A0A077ZGD4_TRITR Loading...

Lysophospholipid acyltransferase 5

AlphaFold DB , UniProt , Accession A0A077ZGD4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 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
1M36.9Very low59.3Low141 Ų14194.3 Ų94.370%0.69552%0.516SS*.  0-37.60-77.6170.6166.400114.3Y123M1-Y123 HydrophobicContact CE-CD1 3.71Å; M1-Y123 HydrophobicContact CE-CG 4.13Å; M1-Y123 WeakPolarHBondContact CE-O 3.48Å
2C43Very low60.8Low143 Ų14396.1 Ų96.197%0.96652%0.52SS*.  trans-99.78.9-179.9-84.40000117.4
3N52.4Low62.3Low137 Ų13794.5 Ų94.573%0.73351%0.51SS*.SBendtrans-127.227175-155.40000113.2
4Y56.7Low63.2Low78 Ų7888.1 Ų88.131%0.30648%0.476SS..  trans-10910.3-167.3-81.6-98.4000115S7 T8 W53 P56Y4-S7 PolarHBondContact O-N 2.84Å; Y4-T8 WeakPolarHBondContact CB-OG1 3.39Å; Y4-T8 PolarHBondContact O-N 3.22Å; Y4-T8 VanDerWaalsContact O-N 3.1Å; Y4-T8 PolarHBondContact O-OG1 2.88Å; Y4-W53 HydrophobicContact CE1-CB 4.36Å; Y4-P56 HydrophobicContact CE1-CG 3.9Å; Y4-P56 WeakPolarHBondContact OH-CG 3.32Å
5G59.8Low64.3Low68 Ų6882.6 Ų82.670%0.70145%0.447SS*.G310 helixtrans38.9-139.4171.600000116S7 T8G5-S7 VanDerWaalsContact C-N 3.25Å; G5-S7 PolarHBondContact O-N 3.36Å; G5-T8 PolarHBondContact O-OG1 3.49Å
6W61.2Low65.5Low221 Ų22184.1 Ų84.184%0.83745%0.448SS*.G310 helixtrans-70.8-18.7176.7-144.7-106000113T8 I9W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 2.78Å; W6-I9 HydrophobicContact CD2-CD1 3.99Å; W6-I9 HydrophobicContact CG-CD1 4.2Å; W6-I9 HydrophobicContact CZ2-CD1 4.31Å; W6-I9 WeakPolarHBondContact O-CB 3.46Å; W6-I9 PolarHBondContact O-N 2.86Å
7S62.9Low66.2Low51 Ų5181.2 Ų81.236%0.35743%0.434SS..G310 helixtrans-72.2-19.8-178.3-51.70000113.5Y4 G5 I9 H10Y4-S7 PolarHBondContact O-N 2.84Å; G5-S7 VanDerWaalsContact C-N 3.25Å; G5-S7 PolarHBondContact O-N 3.36Å; S7-I9 PolarHBondContact O-N 3.49Å; S7-H10 WeakPolarHBondContact O-CB 3.4Å; S7-H10 PolarHBondContact O-N 3.03Å
8T65.9Low66.7Low49 Ų4976.8 Ų76.830%0.30141%0.411SS..Hα-helixtrans-54.6-34.1169.4-50.80000111.6Y4 G5 W6 H10 S11 M12Y4-T8 WeakPolarHBondContact CB-OG1 3.39Å; Y4-T8 PolarHBondContact O-N 3.22Å; Y4-T8 VanDerWaalsContact O-N 3.1Å; Y4-T8 PolarHBondContact O-OG1 2.88Å; G5-T8 PolarHBondContact O-OG1 3.49Å; W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 2.78Å; T8-H10 VanDerWaalsContact C-N 3.29Å; T8-H10 PolarHBondContact O-N 3.12Å; T8-S11 PolarHBondContact O-N 3.46Å; T8-M12 WeakPolarHBondContact O-CG 3.42Å; T8-M12 PolarHBondContact O-N 3.4Å
9I71.5Confident67.5Low72 Ų7275.1 Ų75.137%0.36940%0.398SS..Hα-helixtrans-63.8-36.8179.1-60.3172.9000110.7W6 S7 S11 M12 I13W6-I9 HydrophobicContact CD2-CD1 3.99Å; W6-I9 HydrophobicContact CG-CD1 4.2Å; W6-I9 HydrophobicContact CZ2-CD1 4.31Å; W6-I9 WeakPolarHBondContact O-CB 3.46Å; W6-I9 PolarHBondContact O-N 2.86Å; S7-I9 PolarHBondContact O-N 3.49Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 3.31Å; I9-M12 PolarHBondContact O-N 2.9Å; I9-M12 VanDerWaalsContact O-N 3.15Å; I9-I13 HydrophobicContact CG2-CD1 3.77Å; I9-I13 HydrophobicContact CG2-CG1 4.21Å; I9-I13 VanDerWaalsContact O-CG1 3.28Å; I9-I13 WeakPolarHBondContact O-CG1 3.38Å; I9-I13 PolarHBondContact O-N 2.72Å
10H69.9Low68Low55 Ų5575 Ų7526%0.25540%0.397SS..Hα-helixtrans-60.3-43.4176.6-170.880.1000111.3S7 T8 M12 I13 S14 N44S7-H10 WeakPolarHBondContact O-CB 3.4Å; S7-H10 PolarHBondContact O-N 3.03Å; T8-H10 VanDerWaalsContact C-N 3.29Å; T8-H10 PolarHBondContact O-N 3.12Å; H10-M12 PolarHBondContact O-N 2.88Å; H10-I13 PolarHBondContact O-N 3.38Å; H10-S14 PolarHBondContact O-N 3.06Å; H10-S14 PolarHBondContact O-OG 2.57Å; H10-N44 PolarHBondContact NE2-ND2 2.99Å
11S71.9Confident68.1Low22 Ų2273.4 Ų73.415%0.15439%0.389CS..Hα-helixtrans-65.6-36174.8-56.10000112.8T8 I9 S14 V15 Y123T8-S11 PolarHBondContact O-N 3.46Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 3.31Å; S11-S14 WeakPolarHBondContact CA-OG 3.43Å; S11-S14 PolarHBondContact O-OG 3.03Å; S11-V15 VanDerWaalsContact O-CG2 3.29Å; S11-V15 WeakPolarHBondContact O-CG2 3.47Å; S11-V15 PolarHBondContact O-N 3.38Å; S11-V15 VanDerWaalsContact O-N 3.16Å; S11-Y123 VanDerWaalsContact C-OH 3.28Å; S11-Y123 PolarHBondContact O-OH 3.36Å
12M77.5Confident69.8Low116 Ų11667 Ų6757%0.57136%0.358SS*.Hα-helixtrans-67.2-41.5174.5-66.6-173.479.600111.6T8 I9 H10 V15 F16 Y123T8-M12 WeakPolarHBondContact O-CG 3.42Å; T8-M12 PolarHBondContact O-N 3.4Å; I9-M12 PolarHBondContact O-N 2.9Å; I9-M12 VanDerWaalsContact O-N 3.15Å; H10-M12 PolarHBondContact O-N 2.88Å; M12-V15 PolarHBondContact O-N 2.97Å; M12-F16 WeakPolarHBondContact O-CB 3.41Å; M12-F16 PolarHBondContact O-N 3.19Å; M12-Y123 PolarHBondContact N-OH 2.91Å
13I80.5Confident71.3Confident76 Ų7666 Ų6639%0.3934%0.337SS..Hα-helixtrans-63.1-44.7176.6-68.3167.2000110.2I9 H10 V15 F16 V17I9-I13 HydrophobicContact CG2-CD1 3.77Å; I9-I13 HydrophobicContact CG2-CG1 4.21Å; I9-I13 VanDerWaalsContact O-CG1 3.28Å; I9-I13 WeakPolarHBondContact O-CG1 3.38Å; I9-I13 PolarHBondContact O-N 2.72Å; H10-I13 PolarHBondContact O-N 3.38Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 3.03Å; I13-F16 PolarHBondContact O-N 3.42Å; I13-V17 HydrophobicContact CG2-CG2 4.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.84Å
14S75Confident72.1Confident4 Ų465.6 Ų65.63%0.02834%0.339CS..Hα-helixtrans-62.8-40.4179.562.10000112.5H10 S11 V17 A18H10-S14 PolarHBondContact O-N 3.06Å; H10-S14 PolarHBondContact O-OG 2.57Å; S11-S14 WeakPolarHBondContact CA-OG 3.43Å; S11-S14 PolarHBondContact O-OG 3.03Å; S14-V17 PolarHBondContact O-N 2.96Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.06Å
15V78.8Confident72.3Confident6 Ų663 Ų634%0.03633%0.334CS..Hα-helixtrans-64.6-42.1175.3171.50000111.1S11 M12 I13 A18 Y19 L60 L64 V118 Y123S11-V15 VanDerWaalsContact O-CG2 3.29Å; S11-V15 WeakPolarHBondContact O-CG2 3.47Å; S11-V15 PolarHBondContact O-N 3.38Å; S11-V15 VanDerWaalsContact O-N 3.16Å; M12-V15 PolarHBondContact O-N 2.97Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 3.03Å; V15-A18 PolarHBondContact O-N 3.4Å; V15-Y19 PolarHBondContact O-N 3.36Å; V15-L60 HydrophobicContact CG2-CD2 4.26Å; V15-L64 HydrophobicContact CG2-CD1 4.37Å; V15-V118 HydrophobicContact CG1-CG1 4.17Å; V15-Y123 HydrophobicContact CG2-CE2 4.16Å
16F83.3Confident72.1Confident106 Ų10661.9 Ų61.947%0.46532%0.323SS..Hα-helixtrans-64.6-43.5178-175.4-105000112.3M12 I13 Y19 L20 L115M12-F16 WeakPolarHBondContact O-CB 3.41Å; M12-F16 PolarHBondContact O-N 3.19Å; I13-F16 PolarHBondContact O-N 3.42Å; F16-Y19 WeakPolarHBondContact O-CB 3.37Å; F16-Y19 PolarHBondContact O-N 2.93Å; F16-L20 HydrophobicContact CD1-CD1 4.07Å; F16-L20 HydrophobicContact CD1-CG 4.46Å; F16-L20 HydrophobicContact CE1-CD1 3.6Å; F16-L20 HydrophobicContact CE1-CG 4.13Å; F16-L20 HydrophobicContact CZ-CD1 4.16Å; F16-L20 HydrophobicContact CZ-CD2 4.42Å; F16-L20 HydrophobicContact CZ-CG 4.34Å; F16-L20 WeakPolarHBondContact O-CG 2.92Å; F16-L20 PolarHBondContact O-N 2.92Å; F16-L115 HydrophobicContact CD2-CD1 4.44Å
17V77.6Confident71.9Confident35 Ų3554.3 Ų54.321%0.21231%0.313CS..Hα-helixtrans-64.6-42.4175.7174.80000110.9I13 S14 Y19 L20 L21 Y36I13-V17 HydrophobicContact CG2-CG2 4.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.84Å; S14-V17 PolarHBondContact O-N 2.96Å; V17-Y19 VanDerWaalsContact C-N 3.31Å; V17-Y19 PolarHBondContact O-N 3.39Å; V17-L20 PolarHBondContact O-N 3.47Å; V17-L21 HydrophobicContact CG1-CD1 4.13Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 3.2Å; V17-Y36 HydrophobicContact CB-CD1 4.23Å; V17-Y36 HydrophobicContact CG1-CD1 3.9Å; V17-Y36 HydrophobicContact CG1-CG 3.93Å; V17-Y36 HydrophobicContact CG2-CD1 4.26Å; V17-Y36 HydrophobicContact CG2-CE1 4.37Å
