A0A096LNY9_HUMAN Loading...

Transmembrane protein 114

AlphaFold DB , UniProt , Accession A0A096LNY9, Species HUMAN (Homo sapiens, Human), Gene TMEM114, Length 177 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
1M49.8Very low68.3Low170 Ų170103.9 Ų103.984%0.83760%0.598SS**  0-27.80-114.8170.7104.500115.5V3 H4M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.11Å; M1-H4 PolarHBondContact O-N 3.29Å
2R52.1Low69.2Low234 Ų23496.7 Ų96.788%0.88356%0.56SS**Hα-helixtrans-58.4-32.4-178.5-84.9-178.4175.3171.1-1.2115.7H4 L5 G6R2-H4 VanDerWaalsContact C-N 3.33Å; R2-H4 PolarHBondContact O-N 3.05Å; R2-L5 PolarHBondContact O-N 3.3Å; R2-G6 PolarHBondContact O-N 3.44Å
3V54.9Low70Confident133 Ų13393.6 Ų93.681%0.80655%0.553SS**Hα-helixtrans-64.5-35.5-179.4-122.90000112.5M1 G7M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.11Å; V3-G7 PolarHBondContact O-N 3.26Å; V3-G7 VanDerWaalsContact O-N 3.11Å
4H65.6Low71.2Confident150 Ų15096.2 Ų96.269%0.69456%0.562SS**Hα-helixtrans-70.4-37.7176.1-105.4-79.6000112.4M1 R2 L8M1-H4 PolarHBondContact O-N 3.29Å; R2-H4 VanDerWaalsContact C-N 3.33Å; R2-H4 PolarHBondContact O-N 3.05Å; H4-L8 WeakPolarHBondContact O-CB 3.47Å; H4-L8 PolarHBondContact O-N 3.41Å
5L66.6Low71.8Confident101 Ų10193.9 Ų93.953%0.52955%0.55SS.*Hα-helixtrans-69.2-41.2177.9-124.188.1000111.7R2 L8 A9R2-L5 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 3.43Å; L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 2.98Å
6G70.9Confident72Confident48 Ų4889.4 Ų89.450%0.49553%0.529SS..Hα-helixtrans-64.6-43.1176.900000112.6R2 A9 G10R2-G6 PolarHBondContact O-N 3.44Å; G6-A9 PolarHBondContact O-N 2.98Å; G6-G10 PolarHBondContact O-N 2.93Å
7G77.8Confident72.4Confident49 Ų4987.5 Ų87.551%0.50553%0.526SS..Hα-helixtrans-63.2-42.6174.100000112.9V3 G10 A11V3-G7 PolarHBondContact O-N 3.26Å; V3-G7 VanDerWaalsContact O-N 3.11Å; G7-G10 PolarHBondContact O-N 3.43Å; G7-A11 WeakPolarHBondContact O-CB 3.37Å; G7-A11 PolarHBondContact O-N 2.95Å
8L73.9Confident72.8Confident123 Ų12388.3 Ų88.364%0.64453%0.527SS*.Hα-helixtrans-63.6-43176.4-126.894.7000112.1H4 L5 A11 A12H4-L8 WeakPolarHBondContact O-CB 3.47Å; H4-L8 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.43Å; L8-A11 PolarHBondContact O-N 2.83Å; L8-A12 WeakPolarHBondContact O-CB 3.35Å; L8-A12 PolarHBondContact O-N 2.93Å
9A77.4Confident73Confident49 Ų4983.8 Ų83.841%0.40550%0.5SS..Hα-helixtrans-65.6-39.9178.700000111.7L5 G6 A12 A13L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 2.98Å; G6-A9 PolarHBondContact O-N 2.98Å; A9-A12 PolarHBondContact O-N 3.38Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.91Å
10G81.4Confident73.2Confident34 Ų3486.9 Ų86.935%0.35151%0.507SS..Hα-helixtrans-62.7-45.1173.600000112.5G6 G7 A12 A13 L14G6-G10 PolarHBondContact O-N 2.93Å; G7-G10 PolarHBondContact O-N 3.43Å; G10-A12 PolarHBondContact O-N 3.04Å; G10-A13 PolarHBondContact O-N 3.38Å; G10-L14 WeakPolarHBondContact O-CG 3.39Å; G10-L14 PolarHBondContact O-N 2.92Å
11A80.9Confident73.6Confident52 Ų5287 Ų8743%0.4351%0.508SS..Hα-helixtrans-63-40.9176.300000112.2G7 L8 L14 T15G7-A11 WeakPolarHBondContact O-CB 3.37Å; G7-A11 PolarHBondContact O-N 2.95Å; L8-A11 PolarHBondContact O-N 2.83Å; A11-L14 PolarHBondContact O-N 3.44Å; A11-T15 WeakPolarHBondContact O-CB 3.38Å; A11-T15 PolarHBondContact O-N 2.92Å; A11-T15 PolarHBondContact O-OG1 3.42Å
12A79.1Confident74.7Confident17 Ų1780.9 Ų80.914%0.1448%0.479CS..Hα-helixtrans-64.3-42.7175.800000111.8L8 A9 G10 T15 G16 T156 F160L8-A12 WeakPolarHBondContact O-CB 3.35Å; L8-A12 PolarHBondContact O-N 2.93Å; A9-A12 PolarHBondContact O-N 3.38Å; G10-A12 PolarHBondContact O-N 3.04Å; A12-T15 PolarHBondContact O-N 3.49Å; A12-G16 PolarHBondContact O-N 3.35Å; A12-T156 HydrophobicContact CB-CG2 4.39Å; A12-T156 WeakPolarHBondContact O-CG2 3.41Å; A12-F160 HydrophobicContact CB-CE2 4.13Å; A12-F160 HydrophobicContact CB-CZ 4.12Å
13A80.3Confident75.7Confident57 Ų5771.7 Ų71.747%0.47145%0.447SS..Hα-helixtrans-63.8-43.1176.800000112.3A9 G10 G16 A17A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.91Å; G10-A13 PolarHBondContact O-N 3.38Å; A13-G16 PolarHBondContact O-N 2.97Å; A13-A17 WeakPolarHBondContact O-CB 3.37Å; A13-A17 PolarHBondContact O-N 3.45Å
14L85.9Confident76.7Confident130 Ų13067.7 Ų67.768%0.68143%0.428SS*.Hα-helixtrans-64.2-40.9175.7-73169.1000112G10 A11 A17 L18G10-L14 WeakPolarHBondContact O-CG 3.39Å; G10-L14 PolarHBondContact O-N 2.92Å; A11-L14 PolarHBondContact O-N 3.44Å; L14-A17 PolarHBondContact O-N 3.33Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 PolarHBondContact O-N 2.94Å
