Very high91.8Very high0 Ų043.1 Ų43.10%024%0.241CC..Hα-helixtrans-59.5-35173.680.90000111.7Q20 L81 M82 G89 S127 T131Q20-S85 PolarHBondContact NE2-OG 3.05Å; L81-S85 VanDerWaalsContact O-CB 3.29Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 2.97Å; L81-S85 PolarHBondContact O-OG 3.24Å; M82-S85 PolarHBondContact O-N 3.25Å; M82-S85 PolarHBondContact O-OG 3.49Å; S85-G89 PolarHBondContact O-N 3.33Å; S85-S127 PolarHBondContact O-OG 2.97Å; S85-T131 VanDerWaalsContact CB-CG2 3.41Å; S85-T131 WeakPolarHBondContact OG-CG2 3.46Å
86L94.9Very high92.3Very high31 Ų3142.1 Ų42.116%0.16224%0.237CC..Hα-helixtrans-64.3-58.4174.1-76.4171.8000108.9W17 Q20 T24 M82 I83 L84 L88 G89 L90W17-L86 HydrophobicContact CE3-CD2 4.2Å; W17-L86 HydrophobicContact CH2-CB 3.51Å; W17-L86 HydrophobicContact CH2-CD2 3.36Å; W17-L86 HydrophobicContact CH2-CG 4.01Å; W17-L86 WeakPolarHBondContact CH2-O 3.35Å; W17-L86 HydrophobicContact CZ2-CB 4.49Å; W17-L86 HydrophobicContact CZ2-CD2 3.87Å; W17-L86 HydrophobicContact CZ3-CB 3.97Å; W17-L86 HydrophobicContact CZ3-CD2 3.58Å; W17-L86 HydrophobicContact CZ3-CG 4.32Å; W17-L86 WeakPolarHBondContact CZ3-O 3.35Å; Q20-L86 HydrophobicContact CB-CD2 4.3Å; Q20-L86 HydrophobicContact CG-CD2 4.18Å; T24-L86 HydrophobicContact CG2-CD1 4.2Å; M82-L86 WeakPolarHBondContact O-CG 3.28Å; M82-L86 PolarHBondContact O-N 3.2Å; I83-L86 WeakPolarHBondContact O-CA 3.26Å; I83-L86 WeakPolarHBondContact O-CB 3.46Å; I83-L86 PolarHBondContact O-N 3.03Å; I83-L86 VanDerWaalsContact O-N 3.12Å; L84-L86 PolarHBondContact O-N 3.43Å; L86-L88 PolarHBondContact O-N 3.48Å; L86-G89 PolarHBondContact O-N 3.01Å; L86-L90 PolarHBondContact O-N 3.3Å
87I96.3Very high92.6Very high108 Ų10840.9 Ų40.955%0.55423%0.233SC*.Hα-helixtrans-55.3-41.1-177.3-63.7165.4000112.1I83 L84 A91I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CG1 3.29Å; I83-I87 PolarHBondContact O-N 2.99Å; L84-I87 PolarHBondContact O-N 3.05Å; I87-A91 WeakPolarHBondContact O-CB 3.48Å; I87-A91 PolarHBondContact O-N 2.95Å
88L95.1Very high92.6Very high32 Ų3242.6 Ų42.617%0.16823%0.234CC..Hα-helixtrans-65.4-42.1175.5-69.3174.7000113.5L84 L86 A91 S92 L123 L126 F130L84-L88 HydrophobicContact CD1-CD1 4.44Å; L84-L88 HydrophobicContact CD1-CG 4.43Å; L84-L88 HydrophobicContact CG-CD1 4.18Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.37Å; L86-L88 PolarHBondContact O-N 3.48Å; L88-A91 PolarHBondContact O-N 2.9Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.37Å; L88-S92 PolarHBondContact O-N 3.39Å; L88-S92 PolarHBondContact O-OG 3.31Å; L88-L123 HydrophobicContact CD2-CD2 4.3Å; L88-L126 HydrophobicContact CD1-CD2 4.18Å; L88-L126 HydrophobicContact CD1-CG 4.27Å; L88-F130 HydrophobicContact CD1-CD2 3.7Å; L88-F130 HydrophobicContact CD1-CE2 3.59Å
89G95.1Very high92.4Very high0 Ų042.6 Ų42.60%023%0.234CC..Hα-helixtrans-64.8-43.1178.700000111.8W17 S85 L86 S92 I93W17-G89 VanDerWaalsContact CZ3-CA 3.5Å; S85-G89 PolarHBondContact O-N 3.33Å; L86-G89 PolarHBondContact O-N 3.01Å; G89-S92 WeakPolarHBondContact CA-OG 3.14Å; G89-S92 PolarHBondContact O-N 3.11Å; G89-S92 PolarHBondContact O-OG 3.45Å; G89-I93 WeakPolarHBondContact O-CG1 3.38Å; G89-I93 PolarHBondContact O-N 3.38Å; G89-I93 VanDerWaalsContact O-N 3.07Å
90L95.6Very high92.1Very high88 Ų8842 Ų4246%0.46123%0.234SC..Hα-helixtrans-63.4-46.6175.7-174.465.3000111.6W17 L86 S92 I93 I94W17-L90 HydrophobicContact CH2-CB 3.75Å; W17-L90 HydrophobicContact CZ2-CB 3.8Å; W17-L90 HydrophobicContact CZ2-CD1 4.35Å; W17-L90 HydrophobicContact CZ3-CB 4.29Å; L86-L90 PolarHBondContact O-N 3.3Å; L90-S92 VanDerWaalsContact C-N 3.28Å; L90-S92 PolarHBondContact O-N 3.36Å; L90-I93 PolarHBondContact O-N 3.26Å; L90-I94 HydrophobicContact CG-CD1 4.38Å; L90-I94 WeakPolarHBondContact O-CG1 3.36Å; L90-I94 PolarHBondContact O-N 3.47Å
91A95.4Very high91.1Very high38 Ų3845 Ų4531%0.31424%0.236SC..Hα-helixtrans-58.6-42176.100000111.4I87 L88 I93 I94 V95I87-A91 WeakPolarHBondContact O-CB 3.48Å; I87-A91 PolarHBondContact O-N 2.95Å; L88-A91 PolarHBondContact O-N 2.9Å; A91-I93 VanDerWaalsContact C-N 3.35Å; A91-I93 PolarHBondContact O-N 2.94Å; A91-I94 PolarHBondContact O-N 3.3Å; A91-V95 WeakPolarHBondContact O-CB 3.47Å; A91-V95 VanDerWaalsContact O-CG2 3.26Å; A91-V95 WeakPolarHBondContact O-CG2 2.72Å; A91-V95 PolarHBondContact O-N 2.87Å
92S94.3Very high89.9Confident0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-63.6-36.3178.675.10000113.1L88 G89 L90 S96 F124L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.37Å; L88-S92 PolarHBondContact O-N 3.39Å; L88-S92 PolarHBondContact O-OG 3.31Å; G89-S92 WeakPolarHBondContact CA-OG 3.14Å; G89-S92 PolarHBondContact O-N 3.11Å; G89-S92 PolarHBondContact O-OG 3.45Å; L90-S92 VanDerWaalsContact C-N 3.28Å; L90-S92 PolarHBondContact O-N 3.36Å; S92-S96 WeakPolarHBondContact O-CB 3.2Å; S92-S96 PolarHBondContact O-N 2.63Å; S92-S96 PolarHBondContact O-OG 3.18Å; S92-F124 WeakPolarHBondContact OG-CD2 3.39Å; S92-F124 VanDerWaalsContact OG-CE2 3.28Å; S92-F124 WeakPolarHBondContact OG-CE2 3.34Å
93I94.1Very high88.9Confident18 Ų1849 Ų499%0.09227%0.266CS..Hα-helixtrans-64.4-48.1175-67.6167.6000110V14 W17 G89 L90 A91 V95 S96 I97 F124V14-I93 HydrophobicContact CG2-CD1 4.32Å; V14-I93 HydrophobicContact CG2-CG1 4.49Å; V14-I93 HydrophobicContact CG2-CG2 4.36Å; W17-I93 HydrophobicContact CB-CD1 3.74Å; W17-I93 HydrophobicContact CD2-CD1 4.17Å; W17-I93 HydrophobicContact CG-CD1 3.66Å; G89-I93 WeakPolarHBondContact O-CG1 3.38Å; G89-I93 PolarHBondContact O-N 3.38Å; G89-I93 VanDerWaalsContact O-N 3.07Å; L90-I93 PolarHBondContact O-N 3.26Å; A91-I93 VanDerWaalsContact C-N 3.35Å; A91-I93 PolarHBondContact O-N 2.94Å; I93-V95 PolarHBondContact O-N 2.83Å; I93-S96 PolarHBondContact O-N 3.49Å; I93-I97 HydrophobicContact CG2-CD1 3.77Å; I93-I97 HydrophobicContact CG2-CG1 4.47Å; I93-I97 VanDerWaalsContact O-CG1 3.28Å; I93-I97 WeakPolarHBondContact O-CG1 3.35Å; I93-I97 PolarHBondContact O-N 3.29Å; I93-F124 HydrophobicContact CG1-CE2 3.92Å
94I93.4Very high87.2Confident93 Ų9355.7 Ų55.748%0.47729%0.292SS..Hα-helixtrans-59.7-50.3179.7-63.3167.2000110.1L90 A91 S96 I97 L98L90-I94 HydrophobicContact CG-CD1 4.38Å; L90-I94 WeakPolarHBondContact O-CG1 3.36Å; L90-I94 PolarHBondContact O-N 3.47Å; A91-I94 PolarHBondContact O-N 3.3Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 2.98Å; I94-I97 PolarHBondContact O-N 3.23Å; I94-L98 HydrophobicContact CG2-CD1 4.36Å; I94-L98 WeakPolarHBondContact O-CG 3.41Å; I94-L98 PolarHBondContact O-N 3.43Å; I94-L98 VanDerWaalsContact O-N 3.16Å
95V91.8Very high85.4Confident34 Ų3457.6 Ų57.621%0.20630%0.302CS..Hα-helixtrans-60.4-42.8178.3172.50000111.1A91 I93 I97 L98 G99 V116A91-V95 WeakPolarHBondContact O-CB 3.47Å; A91-V95 VanDerWaalsContact O-CG2 3.26Å; A91-V95 WeakPolarHBondContact O-CG2 2.72Å; A91-V95 PolarHBondContact O-N 2.87Å; I93-V95 PolarHBondContact O-N 2.83Å; V95-I97 PolarHBondContact O-N 3.38Å; V95-L98 PolarHBondContact O-N 3.02Å; V95-G99 PolarHBondContact O-N 2.93Å; V95-V116 HydrophobicContact CG1-CG1 3.93Å; V95-V116 VanDerWaalsContact CG1-O 3.24Å; V95-V116 WeakPolarHBondContact CG1-O 3.34Å; V95-V116 WeakPolarHBondContact O-CG1 2.72Å