18A75.9Confident71.7Confident2 Ų254.7 Ų54.72%0.01732%0.316CS..Hα-helixtrans-59.6-41.4174.900000112S14 V15 L21 C22 L64S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.06Å; V15-A18 PolarHBondContact O-N 3.4Å; A18-L21 PolarHBondContact O-N 3.11Å; A18-C22 PolarHBondContact O-N 3.22Å; A18-C22 PolarHBondContact O-SG 3.19Å; A18-C22 VanDerWaalsContact O-SG 3.37Å; A18-L64 HydrophobicContact CB-CB 4.47Å; A18-L64 HydrophobicContact CB-CD1 4Å; A18-L64 HydrophobicContact CB-CD2 4.02Å; A18-L64 HydrophobicContact CB-CG 4.39Å
19Y81.1Confident71.2Confident44 Ų4456.1 Ų56.117%0.17332%0.324CS..Hα-helixtrans-61.6-45.1173.3172.2-102.7000112.6V15 F16 V17 L21 C22 K23 L115 V118V15-Y19 PolarHBondContact O-N 3.36Å; F16-Y19 WeakPolarHBondContact O-CB 3.37Å; F16-Y19 PolarHBondContact O-N 2.93Å; V17-Y19 VanDerWaalsContact C-N 3.31Å; V17-Y19 PolarHBondContact O-N 3.39Å; Y19-L21 VanDerWaalsContact C-N 3.28Å; Y19-L21 PolarHBondContact O-N 3.35Å; Y19-C22 PolarHBondContact O-N 3.31Å; Y19-K23 HydrophobicContact CE1-CD 4.41Å; Y19-K23 WeakPolarHBondContact O-CB 3.35Å; Y19-K23 PolarHBondContact O-N 3.5Å; Y19-L115 HydrophobicContact CD1-CB 4.2Å; Y19-L115 HydrophobicContact CD1-CD1 3.78Å; Y19-L115 HydrophobicContact CD1-CG 4.46Å; Y19-L115 HydrophobicContact CD2-CB 3.89Å; Y19-L115 HydrophobicContact CD2-CD1 4.09Å; Y19-L115 HydrophobicContact CE1-CB 4.12Å; Y19-L115 HydrophobicContact CE1-CD1 4.48Å; Y19-L115 HydrophobicContact CE2-CB 3.81Å; Y19-L115 HydrophobicContact CG-CB 4.09Å; Y19-L115 HydrophobicContact CG-CD1 3.54Å; Y19-L115 HydrophobicContact CG-CG 4.4Å; Y19-V118 HydrophobicContact CD2-CG2 4.29Å
20L78.8Confident70.2Confident73 Ų7358.8 Ų58.838%0.38233%0.333SS..Hα-helixtrans-60.8-38.9175.8-71.1-178.1000111.7F16 V17 K23 V24F16-L20 HydrophobicContact CD1-CD1 4.07Å; F16-L20 HydrophobicContact CD1-CG 4.46Å; F16-L20 HydrophobicContact CE1-CD1 3.6Å; F16-L20 HydrophobicContact CE1-CG 4.13Å; F16-L20 HydrophobicContact CZ-CD1 4.16Å; F16-L20 HydrophobicContact CZ-CD2 4.42Å; F16-L20 HydrophobicContact CZ-CG 4.34Å; F16-L20 WeakPolarHBondContact O-CG 2.92Å; F16-L20 PolarHBondContact O-N 2.92Å; V17-L20 PolarHBondContact O-N 3.47Å; L20-K23 WeakPolarHBondContact O-CB 3.4Å; L20-K23 PolarHBondContact O-N 2.76Å; L20-V24 WeakPolarHBondContact O-CB 3.36Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 3.34Å
21L70.3Confident69.3Low42 Ų4257.4 Ų57.422%0.2233%0.33CS..Hα-helixtrans-66-46175.9-70.1171.7000111.9V17 A18 Y19 K23 V24 A25V17-L21 HydrophobicContact CG1-CD1 4.13Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 3.2Å; A18-L21 PolarHBondContact O-N 3.11Å; Y19-L21 VanDerWaalsContact C-N 3.28Å; Y19-L21 PolarHBondContact O-N 3.35Å; L21-K23 PolarHBondContact O-N 3.46Å; L21-V24 PolarHBondContact O-N 3.48Å; L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.9Å
22C71.9Confident68.4Low7 Ų757.9 Ų57.95%0.04733%0.332CS..Hα-helixtrans-55.8-35.7171.6-69.90000111.3A18 Y19 K112A18-C22 PolarHBondContact O-N 3.22Å; A18-C22 PolarHBondContact O-SG 3.19Å; A18-C22 VanDerWaalsContact O-SG 3.37Å; Y19-C22 PolarHBondContact O-N 3.31Å; C22-K112 WeakPolarHBondContact O-CE 3.49Å; C22-K112 PolarHBondContact O-NZ 2.68Å
23K73.6Confident67.2Low121 Ų12157.2 Ų57.253%0.52633%0.334SS..Hα-helixtrans-72.9-48.9178.8-161.7173.6-177.21680114Y19 L20 L21 K112Y19-K23 HydrophobicContact CE1-CD 4.41Å; Y19-K23 WeakPolarHBondContact O-CB 3.35Å; Y19-K23 PolarHBondContact O-N 3.5Å; L20-K23 WeakPolarHBondContact O-CB 3.4Å; L20-K23 PolarHBondContact O-N 2.76Å; L21-K23 PolarHBondContact O-N 3.46Å; K23-K112 HydrophobicContact CB-CD 4.48Å; K23-K112 HydrophobicContact CG-CD 4.44Å; K23-K112 PolarHBondContact O-NZ 3.49Å
24V69.9Low65.9Low129 Ų12960.4 Ų60.478%0.78235%0.346SS*.Hα-helixtrans-79.7-35.2-174.6175.40000112L20 L21L20-V24 WeakPolarHBondContact O-CB 3.36Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 3.34Å; L21-V24 PolarHBondContact O-N 3.48Å
25A61.6Low64.8Low24 Ų2460.6 Ų60.620%0.19835%0.347CS..  trans-119.121.4-160.600000115.7L21 G27 S28 S31L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.9Å; A25-G27 PolarHBondContact O-N 2.83Å; A25-S28 PolarHBondContact O-N 3.26Å; A25-S31 WeakPolarHBondContact CB-OG 3.48Å
26G55.5Low63.9Low45 Ų4565.3 Ų65.346%0.46437%0.365SS..THydrogen-bonded Turntrans-63.436.2177.400000116
27G56.1Low62.6Low61 Ų6160.7 Ų60.763%0.62935%0.345SS*.THydrogen-bonded Turntrans-163.9-2.9175.600000116.3A25A25-G27 PolarHBondContact O-N 2.83Å
28S59.8Low61.9Low60 Ų6062.2 Ų62.242%0.4235%0.354SS..  trans-116.4119.8-179.9-178.20000112.3A25 F30 S31A25-S28 PolarHBondContact O-N 3.26Å; S28-F30 PolarHBondContact O-N 3.07Å; S28-F30 PolarHBondContact OG-N 3.42Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 VanDerWaalsContact O-N 3.11Å
29V54.7Low61.3Low78 Ų7863.8 Ų63.847%0.47337%0.367SS..THydrogen-bonded Turntrans-49.6-31173.3-71.50000113.2S31 V32 Y72V29-S31 VanDerWaalsContact C-N 3.27Å; V29-S31 PolarHBondContact O-N 3.13Å; V29-V32 PolarHBondContact O-N 3.41Å; V29-Y72 HydrophobicContact CG1-CE1 4.34Å; V29-Y72 HydrophobicContact CG1-CE2 3.9Å; V29-Y72 VanDerWaalsContact CG1-CZ 3.47Å; V29-Y72 WeakPolarHBondContact CG1-OH 3.37Å
30F49.8Very low60.3Low128 Ų12862 Ų6256%0.56136%0.362SS*.Hα-helixtrans-71-25-173.8-139.1-103.6000112.1S28 V32 V33 F34S28-F30 PolarHBondContact O-N 3.07Å; S28-F30 PolarHBondContact OG-N 3.42Å; F30-V32 VanDerWaalsContact C-N 3.26Å; F30-V32 PolarHBondContact O-N 3.03Å; F30-V33 PolarHBondContact O-N 3.37Å; F30-F34 AromaticContact CD1-CD2 3.26Å; F30-F34 HydrophobicContact CD1-CD2 3.26Å; F30-F34 AromaticContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CG 4.09Å; F30-F34 HydrophobicContact CD1-CZ 4.47Å; F30-F34 HydrophobicContact CD2-CD2 4.42Å; F30-F34 HydrophobicContact CD2-CE2 4.15Å; F30-F34 HydrophobicContact CE1-CD1 4.47Å; F30-F34 AromaticContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CE1 4.29Å; F30-F34 AromaticContact CE1-CE2 2.98Å; F30-F34 HydrophobicContact CE1-CE2 2.98Å; F30-F34 AromaticContact CE1-CG 3.98Å; F30-F34 HydrophobicContact CE1-CG 3.98Å; F30-F34 AromaticContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE2-CD2 4.36Å; F30-F34 AromaticContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CZ 4.46Å; F30-F34 AromaticContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CE2 4.08Å; F30-F34 AromaticContact CZ-CD2 3.8Å; F30-F34 HydrophobicContact CZ-CD2 3.8Å; F30-F34 AromaticContact CZ-CE2 3.08Å; F30-F34 HydrophobicContact CZ-CE2 3.08Å; F30-F34 AromaticContact CZ-CZ 3.58Å; F30-F34 HydrophobicContact CZ-CZ 3.58Å; F30-F34 WeakPolarHBondContact O-CD2 3.31Å; F30-F34 PolarHBondContact O-N 2.83Å
31S51.2Low59.5Low27 Ų2764.6 Ų64.619%0.18937%0.368CS..Hα-helixtrans-71.2-21.8-179.4-170.70000113.4A25 S28 V29A25-S31 WeakPolarHBondContact CB-OG 3.48Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 VanDerWaalsContact O-N 3.11Å; V29-S31 VanDerWaalsContact C-N 3.27Å; V29-S31 PolarHBondContact O-N 3.13Å
32V52.8Low59.1Low32 Ų3268 Ų6819%0.19438%0.383CS..Hα-helixtrans-74.9-44.9178-171.90000109.9V29 F30 S35 I68 L69V29-V32 PolarHBondContact O-N 3.41Å; F30-V32 VanDerWaalsContact C-N 3.26Å; F30-V32 PolarHBondContact O-N 3.03Å; V32-S35 PolarHBondContact O-OG 2.87Å; V32-I68 HydrophobicContact CG2-CG2 3.92Å; V32-L69 HydrophobicContact CG1-CD2 3.9Å; V32-L69 HydrophobicContact CG1-CG 4.42Å; V32-L69 HydrophobicContact CG2-CD2 4.42Å