15T80.8Confident77.2Confident62 Ų6262.5 Ų62.538%0.3841%0.411SS..Hα-helixtrans-64.7-43.2177.5-55.70000111.3A11 A12 L18 S19 A152A11-T15 WeakPolarHBondContact O-CB 3.38Å; A11-T15 PolarHBondContact O-N 2.92Å; A11-T15 PolarHBondContact O-OG1 3.42Å; A12-T15 PolarHBondContact O-N 3.49Å; T15-L18 PolarHBondContact O-N 3.06Å; T15-S19 PolarHBondContact O-N 3.45Å; T15-A152 HydrophobicContact CG2-CB 4.41Å
16G74.2Confident77.5Confident21 Ų2157.7 Ų57.722%0.21639%0.386CS..Hα-helixtrans-66.5-37.5175.200000113.4A12 A13 S19 F20A12-G16 PolarHBondContact O-N 3.35Å; A13-G16 PolarHBondContact O-N 2.97Å; G16-S19 WeakPolarHBondContact CA-OG 3.43Å; G16-S19 PolarHBondContact O-N 3.3Å; G16-S19 PolarHBondContact O-OG 2.74Å; G16-F20 PolarHBondContact O-N 2.91Å; G16-F20 VanDerWaalsContact O-N 3.08Å
17A79.1Confident77.5Confident57 Ų5757.4 Ų57.447%0.47137%0.372SS..Hα-helixtrans-65.8-41.7174.100000111.4A13 L14 F20 V21A13-A17 WeakPolarHBondContact O-CB 3.37Å; A13-A17 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 3.33Å; A17-F20 PolarHBondContact O-N 3.39Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 2.98Å; A17-V21 VanDerWaalsContact O-N 3.09Å
18L79.1Confident77.1Confident103 Ų10357.7 Ų57.754%0.53938%0.375SS..Hα-helixtrans-64.7-42.5176.4-175.365.2000111.4L14 T15 F20 V21 L22L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 PolarHBondContact O-N 2.94Å; T15-L18 PolarHBondContact O-N 3.06Å; L18-F20 VanDerWaalsContact C-N 3.31Å; L18-F20 PolarHBondContact O-N 2.96Å; L18-V21 PolarHBondContact O-N 3.17Å; L18-L22 HydrophobicContact CG-CD1 4.19Å; L18-L22 HydrophobicContact CG-CG 4.44Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.2Å
19S77.4Confident77Confident3 Ų354 Ų542%0.02136%0.358CS..Hα-helixtrans-60.8-42.1176.970.30000111.3T15 G16 V21 L22 L23 S149T15-S19 PolarHBondContact O-N 3.45Å; G16-S19 WeakPolarHBondContact CA-OG 3.43Å; G16-S19 PolarHBondContact O-N 3.3Å; G16-S19 PolarHBondContact O-OG 2.74Å; S19-V21 PolarHBondContact O-N 2.94Å; S19-L22 PolarHBondContact O-N 3.15Å; S19-L23 WeakPolarHBondContact O-CB 3.28Å; S19-L23 PolarHBondContact O-N 3.31Å; S19-S149 WeakPolarHBondContact O-CB 3.43Å
20F77Confident76.5Confident145 Ų14553.4 Ų53.464%0.63635%0.348SS*.Hα-helixtrans-61.2-44.3176-178.6-98.1000112.6G16 A17 L18 L23 A24G16-F20 PolarHBondContact O-N 2.91Å; G16-F20 VanDerWaalsContact O-N 3.08Å; A17-F20 PolarHBondContact O-N 3.39Å; L18-F20 VanDerWaalsContact C-N 3.31Å; L18-F20 PolarHBondContact O-N 2.96Å; F20-L23 PolarHBondContact O-N 3Å; F20-A24 WeakPolarHBondContact O-CB 3.49Å; F20-A24 PolarHBondContact O-N 3.12Å
21V80.6Confident75.8Confident89 Ų8956.3 Ų56.354%0.53935%0.351SS..Hα-helixtrans-64.3-42.1177.7172.70000111.2A17 L18 S19 L23 A24 A25A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 2.98Å; A17-V21 VanDerWaalsContact O-N 3.09Å; L18-V21 PolarHBondContact O-N 3.17Å; S19-V21 PolarHBondContact O-N 2.94Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-A24 PolarHBondContact O-N 3.35Å; V21-A25 WeakPolarHBondContact O-CB 3.47Å; V21-A25 PolarHBondContact O-N 3.48Å
22L73.9Confident75.3Confident41 Ų4154.2 Ų54.222%0.21533%0.332CS..Hα-helixtrans-64.5-39.1176.9-70.2177.9000112L18 S19 A25 A26 L145 I148L18-L22 HydrophobicContact CG-CD1 4.19Å; L18-L22 HydrophobicContact CG-CG 4.44Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.2Å; S19-L22 PolarHBondContact O-N 3.15Å; L22-A25 PolarHBondContact O-N 3.25Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.88Å; L22-L145 HydrophobicContact CD2-CD2 4.19Å; L22-I148 HydrophobicContact CD1-CG2 4.21Å
23L73.9Confident74.4Confident41 Ų4156.3 Ų56.322%0.21534%0.337CS..Hα-helixtrans-66.3-44.1175.4-176.163.9000111.5S19 F20 V21 A25 A26 I27S19-L23 WeakPolarHBondContact O-CB 3.28Å; S19-L23 PolarHBondContact O-N 3.31Å; F20-L23 PolarHBondContact O-N 3Å; V21-L23 VanDerWaalsContact C-N 3.34Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.09Å; L23-A26 WeakPolarHBondContact O-CB 3.29Å; L23-A26 PolarHBondContact O-N 3.37Å; L23-I27 HydrophobicContact CD1-CD1 4.23Å; L23-I27 HydrophobicContact CG-CD1 4.01Å; L23-I27 WeakPolarHBondContact O-CG1 3.32Å; L23-I27 PolarHBondContact O-N 3.39Å
24A74.8Confident73.5Confident50 Ų5055.3 Ų55.341%0.41332%0.323SS..Hα-helixtrans-62.2-41.4176.100000111.5F20 V21 I27 G28F20-A24 WeakPolarHBondContact O-CB 3.49Å; F20-A24 PolarHBondContact O-N 3.12Å; V21-A24 PolarHBondContact O-N 3.35Å; A24-I27 PolarHBondContact O-N 3.3Å; A24-G28 PolarHBondContact O-N 3.09Å