96S90.4Very high83.6Confident3 Ų360.6 Ų60.62%0.02133%0.333CS..Hα-helixtrans-63.7-39.6178.7-62.10000112.4S92 I93 I94 L98 G99 L100S92-S96 WeakPolarHBondContact O-CB 3.2Å; S92-S96 PolarHBondContact O-N 2.63Å; S92-S96 PolarHBondContact O-OG 3.18Å; I93-S96 PolarHBondContact O-N 3.49Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 2.98Å; S96-L98 VanDerWaalsContact C-N 3.35Å; S96-G99 PolarHBondContact O-N 3.15Å; S96-L100 WeakPolarHBondContact O-CG 3.46Å; S96-L100 PolarHBondContact O-N 2.71Å
97I89.3Confident81.9Confident75 Ų7571.5 Ų71.539%0.38537%0.372SS..Hα-helixtrans-64.2-39.6177.1-69.1166.1000111.4L10 I93 I94 V95 G99 L100 T103L10-I97 HydrophobicContact CD1-CG1 4.24Å; L10-I97 HydrophobicContact CD2-CG1 4.37Å; I93-I97 HydrophobicContact CG2-CD1 3.77Å; I93-I97 HydrophobicContact CG2-CG1 4.47Å; I93-I97 VanDerWaalsContact O-CG1 3.28Å; I93-I97 WeakPolarHBondContact O-CG1 3.35Å; I93-I97 PolarHBondContact O-N 3.29Å; I94-I97 PolarHBondContact O-N 3.23Å; V95-I97 PolarHBondContact O-N 3.38Å; I97-G99 VanDerWaalsContact C-N 3.3Å; I97-G99 PolarHBondContact O-N 3.42Å; I97-L100 HydrophobicContact CB-CD1 4.45Å; I97-L100 HydrophobicContact CG2-CD1 4.48Å; I97-L100 PolarHBondContact O-N 2.69Å; I97-T103 PolarHBondContact O-OG1 3.45Å
98L87.5Confident80.4Confident85 Ų8572.7 Ų72.745%0.44538%0.377SS..Hα-helixtrans-67-31.6175.7-63.9174.2000112I94 V95 S96 I105 V116I94-L98 HydrophobicContact CG2-CD1 4.36Å; I94-L98 WeakPolarHBondContact O-CG 3.41Å; I94-L98 PolarHBondContact O-N 3.43Å; I94-L98 VanDerWaalsContact O-N 3.16Å; V95-L98 PolarHBondContact O-N 3.02Å; S96-L98 VanDerWaalsContact C-N 3.35Å; L98-I105 HydrophobicContact CD2-CD1 4.32Å; L98-V116 HydrophobicContact CB-CG1 4.26Å
99G81.9Confident79.5Confident2 Ų274 Ų742%0.02139%0.392CS..THydrogen-bonded Turntrans-78.5-8.3176.600000115.7Q6 V95 S96 I97 K101Q6-G99 PolarHBondContact NE2-O 2.97Å; V95-G99 PolarHBondContact O-N 2.93Å; S96-G99 PolarHBondContact O-N 3.15Å; I97-G99 VanDerWaalsContact C-N 3.3Å; I97-G99 PolarHBondContact O-N 3.42Å; G99-K101 PolarHBondContact O-N 3.07Å
100L82.1Confident78.6Confident24 Ų2481.3 Ų81.313%0.12643%0.426CS..  trans-69.1127-178.2-72165.2000112.1Q6 L10 S96 I97 C102 T103 K113Q6-L100 HydrophobicContact CG-CD2 3.8Å; L10-L100 HydrophobicContact CD2-CD1 3.9Å; L10-L100 HydrophobicContact CD2-CD2 4.44Å; S96-L100 WeakPolarHBondContact O-CG 3.46Å; S96-L100 PolarHBondContact O-N 2.71Å; I97-L100 HydrophobicContact CB-CD1 4.45Å; I97-L100 HydrophobicContact CG2-CD1 4.48Å; I97-L100 PolarHBondContact O-N 2.69Å; L100-C102 PolarHBondContact O-N 3.41Å; L100-T103 PolarHBondContact O-N 2.86Å; L100-K113 WeakPolarHBondContact O-CE 2.99Å; L100-K113 PolarHBondContact O-NZ 3.24Å
101K70.4Confident77.7Confident118 Ų11883.4 Ų83.451%0.51343%0.434SS..THydrogen-bonded Turntrans-52.7-29.3178-71.3-168.6175.4176.30113.4G99 K113 S188G99-K101 PolarHBondContact O-N 3.07Å; K101-K113 VanDerWaalsContact C-NZ 3.33Å; K101-K113 VanDerWaalsContact CA-NZ 3.34Å; K101-K113 PolarHBondContact O-NZ 3.42Å; K101-S188 PolarHBondContact NZ-OG 2.64Å
102C66.3Low77.1Confident101 Ų10185.1 Ų85.168%0.68244%0.44SS*.THydrogen-bonded Turntrans-74.7-19.6177.1-55.30000115.2L100 K104L100-C102 PolarHBondContact O-N 3.41Å; C102-K104 PolarHBondContact O-N 3.27Å
103T69.3Low76.5Confident32 Ų3287 Ų8720%0.19645%0.448CS..  trans-83.9109.1179.6-51.10000110.2I97 L100 I105 K113I97-T103 PolarHBondContact O-OG1 3.45Å; L100-T103 PolarHBondContact O-N 2.86Å; T103-I105 HydrophobicContact CG2-CB 4.22Å; T103-I105 HydrophobicContact CG2-CD1 3.64Å; T103-I105 HydrophobicContact CG2-CG1 3.99Å; T103-I105 PolarHBondContact O-N 2.95Å; T103-K113 PolarHBondContact O-NZ 3.07Å
104K58.8Low75.8Confident211 Ų21187.8 Ų87.892%0.91745%0.452SS*.  trans-90.270.2176.6-123-172.5-173.3-177.70110.1C102C102-K104 PolarHBondContact O-N 3.27Å
105I56.9Low75.4Confident116 Ų11689 Ų8960%0.59546%0.455SS*.  trans-105.6102.4173.2-82.5166.1000108.2L98 T103L98-I105 HydrophobicContact CD2-CD1 4.32Å; T103-I105 HydrophobicContact CG2-CB 4.22Å; T103-I105 HydrophobicContact CG2-CD1 3.64Å; T103-I105 HydrophobicContact CG2-CG1 3.99Å; T103-I105 PolarHBondContact O-N 2.95Å
106G57.6Low75.3Confident64 Ų6489.5 Ų89.566%0.6646%0.459SS*.SBendtrans79.2167176.500000116.5M108G106-M108 PolarHBondContact O-N 3.47Å; G106-M108 VanDerWaalsContact O-N 3.08Å
107R58.7Low75.2Confident260 Ų26089.6 Ų89.698%0.98146%0.459SS*.SBendtrans-79.855.5167.6-73.3172.586.4141.1-0.9110
108M65Low75.2Confident132 Ų13288.6 Ų88.665%0.6545%0.454SS*.  trans-80.1134.7175.5-67.3-65.2173.200109.7G106G106-M108 PolarHBondContact O-N 3.47Å; G106-M108 VanDerWaalsContact O-N 3.08Å
109A75.7Confident75.4Confident60 Ų6087 Ų8750%0.49645%0.451SS..  trans-60.7141.6173.800000110.2Q111 V112 K113A109-Q111 PolarHBondContact O-N 3.47Å; A109-Q111 VanDerWaalsContact O-N 3.09Å; A109-V112 HydrophobicContact CB-CG2 4.35Å; A109-V112 PolarHBondContact O-N 3.48Å; A109-K113 PolarHBondContact O-N 3.17Å
110E76.2Confident75.9Confident153 Ų15387 Ų8772%0.71545%0.45SS*.Hα-helixtrans-56.5-31-178.9-66.2-167.1144.300112.7K113 E114E110-K113 WeakPolarHBondContact O-CB 3.29Å; E110-K113 PolarHBondContact O-N 3.29Å; E110-E114 PolarHBondContact O-N 2.92Å
111Q76.6Confident76.4Confident133 Ų13385.8 Ų85.862%0.62144%0.444SS*.Hα-helixtrans-61.8-44.5175.3-63.1-63.1-52.600112.5A109 K113 E114 Q115A109-Q111 PolarHBondContact O-N 3.47Å; A109-Q111 VanDerWaalsContact O-N 3.09Å; Q111-K113 VanDerWaalsContact C-N 3.31Å; Q111-K113 PolarHBondContact O-N 2.94Å; Q111-E114 PolarHBondContact O-N 3.45Å; Q111-Q115 WeakPolarHBondContact O-CG 3.29Å; Q111-Q115 PolarHBondContact O-N 3.06Å; Q111-Q115 VanDerWaalsContact O-N 3.15Å
112V82.6Confident77.5Confident74 Ų7484 Ų8445%0.44844%0.442SS..Hα-helixtrans-66.7-39.4178.9177.80000110.1A109 E114 Q115 V116A109-V112 HydrophobicContact CB-CG2 4.35Å; A109-V112 PolarHBondContact O-N 3.48Å; V112-E114 VanDerWaalsContact C-N 3.31Å; V112-E114 PolarHBondContact O-N 3.41Å; V112-Q115 PolarHBondContact O-N 3.37Å; V112-V116 HydrophobicContact CG1-CG2 4.37Å; V112-V116 VanDerWaalsContact O-CG2 3.26Å; V112-V116 WeakPolarHBondContact O-CG2 3.37Å; V112-V116 PolarHBondContact O-N 3.01Å
113K81Confident78.9Confident39 Ų3981.5 Ų81.517%0.1742%0.422CS..Hα-helixtrans-63.1-37.7178.4-168168.9-177.3172.60112.5L100 K101 T103 A109 E110 Q111 V116 A117L100-K113 WeakPolarHBondContact O-CE 2.99Å; L100-K113 PolarHBondContact O-NZ 3.24Å; K101-K113 VanDerWaalsContact C-NZ 3.33Å; K101-K113 VanDerWaalsContact CA-NZ 3.34Å; K101-K113 PolarHBondContact O-NZ 3.42Å; T103-K113 PolarHBondContact O-NZ 3.07Å; A109-K113 PolarHBondContact O-N 3.17Å; E110-K113 WeakPolarHBondContact O-CB 3.29Å; E110-K113 PolarHBondContact O-N 3.29Å; Q111-K113 VanDerWaalsContact C-N 3.31Å; Q111-K113 PolarHBondContact O-N 2.94Å; K113-V116 PolarHBondContact O-N 3.1Å; K113-A117 PolarHBondContact O-N 3.3Å
114E81.3Confident80.1Confident34 Ų3480.1 Ų80.116%0.15941%0.413CS..Hα-helixtrans-67.3-42.3174.7-169.1171.7151.100112.1E110 Q111 V112 V116 A117 L118 C185 S188E110-E114 PolarHBondContact O-N 2.92Å; Q111-E114 PolarHBondContact O-N 3.45Å; V112-E114 VanDerWaalsContact C-N 3.31Å; V112-E114 PolarHBondContact O-N 3.41Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.93Å; E114-A117 PolarHBondContact O-N 3.11Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 PolarHBondContact O-N 2.79Å; E114-C185 HydrophobicContact CG-CB 3.86Å; E114-S188 VanDerWaalsContact OE2-CB 3.29Å; E114-S188 WeakPolarHBondContact OE2-CB 3.41Å; E114-S188 PolarHBondContact OE2-OG 2.98Å