33V53Low58.6Low102 Ų10275.8 Ų75.862%0.61841%0.412SS*.Hα-helixtrans-74-34-174.8-177.50000112.5F30F30-V33 PolarHBondContact O-N 3.37Å
34F53.1Low58Low142 Ų14271.6 Ų71.662%0.62340%0.395SS*.THydrogen-bonded Turntrans-101.614.8-175.8-72-88.8000114.4F30F30-F34 AromaticContact CD1-CD2 3.26Å; F30-F34 HydrophobicContact CD1-CD2 3.26Å; F30-F34 AromaticContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CG 4.09Å; F30-F34 HydrophobicContact CD1-CZ 4.47Å; F30-F34 HydrophobicContact CD2-CD2 4.42Å; F30-F34 HydrophobicContact CD2-CE2 4.15Å; F30-F34 HydrophobicContact CE1-CD1 4.47Å; F30-F34 AromaticContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CE1 4.29Å; F30-F34 AromaticContact CE1-CE2 2.98Å; F30-F34 HydrophobicContact CE1-CE2 2.98Å; F30-F34 AromaticContact CE1-CG 3.98Å; F30-F34 HydrophobicContact CE1-CG 3.98Å; F30-F34 AromaticContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE2-CD2 4.36Å; F30-F34 AromaticContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CZ 4.46Å; F30-F34 AromaticContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CE2 4.08Å; F30-F34 AromaticContact CZ-CD2 3.8Å; F30-F34 HydrophobicContact CZ-CD2 3.8Å; F30-F34 AromaticContact CZ-CE2 3.08Å; F30-F34 HydrophobicContact CZ-CE2 3.08Å; F30-F34 AromaticContact CZ-CZ 3.58Å; F30-F34 HydrophobicContact CZ-CZ 3.58Å; F30-F34 WeakPolarHBondContact O-CD2 3.31Å; F30-F34 PolarHBondContact O-N 2.83Å
35S52.4Low57.3Low9 Ų971.9 Ų71.96%0.06339%0.39CS..  trans-63.9149.2-175.265.30000112.7V32 L37 V38V32-S35 PolarHBondContact O-OG 2.87Å; S35-L37 PolarHBondContact O-N 2.83Å; S35-V38 PolarHBondContact O-N 3.2Å
36Y59.2Low57.1Low105 Ų10575.5 Ų75.541%0.41241%0.414SS..Hα-helixtrans-48.3-15.7171.6-177.8-100000113.7V17 A39 G40V17-Y36 HydrophobicContact CB-CD1 4.23Å; V17-Y36 HydrophobicContact CG1-CD1 3.9Å; V17-Y36 HydrophobicContact CG1-CG 3.93Å; V17-Y36 HydrophobicContact CG2-CD1 4.26Å; V17-Y36 HydrophobicContact CG2-CE1 4.37Å; Y36-A39 PolarHBondContact O-N 2.78Å; Y36-G40 PolarHBondContact O-N 2.97Å
37L56.6Low57.1Low9 Ų980.2 Ų80.25%0.04742%0.424CS..Hα-helixtrans-70.5-39177.4-59.5174.2000113S35 G40 Y41 T61 L64 I65 I68S35-L37 PolarHBondContact O-N 2.83Å; L37-G40 PolarHBondContact O-N 3.39Å; L37-Y41 PolarHBondContact O-N 3.17Å; L37-T61 HydrophobicContact CB-CG2 3.93Å; L37-T61 HydrophobicContact CD1-CG2 4.45Å; L37-T61 HydrophobicContact CD2-CG2 4.15Å; L37-T61 HydrophobicContact CG-CG2 4.39Å; L37-L64 HydrophobicContact CD1-CB 4.43Å; L37-I65 HydrophobicContact CD1-CG1 3.87Å; L37-I68 HydrophobicContact CD1-CD1 4.36Å
38V63.4Low57.1Low66 Ų6683.3 Ų83.340%0.443%0.431SS..Hα-helixtrans-68.7-41.5172176.40000109.7S35 G40 Y41 H42S35-V38 PolarHBondContact O-N 3.2Å; V38-G40 PolarHBondContact O-N 2.94Å; V38-Y41 WeakPolarHBondContact O-CB 3.45Å; V38-Y41 PolarHBondContact O-N 2.72Å; V38-H42 WeakPolarHBondContact CG1-NE2 3.48Å; V38-H42 PolarHBondContact O-CD2 3.1Å; V38-H42 PolarHBondContact O-N 2.84Å
39A62.2Low56.7Low35 Ų3588.7 Ų88.729%0.28944%0.443SS..Hα-helixtrans-59.4-46.1173.500000111.3Y36 Y41 H42 Y43Y36-A39 PolarHBondContact O-N 2.78Å; A39-Y41 VanDerWaalsContact C-N 3.35Å; A39-Y41 PolarHBondContact O-N 2.86Å; A39-H42 PolarHBondContact O-N 3.35Å; A39-Y43 HydrophobicContact CB-CD2 4.38Å; A39-Y43 HydrophobicContact CB-CE2 4.17Å; A39-Y43 WeakPolarHBondContact O-CD2 3.38Å; A39-Y43 PolarHBondContact O-N 3.42Å
40G60.1Low56.6Low7 Ų788.3 Ų88.37%0.07244%0.438CS..Hα-helixtrans-61.5-38175.800000113.2Y36 L37 V38 N44Y36-G40 PolarHBondContact O-N 2.97Å; L37-G40 PolarHBondContact O-N 3.39Å; V38-G40 PolarHBondContact O-N 2.94Å; G40-N44 WeakPolarHBondContact O-CB 3.13Å; G40-N44 PolarHBondContact O-N 3.42Å; G40-N44 PolarHBondContact O-ND2 3.05Å
41Y62.6Low57.1Low127 Ų12787.1 Ų87.150%0.49844%0.437SS..Hα-helixtrans-62.2-47.1171.5177.9-96.4000111.6L37 V38 A39 Y43 N44 M45L37-Y41 PolarHBondContact O-N 3.17Å; V38-Y41 WeakPolarHBondContact O-CB 3.45Å; V38-Y41 PolarHBondContact O-N 2.72Å; A39-Y41 VanDerWaalsContact C-N 3.35Å; A39-Y41 PolarHBondContact O-N 2.86Å; Y41-Y43 PolarHBondContact O-N 3.42Å; Y41-N44 PolarHBondContact O-N 3.25Å; Y41-M45 HydrophobicContact CE1-SD 4.01Å; Y41-M45 WeakPolarHBondContact O-CB 3.34Å; Y41-M45 PolarHBondContact O-N 3.18Å
42H62.1Low57.5Low115 Ų11589.1 Ų89.153%0.53245%0.451SS..Hα-helixtrans-62.9-41.7177.6-74.1-61.6000113V38 A39V38-H42 WeakPolarHBondContact CG1-NE2 3.48Å; V38-H42 PolarHBondContact O-CD2 3.1Å; V38-H42 PolarHBondContact O-N 2.84Å; A39-H42 PolarHBondContact O-N 3.35Å
43Y61.2Low57.8Low170 Ų17090.9 Ų90.967%0.66746%0.455SS*.Hα-helixtrans-65.9-44.1176.7-73.7-62.9000111.8A39 Y41 M45 S46A39-Y43 HydrophobicContact CB-CD2 4.38Å; A39-Y43 HydrophobicContact CB-CE2 4.17Å; A39-Y43 WeakPolarHBondContact O-CD2 3.38Å; A39-Y43 PolarHBondContact O-N 3.42Å; Y41-Y43 PolarHBondContact O-N 3.42Å; Y43-M45 VanDerWaalsContact C-N 3.32Å; Y43-M45 PolarHBondContact O-N 2.94Å; Y43-S46 PolarHBondContact O-N 3.25Å
44N59.8Low58.4Low32 Ų3286.9 Ų86.917%0.17143%0.43CS..Hα-helixtrans-73.7-20.9180-75.6-59.4000113.6H10 G40 Y41 S46 W53H10-N44 PolarHBondContact NE2-ND2 2.99Å; G40-N44 WeakPolarHBondContact O-CB 3.13Å; G40-N44 PolarHBondContact O-N 3.42Å; G40-N44 PolarHBondContact O-ND2 3.05Å; Y41-N44 PolarHBondContact O-N 3.25Å; N44-S46 PolarHBondContact O-N 3.47Å; N44-W53 WeakPolarHBondContact OD1-CH2 3.45Å
45M55.6Low59.4Low136 Ų13683.1 Ų83.167%0.6742%0.415SS*.THydrogen-bonded Turntrans-67.1-19.3174.7-168.6163.4-174.500112.8Y41 Y43Y41-M45 HydrophobicContact CE1-SD 4.01Å; Y41-M45 WeakPolarHBondContact O-CB 3.34Å; Y41-M45 PolarHBondContact O-N 3.18Å; Y43-M45 VanDerWaalsContact C-N 3.32Å; Y43-M45 PolarHBondContact O-N 2.94Å
46S58.3Low60.3Low100 Ų10084.2 Ų84.270%0.69942%0.422SS*.SBendtrans-87.8-24.7-175.2-58.50000114Y43 N44Y43-S46 PolarHBondContact O-N 3.25Å; N44-S46 PolarHBondContact O-N 3.47Å
47E56.1Low61Low143 Ų14379.8 Ų79.867%0.66841%0.405SS*.SBendtrans-90.7142.3179.5-62.1-73.215500109Y49E47-Y49 PolarHBondContact O-N 3.13Å
48T54.8Low61.9Low127 Ų12781.3 Ų81.378%0.77942%0.416SS*.  trans-34.1122.4-177.248.60000112.9D50T48-D50 VanDerWaalsContact C-N 3.28Å; T48-D50 PolarHBondContact O-N 3.02Å
49Y51.6Low62.6Low172 Ų17280 Ų8068%0.67541%0.408SS*.  trans-59.283.9-178.7-170.8-100.5000111.4E47 L51E47-Y49 PolarHBondContact O-N 3.13Å; Y49-L51 HydrophobicContact CD1-CD1 4.43Å; Y49-L51 HydrophobicContact CD1-CD2 4.3Å; Y49-L51 HydrophobicContact CD1-CG 3.89Å; Y49-L51 HydrophobicContact CE1-CD1 4.07Å; Y49-L51 HydrophobicContact CE1-CD2 3.37Å; Y49-L51 HydrophobicContact CE1-CG 3.45Å; Y49-L51 VanDerWaalsContact CE1-CG 3.45Å
50D53.1Low63.4Low70 Ų7079 Ų7937%0.37440%0.398SS..  trans-88.9105.8169.6-169.8-12.2000107.9T48 S52 T54T48-D50 VanDerWaalsContact C-N 3.28Å; T48-D50 PolarHBondContact O-N 3.02Å; D50-S52 PolarHBondContact O-N 3.34Å; D50-S52 VanDerWaalsContact O-N 3.11Å; D50-S52 VanDerWaalsContact OD1-CB 3.31Å; D50-S52 WeakPolarHBondContact OD1-CB 3.35Å; D50-S52 PolarHBondContact OD1-N 3.02Å; D50-S52 VanDerWaalsContact OD1-N 3.1Å; D50-S52 PolarHBondContact OD1-OG 2.88Å; D50-T54 PolarHBondContact O-OG1 3.24Å
51L59.6Low64.3Low103 Ų10379.5 Ų79.554%0.53940%0.399SS..Hα-helixtrans-56.8-19.7179.2-82155.7000113Y49 M55Y49-L51 HydrophobicContact CD1-CD1 4.43Å; Y49-L51 HydrophobicContact CD1-CD2 4.3Å; Y49-L51 HydrophobicContact CD1-CG 3.89Å; Y49-L51 HydrophobicContact CE1-CD1 4.07Å; Y49-L51 HydrophobicContact CE1-CD2 3.37Å; Y49-L51 HydrophobicContact CE1-CG 3.45Å; Y49-L51 VanDerWaalsContact CE1-CG 3.45Å; L51-M55 VanDerWaalsContact O-CG 3.3Å; L51-M55 WeakPolarHBondContact O-CG 3.46Å