25A76.9Confident72.1Confident40 Ų4052.7 Ų52.733%0.33131%0.309SS..Hα-helixtrans-64.1-42.8173.800000111.6V21 L22 L23 G28 T29V21-A25 WeakPolarHBondContact O-CB 3.47Å; V21-A25 PolarHBondContact O-N 3.48Å; L22-A25 PolarHBondContact O-N 3.25Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.09Å; A25-G28 PolarHBondContact O-N 2.94Å; A25-T29 WeakPolarHBondContact O-CB 3.31Å; A25-T29 WeakPolarHBondContact O-CG2 3.4Å; A25-T29 PolarHBondContact O-N 3.42Å; A25-T29 PolarHBondContact O-OG1 3.46Å
26A72.2Confident70.8Confident1 Ų152.9 Ų52.91%0.00831%0.308CS..Hα-helixtrans-58.9-48.8175.200000111L22 L23 G28 T29 W32 S142 L145L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.88Å; L23-A26 WeakPolarHBondContact O-CB 3.29Å; L23-A26 PolarHBondContact O-N 3.37Å; A26-G28 VanDerWaalsContact C-N 3.31Å; A26-G28 PolarHBondContact O-N 2.85Å; A26-T29 PolarHBondContact O-OG1 2.95Å; A26-W32 PolarHBondContact O-NE1 3.06Å; A26-S142 VanDerWaalsContact CB-O 3.28Å; A26-S142 WeakPolarHBondContact CB-O 3.22Å; A26-L145 HydrophobicContact CB-CB 4.31Å
27I71.9Confident69.7Low41 Ų4154.2 Ų54.221%0.2131%0.312CS..Hα-helixtrans-66.9-32.7179.4-64.5166.7000112.2L23 A24 L68 W69 I108L23-I27 HydrophobicContact CD1-CD1 4.23Å; L23-I27 HydrophobicContact CG-CD1 4.01Å; L23-I27 WeakPolarHBondContact O-CG1 3.32Å; L23-I27 PolarHBondContact O-N 3.39Å; A24-I27 PolarHBondContact O-N 3.3Å; I27-L68 HydrophobicContact CG2-CD2 4.29Å; I27-W69 HydrophobicContact CG2-CZ2 4.3Å; I27-W69 VanDerWaalsContact O-CD1 3.29Å; I27-W69 PolarHBondContact O-NE1 3.08Å; I27-I108 HydrophobicContact CD1-CG2 4.41Å
28G68Low68.3Low55 Ų5557 Ų5757%0.56732%0.315SS*.Hα-helixtrans-86.8-10.5-175.600000115.5A24 A25 A26A24-G28 PolarHBondContact O-N 3.09Å; A25-G28 PolarHBondContact O-N 2.94Å; A26-G28 VanDerWaalsContact C-N 3.31Å; A26-G28 PolarHBondContact O-N 2.85Å
29T72.3Confident66.8Low47 Ų4758.2 Ų58.229%0.28831%0.312SS..  trans-97.9144.9-176.844.30000111.9A25 A26 F31 S142A25-T29 WeakPolarHBondContact O-CB 3.31Å; A25-T29 WeakPolarHBondContact O-CG2 3.4Å; A25-T29 PolarHBondContact O-N 3.42Å; A25-T29 PolarHBondContact O-OG1 3.46Å; A26-T29 PolarHBondContact O-OG1 2.95Å; T29-F31 VanDerWaalsContact C-N 3.26Å; T29-F31 PolarHBondContact O-N 2.69Å; T29-S142 VanDerWaalsContact OG1-CB 3.24Å; T29-S142 WeakPolarHBondContact OG1-CB 3.36Å; T29-S142 PolarHBondContact OG1-OG 3.43Å
30D66.1Low65.2Low35 Ų3563.7 Ų63.719%0.18734%0.341CS..SBendtrans-90.118.3-174.2-62-46.9000113.8H65 S66 G67D30-H65 CarbonylContact O-C 3.59Å; D30-S66 CarbonylContact O-C 3.49Å; D30-S66 PolarHBondContact O-N 2.94Å; D30-G67 VanDerWaalsContact CA-CA 3.44Å; D30-G67 PolarHBondContact O-N 2.98Å; D30-G67 VanDerWaalsContact O-N 3.11Å
31F68.1Low63.9Low95 Ų9562.9 Ų62.942%0.41734%0.339SS..  trans-114.950-176.2-57.9-85.3000111.1T29 H65 G140 S142T29-F31 VanDerWaalsContact C-N 3.26Å; T29-F31 PolarHBondContact O-N 2.69Å; F31-H65 HydrophobicContact CD1-CB 3.85Å; F31-H65 AromaticContact CD1-CG 3.64Å; F31-H65 AromaticContact CD1-ND1 3.71Å; F31-H65 HydrophobicContact CE1-CB 4.01Å; F31-H65 AromaticContact CE1-CD2 3.69Å; F31-H65 AromaticContact CE1-CG 3.61Å; F31-H65 AromaticContact CE1-ND1 3.96Å; F31-G140 CarbonylContact O-C 3.38Å; F31-G140 VanDerWaalsContact O-CA 3.22Å; F31-G140 WeakPolarHBondContact O-CA 3.44Å; F31-S142 WeakPolarHBondContact CB-OG 3.28Å; F31-S142 VanDerWaalsContact O-CB 3.27Å; F31-S142 WeakPolarHBondContact O-CB 3.45Å; F31-S142 PolarHBondContact O-N 3.3Å; F31-S142 PolarHBondContact O-OG 3.29Å
32W69.2Low62.5Low8 Ų866.1 Ų66.13%0.0334%0.342CS..SBendtrans-77.6-42.7171.8-8359.9000110.5A26 S66 I112 G140 L143A26-W32 PolarHBondContact O-NE1 3.06Å; W32-S66 WeakPolarHBondContact CB-O 3.42Å; W32-S66 PolarHBondContact N-O 3.31Å; W32-I112 HydrophobicContact CH2-CD1 4.28Å; W32-I112 HydrophobicContact CH2-CG1 4.04Å; W32-G140 PolarHBondContact O-N 3.08Å; W32-G140 VanDerWaalsContact O-N 3.07Å; W32-L143 HydrophobicContact CE3-CD1 4.17Å; W32-L143 HydrophobicContact CZ3-CD1 4.04Å
33Y61.1Low61.4Low62 Ų6268.4 Ų68.424%0.24336%0.358CS..EExtended strand (participates in β ladder)trans-131.8133.5-179.3-57.2-79.4000110.3S66 I137 F139Y33-S66 PolarHBondContact N-O 2.91Å; Y33-S66 VanDerWaalsContact N-O 3.08Å; Y33-S66 PolarHBondContact O-N 3.05Å; Y33-I137 HydrophobicContact CD1-CG2 3.91Å; Y33-F139 HydrophobicContact CD1-CD1 4.41Å; Y33-F139 HydrophobicContact CD1-CE1 4.43Å; Y33-F139 HydrophobicContact CE1-CD1 4.16Å; Y33-F139 AromaticContact CE1-CE1 3.93Å; Y33-F139 HydrophobicContact CE1-CE1 3.93Å
34I60.1Low59.9Low35 Ų3568.7 Ų68.718%0.17937%0.371CS..EExtended strand (participates in β ladder)trans-108.2109170.4-52.7-177.3000105.8S138I34-S138 PolarHBondContact N-O 2.96Å; I34-S138 PolarHBondContact O-N 3.31Å