115Q85Confident81.9Confident119 Ų11972.6 Ų72.656%0.55638%0.383SS*.Hα-helixtrans-63.4-38.7175.4-65.7-64-25.500112.2Q111 V112 L118 S119Q111-Q115 WeakPolarHBondContact O-CG 3.29Å; Q111-Q115 PolarHBondContact O-N 3.06Å; Q111-Q115 VanDerWaalsContact O-N 3.15Å; V112-Q115 PolarHBondContact O-N 3.37Å; Q115-L118 PolarHBondContact O-N 2.77Å; Q115-S119 PolarHBondContact O-N 3.43Å; Q115-S119 PolarHBondContact O-OG 2.98Å
116V88.4Confident83.8Confident45 Ų4570.5 Ų70.527%0.27337%0.372SS..Hα-helixtrans-66.1-41.5175.2172.10000111.2V95 L98 V112 K113 E114 L118 S119 G120V95-V116 HydrophobicContact CG1-CG1 3.93Å; V95-V116 VanDerWaalsContact CG1-O 3.24Å; V95-V116 WeakPolarHBondContact CG1-O 3.34Å; V95-V116 WeakPolarHBondContact O-CG1 2.72Å; L98-V116 HydrophobicContact CB-CG1 4.26Å; V112-V116 HydrophobicContact CG1-CG2 4.37Å; V112-V116 VanDerWaalsContact O-CG2 3.26Å; V112-V116 WeakPolarHBondContact O-CG2 3.37Å; V112-V116 PolarHBondContact O-N 3.01Å; K113-V116 PolarHBondContact O-N 3.1Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.93Å; V116-L118 VanDerWaalsContact C-N 3.34Å; V116-L118 PolarHBondContact O-N 2.91Å; V116-S119 PolarHBondContact O-N 3.26Å; V116-S119 PolarHBondContact O-OG 2.9Å; V116-G120 PolarHBondContact O-N 3.09Å
117A88Confident85.6Confident4 Ų467.6 Ų67.63%0.03334%0.342CS..Hα-helixtrans-64.4-39.5174.800000112.1K113 E114 G120 G121K113-A117 PolarHBondContact O-N 3.3Å; E114-A117 PolarHBondContact O-N 3.11Å; A117-G120 PolarHBondContact O-N 3.25Å; A117-G121 PolarHBondContact O-N 3.43Å; A117-G121 VanDerWaalsContact O-N 3.15Å
118L89.5Confident87.3Confident54 Ų5455.2 Ų55.228%0.28330%0.295SS..Hα-helixtrans-65.5-45.4176.8-177.465.4000111.8E114 Q115 V116 G120 G121 V122 C182E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 PolarHBondContact O-N 2.79Å; Q115-L118 PolarHBondContact O-N 2.77Å; V116-L118 VanDerWaalsContact C-N 3.34Å; V116-L118 PolarHBondContact O-N 2.91Å; L118-G120 VanDerWaalsContact C-N 3.3Å; L118-G120 PolarHBondContact O-N 3.29Å; L118-G121 PolarHBondContact O-N 2.98Å; L118-V122 WeakPolarHBondContact O-CG2 3.06Å; L118-V122 PolarHBondContact O-N 2.98Å; L118-C182 HydrophobicContact CD1-CB 4.09Å
119S91.9Very high88.8Confident53 Ų5351.7 Ų51.737%0.37128%0.281SS..Hα-helixtrans-63.3-37.6177.767.40000111.7Q115 V116 G121 V122 L123Q115-S119 PolarHBondContact O-N 3.43Å; Q115-S119 PolarHBondContact O-OG 2.98Å; V116-S119 PolarHBondContact O-N 3.26Å; V116-S119 PolarHBondContact O-OG 2.9Å; S119-G121 PolarHBondContact O-N 2.97Å; S119-V122 PolarHBondContact O-N 3.33Å; S119-L123 VanDerWaalsContact O-CG 3.3Å; S119-L123 WeakPolarHBondContact O-CG 3.17Å; S119-L123 PolarHBondContact O-N 3.41Å
120G92.2Very high89.7Confident0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-56.7-47.5171.300000112.8V116 A117 L118 L123 F124V116-G120 PolarHBondContact O-N 3.09Å; A117-G120 PolarHBondContact O-N 3.25Å; L118-G120 VanDerWaalsContact C-N 3.3Å; L118-G120 PolarHBondContact O-N 3.29Å; G120-L123 PolarHBondContact O-N 3.01Å; G120-F124 PolarHBondContact O-N 3.29Å
121G92.8Very high90.6Very high0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-62.7-41.1176.800000113.7A117 L118 S119 F124 I125A117-G121 PolarHBondContact O-N 3.43Å; A117-G121 VanDerWaalsContact O-N 3.15Å; L118-G121 PolarHBondContact O-N 2.98Å; S119-G121 PolarHBondContact O-N 2.97Å; G121-F124 VanDerWaalsContact O-CB 3.3Å; G121-F124 WeakPolarHBondContact O-CB 3.42Å; G121-F124 PolarHBondContact O-N 2.78Å; G121-I125 WeakPolarHBondContact O-CG1 3.48Å; G121-I125 PolarHBondContact O-N 3.12Å
122V94.8Very high91.4Very high80 Ų8040.4 Ų40.449%0.48522%0.218SC..Hα-helixtrans-64.6-44.4177.1173.90000111.5L118 S119 F124 I125 L126L118-V122 WeakPolarHBondContact O-CG2 3.06Å; L118-V122 PolarHBondContact O-N 2.98Å; S119-V122 PolarHBondContact O-N 3.33Å; V122-F124 PolarHBondContact O-N 2.93Å; V122-I125 PolarHBondContact O-N 2.93Å; V122-L126 PolarHBondContact O-N 3.08Å
123L95Very high91.9Very high48 Ų4839.9 Ų39.925%0.25122%0.215SC..Hα-helixtrans-60.9-36175-69.6171.9000111.6L88 S119 G120 L126 S127L88-L123 HydrophobicContact CD2-CD2 4.3Å; S119-L123 VanDerWaalsContact O-CG 3.3Å; S119-L123 WeakPolarHBondContact O-CG 3.17Å; S119-L123 PolarHBondContact O-N 3.41Å; G120-L123 PolarHBondContact O-N 3.01Å; L123-L126 PolarHBondContact O-N 3.31Å; L123-S127 WeakPolarHBondContact O-CB 3.38Å; L123-S127 PolarHBondContact O-N 2.64Å
124F94.8Very high92.4Very high4 Ų438 Ų382%0.01821%0.207CC..Hα-helixtrans-63.2-45.7176.1-139.9-67.7000112.1G13 S16 S92 I93 G120 G121 V122 S127 G128 A174G13-F124 WeakPolarHBondContact O-CZ 3.37Å; S16-F124 WeakPolarHBondContact OG-CE1 3.48Å; S16-F124 VanDerWaalsContact OG-CZ 3.29Å; S16-F124 WeakPolarHBondContact OG-CZ 2.75Å; S92-F124 WeakPolarHBondContact OG-CD2 3.39Å; S92-F124 VanDerWaalsContact OG-CE2 3.28Å; S92-F124 WeakPolarHBondContact OG-CE2 3.34Å; I93-F124 HydrophobicContact CG1-CE2 3.92Å; G120-F124 PolarHBondContact O-N 3.29Å; G121-F124 VanDerWaalsContact O-CB 3.3Å; G121-F124 WeakPolarHBondContact O-CB 3.42Å; G121-F124 PolarHBondContact O-N 2.78Å; V122-F124 PolarHBondContact O-N 2.93Å; F124-S127 PolarHBondContact O-N 3.49Å; F124-G128 PolarHBondContact O-N 3.06Å; F124-G128 VanDerWaalsContact O-N 3.07Å; F124-A174 HydrophobicContact CD1-CB 3.77Å; F124-A174 VanDerWaalsContact CD1-O 3.23Å; F124-A174 WeakPolarHBondContact CD1-O 3.29Å; F124-A174 HydrophobicContact CE1-CB 3.53Å
125I96.1Very high92.8Very high53 Ų5336.4 Ų36.427%0.27220%0.2SC..Hα-helixtrans-62.3-45.1175.6-65168.2000110.2G121 V122 S127 G128 V129G121-I125 WeakPolarHBondContact O-CG1 3.48Å; G121-I125 PolarHBondContact O-N 3.12Å; V122-I125 PolarHBondContact O-N 2.93Å; I125-S127 VanDerWaalsContact C-N 3.35Å; I125-S127 PolarHBondContact O-N 2.9Å; I125-G128 PolarHBondContact O-N 2.96Å; I125-G128 VanDerWaalsContact O-N 3.17Å; I125-V129 HydrophobicContact CG2-CG2 4.34Å; I125-V129 WeakPolarHBondContact O-CG2 3.47Å; I125-V129 PolarHBondContact O-N 3.31Å
126L95.9Very high93.1Very high72 Ų7232.3 Ų32.338%0.37719%0.185SC..Hα-helixtrans-62-42.2179.9-172.363.5000112L88 V122 L123 G128 V129 F130L88-L126 HydrophobicContact CD1-CD2 4.18Å; L88-L126 HydrophobicContact CD1-CG 4.27Å; V122-L126 PolarHBondContact O-N 3.08Å; L123-L126 PolarHBondContact O-N 3.31Å; L126-G128 VanDerWaalsContact C-N 3.35Å; L126-G128 PolarHBondContact O-N 3.05Å; L126-V129 PolarHBondContact O-N 2.86Å; L126-F130 HydrophobicContact CD1-CD1 4.48Å; L126-F130 HydrophobicContact CD1-CE1 3.95Å; L126-F130 HydrophobicContact CD1-CZ 4.05Å; L126-F130 HydrophobicContact CG-CE1 4.49Å; L126-F130 HydrophobicContact CG-CE2 4.4Å; L126-F130 HydrophobicContact CG-CZ 4.25Å; L126-F130 PolarHBondContact O-N 2.95Å
127S96.3Very high93.2Very high2 Ų236.9 Ų36.91%0.01420%0.197CC..Hα-helixtrans-57.3-46.9172.7174.50000111.6Q20 S85 L123 F124 I125 V129 F130 T131Q20-S127 PolarHBondContact NE2-OG 2.99Å; S85-S127 PolarHBondContact O-OG 2.97Å; L123-S127 WeakPolarHBondContact O-CB 3.38Å; L123-S127 PolarHBondContact O-N 2.64Å; F124-S127 PolarHBondContact O-N 3.49Å; I125-S127 VanDerWaalsContact C-N 3.35Å; I125-S127 PolarHBondContact O-N 2.9Å; S127-V129 PolarHBondContact O-N 2.84Å; S127-F130 PolarHBondContact O-N 3.49Å; S127-T131 PolarHBondContact O-N 2.92Å; S127-T131 PolarHBondContact O-OG1 3.35Å