52S59.4Low65Low69 Ų6979.4 Ų79.448%0.48341%0.407SS..Hα-helixtrans-74.5-40-167.7-45.60000113.6D50D50-S52 PolarHBondContact O-N 3.34Å; D50-S52 VanDerWaalsContact O-N 3.11Å; D50-S52 VanDerWaalsContact OD1-CB 3.31Å; D50-S52 WeakPolarHBondContact OD1-CB 3.35Å; D50-S52 PolarHBondContact OD1-N 3.02Å; D50-S52 VanDerWaalsContact OD1-N 3.1Å; D50-S52 PolarHBondContact OD1-OG 2.88Å
53W58.8Low65.9Low70 Ų7077.1 Ų77.127%0.26539%0.393SS..Hα-helixtrans-120.7-20.8-170.271-92.3000114.5Y4 N44 M55 P56Y4-W53 HydrophobicContact CE1-CB 4.36Å; N44-W53 WeakPolarHBondContact OD1-CH2 3.45Å; W53-M55 VanDerWaalsContact C-N 3.35Å; W53-P56 VanDerWaalsContact O-CD 3.25Å; W53-P56 WeakPolarHBondContact O-CD 3.46Å; W53-P56 WeakPolarHBondContact O-CG 3.37Å
54T67.1Low67Low17 Ų1769.1 Ų69.110%0.10436%0.362CS..Hα-helixtrans-70.6-33.4178.155.20000111.6D50 Q57 C58D50-T54 PolarHBondContact O-OG1 3.24Å; T54-Q57 WeakPolarHBondContact O-CB 3.49Å; T54-Q57 PolarHBondContact O-N 3.35Å; T54-C58 PolarHBondContact O-N 3.05Å; T54-C58 PolarHBondContact O-SG 3.44Å
55M72.7Confident67.9Low64 Ų6470.2 Ų70.232%0.31537%0.367SS..Hα-helixtrans-56.6-53.3177.9-68.1-63.79900114L51 W53 Q57 C58 V59L51-M55 VanDerWaalsContact O-CG 3.3Å; L51-M55 WeakPolarHBondContact O-CG 3.46Å; W53-M55 VanDerWaalsContact C-N 3.35Å; M55-Q57 VanDerWaalsContact C-N 3.3Å; M55-Q57 PolarHBondContact O-N 3.04Å; M55-C58 WeakPolarHBondContact O-CB 3.35Å; M55-C58 PolarHBondContact O-N 3.3Å; M55-V59 WeakPolarHBondContact O-CG2 3.48Å; M55-V59 PolarHBondContact O-N 2.88Å
56P71.4Confident69.2Low31 Ų3164.9 Ų64.920%0.20135%0.348CS..Hα-helixtrans-66.6-31.2176.326.3-36.5000112.5Y4 W53 V59 L60Y4-P56 HydrophobicContact CE1-CG 3.9Å; Y4-P56 WeakPolarHBondContact OH-CG 3.32Å; W53-P56 VanDerWaalsContact O-CD 3.25Å; W53-P56 WeakPolarHBondContact O-CD 3.46Å; W53-P56 WeakPolarHBondContact O-CG 3.37Å; P56-V59 PolarHBondContact O-N 3.47Å; P56-L60 VanDerWaalsContact O-CB 3.24Å; P56-L60 WeakPolarHBondContact O-CB 3.35Å; P56-L60 PolarHBondContact O-N 3.47Å
57Q74.6Confident70.4Confident13 Ų1360.7 Ų60.76%0.06132%0.317CS..Hα-helixtrans-65.6-38.3174-173.7-84.4-27.100111.6T54 M55 T61T54-Q57 WeakPolarHBondContact O-CB 3.49Å; T54-Q57 PolarHBondContact O-N 3.35Å; M55-Q57 VanDerWaalsContact C-N 3.3Å; M55-Q57 PolarHBondContact O-N 3.04Å; Q57-T61 PolarHBondContact NE2-OG1 3.37Å; Q57-T61 WeakPolarHBondContact O-CB 2.97Å; Q57-T61 PolarHBondContact O-N 2.91Å; Q57-T61 PolarHBondContact O-OG1 3.42Å
58C75.4Confident71.5Confident40 Ų4054.9 Ų54.927%0.2729%0.291SS..Hα-helixtrans-65.1-47.9173.8-670000111.7T54 M55 L60 T61 L62T54-C58 PolarHBondContact O-N 3.05Å; T54-C58 PolarHBondContact O-SG 3.44Å; M55-C58 WeakPolarHBondContact O-CB 3.35Å; M55-C58 PolarHBondContact O-N 3.3Å; C58-L60 VanDerWaalsContact C-N 3.34Å; C58-L60 PolarHBondContact O-N 3.44Å; C58-T61 WeakPolarHBondContact O-CB 3.48Å; C58-T61 PolarHBondContact O-N 2.77Å; C58-T61 VanDerWaalsContact O-N 3.12Å; C58-L62 PolarHBondContact O-N 2.91Å
59V78.7Confident72.6Confident39 Ų3952.2 Ų52.224%0.23627%0.271CS..Hα-helixtrans-62.3-43.5178.4174.60000111M55 P56 T61 L62 R63 V130M55-V59 WeakPolarHBondContact O-CG2 3.48Å; M55-V59 PolarHBondContact O-N 2.88Å; P56-V59 PolarHBondContact O-N 3.47Å; V59-T61 VanDerWaalsContact C-N 3.25Å; V59-T61 PolarHBondContact O-N 2.94Å; V59-L62 PolarHBondContact O-N 3.4Å; V59-R63 WeakPolarHBondContact O-CB 3.41Å; V59-R63 PolarHBondContact O-N 3.28Å; V59-V130 HydrophobicContact CG1-CB 3.99Å; V59-V130 HydrophobicContact CG1-CG1 4.27Å; V59-V130 HydrophobicContact CG1-CG2 4.25Å; V59-V130 HydrophobicContact CG2-CB 4.2Å; V59-V130 HydrophobicContact CG2-CG1 4.04Å
60L79.7Confident74.2Confident15 Ų1546 Ų468%0.07925%0.25CC..Hα-helixtrans-58.6-40.9174.6177.361.6000111.1V15 P56 C58 R63 L64V15-L60 HydrophobicContact CG2-CD2 4.26Å; P56-L60 VanDerWaalsContact O-CB 3.24Å; P56-L60 WeakPolarHBondContact O-CB 3.35Å; P56-L60 PolarHBondContact O-N 3.47Å; C58-L60 VanDerWaalsContact C-N 3.34Å; C58-L60 PolarHBondContact O-N 3.44Å; L60-R63 PolarHBondContact O-N 3.39Å; L60-L64 HydrophobicContact CD1-CD1 4.35Å; L60-L64 HydrophobicContact CD1-CG 4.38Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.32Å
61T77.1Confident75.5Confident16 Ų1643.4 Ų43.410%0.09824%0.236CC..Hα-helixtrans-63.6-48.4178.3-62.40000111.9L37 Q57 C58 V59 R63 L64 I65L37-T61 HydrophobicContact CB-CG2 3.93Å; L37-T61 HydrophobicContact CD1-CG2 4.45Å; L37-T61 HydrophobicContact CD2-CG2 4.15Å; L37-T61 HydrophobicContact CG-CG2 4.39Å; Q57-T61 PolarHBondContact NE2-OG1 3.37Å; Q57-T61 WeakPolarHBondContact O-CB 2.97Å; Q57-T61 PolarHBondContact O-N 2.91Å; Q57-T61 PolarHBondContact O-OG1 3.42Å; C58-T61 WeakPolarHBondContact O-CB 3.48Å; C58-T61 PolarHBondContact O-N 2.77Å; C58-T61 VanDerWaalsContact O-N 3.12Å; V59-T61 VanDerWaalsContact C-N 3.25Å; V59-T61 PolarHBondContact O-N 2.94Å; T61-R63 VanDerWaalsContact C-N 3.25Å; T61-R63 PolarHBondContact O-N 2.93Å; T61-L64 PolarHBondContact O-N 2.92Å; T61-I65 HydrophobicContact CG2-CD1 4.11Å; T61-I65 WeakPolarHBondContact O-CG1 3.25Å; T61-I65 PolarHBondContact O-N 2.95Å
62L77.7Confident76.4Confident125 Ų12540.1 Ų40.165%0.65422%0.217SC*.Hα-helixtrans-58.8-39.2176.5-68.5175.9000112C58 V59 I65 G66C58-L62 PolarHBondContact O-N 2.91Å; V59-L62 PolarHBondContact O-N 3.4Å; L62-I65 PolarHBondContact O-N 3.3Å; L62-G66 PolarHBondContact O-N 3.29Å
63R82.5Confident77.1Confident67 Ų6739.4 Ų39.425%0.25321%0.208SC..Hα-helixtrans-67-40.9178.3-177.5166.3-168.3159.89.1112.5V59 L60 T61 I65 G66 L67 Y121 S127V59-R63 WeakPolarHBondContact O-CB 3.41Å; V59-R63 PolarHBondContact O-N 3.28Å; L60-R63 PolarHBondContact O-N 3.39Å; T61-R63 VanDerWaalsContact C-N 3.25Å; T61-R63 PolarHBondContact O-N 2.93Å; R63-I65 VanDerWaalsContact C-N 3.33Å; R63-G66 PolarHBondContact O-N 3.34Å; R63-L67 PolarHBondContact O-N 3.45Å; R63-Y121 HydrophobicContact CG-CD1 4.08Å; R63-Y121 HydrophobicContact CG-CE1 3.27Å; R63-Y121 VanDerWaalsContact NE-CE1 3.29Å; R63-Y121 PolarHBondContact NE-O 3.19Å; R63-S127 PolarHBondContact NH1-OG 3.41Å
64L82.5Confident78Confident2 Ų236.8 Ų36.81%0.0120%0.203CC..Hα-helixtrans-66.1-35.4174.5-71.3171.2000112V15 A18 L37 L60 T61 L67 I68 V118V15-L64 HydrophobicContact CG2-CD1 4.37Å; A18-L64 HydrophobicContact CB-CB 4.47Å; A18-L64 HydrophobicContact CB-CD1 4Å; A18-L64 HydrophobicContact CB-CD2 4.02Å; A18-L64 HydrophobicContact CB-CG 4.39Å; L37-L64 HydrophobicContact CD1-CB 4.43Å; L60-L64 HydrophobicContact CD1-CD1 4.35Å; L60-L64 HydrophobicContact CD1-CG 4.38Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.32Å; T61-L64 PolarHBondContact O-N 2.92Å; L64-L67 PolarHBondContact O-N 3.39Å; L64-I68 WeakPolarHBondContact O-CD1 3.1Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.49Å; L64-V118 HydrophobicContact CD2-CG1 4Å
65I79.6Confident78.3Confident55 Ų5538.3 Ų38.328%0.28222%0.222SC..Hα-helixtrans-62.5-46.1173.4-66.5163.6000110.5L37 T61 L62 R63 L67 I68 L69L37-I65 HydrophobicContact CD1-CG1 3.87Å; T61-I65 HydrophobicContact CG2-CD1 4.11Å; T61-I65 WeakPolarHBondContact O-CG1 3.25Å; T61-I65 PolarHBondContact O-N 2.95Å; L62-I65 PolarHBondContact O-N 3.3Å; R63-I65 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 2.99Å; I65-I68 PolarHBondContact O-N 3.34Å; I65-L69 HydrophobicContact CG2-CD1 4.18Å; I65-L69 WeakPolarHBondContact O-CG 3.34Å; I65-L69 PolarHBondContact O-N 3.33Å