35I57.3Low58.6Low76 Ų7671.3 Ų71.339%0.3938%0.383SS..EExtended strand (participates in β ladder)trans-93.1108.5176.9-57.1168.7000106.3T37 S64I35-T37 HydrophobicContact CG2-CG2 3.98Å; I35-S64 PolarHBondContact N-O 3.41Å
36D52.7Low57.3Low66 Ų6674 Ų7435%0.35342%0.415SS..  trans-95.5109.7175.9-139.5-29.7000109.7
37T51.8Low56.1Low48 Ų4877.6 Ų77.629%0.29445%0.445SS..  trans-91.91.7-17456.50000113.3I35 R39 L40I35-T37 HydrophobicContact CG2-CG2 3.98Å; T37-R39 PolarHBondContact O-N 3.32Å; T37-R39 VanDerWaalsContact O-N 3.15Å; T37-L40 PolarHBondContact O-N 2.86Å
38E49.5Very low54.8Low115 Ų11584.2 Ų84.254%0.53748%0.475SS..THydrogen-bonded Turntrans-61.1-24.7-173.361.3168.3-16500114.7
39R47.6Very low53.5Low129 Ų12989.2 Ų89.249%0.48749%0.488SS..THydrogen-bonded Turntrans-91.7-23.9179.8-90.9-83-179.6175.96.4113.6T37 R42 T43T37-R39 PolarHBondContact O-N 3.32Å; T37-R39 VanDerWaalsContact O-N 3.15Å; R39-R42 VanDerWaalsContact CD-NH1 3.31Å; R39-R42 WeakPolarHBondContact O-CB 3.46Å; R39-R42 PolarHBondContact O-N 3.42Å; R39-T43 PolarHBondContact O-OG1 3.5Å
40L45.2Very low52.3Low118 Ų11894.4 Ų94.462%0.61851%0.514SS*.THydrogen-bonded Turntrans-71.6-35.8179.1-138.685.7000111.6T37 R42 T43 G44T37-L40 PolarHBondContact O-N 2.86Å; L40-R42 PolarHBondContact O-N 3.02Å; L40-T43 PolarHBondContact O-N 3.35Å; L40-G44 PolarHBondContact O-N 3.47Å
41E48.9Very low51.2Low128 Ų128100.7 Ų100.760%0.59855%0.546SS*.THydrogen-bonded Turntrans-63.3-28.5170.2-80.9-167.1148.400112.5T43E41-T43 VanDerWaalsContact C-N 3.27Å; E41-T43 PolarHBondContact O-N 3.38Å
42R50.6Low49.9Very low157 Ų15799.4 Ų99.459%0.59256%0.559SS**THydrogen-bonded Turntrans-77.9-12.6-179.5-149.3-176.6-86.1108.3-8.3112.5R39 L40R39-R42 VanDerWaalsContact CD-NH1 3.31Å; R39-R42 WeakPolarHBondContact O-CB 3.46Å; R39-R42 PolarHBondContact O-N 3.42Å; L40-R42 PolarHBondContact O-N 3.02Å
43T51.8Low49.3Very low90 Ų90104.4 Ų104.455%0.55260%0.596SS**THydrogen-bonded Turntrans-123-3.3-172.2-50.50000114.9R39 L40 E41R39-T43 PolarHBondContact O-OG1 3.5Å; L40-T43 PolarHBondContact O-N 3.35Å; E41-T43 VanDerWaalsContact C-N 3.27Å; E41-T43 PolarHBondContact O-N 3.38Å
44G41.6Very low48.4Very low47 Ų47108.7 Ų108.749%0.48562%0.621SS.*SBendtrans-150.2140.9174.300000115.7L40L40-G44 PolarHBondContact O-N 3.47Å
45P48.7Very low47.3Very low105 Ų105114.1 Ų114.168%0.68265%0.651SS**  cis-112.4164.1-24.628-9.5000112.2A47P45-A47 HydrophobicContact CG-CB 4.13Å; P45-A47 PolarHBondContact O-N 2.93Å
46G49Very low46.6Very low97 Ų97121.8 Ų121.8100%168%0.675SS**SBendtrans-61.970.4160.600000112.5
47A45.7Very low45.9Very low76 Ų76123.5 Ų123.563%0.62869%0.692SS**  trans-139.224.1176.400000112.1P45P45-A47 HydrophobicContact CG-CB 4.13Å; P45-A47 PolarHBondContact O-N 2.93Å
48Q45.3Very low45.3Very low180 Ų180128.1 Ų128.184%0.84171%0.71SS**  trans-117.525.5179.8-145.985.936.200113.2
49D42Very low45Very low160 Ų160126.9 Ų126.986%0.85671%0.712SS**SBendtrans-1065.7-177.7-113.91.5000115.2
50L46.3Very low44.9Very low156 Ų156125.8 Ų125.882%0.81771%0.712SS**SBendtrans-152.364.7-177.9-134.6101.1000114.7
51L43.6Very low45Very low167 Ų167125 Ų12587%0.87471%0.714SS**SBend169.2119.2128.2-111.884000111.4
52G39.6Very low45.1Very low67 Ų67123.1 Ų123.169%0.69171%0.708SS**  trans82.496.2130.900000117.4
53S57Low45.4Very low114 Ų114116.8 Ų116.880%0.79769%0.688SS**  trans-17.9129.4145.357.80000115.1
54I42.2Very low45.9Very low152 Ų152113.3 Ų113.378%0.77967%0.667SS**  -164.8132.1122.1-66.8-149000108
55N36.3Very low47.2Very low148 Ų148113.1 Ų113.179%0.79165%0.654SS**  trans64.9108.1168.1-74.6-16.2000119.4S57N55-S57 PolarHBondContact O-N 3.11Å
56R43.6Very low48Very low237 Ų237109.2 Ų109.289%0.89463%0.629SS**  trans-69.882.7168.2-164.9-178.3-169.2106.9-0.5110.3
57S38.5Very low48.9Very low103 Ų103105 Ų10572%0.7259%0.585SS**  trans-85.6119.7153.348.90000107.3N55N55-S57 PolarHBondContact O-N 3.11Å
58Q39.1Very low49.8Very low144 Ų144103 Ų10367%0.67356%0.564SS**  trans-47.7132.5169.7-68.3-77.5-1900108.8E60Q58-E60 PolarHBondContact O-N 3.42Å
59P41.9Very low50.8Low89 Ų89100.1 Ų100.158%0.57855%0.546SS*.  trans-62.1106.9167.524.3-28.9000107
60E45.1Very low52Low106 Ų10699.1 Ų99.150%0.49553%0.53SS..  trans-65.4127177.3-94.9162.3161.500108.3Q58 L62 Q75Q58-E60 PolarHBondContact O-N 3.42Å; E60-L62 PolarHBondContact O-N 3.45Å; E60-Q75 VanDerWaalsContact CD-NE2 3.34Å; E60-Q75 VanDerWaalsContact CD-OE1 3.27Å; E60-Q75 PolarHBondContact OE1-NE2 3.44Å; E60-Q75 PolarHBondContact OE1-OE1 3.37Å; E60-Q75 VanDerWaalsContact OE1-OE1 3.12Å
61P47.6Very low53.1Low101 Ų10193.2 Ų93.266%0.65650%0.5SS*.  trans-59.911117723.9-31.2000107.4S63P61-S63 PolarHBondContact O-N 3Å