128G95.2Very high93Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-63.5-36.5177.400000113.8F124 I125 L126 T131 L132 S171F124-G128 PolarHBondContact O-N 3.06Å; F124-G128 VanDerWaalsContact O-N 3.07Å; I125-G128 PolarHBondContact O-N 2.96Å; I125-G128 VanDerWaalsContact O-N 3.17Å; L126-G128 VanDerWaalsContact C-N 3.35Å; L126-G128 PolarHBondContact O-N 3.05Å; G128-T131 PolarHBondContact O-N 2.87Å; G128-T131 PolarHBondContact O-OG1 3.47Å; G128-L132 WeakPolarHBondContact O-CB 3.16Å; G128-L132 PolarHBondContact O-N 2.68Å; G128-S171 WeakPolarHBondContact O-CB 3.37Å; G128-S171 PolarHBondContact O-OG 3.37Å
129V96.1Very high92.9Very high59 Ų5935.6 Ų35.636%0.35819%0.189SC..Hα-helixtrans-68.8-39.8177.1171.60000111.3I125 L126 S127 T131 L132 T133I125-V129 HydrophobicContact CG2-CG2 4.34Å; I125-V129 WeakPolarHBondContact O-CG2 3.47Å; I125-V129 PolarHBondContact O-N 3.31Å; L126-V129 PolarHBondContact O-N 2.86Å; S127-V129 PolarHBondContact O-N 2.84Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.34Å; V129-L132 PolarHBondContact O-N 2.91Å; V129-T133 WeakPolarHBondContact O-CB 2.94Å; V129-T133 PolarHBondContact O-N 3.35Å; V129-T133 PolarHBondContact O-OG1 2.92Å
130F94.4Very high92.5Very high52 Ų5235.2 Ų35.223%0.22819%0.189CC..Hα-helixtrans-63.7-38.9176.1-75.6-3.2000112.2L84 L88 L126 S127 T133 A134L84-F130 HydrophobicContact CD2-CD2 3.78Å; L84-F130 HydrophobicContact CD2-CE2 3.39Å; L84-F130 HydrophobicContact CD2-CZ 4.31Å; L84-F130 HydrophobicContact CG-CD2 3.91Å; L84-F130 HydrophobicContact CG-CE2 3.84Å; L88-F130 HydrophobicContact CD1-CD2 3.7Å; L88-F130 HydrophobicContact CD1-CE2 3.59Å; L126-F130 HydrophobicContact CD1-CD1 4.48Å; L126-F130 HydrophobicContact CD1-CE1 3.95Å; L126-F130 HydrophobicContact CD1-CZ 4.05Å; L126-F130 HydrophobicContact CG-CE1 4.49Å; L126-F130 HydrophobicContact CG-CE2 4.4Å; L126-F130 HydrophobicContact CG-CZ 4.25Å; L126-F130 PolarHBondContact O-N 2.95Å; S127-F130 PolarHBondContact O-N 3.49Å; F130-T133 PolarHBondContact O-N 3.48Å; F130-A134 WeakPolarHBondContact O-CB 3.24Å; F130-A134 PolarHBondContact O-N 3.35Å
131T93.8Very high92.1Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-71.7-38.7173.548.50000114Q20 M82 S85 S127 G128 V129 T133 A134 V135Q20-T131 HydrophobicContact CG-CG2 3.66Å; Q20-T131 PolarHBondContact OE1-OG1 2.96Å; Q20-T131 VanDerWaalsContact OE1-OG1 3.08Å; M82-T131 HydrophobicContact CE-CG2 4.17Å; M82-T131 HydrophobicContact SD-CG2 3.67Å; S85-T131 VanDerWaalsContact CB-CG2 3.41Å; S85-T131 WeakPolarHBondContact OG-CG2 3.46Å; S127-T131 PolarHBondContact O-N 2.92Å; S127-T131 PolarHBondContact O-OG1 3.35Å; G128-T131 PolarHBondContact O-N 2.87Å; G128-T131 PolarHBondContact O-OG1 3.47Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.34Å; T131-T133 PolarHBondContact O-N 3.18Å; T131-A134 PolarHBondContact O-N 2.75Å; T131-V135 WeakPolarHBondContact O-CB 3.44Å; T131-V135 WeakPolarHBondContact O-CG2 3.14Å; T131-V135 PolarHBondContact O-N 2.87Å
132L94.3Very high91.4Very high56 Ų5640.2 Ų40.229%0.29321%0.208SC..Hα-helixtrans-57-45.9173.1-163.658.7000110.6G128 V129 S136 W168 S171G128-L132 WeakPolarHBondContact O-CB 3.16Å; G128-L132 PolarHBondContact O-N 2.68Å; V129-L132 PolarHBondContact O-N 2.91Å; L132-S136 WeakPolarHBondContact O-CB 3.38Å; L132-S136 PolarHBondContact O-N 3.16Å; L132-S136 PolarHBondContact O-OG 3.35Å; L132-W168 HydrophobicContact CD1-CD2 4.28Å; L132-W168 HydrophobicContact CD1-CE3 3.9Å; L132-W168 HydrophobicContact CD1-CZ3 4.1Å; L132-S171 WeakPolarHBondContact CB-OG 3.43Å
133T94.1Very high90.6Very high63 Ų6339.4 Ų39.439%0.38720%0.2SC..Hα-helixtrans-63.8-48.7-179.3-540000110.9V129 F130 T131 V135 W137V129-T133 WeakPolarHBondContact O-CB 2.94Å; V129-T133 PolarHBondContact O-N 3.35Å; V129-T133 PolarHBondContact O-OG1 2.92Å; F130-T133 PolarHBondContact O-N 3.48Å; T131-T133 PolarHBondContact O-N 3.18Å; T133-V135 PolarHBondContact O-N 3.1Å; T133-W137 WeakPolarHBondContact O-CB 2.86Å; T133-W137 PolarHBondContact O-N 3.04Å
134A91Very high89.9Confident0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-60-48.9179.200000112.2L81 M82 F130 T131 Y138L81-A134 HydrophobicContact CB-CB 3.73Å; L81-A134 HydrophobicContact CD1-CB 4.03Å; M82-A134 HydrophobicContact CG-CB 4.23Å; M82-A134 HydrophobicContact SD-CB 4.1Å; F130-A134 WeakPolarHBondContact O-CB 3.24Å; F130-A134 PolarHBondContact O-N 3.35Å; T131-A134 PolarHBondContact O-N 2.75Å; A134-Y138 WeakPolarHBondContact O-CB 3.31Å; A134-Y138 PolarHBondContact O-N 3.49Å
135V90.1Very high88.9Confident0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-71.8-38.1-176.5-178.40000111W29 M82 T131 T133 A139 L164 W168W29-V135 HydrophobicContact CH2-CG2 4.13Å; W29-V135 HydrophobicContact CZ3-CG2 4.28Å; M82-V135 HydrophobicContact SD-CG2 4.27Å; T131-V135 WeakPolarHBondContact O-CB 3.44Å; T131-V135 WeakPolarHBondContact O-CG2 3.14Å; T131-V135 PolarHBondContact O-N 2.87Å; T133-V135 PolarHBondContact O-N 3.1Å; V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 2.68Å; V135-L164 HydrophobicContact CG1-CB 4.06Å; V135-L164 HydrophobicContact CG1-CD2 3.73Å; V135-L164 HydrophobicContact CG1-CG 3.86Å; V135-W168 HydrophobicContact CG1-CG 4.46Å
136S91.1Very high87.6Confident34 Ų3445.4 Ų45.424%0.23823%0.228CC..Hα-helixtrans-69.9-40.3177-58.80000112L132 Y138 A139 A140 W168L132-S136 WeakPolarHBondContact O-CB 3.38Å; L132-S136 PolarHBondContact O-N 3.16Å; L132-S136 PolarHBondContact O-OG 3.35Å; S136-Y138 VanDerWaalsContact C-N 3.35Å; S136-A139 PolarHBondContact O-N 2.89Å; S136-A140 WeakPolarHBondContact O-CB 3.08Å; S136-A140 PolarHBondContact O-N 3.18Å; S136-W168 VanDerWaalsContact OG-CZ2 3.28Å; S136-W168 WeakPolarHBondContact OG-CZ2 3.5Å
137W90.1Very high86.4Confident141 Ų14150.6 Ų50.653%0.53424%0.244SC..Hα-helixtrans-61.4-46.5174.9-168.8-74.5000110.8H74 T133 A139 A140 R141H74-W137 AromaticContact ND1-NE1 3.48Å; H74-W137 PolarHBondContact ND1-NE1 3.37Å; T133-W137 WeakPolarHBondContact O-CB 2.86Å; T133-W137 PolarHBondContact O-N 3.04Å; W137-A139 PolarHBondContact O-N 3.31Å; W137-A140 PolarHBondContact O-N 2.78Å; W137-R141 WeakPolarHBondContact O-CG 3.47Å; W137-R141 PolarHBondContact O-N 3.06Å; W137-R141 VanDerWaalsContact O-N 3.07Å
138Y84.3Confident85.2Confident27 Ų2753.8 Ų53.811%0.10626%0.261CS..Hα-helixtrans-61.2-43.6176.2-168-100.3000111.8W29 K30 L75 A134 S136 A140 R141 I142 L164W29-Y138 HydrophobicContact CB-CE1 3.92Å; W29-Y138 AromaticContact CE3-CD1 3.88Å; W29-Y138 HydrophobicContact CE3-CD1 3.88Å; W29-Y138 HydrophobicContact CE3-CE1 4.09Å; W29-Y138 HydrophobicContact CE3-CG 4.29Å; K30-Y138 HydrophobicContact CB-CE1 4.41Å; L75-Y138 HydrophobicContact CD1-CD2 4.23Å; L75-Y138 HydrophobicContact CD1-CE2 3.61Å; A134-Y138 WeakPolarHBondContact O-CB 3.31Å; A134-Y138 PolarHBondContact O-N 3.49Å; S136-Y138 VanDerWaalsContact C-N 3.35Å; Y138-A140 PolarHBondContact O-N 3.21Å; Y138-R141 PolarHBondContact O-N 3.01Å; Y138-I142 HydrophobicContact CD1-CD1 3.71Å; Y138-I142 HydrophobicContact CE1-CD1 3.39Å; Y138-I142 HydrophobicContact CE1-CG1 4.29Å; Y138-I142 WeakPolarHBondContact O-CG1 3.41Å; Y138-I142 PolarHBondContact O-N 2.77Å; Y138-I142 VanDerWaalsContact O-N 3.12Å; Y138-L164 HydrophobicContact CD1-CD1 4.02Å; Y138-L164 HydrophobicContact CD1-CD2 4.24Å; Y138-L164 HydrophobicContact CD1-CG 4.45Å; Y138-L164 HydrophobicContact CE1-CD1 4.19Å