66G82.3Confident78Confident25 Ų2537.2 Ų37.226%0.25822%0.216SC..Hα-helixtrans-56.8-47.8174.800000112.4L62 R63 I68 L69 D70L62-G66 PolarHBondContact O-N 3.29Å; R63-G66 PolarHBondContact O-N 3.34Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.02Å; G66-L69 WeakPolarHBondContact O-CB 3.49Å; G66-L69 PolarHBondContact O-N 3.36Å; G66-L69 VanDerWaalsContact O-N 3.13Å; G66-D70 VanDerWaalsContact O-CG 3.28Å; G66-D70 PolarHBondContact O-N 2.93Å
67L83.4Confident77.3Confident11 Ų1139.1 Ų39.16%0.05823%0.228CC..Hα-helixtrans-59.2-40.8177.1-18066.3000112.8R63 L64 I65 L69 D70 V71 I109 V118 Y121R63-L67 PolarHBondContact O-N 3.45Å; L64-L67 PolarHBondContact O-N 3.39Å; I65-L67 PolarHBondContact O-N 2.99Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-D70 PolarHBondContact O-N 3.34Å; L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.47Å; L67-V71 PolarHBondContact O-N 3.04Å; L67-I109 HydrophobicContact CD1-CD1 3.61Å; L67-V118 HydrophobicContact CD2-CB 4.48Å; L67-V118 HydrophobicContact CD2-CG1 4.01Å; L67-V118 HydrophobicContact CD2-CG2 4.11Å; L67-Y121 HydrophobicContact CB-CE1 3.96Å; L67-Y121 HydrophobicContact CD1-CE1 4.48Å; L67-Y121 HydrophobicContact CD2-CD1 4.04Å; L67-Y121 HydrophobicContact CD2-CE1 4.33Å; L67-Y121 HydrophobicContact CG-CE1 4.49Å
68I79.2Confident76.4Confident22 Ų2244.1 Ų44.111%0.11325%0.252CS..Hα-helixtrans-65.1-41177.7-69.5163.8000110.6V32 L37 L64 I65 G66 V71 Y72V32-I68 HydrophobicContact CG2-CG2 3.92Å; L37-I68 HydrophobicContact CD1-CD1 4.36Å; L64-I68 WeakPolarHBondContact O-CD1 3.1Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.49Å; I65-I68 PolarHBondContact O-N 3.34Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.02Å; I68-V71 PolarHBondContact O-N 3.23Å; I68-Y72 VanDerWaalsContact O-CB 3.31Å; I68-Y72 WeakPolarHBondContact O-CB 3.5Å; I68-Y72 PolarHBondContact O-N 2.98Å
69L79.4Confident75.5Confident71 Ų7146.6 Ų46.637%0.37227%0.265SS..Hα-helixtrans-65-42.7176-69.9172.7000111.5V32 I65 G66 L67 V71 Y72 D73V32-L69 HydrophobicContact CG1-CD2 3.9Å; V32-L69 HydrophobicContact CG1-CG 4.42Å; V32-L69 HydrophobicContact CG2-CD2 4.42Å; I65-L69 HydrophobicContact CG2-CD1 4.18Å; I65-L69 WeakPolarHBondContact O-CG 3.34Å; I65-L69 PolarHBondContact O-N 3.33Å; G66-L69 WeakPolarHBondContact O-CB 3.49Å; G66-L69 PolarHBondContact O-N 3.36Å; G66-L69 VanDerWaalsContact O-N 3.13Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.03Å; L69-Y72 WeakPolarHBondContact O-CB 3.38Å; L69-Y72 PolarHBondContact O-N 2.97Å; L69-Y72 VanDerWaalsContact O-N 3.13Å; L69-D73 WeakPolarHBondContact O-CB 3.38Å; L69-D73 PolarHBondContact O-N 3.32Å
70D83.6Confident74.2Confident40 Ų4048.4 Ų48.421%0.21428%0.277CS..Hα-helixtrans-62.1-40.4177.5-67.8-24.8000111.9G66 L67 G74 I109G66-D70 VanDerWaalsContact O-CG 3.28Å; G66-D70 PolarHBondContact O-N 2.93Å; L67-D70 PolarHBondContact O-N 3.34Å; D70-G74 PolarHBondContact O-N 2.89Å; D70-G74 VanDerWaalsContact O-N 3.07Å; D70-I109 HydrophobicContact CB-CD1 4.01Å; D70-I109 HydrophobicContact CB-CG1 4.11Å; D70-I109 PolarHBondContact O-N 2.96Å
71V81.7Confident72.8Confident16 Ų1651.5 Ų51.510%0.09729%0.288CS..Hα-helixtrans-68.8-37.5173.9171.80000111.5L67 I68 L69 G75 I109 P113L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.47Å; L67-V71 PolarHBondContact O-N 3.04Å; I68-V71 PolarHBondContact O-N 3.23Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.03Å; V71-G75 PolarHBondContact O-N 3.4Å; V71-G75 VanDerWaalsContact O-N 3.17Å; V71-I109 HydrophobicContact CG2-CB 4.08Å; V71-I109 HydrophobicContact CG2-CD1 4.22Å; V71-I109 HydrophobicContact CG2-CG2 4.19Å; V71-P113 HydrophobicContact CG2-CG 4.07Å
72Y76.9Confident71.6Confident34 Ų3452.5 Ų52.513%0.13329%0.292CS..Hα-helixtrans-65.2-45.1176.9175-95.2000111.5V29 I68 L69 G75 Q76 Y81V29-Y72 HydrophobicContact CG1-CE1 4.34Å; V29-Y72 HydrophobicContact CG1-CE2 3.9Å; V29-Y72 VanDerWaalsContact CG1-CZ 3.47Å; V29-Y72 WeakPolarHBondContact CG1-OH 3.37Å; I68-Y72 VanDerWaalsContact O-CB 3.31Å; I68-Y72 WeakPolarHBondContact O-CB 3.5Å; I68-Y72 PolarHBondContact O-N 2.98Å; L69-Y72 WeakPolarHBondContact O-CB 3.38Å; L69-Y72 PolarHBondContact O-N 2.97Å; L69-Y72 VanDerWaalsContact O-N 3.13Å; Y72-G75 PolarHBondContact O-N 2.86Å; Y72-Q76 PolarHBondContact OH-NE2 3.25Å; Y72-Y81 PolarHBondContact OH-OH 3.16Å
73D75.3Confident70.5Confident54 Ų5448.9 Ų48.929%0.28928%0.281SS..Hα-helixtrans-66-37.7178.5-75.4-10.9000111.7L69 G75 Q76 A108L69-D73 WeakPolarHBondContact O-CB 3.38Å; L69-D73 PolarHBondContact O-N 3.32Å; D73-G75 VanDerWaalsContact C-N 3.29Å; D73-G75 PolarHBondContact O-N 2.95Å; D73-Q76 WeakPolarHBondContact O-CB 3.34Å; D73-Q76 PolarHBondContact O-N 3.22Å; D73-A108 HydrophobicContact CB-CB 4.29Å
74G77.9Confident69.1Low16 Ų1653.8 Ų53.817%0.16530%0.304CS..Hα-helixtrans-70.8-21.517600000114.7D70 Q76 I109D70-G74 PolarHBondContact O-N 2.89Å; D70-G74 VanDerWaalsContact O-N 3.07Å; G74-Q76 VanDerWaalsContact C-N 3.28Å; G74-I109 WeakPolarHBondContact CA-O 3.36Å
75G73.2Confident68Low49 Ų4958.2 Ų58.251%0.50533%0.331SS..THydrogen-bonded Turntrans-76.6-13171.900000113.8V71 Y72 D73 P77V71-G75 PolarHBondContact O-N 3.4Å; V71-G75 VanDerWaalsContact O-N 3.17Å; Y72-G75 PolarHBondContact O-N 2.86Å; D73-G75 VanDerWaalsContact C-N 3.29Å; D73-G75 PolarHBondContact O-N 2.95Å; G75-P77 WeakPolarHBondContact O-CD 3.36Å
76Q65.3Low66.7Low40 Ų4059.7 Ų59.719%0.18734%0.339CS..SBendtrans-78.3123.3177-59.2-60.8-6.400110.2Y72 D73 G74 E78 Y81Y72-Q76 PolarHBondContact OH-NE2 3.25Å; D73-Q76 WeakPolarHBondContact O-CB 3.34Å; D73-Q76 PolarHBondContact O-N 3.22Å; G74-Q76 VanDerWaalsContact C-N 3.28Å; Q76-E78 PolarHBondContact O-N 3.42Å; Q76-Y81 VanDerWaalsContact CD-CG 3.45Å; Q76-Y81 HydrophobicContact CG-CD1 4.32Å; Q76-Y81 HydrophobicContact CG-CG 4.39Å; Q76-Y81 VanDerWaalsContact NE2-CE1 3.33Å; Q76-Y81 VanDerWaalsContact OE1-CE2 3.32Å
77P56.7Low65.5Low71 Ų7168.2 Ų68.246%0.46137%0.369SS..  trans-60.1111163.425.1-32.1000106.9G75 V79 T80 Y81G75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-V79 PolarHBondContact O-N 3.48Å; P77-T80 PolarHBondContact O-N 3Å; P77-Y81 PolarHBondContact O-N 3.43Å
78E56.7Low64.1Low118 Ų11868.7 Ų68.755%0.55137%0.374SS*.THydrogen-bonded Turntrans-41-21.5-172.3-168.6174.8-179.800115Q76 Q97Q76-E78 PolarHBondContact O-N 3.42Å; E78-Q97 PolarHBondContact OE1-NE2 2.67Å
79V56Low63.1Low92 Ų9271.7 Ų71.756%0.55840%0.395SS*.THydrogen-bonded Turntrans-122.1-19.5-174.9-143.50000114P77P77-V79 PolarHBondContact O-N 3.48Å
80T50.6Low62.1Low78 Ų7874.5 Ų74.548%0.47941%0.41SS..Hα-helixtrans-97.6-29.2-170.4-47.90000113.3P77 A83 K84P77-T80 PolarHBondContact O-N 3Å; T80-A83 PolarHBondContact O-N 3.07Å; T80-K84 PolarHBondContact O-N 3.05Å
81Y52.2Low60.9Low79 Ų7978.8 Ų78.831%0.3143%0.432SS..Hα-helixtrans-71.6-35.6179.9-157.2-113.5000112.4Y72 Q76 P77 A83 K84 V85Y72-Y81 PolarHBondContact OH-OH 3.16Å; Q76-Y81 VanDerWaalsContact CD-CG 3.45Å; Q76-Y81 HydrophobicContact CG-CD1 4.32Å; Q76-Y81 HydrophobicContact CG-CG 4.39Å; Q76-Y81 VanDerWaalsContact NE2-CE1 3.33Å; Q76-Y81 VanDerWaalsContact OE1-CE2 3.32Å; P77-Y81 PolarHBondContact O-N 3.43Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 3.46Å; Y81-K84 PolarHBondContact O-N 3.17Å; Y81-K84 VanDerWaalsContact O-N 3.12Å; Y81-V85 HydrophobicContact CD1-CB 4.47Å; Y81-V85 HydrophobicContact CD1-CG2 3.45Å; Y81-V85 VanDerWaalsContact CD1-CG2 3.45Å; Y81-V85 HydrophobicContact CD2-CG2 4.19Å; Y81-V85 HydrophobicContact CE1-CG2 3.27Å; Y81-V85 HydrophobicContact CE2-CG2 4.04Å; Y81-V85 HydrophobicContact CG-CG2 3.94Å; Y81-V85 WeakPolarHBondContact O-CB 3.49Å; Y81-V85 WeakPolarHBondContact O-CG2 3.48Å; Y81-V85 PolarHBondContact O-N 2.73Å