62L51.7Low54.2Low89 Ų8986.3 Ų86.347%0.46647%0.466SS..  trans-7350.4174-70.4118.1000110E60 S64E60-L62 PolarHBondContact O-N 3.45Å; L62-S64 PolarHBondContact O-N 2.96Å
63S57.4Low55.6Low24 Ų2490.1 Ų90.117%0.16846%0.459CS..  trans-60.4116.5169.1-170.30000107P61 V74P61-S63 PolarHBondContact O-N 3Å; S63-V74 WeakPolarHBondContact O-CG2 3.45Å; S63-V74 PolarHBondContact O-N 2.89Å
64S62.3Low56Low17 Ų1789.5 Ų89.512%0.11945%0.45CS..EExtended strand (participates in β ladder)trans-119127.3178.661.50000108.5I35 L62 C72I35-S64 PolarHBondContact N-O 3.41Å; L62-S64 PolarHBondContact O-N 2.96Å; S64-C72 WeakPolarHBondContact CA-O 3.45Å
65H68.3Low56.9Low43 Ų4388.5 Ų88.520%0.19944%0.442CS..EExtended strand (participates in β ladder)trans-103.5121.7174.9-60.3-62.4000107.3D30 F31 C72D30-H65 CarbonylContact O-C 3.59Å; F31-H65 HydrophobicContact CD1-CB 3.85Å; F31-H65 AromaticContact CD1-CG 3.64Å; F31-H65 AromaticContact CD1-ND1 3.71Å; F31-H65 HydrophobicContact CE1-CB 4.01Å; F31-H65 AromaticContact CE1-CD2 3.69Å; F31-H65 AromaticContact CE1-CG 3.61Å; F31-H65 AromaticContact CE1-ND1 3.96Å; H65-C72 PolarHBondContact N-O 3.44Å; H65-C72 PolarHBondContact O-N 3.47Å
66S66.3Low58.2Low23 Ų2383.8 Ų83.816%0.16142%0.421CS..EExtended strand (participates in β ladder)trans-110.9121.8-179.7-610000109.7D30 W32 Y33 T71D30-S66 CarbonylContact O-C 3.49Å; D30-S66 PolarHBondContact O-N 2.94Å; W32-S66 WeakPolarHBondContact CB-O 3.42Å; W32-S66 PolarHBondContact N-O 3.31Å; Y33-S66 PolarHBondContact N-O 2.91Å; Y33-S66 VanDerWaalsContact N-O 3.08Å; Y33-S66 PolarHBondContact O-N 3.05Å; S66-T71 PolarHBondContact OG-OG1 2.69Å
67G67.6Low59.3Low8 Ų878 Ų788%0.08241%0.414CS..  trans-88.3179.3165.500000112.2D30 W69 R70D30-G67 VanDerWaalsContact CA-CA 3.44Å; D30-G67 PolarHBondContact O-N 2.98Å; D30-G67 VanDerWaalsContact O-N 3.11Å; G67-W69 VanDerWaalsContact C-N 3.27Å; G67-W69 PolarHBondContact O-N 2.68Å; G67-R70 WeakPolarHBondContact CA-O 3.47Å; G67-R70 PolarHBondContact N-O 3.05Å
68L64.8Low60.7Low36 Ų3676.3 Ų76.319%0.18840%0.401CS..SBendtrans-67.7-30.1174.7-171.163.2000112.3I27 I108 Y111I27-L68 HydrophobicContact CG2-CD2 4.29Å; L68-I108 HydrophobicContact CD2-CG1 4.31Å; L68-I108 HydrophobicContact CD2-CG2 4.2Å; L68-Y111 HydrophobicContact CD1-CE1 4.23Å
69W66.2Low61.9Low119 Ų11973.3 Ų73.345%0.45139%0.393SS..SBendtrans-115-20.3-170.5-51.7104.8000113.9I27 G67 L81 I108I27-W69 HydrophobicContact CG2-CZ2 4.3Å; I27-W69 VanDerWaalsContact O-CD1 3.29Å; I27-W69 PolarHBondContact O-NE1 3.08Å; G67-W69 VanDerWaalsContact C-N 3.27Å; G67-W69 PolarHBondContact O-N 2.68Å; W69-L81 PolarHBondContact O-N 3.3Å; W69-I108 HydrophobicContact CH2-CD1 3.64Å; W69-I108 HydrophobicContact CH2-CG1 4.3Å; W69-I108 HydrophobicContact CZ2-CD1 3.53Å; W69-I108 HydrophobicContact CZ2-CG1 4.31Å
70R66.4Low62.9Low138 Ų13872.1 Ų72.152%0.52139%0.385SS..EExtended strand (participates in β ladder)trans-147.1148.7-174-58-177.4179.2148.61.5109.6G67 T79G67-R70 WeakPolarHBondContact CA-O 3.47Å; G67-R70 PolarHBondContact N-O 3.05Å; R70-T79 WeakPolarHBondContact CA-O 3.48Å
71T68.8Low63.6Low32 Ų3272.4 Ų72.420%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-114.7129.2167.9-176.20000108.3S66 C78 T79S66-T71 PolarHBondContact OG-OG1 2.69Å; T71-C78 CarbonylContact O-C 3.05Å; T71-C78 VanDerWaalsContact O-CA 3.26Å; T71-C78 WeakPolarHBondContact O-CA 3.36Å; T71-T79 WeakPolarHBondContact CG2-OG1 3.39Å; T71-T79 PolarHBondContact N-O 2.65Å; T71-T79 PolarHBondContact O-N 2.84Å
72C68.2Low63.7Low22 Ų2275.4 Ų75.415%0.14940%0.397CS..EExtended strand (participates in β ladder)trans-113130.6-179-64.70000108.8S64 H65 C78S64-C72 WeakPolarHBondContact CA-O 3.45Å; H65-C72 PolarHBondContact N-O 3.44Å; H65-C72 PolarHBondContact O-N 3.47Å; C72-C78 HydrophobicContact CB-CB 4.06Å; C72-C78 WeakPolarHBondContact CB-SG 3.42Å; C72-C78 WeakPolarHBondContact SG-CB 3.36Å; C72-C78 CovalentContact SG-SG 2.03Å; C72-C78 PolarHBondContact SG-SG 3.23Å
73R67.7Low63.5Low147 Ų14774.8 Ų74.856%0.55539%0.394SS*.EExtended strand (participates in β ladder)trans-103.4143.6170.8-76.4-177.9175.1-177.9-1.8108.4Q75 S76R73-Q75 PolarHBondContact O-N 2.92Å; R73-Q75 VanDerWaalsContact O-N 3.15Å; R73-S76 WeakPolarHBondContact CB-OG 3.49Å; R73-S76 VanDerWaalsContact CD-OG 3.31Å; R73-S76 WeakPolarHBondContact CD-OG 3.2Å; R73-S76 PolarHBondContact O-N 2.91Å
74V65.9Low63.2Low101 Ų10178 Ų7861%0.61241%0.414SS*.THydrogen-bonded Turntrans-55.3-36.3-179172.50000112.5S63S63-V74 WeakPolarHBondContact O-CG2 3.45Å; S63-V74 PolarHBondContact O-N 2.89Å