139A85.6Confident83.7Confident4 Ų458.6 Ų58.63%0.03329%0.292CS..Hα-helixtrans-61.7-43.2175.800000112.9V135 S136 W137 I142 I143 L164V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 2.68Å; S136-A139 PolarHBondContact O-N 2.89Å; W137-A139 PolarHBondContact O-N 3.31Å; A139-I142 PolarHBondContact O-N 3.33Å; A139-I143 VanDerWaalsContact O-CG1 3.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.36Å; A139-I143 PolarHBondContact O-N 3.38Å; A139-L164 HydrophobicContact CB-CD2 3.59Å
140A85.4Confident82.2Confident45 Ų4564.8 Ų64.837%0.37231%0.314SS..Hα-helixtrans-63.9-40.2179.700000111.7S136 W137 Y138 I143 N144S136-A140 WeakPolarHBondContact O-CB 3.08Å; S136-A140 PolarHBondContact O-N 3.18Å; W137-A140 PolarHBondContact O-N 2.78Å; Y138-A140 PolarHBondContact O-N 3.21Å; A140-I143 PolarHBondContact O-N 2.93Å; A140-N144 PolarHBondContact O-N 3.17Å; A140-N144 PolarHBondContact O-ND2 3.02Å
141R82.6Confident80.3Confident101 Ų10167.4 Ų67.438%0.38133%0.327SS..Hα-helixtrans-63.5-44174.6-68.7-65-66.7-165.2-6.1112W137 Y138 I143 N144 E145W137-R141 WeakPolarHBondContact O-CG 3.47Å; W137-R141 PolarHBondContact O-N 3.06Å; W137-R141 VanDerWaalsContact O-N 3.07Å; Y138-R141 PolarHBondContact O-N 3.01Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 3.48Å; R141-N144 PolarHBondContact O-N 3.15Å; R141-E145 PolarHBondContact O-N 2.9Å
142I77.4Confident78.1Confident3 Ų370.4 Ų70.42%0.01535%0.352CS..Hα-helixtrans-57-48.2173.7-71.6172.3000110.3K30 Y138 A139 N144 E145 F146 T158K30-I142 HydrophobicContact CB-CD1 4.16Å; K30-I142 HydrophobicContact CD-CD1 4.14Å; K30-I142 HydrophobicContact CD-CG1 4.11Å; K30-I142 HydrophobicContact CG-CD1 4.12Å; Y138-I142 HydrophobicContact CD1-CD1 3.71Å; Y138-I142 HydrophobicContact CE1-CD1 3.39Å; Y138-I142 HydrophobicContact CE1-CG1 4.29Å; Y138-I142 WeakPolarHBondContact O-CG1 3.41Å; Y138-I142 PolarHBondContact O-N 2.77Å; Y138-I142 VanDerWaalsContact O-N 3.12Å; A139-I142 PolarHBondContact O-N 3.33Å; I142-N144 VanDerWaalsContact C-N 3.34Å; I142-N144 PolarHBondContact O-N 3.44Å; I142-E145 WeakPolarHBondContact O-CB 3.48Å; I142-E145 PolarHBondContact O-N 2.95Å; I142-F146 HydrophobicContact CG2-CD2 3.85Å; I142-F146 HydrophobicContact CG2-CE2 3.42Å; I142-F146 VanDerWaalsContact CG2-CE2 3.42Å; I142-F146 WeakPolarHBondContact O-CD2 3.39Å; I142-F146 PolarHBondContact O-N 2.91Å; I142-T158 HydrophobicContact CG2-CG2 4.22Å
143I79.4Confident76Confident63 Ų6371.1 Ų71.132%0.32337%0.373SS..Hα-helixtrans-59.1-45.4178.3-65158.9000111A139 A140 R141 E145 F146 Y147 R160A139-I143 VanDerWaalsContact O-CG1 3.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.36Å; A139-I143 PolarHBondContact O-N 3.38Å; A140-I143 PolarHBondContact O-N 2.93Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 3.48Å; I143-E145 VanDerWaalsContact C-N 3.3Å; I143-E145 PolarHBondContact O-N 3.37Å; I143-F146 WeakPolarHBondContact O-CB 3.48Å; I143-F146 PolarHBondContact O-N 3.23Å; I143-Y147 HydrophobicContact CG2-CD2 3.7Å; I143-Y147 HydrophobicContact CG2-CE2 3.81Å; I143-Y147 WeakPolarHBondContact O-CD2 3.39Å; I143-Y147 PolarHBondContact O-N 3.23Å; I143-Y147 VanDerWaalsContact O-N 3.15Å; I143-R160 VanDerWaalsContact CG1-NH2 3.26Å
144N79.2Confident73.9Confident99 Ų9971 Ų7153%0.52937%0.37SS..Hα-helixtrans-60.5-40.4178.8-73.9-28.6000111.8A140 R141 I142 F146 Y147 D148A140-N144 PolarHBondContact O-N 3.17Å; A140-N144 PolarHBondContact O-ND2 3.02Å; R141-N144 PolarHBondContact O-N 3.15Å; I142-N144 VanDerWaalsContact C-N 3.34Å; I142-N144 PolarHBondContact O-N 3.44Å; N144-F146 VanDerWaalsContact C-N 3.25Å; N144-F146 PolarHBondContact O-N 3.18Å; N144-Y147 PolarHBondContact O-N 3.28Å; N144-D148 PolarHBondContact O-N 3.24Å; N144-D148 VanDerWaalsContact O-N 3.13Å
145E74.1Confident71.7Confident78 Ų7876.9 Ų76.936%0.36440%0.395SS..Hα-helixtrans-61.5-31.4173.5-73.3178.8-156.500112.9K30 R32 R141 I142 I143K30-E145 IonicContact NZ-OE1 2.69Å; K30-E145 PolarHBondContact NZ-OE1 3.44Å; K30-E145 IonicContact NZ-OE2 2.83Å; K30-E145 PolarHBondContact NZ-OE2 3.01Å; R32-E145 IonicContact CZ-OE2 3.92Å; R32-E145 IonicContact NH1-OE2 3.44Å; R32-E145 IonicContact NH2-OE2 3.66Å; R32-E145 PolarHBondContact NH2-OE2 3.38Å; R141-E145 PolarHBondContact O-N 2.9Å; I142-E145 WeakPolarHBondContact O-CB 3.48Å; I142-E145 PolarHBondContact O-N 2.95Å; I143-E145 VanDerWaalsContact C-N 3.3Å; I143-E145 PolarHBondContact O-N 3.37Å
146F68.2Low69.5Low54 Ų5482 Ų8224%0.23743%0.431CS..Hα-helixtrans-72.1-32.8174.7-79.4-83.3000113.9I142 I143 N144 T158I142-F146 HydrophobicContact CG2-CD2 3.85Å; I142-F146 HydrophobicContact CG2-CE2 3.42Å; I142-F146 VanDerWaalsContact CG2-CE2 3.42Å; I142-F146 WeakPolarHBondContact O-CD2 3.39Å; I142-F146 PolarHBondContact O-N 2.91Å; I143-F146 WeakPolarHBondContact O-CB 3.48Å; I143-F146 PolarHBondContact O-N 3.23Å; N144-F146 VanDerWaalsContact C-N 3.25Å; N144-F146 PolarHBondContact O-N 3.18Å; F146-T158 VanDerWaalsContact CE1-O 3.24Å; F146-T158 WeakPolarHBondContact CE1-O 3.41Å; F146-T158 HydrophobicContact CE2-CG2 3.92Å; F146-T158 HydrophobicContact CZ-CG2 3.81Å; F146-T158 WeakPolarHBondContact CZ-O 2.93Å
147Y70.8Confident67.8Low182 Ų18281 Ų8171%0.71442%0.423SS*.Hα-helixtrans-88-11.4-176.4-84.4-84.6000113.2I143 N144 P149I143-Y147 HydrophobicContact CG2-CD2 3.7Å; I143-Y147 HydrophobicContact CG2-CE2 3.81Å; I143-Y147 WeakPolarHBondContact O-CD2 3.39Å; I143-Y147 PolarHBondContact O-N 3.23Å; I143-Y147 VanDerWaalsContact O-N 3.15Å; N144-Y147 PolarHBondContact O-N 3.28Å; Y147-P149 WeakPolarHBondContact O-CD 3.42Å
148D71.4Confident66Low69 Ų6974.8 Ų74.837%0.36940%0.401SS..  trans-71.1116.4-179-155.6-35.5000111.6N144 F150 H151N144-D148 PolarHBondContact O-N 3.24Å; N144-D148 VanDerWaalsContact O-N 3.13Å; D148-F150 PolarHBondContact O-N 2.97Å; D148-F150 PolarHBondContact OD1-N 3.32Å; D148-H151 PolarHBondContact O-N 3.44Å
149P64.4Low64.8Low100 Ų10077.1 Ų77.165%0.64942%0.421SS*.G310 helixtrans-65-19.9-174.525.3-34.5000113.8Y147 H151Y147-P149 WeakPolarHBondContact O-CD 3.42Å; P149-H151 VanDerWaalsContact C-N 3.28Å; P149-H151 PolarHBondContact O-N 3.12Å
150F63.8Low63.7Low189 Ų18981.4 Ų81.483%0.82944%0.436SS*.G310 helixtrans-75.3-14.1178.4-72.6-82.6000113.8D148D148-F150 PolarHBondContact O-N 2.97Å; D148-F150 PolarHBondContact OD1-N 3.32Å
151H55.9Low62.9Low107 Ų10779.4 Ų79.450%0.49542%0.42SS..G310 helixtrans-110.824.1-179-67.285.9000113D148 P149 G153 L154D148-H151 PolarHBondContact O-N 3.44Å; P149-H151 VanDerWaalsContact C-N 3.28Å; P149-H151 PolarHBondContact O-N 3.12Å; H151-G153 PolarHBondContact O-N 3.41Å; H151-L154 PolarHBondContact O-N 3.07Å
152A47.8Very low62.6Low63 Ų6379.2 Ų79.252%0.52143%0.43SS..G310 helixtrans-53.7-23.2-172.400000115.4K155A152-K155 VanDerWaalsContact O-CB 3.25Å; A152-K155 WeakPolarHBondContact O-CB 3.29Å
153G49.8Very low62.6Low72 Ų7279.1 Ų79.174%0.74243%0.43SS*.G310 helixtrans-74.2-23.5174.600000115.6H151H151-G153 PolarHBondContact O-N 3.41Å
154L49.2Very low62.7Low59 Ų5976.1 Ų76.131%0.30941%0.414SS..G310 helixtrans-95.43.4177.5-78.590.3000113.3R32 H151 S156R32-L154 VanDerWaalsContact NH1-CD2 3.29Å; H151-L154 PolarHBondContact O-N 3.07Å; L154-S156 PolarHBondContact O-N 3.33Å
155K45.6Very low63.1Low124 Ų12478 Ų7854%0.53942%0.415SS..THydrogen-bonded Turntrans-68.3-26.8-167.6-166.5169.5-176174.70114.5A152A152-K155 VanDerWaalsContact O-CB 3.25Å; A152-K155 WeakPolarHBondContact O-CB 3.29Å
156S44.6Very low63.8Low107 Ų10776.9 Ų76.975%0.74841%0.411SS*.THydrogen-bonded Turntrans-91.92.8-17543.80000114.6L154L154-S156 PolarHBondContact O-N 3.33Å