82L50Low59.7Low37 Ų3781.6 Ų81.619%0.19445%0.446CS..Hα-helixtrans-62.8-39.4173.3-62.9178.3000111.6K84 L86 I93 L96 Q97L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 2.75Å; L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 PolarHBondContact O-N 3.25Å; L82-I93 HydrophobicContact CB-CB 4.18Å; L82-I93 HydrophobicContact CB-CD1 4.22Å; L82-I93 HydrophobicContact CB-CG1 3.9Å; L82-I93 HydrophobicContact CB-CG2 3.55Å; L82-I93 HydrophobicContact CD1-CG2 3.65Å; L82-I93 HydrophobicContact CG-CG2 4.22Å; L82-L96 HydrophobicContact CD2-CB 4.19Å; L82-L96 HydrophobicContact CD2-CD2 3.26Å; L82-L96 HydrophobicContact CD2-CG 4.07Å; L82-Q97 HydrophobicContact CD1-CB 4.2Å
83A54.7Low58.6Low50 Ų5080.3 Ų80.341%0.41344%0.442SS..Hα-helixtrans-66.7-33.7173.100000112.7T80 Y81 I93T80-A83 PolarHBondContact O-N 3.07Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 3.46Å; A83-I93 HydrophobicContact CB-CD1 3.87Å
84K54.2Low57.9Low169 Ų16982.6 Ų82.674%0.73546%0.457SS*.Hα-helixtrans-82.7-42.2-178.3-110.8-179.9-178176.40114.4T80 Y81 L82T80-K84 PolarHBondContact O-N 3.05Å; Y81-K84 PolarHBondContact O-N 3.17Å; Y81-K84 VanDerWaalsContact O-N 3.12Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 2.75Å
85V58.2Low56.8Low95 Ų9584.7 Ų84.758%0.57647%0.469SS*.Hα-helixtrans-78.6-42.4-176.3172.50000111.2Y81Y81-V85 HydrophobicContact CD1-CB 4.47Å; Y81-V85 HydrophobicContact CD1-CG2 3.45Å; Y81-V85 VanDerWaalsContact CD1-CG2 3.45Å; Y81-V85 HydrophobicContact CD2-CG2 4.19Å; Y81-V85 HydrophobicContact CE1-CG2 3.27Å; Y81-V85 HydrophobicContact CE2-CG2 4.04Å; Y81-V85 HydrophobicContact CG-CG2 3.94Å; Y81-V85 WeakPolarHBondContact O-CB 3.49Å; Y81-V85 WeakPolarHBondContact O-CG2 3.48Å; Y81-V85 PolarHBondContact O-N 2.73Å
86L53.8Low55.7Low87 Ų8786.1 Ų86.146%0.45546%0.464SS..Hα-helixtrans-89.9-18.8-173.3-151.267.8000112.7L82 A88 D92L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 PolarHBondContact O-N 3.25Å; L86-A88 HydrophobicContact CB-CB 3.78Å; L86-A88 HydrophobicContact CD2-CB 3.5Å; L86-A88 HydrophobicContact CG-CB 3.48Å; L86-A88 VanDerWaalsContact CG-CB 3.48Å; L86-A88 WeakPolarHBondContact O-CB 3.31Å; L86-A88 PolarHBondContact O-N 3.14Å; L86-D92 HydrophobicContact CD2-CB 4.17Å
87K57.5Low55.2Low203 Ų20386.5 Ų86.588%0.88347%0.466SS*.  trans44.527.8-172.6-129.3-177.7-164.8177.90111.8
88A52.5Low55.1Low21 Ų2187.2 Ų87.217%0.17447%0.473CS..  trans-105.4152-167.700000109.1L86 D92L86-A88 HydrophobicContact CB-CB 3.78Å; L86-A88 HydrophobicContact CD2-CB 3.5Å; L86-A88 HydrophobicContact CG-CB 3.48Å; L86-A88 VanDerWaalsContact CG-CB 3.48Å; L86-A88 WeakPolarHBondContact O-CB 3.31Å; L86-A88 PolarHBondContact O-N 3.14Å; A88-D92 HydrophobicContact CB-CB 4.04Å
89P57.9Low55Low85 Ų8588.1 Ų88.155%0.55248%0.479SS*.  trans-54.6147.417922.6-32.8000110.9I91 D92P89-I91 HydrophobicContact CB-CG2 4.24Å; P89-I91 HydrophobicContact CG-CG2 4.13Å; P89-I91 PolarHBondContact O-N 2.85Å; P89-D92 WeakPolarHBondContact CD-OD2 3.46Å; P89-D92 WeakPolarHBondContact CG-OD2 3.28Å; P89-D92 PolarHBondContact O-N 3.05Å
90L59.4Low55.3Low131 Ų13186.6 Ų86.669%0.68647%0.467SS*.Hα-helixtrans-49.1-23.9-177-167.166.4000114I93 V94L90-I93 HydrophobicContact CD1-CD1 4.4Å; L90-I93 PolarHBondContact O-N 3.22Å; L90-V94 PolarHBondContact O-N 3.47Å
91I58.2Low56.1Low130 Ų13085.8 Ų85.867%0.66747%0.465SS*.Hα-helixtrans-66.6-37176.4-154.378.4000113P89 I93 C95P89-I91 HydrophobicContact CB-CG2 4.24Å; P89-I91 HydrophobicContact CG-CG2 4.13Å; P89-I91 PolarHBondContact O-N 2.85Å; I91-I93 VanDerWaalsContact C-N 3.34Å; I91-C95 PolarHBondContact O-N 3.23Å
92D56Low57.3Low75 Ų7589.1 Ų89.140%0.40148%0.483SS..Hα-helixtrans-76.1-27.4179.9-66.5-32.7000111.3L86 A88 P89 C95 L96L86-D92 HydrophobicContact CD2-CB 4.17Å; A88-D92 HydrophobicContact CB-CB 4.04Å; P89-D92 WeakPolarHBondContact CD-OD2 3.46Å; P89-D92 WeakPolarHBondContact CG-OD2 3.28Å; P89-D92 PolarHBondContact O-N 3.05Å; D92-C95 WeakPolarHBondContact O-CB 3.5Å; D92-C95 PolarHBondContact O-N 2.76Å; D92-L96 PolarHBondContact O-N 3.12Å
93I55Low58.5Low7 Ų795.5 Ų95.54%0.03651%0.506CS..Hα-helixtrans-68-43.4175.9-64.3177.8000110.9L82 A83 L90 I91 C95 L96 Q97L82-I93 HydrophobicContact CB-CB 4.18Å; L82-I93 HydrophobicContact CB-CD1 4.22Å; L82-I93 HydrophobicContact CB-CG1 3.9Å; L82-I93 HydrophobicContact CB-CG2 3.55Å; L82-I93 HydrophobicContact CD1-CG2 3.65Å; L82-I93 HydrophobicContact CG-CG2 4.22Å; A83-I93 HydrophobicContact CB-CD1 3.87Å; L90-I93 HydrophobicContact CD1-CD1 4.4Å; L90-I93 PolarHBondContact O-N 3.22Å; I91-I93 VanDerWaalsContact C-N 3.34Å; I93-C95 PolarHBondContact O-N 2.97Å; I93-L96 PolarHBondContact O-N 3.41Å; I93-Q97 PolarHBondContact O-N 3.46Å
94V59.5Low59.5Low101 Ų10196.8 Ų96.861%0.61250%0.503SS*.Hα-helixtrans-61.1-38173.7173.30000110.2L90 S98L90-V94 PolarHBondContact O-N 3.47Å; V94-S98 WeakPolarHBondContact O-CB 3.39Å; V94-S98 PolarHBondContact O-N 3.39Å
95C54.3Low60.5Low61 Ų6192.6 Ų92.641%0.41249%0.485SS..Hα-helixtrans-66-43.2174.1-165.20000111.8I91 D92 I93 S98 M99I91-C95 PolarHBondContact O-N 3.23Å; D92-C95 WeakPolarHBondContact O-CB 3.5Å; D92-C95 PolarHBondContact O-N 2.76Å; I93-C95 PolarHBondContact O-N 2.97Å; C95-S98 WeakPolarHBondContact CA-OG 3.49Å; C95-S98 CarbonylContact O-C 3.43Å; C95-S98 WeakPolarHBondContact O-CA 3.24Å; C95-S98 WeakPolarHBondContact O-CB 3.43Å; C95-S98 PolarHBondContact O-N 2.69Å; C95-S98 PolarHBondContact O-OG 2.92Å; C95-M99 WeakPolarHBondContact O-CG 3.35Å; C95-M99 PolarHBondContact O-N 3.48Å
96L50.6Low61.5Low79 Ų7996.2 Ų96.241%0.41449%0.493SS..Hα-helixtrans-69.7-36.2178.9-155.669.5000113.1L82 D92 I93 S98 M99 L100L82-L96 HydrophobicContact CD2-CB 4.19Å; L82-L96 HydrophobicContact CD2-CD2 3.26Å; L82-L96 HydrophobicContact CD2-CG 4.07Å; D92-L96 PolarHBondContact O-N 3.12Å; I93-L96 PolarHBondContact O-N 3.41Å; L96-S98 PolarHBondContact O-N 3.28Å; L96-M99 HydrophobicContact CD1-CB 4.33Å; L96-M99 HydrophobicContact CD1-CG 4.24Å; L96-M99 WeakPolarHBondContact O-CA 3.24Å; L96-M99 WeakPolarHBondContact O-CB 3.21Å; L96-M99 PolarHBondContact O-N 2.84Å; L96-L100 PolarHBondContact O-N 2.89Å
97Q55.9Low62.9Low48 Ų4893 Ų9322%0.22448%0.479CS..Hα-helixtrans-68.5-22.1170.3-168.9167.1-6.300111.8E78 L82 I93 K105E78-Q97 PolarHBondContact OE1-NE2 2.67Å; L82-Q97 HydrophobicContact CD1-CB 4.2Å; I93-Q97 PolarHBondContact O-N 3.46Å; Q97-K105 VanDerWaalsContact O-CE 3.28Å; Q97-K105 WeakPolarHBondContact O-CE 3.46Å; Q97-K105 PolarHBondContact O-NZ 3.37Å
98S53.6Low64.2Low86 Ų8684.8 Ų84.860%0.60145%0.449SS*.Hα-helixtrans-78.7-26.4167.281.50000113.4V94 C95 L96V94-S98 WeakPolarHBondContact O-CB 3.39Å; V94-S98 PolarHBondContact O-N 3.39Å; C95-S98 WeakPolarHBondContact CA-OG 3.49Å; C95-S98 CarbonylContact O-C 3.43Å; C95-S98 WeakPolarHBondContact O-CA 3.24Å; C95-S98 WeakPolarHBondContact O-CB 3.43Å; C95-S98 PolarHBondContact O-N 2.69Å; C95-S98 PolarHBondContact O-OG 2.92Å; L96-S98 PolarHBondContact O-N 3.28Å
99M55.7Low65.6Low136 Ų13686.3 Ų86.367%0.6745%0.454SS*.Hα-helixtrans-73.4-29171.1-62.1-65.7-157.300111.9C95 L96 S101C95-M99 WeakPolarHBondContact O-CG 3.35Å; C95-M99 PolarHBondContact O-N 3.48Å; L96-M99 HydrophobicContact CD1-CB 4.33Å; L96-M99 HydrophobicContact CD1-CG 4.24Å; L96-M99 WeakPolarHBondContact O-CA 3.24Å; L96-M99 WeakPolarHBondContact O-CB 3.21Å; L96-M99 PolarHBondContact O-N 2.84Å; M99-S101 PolarHBondContact O-N 3.5Å
100L61.4Low66.7Low61 Ų6190.2 Ų90.232%0.31946%0.462SS..SBendtrans-69.4112.1174.9-166.772000108.8L96 E102 Q104 K105L96-L100 PolarHBondContact O-N 2.89Å; L100-E102 PolarHBondContact O-N 3.03Å; L100-Q104 HydrophobicContact CD1-CB 3.7Å; L100-Q104 VanDerWaalsContact CD1-CD 3.47Å; L100-Q104 HydrophobicContact CD1-CG 4.22Å; L100-Q104 HydrophobicContact CG-CB 3.9Å; L100-K105 HydrophobicContact CD2-CD 4.4Å; L100-K105 HydrophobicContact CD2-CG 3.53Å; L100-K105 HydrophobicContact CG-CG 4.14Å