75Q60.7Low62.6Low132 Ų13283.5 Ų83.562%0.61744%0.436SS*.THydrogen-bonded Turntrans-98.6-8.4-176.7-149.690.411.800115.1E60 R73E60-Q75 VanDerWaalsContact CD-NE2 3.34Å; E60-Q75 VanDerWaalsContact CD-OE1 3.27Å; E60-Q75 PolarHBondContact OE1-NE2 3.44Å; E60-Q75 PolarHBondContact OE1-OE1 3.37Å; E60-Q75 VanDerWaalsContact OE1-OE1 3.12Å; R73-Q75 PolarHBondContact O-N 2.92Å; R73-Q75 VanDerWaalsContact O-N 3.15Å
76S63.8Low61.7Low49 Ų4989.9 Ų89.934%0.34346%0.459SS..EExtended strand (participates in β ladder)trans-136.9151.5-171.434.80000113.1R73R73-S76 WeakPolarHBondContact CB-OG 3.49Å; R73-S76 VanDerWaalsContact CD-OG 3.31Å; R73-S76 WeakPolarHBondContact CD-OG 3.2Å; R73-S76 PolarHBondContact O-N 2.91Å
77P67.2Low61Low116 Ų11694.8 Ų94.875%0.75348%0.482SS*.EExtended strand (participates in β ladder)trans-60.4141.7-17724.2-33.8000111.4T79P77-T79 PolarHBondContact O-N 3.35Å
78C68.7Low60.4Low66 Ų66102.5 Ų102.545%0.44652%0.516SS..EExtended strand (participates in β ladder)trans-58.2125.9-180-56.20000111.3T71 C72T71-C78 CarbonylContact O-C 3.05Å; T71-C78 VanDerWaalsContact O-CA 3.26Å; T71-C78 WeakPolarHBondContact O-CA 3.36Å; C72-C78 HydrophobicContact CB-CB 4.06Å; C72-C78 WeakPolarHBondContact CB-SG 3.42Å; C72-C78 WeakPolarHBondContact SG-CB 3.36Å; C72-C78 CovalentContact SG-SG 2.03Å; C72-C78 PolarHBondContact SG-SG 3.23Å
79T64.4Low59.9Low81 Ų81108 Ų10850%0.49755%0.546SS..EExtended strand (participates in β ladder)trans-96.3132.7176.953.10000109.7R70 T71 P77 L81R70-T79 WeakPolarHBondContact CA-O 3.48Å; T71-T79 WeakPolarHBondContact CG2-OG1 3.39Å; T71-T79 PolarHBondContact N-O 2.65Å; T71-T79 PolarHBondContact O-N 2.84Å; P77-T79 PolarHBondContact O-N 3.35Å; T79-L81 PolarHBondContact O-N 3.36Å
80P61.9Low59.5Low64 Ų64106.9 Ų106.942%0.41655%0.552SS.*EExtended strand (participates in β ladder)trans-65.3135.8173.827.3-32.3000109.6M82P80-M82 PolarHBondContact O-N 2.89Å
81L60.7Low59.2Low112 Ų112107.4 Ų107.459%0.58657%0.571SS**SBendtrans-70.498.3171.5-155.274.5000106.3W69 T79 N83W69-L81 PolarHBondContact O-N 3.3Å; T79-L81 PolarHBondContact O-N 3.36Å; L81-N83 PolarHBondContact O-N 3.33Å
82M48.6Very low58.9Low165 Ų165108.7 Ų108.781%0.81358%0.578SS**  trans14.3100.6-179.6-124.9-67.5145.700115P80 P84P80-M82 PolarHBondContact O-N 2.89Å; M82-P84 WeakPolarHBondContact O-CD 3.43Å
83N48.9Very low58.9Low75 Ų75111 Ų11140%0.40160%0.595SS.*  trans-89.799.4169.3-178.7-2.8000109.2L81 F85 R86L81-N83 PolarHBondContact O-N 3.33Å; N83-F85 PolarHBondContact O-N 2.96Å; N83-F85 WeakPolarHBondContact OD1-CA 3.35Å; N83-F85 VanDerWaalsContact OD1-CB 3.25Å; N83-F85 WeakPolarHBondContact OD1-CB 3.21Å; N83-F85 WeakPolarHBondContact OD1-CD2 3.36Å; N83-F85 PolarHBondContact OD1-N 3.17Å; N83-R86 HydrophobicContact CB-CB 4.23Å; N83-R86 PolarHBondContact O-N 3.41Å; N83-R86 VanDerWaalsContact O-N 3.11Å; N83-R86 PolarHBondContact OD1-N 3.39Å
84P49.4Very low58.7Low92 Ų92110.2 Ų110.260%0.59760%0.597SS**THydrogen-bonded Turntrans-63.8-11.1177.525.8-34000113.3M82M82-P84 WeakPolarHBondContact O-CD 3.43Å
85F50.8Low58.7Low132 Ų132108.6 Ų108.658%0.57959%0.59SS**THydrogen-bonded Turntrans-96.7-2.3178.3-49.7-73.8000114N83 L87 L100N83-F85 PolarHBondContact O-N 2.96Å; N83-F85 WeakPolarHBondContact OD1-CA 3.35Å; N83-F85 VanDerWaalsContact OD1-CB 3.25Å; N83-F85 WeakPolarHBondContact OD1-CB 3.21Å; N83-F85 WeakPolarHBondContact OD1-CD2 3.36Å; N83-F85 PolarHBondContact OD1-N 3.17Å; F85-L87 PolarHBondContact O-N 3.48Å; F85-L100 HydrophobicContact CD1-CD2 4.35Å; F85-L100 HydrophobicContact CD2-CD2 4.38Å; F85-L100 HydrophobicContact CE1-CD2 3.66Å; F85-L100 HydrophobicContact CE2-CD2 3.69Å; F85-L100 HydrophobicContact CZ-CD2 3.29Å
86R49.3Very low58.6Low178 Ų178104.6 Ų104.667%0.67258%0.577SS**  trans-81.346.6167.5-157.1-173.1-94-174.2-7.3109.9N83N83-R86 HydrophobicContact CB-CB 4.23Å; N83-R86 PolarHBondContact O-N 3.41Å; N83-R86 VanDerWaalsContact O-N 3.11Å; N83-R86 PolarHBondContact OD1-N 3.39Å
87L52Low58.4Low125 Ų125109.3 Ų109.365%0.65459%0.588SS**  trans-88.3107.1164.6-150.677.5000104.7F85 N89 V90F85-L87 PolarHBondContact O-N 3.48Å; L87-N89 PolarHBondContact O-N 3.34Å; L87-V90 HydrophobicContact CD2-CG2 4.05Å
88E54.4Low58.1Low170 Ų170109.9 Ų109.979%0.79458%0.58SS**THydrogen-bonded Turntrans-52.1-9.4-166.1-133.691.2-155.400115.9
89N53.8Low57.8Low153 Ų153112.4 Ų112.482%0.81859%0.589SS**THydrogen-bonded Turntrans-138.439.6-164.5-69.2-25.6000115.1L87L87-N89 PolarHBondContact O-N 3.34Å
90V58.3Low57.7Low94 Ų94111.3 Ų111.357%0.5758%0.58SS**  trans-122.9111169.7-164.80000110.6L87 V92L87-V90 HydrophobicContact CD2-CG2 4.05Å; V90-V92 VanDerWaalsContact C-N 3.3Å; V90-V92 HydrophobicContact CB-CG2 4.47Å; V90-V92 HydrophobicContact CG1-CG2 4.3Å; V90-V92 PolarHBondContact O-N 3.47Å