157V53.5Low64.9Low13 Ų1374.3 Ų74.38%0.07940%0.4CS..THydrogen-bonded Turntrans-135.2-21.1-146144.90000113.5R32 S33R32-V157 WeakPolarHBondContact CA-O 3.38Å; S33-V157 VanDerWaalsContact N-CG1 3.26Å; S33-V157 PolarHBondContact N-O 3.24Å; S33-V157 WeakPolarHBondContact O-CB 3.23Å; S33-V157 WeakPolarHBondContact O-CG1 3.3Å; S33-V157 WeakPolarHBondContact O-CG2 2.97Å; S33-V157 WeakPolarHBondContact OG-CA 3.19Å; S33-V157 WeakPolarHBondContact OG-CG2 3.48Å; S33-V157 PolarHBondContact OG-O 3.29Å; S33-V157 VanDerWaalsContact OG-O 3.13Å
158T53.1Low65.9Low12 Ų1271.3 Ų71.37%0.07439%0.387CS..EExtended strand (participates in β ladder)trans-80.5139.2172.7-54.20000107.3K30 V31 R32 I142 F146K30-T158 HydrophobicContact CD-CG2 4.48Å; K30-T158 HydrophobicContact CG-CG2 3.99Å; V31-T158 CarbonylContact O-C 3.57Å; V31-T158 WeakPolarHBondContact O-CA 3.48Å; R32-T158 HydrophobicContact CG-CG2 4.28Å; I142-T158 HydrophobicContact CG2-CG2 4.22Å; F146-T158 VanDerWaalsContact CE1-O 3.24Å; F146-T158 WeakPolarHBondContact CE1-O 3.41Å; F146-T158 HydrophobicContact CE2-CG2 3.92Å; F146-T158 HydrophobicContact CZ-CG2 3.81Å; F146-T158 WeakPolarHBondContact CZ-O 2.93Å
159C58.8Low67Low76 Ų7670.3 Ų70.351%0.51439%0.389SS..EExtended strand (participates in β ladder)trans-131.6137.2174.6-81.10000107.9V31 G161V31-C159 HydrophobicContact CB-CB 4.18Å; V31-C159 PolarHBondContact N-O 3.31Å; V31-C159 PolarHBondContact O-N 3.5Å; C159-G161 PolarHBondContact O-N 3.05Å
160R62.6Low68.4Low94 Ų9465.6 Ų65.636%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-64.4118.8173.5-174.6172-65.5152.66.6107.8I143 L164 Y165I143-R160 VanDerWaalsContact CG1-NH2 3.26Å; R160-L164 HydrophobicContact CG-CB 4.07Å; R160-L164 HydrophobicContact CG-CD1 4.04Å; R160-L164 HydrophobicContact CG-CD2 4.27Å; R160-L164 HydrophobicContact CG-CG 4.37Å; R160-Y165 HydrophobicContact CG-CE2 4.32Å
161G69.3Low69.9Low3 Ų356.6 Ų56.63%0.03132%0.319CS..  trans-70.9151.8-175.800000112.4T28 W29 C159 G163 L164T28-G161 CarbonylContact O-C 3.59Å; T28-G161 VanDerWaalsContact O-C 3.24Å; T28-G161 WeakPolarHBondContact O-CA 2.83Å; W29-G161 WeakPolarHBondContact O-CA 3.39Å; W29-G161 PolarHBondContact O-N 3.47Å; C159-G161 PolarHBondContact O-N 3.05Å; G161-G163 PolarHBondContact O-N 3.48Å; G161-G163 VanDerWaalsContact O-N 3.1Å; G161-L164 PolarHBondContact O-N 3.09Å; G161-L164 VanDerWaalsContact O-N 3.09Å
162T75.8Confident71.8Confident96 Ų9653 Ų5359%0.58931%0.311SS*.Hα-helixtrans-53.5-30.1177.6-46.90000112.2T28 L164 Y165 L166T28-T162 PolarHBondContact O-N 3.16Å; T162-L164 VanDerWaalsContact C-N 3.26Å; T162-L164 PolarHBondContact O-N 3.44Å; T162-Y165 PolarHBondContact O-N 3.4Å; T162-Y165 VanDerWaalsContact O-N 3.11Å; T162-L166 HydrophobicContact CG2-CD1 3.93Å; T162-L166 WeakPolarHBondContact O-CD1 3.39Å; T162-L166 PolarHBondContact O-N 2.95Å
163G76.6Confident74Confident1 Ų152.2 Ų52.21%0.0130%0.297CS..Hα-helixtrans-59.4-29.9178.200000114.6S23 T28 G161 G167S23-G163 PolarHBondContact OG-O 3.13Å; T28-G163 PolarHBondContact O-N 2.88Å; G161-G163 PolarHBondContact O-N 3.48Å; G161-G163 VanDerWaalsContact O-N 3.1Å; G163-G167 PolarHBondContact O-N 3.43Å
164L81.9Confident76.2Confident0 Ų048.8 Ų48.80%026%0.262CS..Hα-helixtrans-68.3-45.9173.9-86.8101.5000111W29 V135 Y138 A139 R160 G161 T162 L166 G167 W168W29-L164 HydrophobicContact CB-CD1 4.32Å; W29-L164 WeakPolarHBondContact O-CD1 3.28Å; V135-L164 HydrophobicContact CG1-CB 4.06Å; V135-L164 HydrophobicContact CG1-CD2 3.73Å; V135-L164 HydrophobicContact CG1-CG 3.86Å; Y138-L164 HydrophobicContact CD1-CD1 4.02Å; Y138-L164 HydrophobicContact CD1-CD2 4.24Å; Y138-L164 HydrophobicContact CD1-CG 4.45Å; Y138-L164 HydrophobicContact CE1-CD1 4.19Å; A139-L164 HydrophobicContact CB-CD2 3.59Å; R160-L164 HydrophobicContact CG-CB 4.07Å; R160-L164 HydrophobicContact CG-CD1 4.04Å; R160-L164 HydrophobicContact CG-CD2 4.27Å; R160-L164 HydrophobicContact CG-CG 4.37Å; G161-L164 PolarHBondContact O-N 3.09Å; G161-L164 VanDerWaalsContact O-N 3.09Å; T162-L164 VanDerWaalsContact C-N 3.26Å; T162-L164 PolarHBondContact O-N 3.44Å; L164-L166 PolarHBondContact O-N 3.38Å; L164-G167 WeakPolarHBondContact O-CA 3.42Å; L164-G167 PolarHBondContact O-N 2.96Å; L164-W168 VanDerWaalsContact O-CD1 3.24Å; L164-W168 PolarHBondContact O-N 2.8Å
165Y87.2Confident78.4Confident139 Ų13948.7 Ų48.755%0.54526%0.261SS..Hα-helixtrans-59-37.6-179.7-68.7-80.1000111.9R160 T162 G167 W168 A169R160-Y165 HydrophobicContact CG-CE2 4.32Å; T162-Y165 PolarHBondContact O-N 3.4Å; T162-Y165 VanDerWaalsContact O-N 3.11Å; Y165-G167 VanDerWaalsContact C-N 3.32Å; Y165-G167 PolarHBondContact O-N 3.11Å; Y165-W168 PolarHBondContact O-N 3.44Å; Y165-A169 WeakPolarHBondContact O-CB 3.43Å; Y165-A169 PolarHBondContact O-N 3.09Å
166L89.6Confident80.7Confident55 Ų5547.8 Ų47.829%0.28826%0.262SS..Hα-helixtrans-61.4-38.6172-82.487.9000112.6L19 T162 L164 A169 S170L19-L166 HydrophobicContact CD2-CD2 4.16Å; L19-L166 HydrophobicContact CD2-CG 4.42Å; T162-L166 HydrophobicContact CG2-CD1 3.93Å; T162-L166 WeakPolarHBondContact O-CD1 3.39Å; T162-L166 PolarHBondContact O-N 2.95Å; L164-L166 PolarHBondContact O-N 3.38Å; L166-A169 PolarHBondContact O-N 2.8Å; L166-S170 WeakPolarHBondContact O-CB 3.38Å; L166-S170 PolarHBondContact O-N 2.7Å; L166-S170 PolarHBondContact O-OG 3.21Å
167G90.5Very high83.1Confident0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-69-37.817700000113.7G163 L164 Y165 S170 S171G163-G167 PolarHBondContact O-N 3.43Å; L164-G167 WeakPolarHBondContact O-CA 3.42Å; L164-G167 PolarHBondContact O-N 2.96Å; Y165-G167 VanDerWaalsContact C-N 3.32Å; Y165-G167 PolarHBondContact O-N 3.11Å; G167-S170 PolarHBondContact O-OG 2.96Å; G167-S171 WeakPolarHBondContact O-CB 3.25Å; G167-S171 PolarHBondContact O-N 3.48Å
168W93.6Very high84.9Confident119 Ų11942 Ų4245%0.45122%0.222SC..Hα-helixtrans-65.7-44.6172.3-76.576000111.2L132 V135 S136 L164 Y165 S171 G172L132-W168 HydrophobicContact CD1-CD2 4.28Å; L132-W168 HydrophobicContact CD1-CE3 3.9Å; L132-W168 HydrophobicContact CD1-CZ3 4.1Å; V135-W168 HydrophobicContact CG1-CG 4.46Å; S136-W168 VanDerWaalsContact OG-CZ2 3.28Å; S136-W168 WeakPolarHBondContact OG-CZ2 3.5Å; L164-W168 VanDerWaalsContact O-CD1 3.24Å; L164-W168 PolarHBondContact O-N 2.8Å; Y165-W168 PolarHBondContact O-N 3.44Å; W168-S171 PolarHBondContact O-N 3.41Å; W168-G172 PolarHBondContact O-N 2.69Å
169A94.3Very high86.8Confident48 Ų4843.4 Ų43.440%0.39723%0.232SC..Hα-helixtrans-61.4-45.6175.800000111.5Y165 L166 S171 G172 L173Y165-A169 WeakPolarHBondContact O-CB 3.43Å; Y165-A169 PolarHBondContact O-N 3.09Å; L166-A169 PolarHBondContact O-N 2.8Å; A169-S171 PolarHBondContact O-N 2.85Å; A169-G172 PolarHBondContact O-N 2.98Å; A169-L173 WeakPolarHBondContact O-CB 3.15Å; A169-L173 WeakPolarHBondContact O-CD1 3.44Å; A169-L173 WeakPolarHBondContact O-CG 3.19Å; A169-L173 PolarHBondContact O-N 3.33Å
170S93.6Very high88.4Confident0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-61.6-43.9178.875.50000111.6S16 Q20 L166 G167 L173 A174S16-S170 WeakPolarHBondContact CB-O 3.44Å; Q20-S170 PolarHBondContact OE1-OG 2.75Å; L166-S170 WeakPolarHBondContact O-CB 3.38Å; L166-S170 PolarHBondContact O-N 2.7Å; L166-S170 PolarHBondContact O-OG 3.21Å; G167-S170 PolarHBondContact O-OG 2.96Å; S170-L173 PolarHBondContact O-N 2.83Å; S170-A174 VanDerWaalsContact O-CB 3.29Å; S170-A174 WeakPolarHBondContact O-CB 3.21Å; S170-A174 PolarHBondContact O-N 3.48Å