101S68.2Low67.8Low61 Ų6190.4 Ų90.443%0.42746%0.464SS..  trans-54.9141-178.7176.30000110.1M99 Y103 Q104 K105M99-S101 PolarHBondContact O-N 3.5Å; S101-Y103 PolarHBondContact O-N 3.42Å; S101-Y103 PolarHBondContact OG-N 3.5Å; S101-Q104 PolarHBondContact O-N 3.04Å; S101-K105 PolarHBondContact O-N 3.4Å
102E76.7Confident68.9Low148 Ų14889.1 Ų89.169%0.69245%0.453SS*.Hα-helixtrans-52-27.3175-65.1-163.6127.800112.3L100 K106L100-E102 PolarHBondContact O-N 3.03Å; E102-K106 WeakPolarHBondContact O-CG 3.43Å; E102-K106 PolarHBondContact O-N 2.89Å
103Y75.6Confident70.3Confident172 Ų17286.2 Ų86.268%0.67544%0.439SS*.Hα-helixtrans-64.1-46.6173.2-177.4-98.3000113S101 K105 K106 A107S101-Y103 PolarHBondContact O-N 3.42Å; S101-Y103 PolarHBondContact OG-N 3.5Å; Y103-K105 VanDerWaalsContact C-N 3.34Å; Y103-K105 PolarHBondContact O-N 3.3Å; Y103-K106 CarbonylContact O-C 3.59Å; Y103-K106 PolarHBondContact O-N 3.36Å; Y103-K106 VanDerWaalsContact O-N 3.1Å; Y103-A107 HydrophobicContact CD1-CB 4.5Å; Y103-A107 HydrophobicContact CE1-CB 4.19Å; Y103-A107 WeakPolarHBondContact O-CB 3.29Å; Y103-A107 PolarHBondContact O-N 3.42Å
104Q74.4Confident71.9Confident76 Ų7688.4 Ų88.436%0.35545%0.454SS..Hα-helixtrans-64.8-39.9-176.4-67.7174.6-8400111.4L100 S101 K106 A107 A108L100-Q104 HydrophobicContact CD1-CB 3.7Å; L100-Q104 VanDerWaalsContact CD1-CD 3.47Å; L100-Q104 HydrophobicContact CD1-CG 4.22Å; L100-Q104 HydrophobicContact CG-CB 3.9Å; S101-Q104 PolarHBondContact O-N 3.04Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.22Å; Q104-A107 PolarHBondContact O-N 3.31Å; Q104-A108 PolarHBondContact O-N 3.15Å
105K75.6Confident73Confident82 Ų8286.9 Ų86.936%0.35744%0.443SS..Hα-helixtrans-61.8-35174.5-66.8178-170.4164.80112.6Q97 L100 S101 Y103Q97-K105 VanDerWaalsContact O-CE 3.28Å; Q97-K105 WeakPolarHBondContact O-CE 3.46Å; Q97-K105 PolarHBondContact O-NZ 3.37Å; L100-K105 HydrophobicContact CD2-CD 4.4Å; L100-K105 HydrophobicContact CD2-CG 3.53Å; L100-K105 HydrophobicContact CG-CG 4.14Å; S101-K105 PolarHBondContact O-N 3.4Å; Y103-K105 VanDerWaalsContact C-N 3.34Å; Y103-K105 PolarHBondContact O-N 3.3Å
106K80.4Confident74.6Confident170 Ų17090.6 Ų90.674%0.73946%0.458SS*.Hα-helixtrans-78.7-31.3177.5-71.3172.9-177.7171.40112.5E102 Y103 Q104E102-K106 WeakPolarHBondContact O-CG 3.43Å; E102-K106 PolarHBondContact O-N 2.89Å; Y103-K106 CarbonylContact O-C 3.59Å; Y103-K106 PolarHBondContact O-N 3.36Å; Y103-K106 VanDerWaalsContact O-N 3.1Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.22Å
107A83.3Confident76.4Confident21 Ų2192.3 Ų92.317%0.17446%0.463CS..Hα-helixtrans-80.4-20.6179.800000113Y103 Q104 I109Y103-A107 HydrophobicContact CD1-CB 4.5Å; Y103-A107 HydrophobicContact CE1-CB 4.19Å; Y103-A107 WeakPolarHBondContact O-CB 3.29Å; Y103-A107 PolarHBondContact O-N 3.42Å; Q104-A107 PolarHBondContact O-N 3.31Å; A107-I109 WeakPolarHBondContact O-CG1 3.33Å; A107-I109 PolarHBondContact O-N 2.91Å
108A83.1Confident77.9Confident30 Ų3090 Ų9025%0.24845%0.453CS..  trans-57.9123-179.300000112.9D73 Q104D73-A108 HydrophobicContact CB-CB 4.29Å; Q104-A108 PolarHBondContact O-N 3.15Å
109I83.2Confident79.4Confident53 Ų5387.3 Ų87.327%0.27244%0.435SS..  trans-98.7111.7-177.1-60.7172.7000109.2L67 D70 V71 G74 A107 D111L67-I109 HydrophobicContact CD1-CD1 3.61Å; D70-I109 HydrophobicContact CB-CD1 4.01Å; D70-I109 HydrophobicContact CB-CG1 4.11Å; D70-I109 PolarHBondContact O-N 2.96Å; V71-I109 HydrophobicContact CG2-CB 4.08Å; V71-I109 HydrophobicContact CG2-CD1 4.22Å; V71-I109 HydrophobicContact CG2-CG2 4.19Å; G74-I109 WeakPolarHBondContact CA-O 3.36Å; A107-I109 WeakPolarHBondContact O-CG1 3.33Å; A107-I109 PolarHBondContact O-N 2.91Å; I109-D111 WeakPolarHBondContact CG2-O 3.45Å
110K80.2Confident81Confident167 Ų16783.7 Ų83.773%0.72643%0.427SS*.  trans-76.3-38.5-178-63.9-176.9179.3-178.10113.3
111D82.8Confident82.1Confident135 Ų13584.5 Ų84.572%0.72243%0.426SS*.SBendtrans-97.2140.4-177.1-69.8-50.8000111.2I109 P113I109-D111 WeakPolarHBondContact CG2-O 3.45Å; D111-P113 WeakPolarHBondContact O-CD 3.31Å
112K81.3Confident82.8Confident103 Ų10381.7 Ų81.745%0.44841%0.407SS..PPolyproline II helixtrans-67.4124.7-178.9-169.5172.3-55.2-132.50110.7C22 K23C22-K112 WeakPolarHBondContact O-CE 3.49Å; C22-K112 PolarHBondContact O-NZ 2.68Å; K23-K112 HydrophobicContact CB-CD 4.48Å; K23-K112 HydrophobicContact CG-CD 4.44Å; K23-K112 PolarHBondContact O-NZ 3.49Å
113P85Confident83.1Confident14 Ų1478 Ų789%0.09139%0.387CS..PPolyproline II helixtrans-67.3142-179.327.5-34.7000111.4V71 D111 E117 V118V71-P113 HydrophobicContact CG2-CG 4.07Å; D111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-E117 HydrophobicContact CB-CB 4.34Å; P113-V118 HydrophobicContact CB-CG2 3.97Å; P113-V118 HydrophobicContact CG-CG2 3.97Å
114S88.5Confident83.4Confident52 Ų5275.5 Ų75.536%0.36438%0.38SS..PPolyproline II helixtrans-71.4157.417167.10000111.3L116 E117 V118S114-L116 PolarHBondContact O-N 3.4Å; S114-E117 WeakPolarHBondContact CB-OE2 3.34Å; S114-E117 PolarHBondContact N-OE2 3.44Å; S114-E117 PolarHBondContact O-N 2.81Å; S114-E117 VanDerWaalsContact OG-CD 3.31Å; S114-E117 VanDerWaalsContact OG-CG 3.31Å; S114-E117 WeakPolarHBondContact OG-CG 3.22Å; S114-E117 PolarHBondContact OG-N 3.4Å; S114-E117 PolarHBondContact OG-OE2 2.86Å; S114-V118 WeakPolarHBondContact O-CG2 3.3Å; S114-V118 PolarHBondContact O-N 2.73Å
115L83.7Confident83.4Confident70 Ų7079.7 Ų79.737%0.36639%0.394SS..Hα-helixtrans-56.4-36.2179.4177.865.6000111.7F16 Y19 V118 A119F16-L115 HydrophobicContact CD2-CD1 4.44Å; Y19-L115 HydrophobicContact CD1-CB 4.2Å; Y19-L115 HydrophobicContact CD1-CD1 3.78Å; Y19-L115 HydrophobicContact CD1-CG 4.46Å; Y19-L115 HydrophobicContact CD2-CB 3.89Å; Y19-L115 HydrophobicContact CD2-CD1 4.09Å; Y19-L115 HydrophobicContact CE1-CB 4.12Å; Y19-L115 HydrophobicContact CE1-CD1 4.48Å; Y19-L115 HydrophobicContact CE2-CB 3.81Å; Y19-L115 HydrophobicContact CG-CB 4.09Å; Y19-L115 HydrophobicContact CG-CD1 3.54Å; Y19-L115 HydrophobicContact CG-CG 4.4Å; L115-V118 PolarHBondContact O-N 3.11Å; L115-A119 VanDerWaalsContact O-CB 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.25Å; L115-A119 PolarHBondContact O-N 2.83Å
116L87.8Confident83.2Confident139 Ų13977.2 Ų77.273%0.72839%0.391SS*.Hα-helixtrans-67.6-38.3179-173.661.7000111.8S114 A119 A120S114-L116 PolarHBondContact O-N 3.4Å; L116-A119 PolarHBondContact O-N 3.05Å; L116-A120 WeakPolarHBondContact O-CB 3.24Å; L116-A120 PolarHBondContact O-N 2.92Å
117E87.9Confident82.7Confident114 Ų11469.7 Ų69.753%0.53336%0.36SS..Hα-helixtrans-67.6-42.1175.7-72.3164.9134.300111.5P113 S114 A119 A120 Y121P113-E117 HydrophobicContact CB-CB 4.34Å; S114-E117 WeakPolarHBondContact CB-OE2 3.34Å; S114-E117 PolarHBondContact N-OE2 3.44Å; S114-E117 PolarHBondContact O-N 2.81Å; S114-E117 VanDerWaalsContact OG-CD 3.31Å; S114-E117 VanDerWaalsContact OG-CG 3.31Å; S114-E117 WeakPolarHBondContact OG-CG 3.22Å; S114-E117 PolarHBondContact OG-N 3.4Å; S114-E117 PolarHBondContact OG-OE2 2.86Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.12Å; E117-A120 PolarHBondContact O-N 3.23Å; E117-Y121 WeakPolarHBondContact O-CB 3.15Å; E117-Y121 PolarHBondContact O-N 3.22Å