91T60.5Low57.7Low149 Ų149112.2 Ų112.291%0.91458%0.584SS**  trans-67.988.7168.746.30000109.1S93T91-S93 PolarHBondContact O-N 2.94Å
92V62.7Low57.6Low59 Ų59113.4 Ų113.436%0.35859%0.588SS.*  trans-75.9120.7175.7-178.60000108.8V90 R97V90-V92 VanDerWaalsContact C-N 3.3Å; V90-V92 HydrophobicContact CB-CG2 4.47Å; V90-V92 HydrophobicContact CG1-CG2 4.3Å; V90-V92 PolarHBondContact O-N 3.47Å; V92-R97 HydrophobicContact CG1-CG 3.92Å
93S66.7Low58.3Low71 Ų71110.1 Ų110.150%0.49758%0.577SS.*  trans-59.6145.9175.8-174.60000111.5T91 S95 S96 R97T91-S93 PolarHBondContact O-N 2.94Å; S93-S95 PolarHBondContact O-N 3.49Å; S93-S95 VanDerWaalsContact O-N 3.14Å; S93-S95 PolarHBondContact OG-OG 2.9Å; S93-S96 WeakPolarHBondContact O-CA 3.47Å; S93-S96 WeakPolarHBondContact O-CB 3.22Å; S93-S96 PolarHBondContact O-N 3.41Å; S93-R97 PolarHBondContact O-N 3.07Å
94E63.3Low58.9Low130 Ų130109.3 Ų109.361%0.60758%0.575SS**Hα-helixtrans-53.2-34.3178.7-76.9-63.8134.500113R97 Q98E94-R97 WeakPolarHBondContact O-CB 3.47Å; E94-R97 PolarHBondContact O-N 3.32Å; E94-Q98 PolarHBondContact O-N 2.98Å
95S67.3Low59.5Low67 Ų67110.8 Ų110.847%0.46958%0.577SS.*Hα-helixtrans-66.2-37.9175.556.80000112.8S93 Q98 L99S93-S95 PolarHBondContact O-N 3.49Å; S93-S95 VanDerWaalsContact O-N 3.14Å; S93-S95 PolarHBondContact OG-OG 2.9Å; S95-Q98 PolarHBondContact O-N 2.89Å; S95-L99 PolarHBondContact O-N 3.01Å; S95-L99 VanDerWaalsContact O-N 3.08Å
96S58.4Low60.2Low49 Ų49106.9 Ų106.934%0.34357%0.57SS.*Hα-helixtrans-69.3-37.9175.4-51.80000110.7S93 L99 L100S93-S96 WeakPolarHBondContact O-CA 3.47Å; S93-S96 WeakPolarHBondContact O-CB 3.22Å; S93-S96 PolarHBondContact O-N 3.41Å; S96-L99 PolarHBondContact O-N 2.86Å; S96-L100 WeakPolarHBondContact O-CB 3.4Å; S96-L100 VanDerWaalsContact O-CD1 3.24Å; S96-L100 WeakPolarHBondContact O-CD1 3.33Å; S96-L100 PolarHBondContact O-N 3.42Å
97R60.1Low60.9Low148 Ų148100.4 Ų100.456%0.55856%0.558SS**Hα-helixtrans-60.9-45173.8-70.6178.4160.3-124.9-5.7112V92 S93 E94 L100 T101V92-R97 HydrophobicContact CG1-CG 3.92Å; S93-R97 PolarHBondContact O-N 3.07Å; E94-R97 WeakPolarHBondContact O-CB 3.47Å; E94-R97 PolarHBondContact O-N 3.32Å; R97-L100 PolarHBondContact O-N 3.28Å; R97-T101 PolarHBondContact O-N 3.35Å; R97-T101 PolarHBondContact O-OG1 2.96Å
98Q59.6Low61.4Low127 Ų12795.5 Ų95.559%0.59353%0.532SS*.Hα-helixtrans-64-44.7178.2-76.6178.1-20.900112.4E94 S95 L100 T101 M102E94-Q98 PolarHBondContact O-N 2.98Å; S95-Q98 PolarHBondContact O-N 2.89Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-L100 PolarHBondContact O-N 3.41Å; Q98-T101 VanDerWaalsContact CA-OG1 3.25Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.43Å; Q98-T101 PolarHBondContact O-N 3.32Å; Q98-T101 PolarHBondContact O-OG1 2.94Å; Q98-M102 WeakPolarHBondContact O-CB 3.47Å; Q98-M102 VanDerWaalsContact O-CG 3.28Å; Q98-M102 WeakPolarHBondContact O-CG 3.37Å; Q98-M102 PolarHBondContact O-N 2.98Å
99L63.7Low61.8Low119 Ų11990.7 Ų90.762%0.62352%0.517SS*.Hα-helixtrans-61-43.4173.9-97.4165000111.7S95 S96 M102 V103S95-L99 PolarHBondContact O-N 3.01Å; S95-L99 VanDerWaalsContact O-N 3.08Å; S96-L99 PolarHBondContact O-N 2.86Å; L99-M102 PolarHBondContact O-N 3.33Å; L99-V103 WeakPolarHBondContact O-CB 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.22Å; L99-V103 PolarHBondContact O-N 3.2Å
100L61.7Low62.5Low59 Ų5988.1 Ų88.131%0.30951%0.507SS..Hα-helixtrans-61.1-47.5174.8-97128.8000111.5F85 S96 R97 Q98 M102 V103 T104F85-L100 HydrophobicContact CD1-CD2 4.35Å; F85-L100 HydrophobicContact CD2-CD2 4.38Å; F85-L100 HydrophobicContact CE1-CD2 3.66Å; F85-L100 HydrophobicContact CE2-CD2 3.69Å; F85-L100 HydrophobicContact CZ-CD2 3.29Å; S96-L100 WeakPolarHBondContact O-CB 3.4Å; S96-L100 VanDerWaalsContact O-CD1 3.24Å; S96-L100 WeakPolarHBondContact O-CD1 3.33Å; S96-L100 PolarHBondContact O-N 3.42Å; R97-L100 PolarHBondContact O-N 3.28Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-L100 PolarHBondContact O-N 3.41Å; L100-M102 VanDerWaalsContact C-N 3.32Å; L100-M102 PolarHBondContact O-N 3.4Å; L100-V103 PolarHBondContact O-N 3.33Å; L100-T104 WeakPolarHBondContact O-CB 3.28Å; L100-T104 WeakPolarHBondContact O-CG2 3.46Å; L100-T104 PolarHBondContact O-N 2.9Å; L100-T104 PolarHBondContact O-OG1 3.4Å
101T60.6Low62.5Low83 Ų8388.5 Ų88.551%0.50950%0.499SS..Hα-helixtrans-59.4-43.7176.536.40000111.8R97 Q98 T104 L105R97-T101 PolarHBondContact O-N 3.35Å; R97-T101 PolarHBondContact O-OG1 2.96Å; Q98-T101 VanDerWaalsContact CA-OG1 3.25Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.43Å; Q98-T101 PolarHBondContact O-N 3.32Å; Q98-T101 PolarHBondContact O-OG1 2.94Å; T101-T104 VanDerWaalsContact CA-OG1 3.3Å; T101-T104 WeakPolarHBondContact CA-OG1 3.49Å; T101-T104 PolarHBondContact O-N 3.49Å; T101-T104 PolarHBondContact O-OG1 3.22Å; T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.4Å; T101-L105 PolarHBondContact O-N 3.47Å