171S94.6Very high89.6Confident1 Ų137.6 Ų37.61%0.00720%0.203CC..Hα-helixtrans-61.5-45.4176.5177.20000112.2G128 L132 G167 W168 A169 L173 A174 I175G128-S171 WeakPolarHBondContact O-CB 3.37Å; G128-S171 PolarHBondContact O-OG 3.37Å; L132-S171 WeakPolarHBondContact CB-OG 3.43Å; G167-S171 WeakPolarHBondContact O-CB 3.25Å; G167-S171 PolarHBondContact O-N 3.48Å; W168-S171 PolarHBondContact O-N 3.41Å; A169-S171 PolarHBondContact O-N 2.85Å; S171-L173 PolarHBondContact O-N 3.44Å; S171-A174 PolarHBondContact O-N 3.2Å; S171-I175 WeakPolarHBondContact O-CG1 3.42Å; S171-I175 PolarHBondContact O-N 3.33Å
172G95.3Very high90.5Very high32 Ų3238.5 Ų38.533%0.3321%0.209SC..Hα-helixtrans-60-46.7176.500000112.3W168 A169 A174 I175 L176W168-G172 PolarHBondContact O-N 2.69Å; A169-G172 PolarHBondContact O-N 2.98Å; G172-A174 VanDerWaalsContact C-N 3.32Å; G172-A174 PolarHBondContact O-N 3.18Å; G172-I175 PolarHBondContact O-N 3Å; G172-L176 WeakPolarHBondContact O-CB 3.49Å; G172-L176 VanDerWaalsContact O-CG 3.24Å; G172-L176 WeakPolarHBondContact O-CG 3.38Å; G172-L176 PolarHBondContact O-N 3Å
173L94.6Very high90.9Very high45 Ų4537.2 Ų37.224%0.23620%0.203CC..Hα-helixtrans-61.9-38.6175.5-77.4152.8000112.1L12 L19 A169 S170 S171 G177L12-L173 HydrophobicContact CD2-CD2 3.73Å; L19-L173 HydrophobicContact CD1-CD1 3.46Å; L19-L173 VanDerWaalsContact CD1-CD1 3.46Å; A169-L173 WeakPolarHBondContact O-CB 3.15Å; A169-L173 WeakPolarHBondContact O-CD1 3.44Å; A169-L173 WeakPolarHBondContact O-CG 3.19Å; A169-L173 PolarHBondContact O-N 3.33Å; S170-L173 PolarHBondContact O-N 2.83Å; S171-L173 PolarHBondContact O-N 3.44Å; L173-G177 PolarHBondContact O-N 3.49Å
174A95.3Very high91.2Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-66.6-47.6178.200000112.1F124 S170 S171 G172 L176 G177 G178F124-A174 HydrophobicContact CD1-CB 3.77Å; F124-A174 VanDerWaalsContact CD1-O 3.23Å; F124-A174 WeakPolarHBondContact CD1-O 3.29Å; F124-A174 HydrophobicContact CE1-CB 3.53Å; S170-A174 VanDerWaalsContact O-CB 3.29Å; S170-A174 WeakPolarHBondContact O-CB 3.21Å; S170-A174 PolarHBondContact O-N 3.48Å; S171-A174 PolarHBondContact O-N 3.2Å; G172-A174 VanDerWaalsContact C-N 3.32Å; G172-A174 PolarHBondContact O-N 3.18Å; A174-L176 PolarHBondContact O-N 3.42Å; A174-G177 PolarHBondContact O-N 3.25Å; A174-G178 PolarHBondContact O-N 3.45Å
175I95.8Very high90.5Very high57 Ų5738.2 Ų38.229%0.29221%0.209SC..Hα-helixtrans-63.8-43.6178.3-65.3166.4000110.2S171 G172 S179S171-I175 WeakPolarHBondContact O-CG1 3.42Å; S171-I175 PolarHBondContact O-N 3.33Å; G172-I175 PolarHBondContact O-N 3Å; I175-S179 VanDerWaalsContact O-CB 3.28Å; I175-S179 WeakPolarHBondContact O-CB 3.48Å; I175-S179 PolarHBondContact O-N 3.13Å; I175-S179 PolarHBondContact O-OG 3.38Å
176L95.3Very high89.4Confident105 Ų10541.1 Ų41.155%0.5522%0.219SC..Hα-helixtrans-62.4-49.4175.7-72.5171.7000111.3G172 A174 G178 S179 L180G172-L176 WeakPolarHBondContact O-CB 3.49Å; G172-L176 VanDerWaalsContact O-CG 3.24Å; G172-L176 WeakPolarHBondContact O-CG 3.38Å; G172-L176 PolarHBondContact O-N 3Å; A174-L176 PolarHBondContact O-N 3.42Å; L176-G178 PolarHBondContact O-N 3.08Å; L176-S179 PolarHBondContact O-N 2.98Å; L176-S179 PolarHBondContact O-OG 2.9Å; L176-L180 VanDerWaalsContact O-CG 3.3Å; L176-L180 WeakPolarHBondContact O-CG 3.08Å; L176-L180 PolarHBondContact O-N 2.91Å
177G93.4Very high87.8Confident0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-57.7-47.1177.600000112.7L173 A174 L180 L181L173-G177 PolarHBondContact O-N 3.49Å; A174-G177 PolarHBondContact O-N 3.25Å; G177-L180 PolarHBondContact O-N 2.96Å; G177-L181 WeakPolarHBondContact O-CG 3.08Å; G177-L181 PolarHBondContact O-N 2.99Å; G177-L181 VanDerWaalsContact O-N 3.1Å
178G93Very high86Confident0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-63.3-41.7175.700000113.2A174 L176 L180 L181 C182A174-G178 PolarHBondContact O-N 3.45Å; L176-G178 PolarHBondContact O-N 3.08Å; G178-L180 PolarHBondContact O-N 3.14Å; G178-L181 PolarHBondContact O-N 2.8Å; G178-C182 PolarHBondContact O-N 3.34Å; G178-C182 PolarHBondContact O-SG 3.46Å
179S92.4Very high83.9Confident40 Ų4046.2 Ų46.228%0.2826%0.255SS..Hα-helixtrans-62.5-41.4176.874.90000112.3I175 L176 L181 C182 C183I175-S179 VanDerWaalsContact O-CB 3.28Å; I175-S179 WeakPolarHBondContact O-CB 3.48Å; I175-S179 PolarHBondContact O-N 3.13Å; I175-S179 PolarHBondContact O-OG 3.38Å; L176-S179 PolarHBondContact O-N 2.98Å; L176-S179 PolarHBondContact O-OG 2.9Å; S179-L181 PolarHBondContact O-N 2.05Å; S179-C182 PolarHBondContact O-N 3.34Å; S179-C183 WeakPolarHBondContact O-CB 3.5Å; S179-C183 PolarHBondContact O-N 3.18Å; S179-C183 PolarHBondContact O-SG 3.11Å
180L91.3Very high81.6Confident44 Ų4453.8 Ų53.823%0.2328%0.275CS..Hα-helixtrans-65.4-38.6177.4-68.9170.5000111.7L5 L8 L12 L176 G177 G178 S184L5-L180 HydrophobicContact CD2-CD2 4.16Å; L8-L180 HydrophobicContact CD2-CD1 4.4Å; L8-L180 HydrophobicContact CG-CD1 4.45Å; L12-L180 HydrophobicContact CD1-CD1 3.61Å; L176-L180 VanDerWaalsContact O-CG 3.3Å; L176-L180 WeakPolarHBondContact O-CG 3.08Å; L176-L180 PolarHBondContact O-N 2.91Å; G177-L180 PolarHBondContact O-N 2.96Å; G178-L180 PolarHBondContact O-N 3.14Å; L180-S184 WeakPolarHBondContact O-CB 3.45Å; L180-S184 PolarHBondContact O-N 2.79Å; L180-S184 PolarHBondContact O-OG 2.77Å
181L88.6Confident79.1Confident5 Ų558.6 Ų58.63%0.02631%0.305CS..Hα-helixtrans-63.4-45.8173.4-70.7169.2000111.3Q6 G177 G178 S179 S184 C185Q6-L181 HydrophobicContact CG-CD2 3.86Å; Q6-L181 WeakPolarHBondContact O-CD2 3.1Å; G177-L181 WeakPolarHBondContact O-CG 3.08Å; G177-L181 PolarHBondContact O-N 2.99Å; G177-L181 VanDerWaalsContact O-N 3.1Å; G178-L181 PolarHBondContact O-N 2.8Å; S179-L181 PolarHBondContact O-N 2.05Å; L181-S184 PolarHBondContact O-N 2.97Å; L181-C185 PolarHBondContact O-N 2.83Å; L181-C185 PolarHBondContact O-SG 2.93Å; L181-C185 VanDerWaalsContact O-SG 3.33Å
182C87.7Confident76.6Confident22 Ų2263.3 Ų63.315%0.14934%0.336CS..Hα-helixtrans-63.4-43.8177-690000112.7L118 G178 S179 S184 C185 R186L118-C182 HydrophobicContact CD1-CB 4.09Å; G178-C182 PolarHBondContact O-N 3.34Å; G178-C182 PolarHBondContact O-SG 3.46Å; S179-C182 PolarHBondContact O-N 3.34Å; C182-S184 VanDerWaalsContact C-N 3.34Å; C182-S184 PolarHBondContact O-N 2.77Å; C182-C185 PolarHBondContact O-N 2.81Å; C182-R186 PolarHBondContact O-N 3.43Å
183C85.6Confident74.3Confident69 Ų6966.8 Ų66.847%0.46635%0.352SS..Hα-helixtrans-68.1-31.7179.4-71.40000112.9S179 C185 R187S179-C183 WeakPolarHBondContact O-CB 3.5Å; S179-C183 PolarHBondContact O-N 3.18Å; S179-C183 PolarHBondContact O-SG 3.11Å; C183-C185 VanDerWaalsContact C-N 3.27Å; C183-C185 PolarHBondContact O-N 2.95Å; C183-R187 PolarHBondContact O-N 3.1Å
184S81Confident72Confident12 Ų1270.3 Ų70.38%0.08438%0.378CS..Hα-helixtrans-65.4-32.3177.4-62.70000112.3L5 L180 L181 C182L5-S184 WeakPolarHBondContact CB-OG 3.46Å; L180-S184 WeakPolarHBondContact O-CB 3.45Å; L180-S184 PolarHBondContact O-N 2.79Å; L180-S184 PolarHBondContact O-OG 2.77Å; L181-S184 PolarHBondContact O-N 2.97Å; C182-S184 VanDerWaalsContact C-N 3.34Å; C182-S184 PolarHBondContact O-N 2.77Å