118V87.2Confident81.9Confident1 Ų171.1 Ų71.11%0.00637%0.369CS..Hα-helixtrans-63.5-42.6175.4-176.70000110.6V15 Y19 L64 L67 P113 S114 L115 Y121 S122V15-V118 HydrophobicContact CG1-CG1 4.17Å; Y19-V118 HydrophobicContact CD2-CG2 4.29Å; L64-V118 HydrophobicContact CD2-CG1 4Å; L67-V118 HydrophobicContact CD2-CB 4.48Å; L67-V118 HydrophobicContact CD2-CG1 4.01Å; L67-V118 HydrophobicContact CD2-CG2 4.11Å; P113-V118 HydrophobicContact CB-CG2 3.97Å; P113-V118 HydrophobicContact CG-CG2 3.97Å; S114-V118 WeakPolarHBondContact O-CG2 3.3Å; S114-V118 PolarHBondContact O-N 2.73Å; L115-V118 PolarHBondContact O-N 3.11Å; V118-Y121 PolarHBondContact O-N 2.84Å; V118-S122 VanDerWaalsContact O-CB 3.24Å; V118-S122 WeakPolarHBondContact O-CB 3.48Å; V118-S122 PolarHBondContact O-N 2.92Å; V118-S122 PolarHBondContact O-OG 3.1Å
119A85.7Confident81Confident28 Ų2874.2 Ų74.223%0.23138%0.381CS..Hα-helixtrans-66.1-44.217700000111.9L115 L116 E117 S122 Y123L115-A119 VanDerWaalsContact O-CB 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.25Å; L115-A119 PolarHBondContact O-N 2.83Å; L116-A119 PolarHBondContact O-N 3.05Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.12Å; A119-S122 PolarHBondContact O-N 3.47Å; A119-Y123 WeakPolarHBondContact O-CB 3.41Å; A119-Y123 WeakPolarHBondContact O-CD2 3.22Å; A119-Y123 PolarHBondContact O-N 3.39Å
120A88.1Confident80Confident60 Ų6075.7 Ų75.750%0.49639%0.392SS..Hα-helixtrans-62.8-43.3176.300000111.5L116 E117 S122 F124L116-A120 WeakPolarHBondContact O-CB 3.24Å; L116-A120 PolarHBondContact O-N 2.92Å; E117-A120 PolarHBondContact O-N 3.23Å; A120-S122 VanDerWaalsContact C-N 3.33Å; A120-S122 PolarHBondContact O-N 2.87Å; A120-F124 WeakPolarHBondContact O-CA 3.32Å; A120-F124 VanDerWaalsContact O-CB 3.32Å; A120-F124 WeakPolarHBondContact O-CB 3.47Å; A120-F124 PolarHBondContact O-N 3.21Å
121Y85.9Confident79Confident78 Ų7869.5 Ų69.531%0.30638%0.376SS..Hα-helixtrans-62.9-39.3175.4179.9-104.3000112.3R63 L67 E117 V118 S127R63-Y121 HydrophobicContact CG-CD1 4.08Å; R63-Y121 HydrophobicContact CG-CE1 3.27Å; R63-Y121 VanDerWaalsContact NE-CE1 3.29Å; R63-Y121 PolarHBondContact NE-O 3.19Å; L67-Y121 HydrophobicContact CB-CE1 3.96Å; L67-Y121 HydrophobicContact CD1-CE1 4.48Å; L67-Y121 HydrophobicContact CD2-CD1 4.04Å; L67-Y121 HydrophobicContact CD2-CE1 4.33Å; L67-Y121 HydrophobicContact CG-CE1 4.49Å; E117-Y121 WeakPolarHBondContact O-CB 3.15Å; E117-Y121 PolarHBondContact O-N 3.22Å; V118-Y121 PolarHBondContact O-N 2.84Å; Y121-S127 PolarHBondContact O-OG 3.21Å
122S82.9Confident77.8Confident3 Ų368.4 Ų68.42%0.02138%0.376CS..Hα-helixtrans-68.9-49.6178.9-640000112.3V118 A119 A120 S127V118-S122 VanDerWaalsContact O-CB 3.24Å; V118-S122 WeakPolarHBondContact O-CB 3.48Å; V118-S122 PolarHBondContact O-N 2.92Å; V118-S122 PolarHBondContact O-OG 3.1Å; A119-S122 PolarHBondContact O-N 3.47Å; A120-S122 VanDerWaalsContact C-N 3.33Å; A120-S122 PolarHBondContact O-N 2.87Å; S122-S127 WeakPolarHBondContact O-CB 3.31Å; S122-S127 PolarHBondContact O-OG 3.1Å
123Y81.5Confident76.8Confident70 Ų7069.2 Ų69.228%0.27538%0.381SS..Hα-helixtrans-95.98.5-173.7-68.1-69.9000114.1M1 S11 M12 V15 A119 Y125M1-Y123 HydrophobicContact CE-CD1 3.71Å; M1-Y123 HydrophobicContact CE-CG 4.13Å; M1-Y123 WeakPolarHBondContact CE-O 3.48Å; S11-Y123 VanDerWaalsContact C-OH 3.28Å; S11-Y123 PolarHBondContact O-OH 3.36Å; M12-Y123 PolarHBondContact N-OH 2.91Å; V15-Y123 HydrophobicContact CG2-CE2 4.16Å; A119-Y123 WeakPolarHBondContact O-CB 3.41Å; A119-Y123 WeakPolarHBondContact O-CD2 3.22Å; A119-Y123 PolarHBondContact O-N 3.39Å; Y123-Y125 PolarHBondContact O-N 3.19Å
124F83.2Confident75.1Confident119 Ų11974.2 Ų74.252%0.52241%0.412SS..SBendtrans-55.8140171-171.3-108.6000110A120 G126 S127A120-F124 WeakPolarHBondContact O-CA 3.32Å; A120-F124 VanDerWaalsContact O-CB 3.32Å; A120-F124 WeakPolarHBondContact O-CB 3.47Å; A120-F124 PolarHBondContact O-N 3.21Å; F124-G126 PolarHBondContact O-N 3.44Å; F124-S127 VanDerWaalsContact O-CB 3.24Å; F124-S127 WeakPolarHBondContact O-CB 3.17Å; F124-S127 PolarHBondContact O-N 3.21Å; F124-S127 PolarHBondContact O-OG 3.04Å; F124-S127 VanDerWaalsContact O-OG 3.12Å
125Y73.1Confident73.3Confident164 Ų16476.1 Ų76.164%0.64342%0.424SS*.G310 helixtrans-55-35.9-172.4106.5-82.2000112.5Y123 S127 S128 L129Y123-Y125 PolarHBondContact O-N 3.19Å; Y125-S127 PolarHBondContact O-N 3.41Å; Y125-S128 PolarHBondContact O-N 3.19Å; Y125-L129 HydrophobicContact CD2-CD1 3.55Å; Y125-L129 HydrophobicContact CD2-CG 4.25Å; Y125-L129 HydrophobicContact CE2-CD1 3.34Å; Y125-L129 HydrophobicContact CE2-CG 4.43Å
126G72.2Confident71.1Confident30 Ų3085 Ų8531%0.30946%0.464SS..G310 helixtrans-63.6-21.1177.100000114.5F124F124-G126 PolarHBondContact O-N 3.44Å
127S69.8Low70.3Confident12 Ų1282.4 Ų82.48%0.08445%0.45CS..G310 helixtrans-72.5-33.7172.3-46.40000112.6R63 Y121 S122 F124 Y125R63-S127 PolarHBondContact NH1-OG 3.41Å; Y121-S127 PolarHBondContact O-OG 3.21Å; S122-S127 WeakPolarHBondContact O-CB 3.31Å; S122-S127 PolarHBondContact O-OG 3.1Å; F124-S127 VanDerWaalsContact O-CB 3.24Å; F124-S127 WeakPolarHBondContact O-CB 3.17Å; F124-S127 PolarHBondContact O-N 3.21Å; F124-S127 PolarHBondContact O-OG 3.04Å; F124-S127 VanDerWaalsContact O-OG 3.12Å; Y125-S127 PolarHBondContact O-N 3.41Å
128S66.3Low69.4Low52 Ų5280.7 Ų80.736%0.36445%0.446SS..THydrogen-bonded Turntrans-89.6-4.6-168.8-59.90000113.3Y125Y125-S128 PolarHBondContact O-N 3.19Å
129L64.3Low68.4Low94 Ų9485.1 Ų85.149%0.49247%0.47SS..THydrogen-bonded Turntrans-104.311.1-177.9-64-175.3000113.9Y125 G131 Q133Y125-L129 HydrophobicContact CD2-CD1 3.55Å; Y125-L129 HydrophobicContact CD2-CG 4.25Å; Y125-L129 HydrophobicContact CE2-CD1 3.34Å; Y125-L129 HydrophobicContact CE2-CG 4.43Å; L129-G131 PolarHBondContact O-N 3.35Å; L129-Q133 PolarHBondContact O-NE2 3.37Å
130V61.9Low67.4Low85 Ų8588.5 Ų88.552%0.51549%0.485SS..SBendtrans-92.492.2178.1-171.20000108.7V59V59-V130 HydrophobicContact CG1-CB 3.99Å; V59-V130 HydrophobicContact CG1-CG1 4.27Å; V59-V130 HydrophobicContact CG1-CG2 4.25Å; V59-V130 HydrophobicContact CG2-CB 4.2Å; V59-V130 HydrophobicContact CG2-CG1 4.04Å
131G60.5Low66.1Low37 Ų3790.3 Ų90.338%0.38148%0.484SS..SBendtrans142164.4175.700000112.4L129 Q133L129-G131 PolarHBondContact O-N 3.35Å; G131-Q133 PolarHBondContact O-N 2.77Å; G131-Q133 PolarHBondContact O-NE2 3.1Å; G131-Q133 PolarHBondContact O-OE1 3.06Å; G131-Q133 VanDerWaalsContact O-OE1 3.1Å
132P57.5Low64.7Low111 Ų11191.1 Ų91.172%0.72150%0.496SS*.  trans-60.8118.9174.7-1729.8000110.1V134P132-V134 HydrophobicContact CB-CG2 3.91Å; P132-V134 PolarHBondContact O-N 3.19Å
133Q59.5Low63.4Low120 Ų12097.4 Ų97.456%0.56153%0.53SS*.  trans-84.19.9173.1-59.580.84.900112.5L129 G131 C135L129-Q133 PolarHBondContact O-NE2 3.37Å; G131-Q133 PolarHBondContact O-N 2.77Å; G131-Q133 PolarHBondContact O-NE2 3.1Å; G131-Q133 PolarHBondContact O-OE1 3.06Å; G131-Q133 VanDerWaalsContact O-OE1 3.1Å; Q133-C135 VanDerWaalsContact C-N 3.28Å; Q133-C135 PolarHBondContact O-N 2.89Å
134V50.6Low62.1Low120 Ų12099.5 Ų99.573%0.72755%0.549SS*.  trans-72.789.5175.4-63.60000108.1P132 E136P132-V134 HydrophobicContact CB-CG2 3.91Å; P132-V134 PolarHBondContact O-N 3.19Å; V134-E136 PolarHBondContact O-N 3.28Å
135C49Very low60.3Low91 Ų9197.8 Ų97.862%0.61555%0.551SS**  trans-64.1108.2147.3-65.30000105Q133Q133-C135 VanDerWaalsContact C-N 3.28Å; Q133-C135 PolarHBondContact O-N 2.89Å
136E38.9Very low59.1Low258 Ų25891.8 Ų91.8100%1.20654%0.543SS*.  trans-76.40160.5-160.1159.9169.400109.5V134V134-E136 PolarHBondContact O-N 3.28Å

Retrieved 136 of 136 residues in 34.7 ms (Link to these results)