185C67.8Low69.4Low10 Ų1080.5 Ų80.57%0.06842%0.416CS..Hα-helixtrans-75.2-47.6177.1-57.60000111.2E114 L181 C182 C183 R187 S188 A189E114-C185 HydrophobicContact CG-CB 3.86Å; L181-C185 PolarHBondContact O-N 2.83Å; L181-C185 PolarHBondContact O-SG 2.93Å; L181-C185 VanDerWaalsContact O-SG 3.33Å; C182-C185 PolarHBondContact O-N 2.81Å; C183-C185 VanDerWaalsContact C-N 3.27Å; C183-C185 PolarHBondContact O-N 2.95Å; C185-R187 PolarHBondContact O-N 3.07Å; C185-R187 VanDerWaalsContact O-N 3.1Å; C185-S188 WeakPolarHBondContact O-CA 3.45Å; C185-S188 WeakPolarHBondContact O-CB 3.49Å; C185-S188 PolarHBondContact O-N 3.46Å; C185-A189 PolarHBondContact O-N 2.94Å
186R63.4Low67Low199 Ų19986.6 Ų86.675%0.75144%0.444SS*.Hα-helixtrans-58.8-29.3-179.5-76.3-169.4162.8-161-4.2115.1C182 S188 A189 Y190C182-R186 PolarHBondContact O-N 3.43Å; R186-S188 VanDerWaalsContact C-N 3.29Å; R186-S188 PolarHBondContact O-N 3.42Å; R186-A189 PolarHBondContact O-N 3.09Å; R186-Y190 PolarHBondContact O-N 2.86Å
187R56.6Low64.6Low173 Ų17389 Ų8965%0.65345%0.45SS*.Hα-helixtrans-70.2-23.8173.8-76.9-175-177.7147.4-0.1113.5C183 C185C183-R187 PolarHBondContact O-N 3.1Å; C185-R187 PolarHBondContact O-N 3.07Å; C185-R187 VanDerWaalsContact O-N 3.1Å
188S52.2Low62.1Low37 Ų3793.8 Ų93.826%0.25948%0.483SS..Hα-helixtrans-69.6-42.7172.7-1640000110.1K101 E114 C185 R186 Y190 T191K101-S188 PolarHBondContact NZ-OG 2.64Å; E114-S188 VanDerWaalsContact OE2-CB 3.29Å; E114-S188 WeakPolarHBondContact OE2-CB 3.41Å; E114-S188 PolarHBondContact OE2-OG 2.98Å; C185-S188 WeakPolarHBondContact O-CA 3.45Å; C185-S188 WeakPolarHBondContact O-CB 3.49Å; C185-S188 PolarHBondContact O-N 3.46Å; R186-S188 VanDerWaalsContact C-N 3.29Å; R186-S188 PolarHBondContact O-N 3.42Å; S188-Y190 PolarHBondContact O-N 3.07Å; S188-T191 PolarHBondContact O-N 3.45Å; S188-T191 PolarHBondContact O-OG1 3.05Å
189A50.4Low59.6Low71 Ų71104 Ų10459%0.58752%0.523SS*.Hα-helixtrans-72.2-17.4177.800000115.5C185 R186 T191C185-A189 PolarHBondContact O-N 2.94Å; R186-A189 PolarHBondContact O-N 3.09Å; A189-T191 VanDerWaalsContact C-N 3.27Å; A189-T191 PolarHBondContact O-N 3.19Å
190Y45.1Very low57.2Low207 Ų207110.1 Ų110.181%0.81255%0.547SS*.THydrogen-bonded Turntrans-80.9-3.1176.1-169-99.9000113.5R186 S188 P192R186-Y190 PolarHBondContact O-N 2.86Å; S188-Y190 PolarHBondContact O-N 3.07Å; Y190-P192 WeakPolarHBondContact O-CD 3.49Å; Y190-P192 VanDerWaalsContact O-N 3.16Å
191T41.1Very low54.9Low101 Ų101113.3 Ų113.362%0.6257%0.573SS**SBendtrans-67.4112.6161-22.90000105.9S188 A189S188-T191 PolarHBondContact O-N 3.45Å; S188-T191 PolarHBondContact O-OG1 3.05Å; A189-T191 VanDerWaalsContact C-N 3.27Å; A189-T191 PolarHBondContact O-N 3.19Å
192P43Very low52.9Low101 Ų101119.8 Ų119.866%0.65661%0.608SS**  trans-52.9135.2177.522.1-31.2000107Y190Y190-P192 WeakPolarHBondContact O-CD 3.49Å; Y190-P192 VanDerWaalsContact O-N 3.16Å
193P47Very low50.5Low104 Ų104124.5 Ų124.568%0.67564%0.641SS**  trans-50.7132.9174.622.2-31.8000106.6R195P193-R195 VanDerWaalsContact C-N 3.33Å; P193-R195 PolarHBondContact O-N 2.89Å
194P45.9Very low48.4Very low120 Ų120126.4 Ų126.478%0.77966%0.655SS**  trans-54.5111.3169.322.9-29.7000104.6Q196P194-Q196 VanDerWaalsContact C-N 3.31Å; P194-Q196 PolarHBondContact O-N 3.39Å
195R41.8Very low46.5Very low214 Ų214129.7 Ų129.781%0.80869%0.691SS**  trans-53.7105.3176.2-74.7-178.2179171-1.3104.7P193 F197P193-R195 VanDerWaalsContact C-N 3.33Å; P193-R195 PolarHBondContact O-N 2.89Å; R195-F197 HydrophobicContact CB-CD2 4.3Å; R195-F197 PolarHBondContact O-N 2.94Å
196Q43.7Very low44.8Very low185 Ų185133.3 Ų133.386%0.86473%0.73SS**  trans-65.586.1161.7-80.6-177.9-26.700104.7P194 S198P194-Q196 VanDerWaalsContact C-N 3.31Å; P194-Q196 PolarHBondContact O-N 3.39Å; Q196-S198 PolarHBondContact O-N 3.44Å
197F46.5Very low43.9Very low156 Ų156132.9 Ų132.968%0.68474%0.736SS**  trans-6889.8160.9-112.8-83.5000105.2R195 Y199R195-F197 HydrophobicContact CB-CD2 4.3Å; R195-F197 PolarHBondContact O-N 2.94Å; F197-Y199 VanDerWaalsContact C-N 3.3Å; F197-Y199 PolarHBondContact O-N 2.9Å
198S39.6Very low42.9Very low100 Ų100129.2 Ų129.270%0.69974%0.737SS**  trans-62.694.8164.215.80000107.3Q196 H200Q196-S198 PolarHBondContact O-N 3.44Å; S198-H200 VanDerWaalsContact C-N 3.29Å; S198-H200 PolarHBondContact O-N 3.44Å
199Y40.2Very low42.4Very low213 Ų213134 Ų13484%0.83576%0.758SS**  trans-67.193.3164.7-95.9-89000107.9F197 S201F197-Y199 VanDerWaalsContact C-N 3.3Å; F197-Y199 PolarHBondContact O-N 2.9Å; Y199-S201 PolarHBondContact O-N 3.43Å
200H42.5Very low42Very low170 Ų170141.5 Ų141.579%0.78777%0.773SS**  trans-83.487.9165.8-131.1-61.1000107.3S198 N202S198-H200 VanDerWaalsContact C-N 3.29Å; S198-H200 PolarHBondContact O-N 3.44Å; H200-N202 PolarHBondContact O-N 3.32Å; H200-N202 VanDerWaalsContact O-N 3.08Å
201S44Very low41.8Very low111 Ų111141.2 Ų141.278%0.77678%0.776SS**  trans-76.193.7168.866.10000108.3Y199Y199-S201 PolarHBondContact O-N 3.43Å
202N45.3Very low41.5Very low141 Ų141141.3 Ų141.375%0.75479%0.787SS**  trans-108103.9168.3-144.219.9000107.8H200H200-N202 PolarHBondContact O-N 3.32Å; H200-N202 VanDerWaalsContact O-N 3.08Å
203S38.3Very low41.1Very low121 Ų121140.9 Ų140.985%0.84679%0.792SS**  trans-144.884.7172.6178.40000108.9
204S41.3Very low41.5Very low109 Ų109141.8 Ų141.876%0.76280%0.798SS**  trans-96.6109.316152.80000108.7
205G40.2Very low40.8Very low81 Ų81140.5 Ų140.584%0.83580%0.798SS**  trans87.1120.2152.300000118.4
206G33.3Very low40.6Very low86 Ų86135.8 Ų135.889%0.88780%0.797SS**  trans150.7106.2159.300000114.5
207Q44.6Very low40Very low190 Ų190136 Ų13689%0.88880%0.798SS**  trans-73.3147.7-178.6-62176.2-47.900114.6
208S34.7Very low39.4Very low96 Ų96133.6 Ų133.667%0.67180%0.801SS**  -172.1113.3126.564.80000108.6
209I42.2Very low38.9Very low136 Ų136134.9 Ų134.970%0.69781%0.805SS**  49.794.891.2-54.3171.9000112.1
210Y41.1Very low38.7Very low229 Ų229130 Ų13090%0.89880%0.802SS**  -150.9151125.9-69.8-68.3000109.8
211K41.7Very low38.4Very low202 Ų202127 Ų12788%0.87880%0.795SS**  trans-125.7139.3-149.5173-173.1-173.91750108.3
212A34.8Very low38Very low102 Ų102131.1 Ų131.184%0.84380%0.8SS**  trans160.8141.7133.500000112.4
213A35.1Very low37.6Very low92 Ų92128.6 Ų128.676%0.7680%0.798SS**  trans-97.6-159.6-179.300000110.7
214P54.2Low37.6Very low123 Ų123133.6 Ų133.680%0.79980%0.8SS**  -125.7-174-55.426.2-5.1000112.1
215A32.8Very low37.6Very low94 Ų94138.8 Ų138.878%0.77783%0.827SS**  trans119.6122.2142.300000119.5
216S35.9Very low37.5Very low115 Ų115141.7 Ų141.780%0.80483%0.826SS**  trans145.693.7139.454.70000108.3
217E32Very low37.7Very low188 Ų188144.6 Ų144.688%0.87982%0.823SS**  75.9139.271.6-154.9173.5178.600114.1
218S34.5Very low37.3Very low107 Ų107142.1 Ų142.175%0.74882%0.819SS**  trans90.184.3-175.275.30000115.7
219T28.8Very low37.5Very low126 Ų126144.8 Ų144.877%0.77383%0.828SS**  76110.169.2-52.50000113.7
220S36.1Very low37.2Very low112 Ų112145.3 Ų145.378%0.78384%0.836SS**  16394.2123.3-159.20000108.6
221T35.3Very low37Very low105 Ų105139.7 Ų139.764%0.64483%0.832SS**  82.4118.872-60.50000114.4
222K36.6Very low36.6Very low199 Ų199135.3 Ų135.387%0.86583%0.829SS**  trans80.4143158.2-76.3173.9-176.2-170.60118.2
223A36.9Very low36.8Very low87 Ų87137.8 Ų137.872%0.71983%0.828SS**  cis-167.1155-6.200000108.2
224Y37.5Very low36.9Very low226 Ų226141.7 Ų141.789%0.88683%0.833SS**  trans-88.2140.7168-44.5-92.6000109.6
225V42.2Very low35.3Very low218 Ų218143.4 Ų143.4100%1.32184%0.836SS**  -143.60123.7-175.70000106.9

Retrieved 225 of 225 residues in 384.7 ms (Link to these results)

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