102M58.8Low62.6Low136 Ų13683.3 Ų83.367%0.6747%0.465SS*.Hα-helixtrans-65.1-44.4178.7-71.7-73.8-76.200112.1Q98 L99 L100 L105 A106Q98-M102 WeakPolarHBondContact O-CB 3.47Å; Q98-M102 VanDerWaalsContact O-CG 3.28Å; Q98-M102 WeakPolarHBondContact O-CG 3.37Å; Q98-M102 PolarHBondContact O-N 2.98Å; L99-M102 PolarHBondContact O-N 3.33Å; L100-M102 VanDerWaalsContact C-N 3.32Å; L100-M102 PolarHBondContact O-N 3.4Å; M102-L105 PolarHBondContact O-N 2.7Å; M102-A106 VanDerWaalsContact O-CB 3.27Å; M102-A106 WeakPolarHBondContact O-CB 3.27Å; M102-A106 PolarHBondContact O-N 3.48Å
103V64Low62.6Low97 Ų9783 Ų8359%0.58847%0.469SS*.Hα-helixtrans-68.4-37177.7172.10000111L99 L100 G107L99-V103 WeakPolarHBondContact O-CB 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.22Å; L99-V103 PolarHBondContact O-N 3.2Å; L100-V103 PolarHBondContact O-N 3.33Å; V103-G107 WeakPolarHBondContact O-CA 3.49Å; V103-G107 PolarHBondContact O-N 3.26Å
104T62.6Low62.5Low57 Ų5787.4 Ų87.435%0.3548%0.476SS..Hα-helixtrans-68.5-40.7173.557.70000111L100 T101 G107 I108L100-T104 WeakPolarHBondContact O-CB 3.28Å; L100-T104 WeakPolarHBondContact O-CG2 3.46Å; L100-T104 PolarHBondContact O-N 2.9Å; L100-T104 PolarHBondContact O-OG1 3.4Å; T101-T104 VanDerWaalsContact CA-OG1 3.3Å; T101-T104 WeakPolarHBondContact CA-OG1 3.49Å; T101-T104 PolarHBondContact O-N 3.49Å; T101-T104 PolarHBondContact O-OG1 3.22Å; T104-G107 PolarHBondContact O-N 2.75Å; T104-I108 VanDerWaalsContact O-CB 3.32Å; T104-I108 WeakPolarHBondContact O-CB 3.06Å; T104-I108 WeakPolarHBondContact O-CD1 3.3Å; T104-I108 WeakPolarHBondContact O-CG1 3.26Å; T104-I108 PolarHBondContact O-N 2.91Å
105L60.3Low62.3Low123 Ų12382.7 Ų82.764%0.64446%0.457SS*.Hα-helixtrans-67.1-41.6179.1-144.1107.1000111.2T101 M102 I108 S109T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.4Å; T101-L105 PolarHBondContact O-N 3.47Å; M102-L105 PolarHBondContact O-N 2.7Å; L105-I108 PolarHBondContact O-N 3.09Å; L105-S109 WeakPolarHBondContact O-CB 3.47Å; L105-S109 PolarHBondContact O-N 3.12Å; L105-S109 PolarHBondContact O-OG 3.07Å
106A65.3Low61.9Low51 Ų5180.8 Ų80.842%0.42145%0.446SS..Hα-helixtrans-67.3-39.2173.200000112M102 S109 V110M102-A106 VanDerWaalsContact O-CB 3.27Å; M102-A106 WeakPolarHBondContact O-CB 3.27Å; M102-A106 PolarHBondContact O-N 3.48Å; A106-S109 WeakPolarHBondContact CA-OG 3.25Å; A106-S109 PolarHBondContact O-N 2.88Å; A106-S109 PolarHBondContact O-OG 3.31Å; A106-V110 WeakPolarHBondContact O-CB 3.5Å; A106-V110 WeakPolarHBondContact O-CG2 3.28Å; A106-V110 PolarHBondContact O-N 2.96Å
107G64.2Low62.1Low41 Ų4181 Ų8142%0.42345%0.45SS..Hα-helixtrans-65.2-40.8175.200000112.1V103 T104 Y111V103-G107 WeakPolarHBondContact O-CA 3.49Å; V103-G107 PolarHBondContact O-N 3.26Å; T104-G107 PolarHBondContact O-N 2.75Å; G107-Y111 WeakPolarHBondContact O-CB 3.35Å; G107-Y111 PolarHBondContact O-N 2.79Å
108I63.3Low61.9Low23 Ų2375.7 Ų75.712%0.11844%0.438CS..Hα-helixtrans-67.6-42.5175.3-65.7155.7000110.2I27 L68 W69 T104 L105 Y111 I112I27-I108 HydrophobicContact CD1-CG2 4.41Å; L68-I108 HydrophobicContact CD2-CG1 4.31Å; L68-I108 HydrophobicContact CD2-CG2 4.2Å; W69-I108 HydrophobicContact CH2-CD1 3.64Å; W69-I108 HydrophobicContact CH2-CG1 4.3Å; W69-I108 HydrophobicContact CZ2-CD1 3.53Å; W69-I108 HydrophobicContact CZ2-CG1 4.31Å; T104-I108 VanDerWaalsContact O-CB 3.32Å; T104-I108 WeakPolarHBondContact O-CB 3.06Å; T104-I108 WeakPolarHBondContact O-CD1 3.3Å; T104-I108 WeakPolarHBondContact O-CG1 3.26Å; T104-I108 PolarHBondContact O-N 2.91Å; L105-I108 PolarHBondContact O-N 3.09Å; I108-Y111 PolarHBondContact O-N 2.91Å; I108-I112 HydrophobicContact CG2-CD1 3.69Å; I108-I112 HydrophobicContact CG2-CG1 4.28Å; I108-I112 WeakPolarHBondContact O-CB 3.02Å; I108-I112 WeakPolarHBondContact O-CG1 3.01Å; I108-I112 PolarHBondContact O-N 3.32Å
109S62.3Low61.9Low69 Ų6973.1 Ų73.148%0.48343%0.425SS..Hα-helixtrans-66.8-40.2178.569.10000112.1L105 A106 I112 A113L105-S109 WeakPolarHBondContact O-CB 3.47Å; L105-S109 PolarHBondContact O-N 3.12Å; L105-S109 PolarHBondContact O-OG 3.07Å; A106-S109 WeakPolarHBondContact CA-OG 3.25Å; A106-S109 PolarHBondContact O-N 2.88Å; A106-S109 PolarHBondContact O-OG 3.31Å; S109-I112 PolarHBondContact O-N 3.5Å; S109-A113 WeakPolarHBondContact O-CB 3.31Å; S109-A113 PolarHBondContact O-N 3.02Å
110V68.8Low61.7Low98 Ų9876.4 Ų76.459%0.59443%0.429SS*.Hα-helixtrans-65.2-41.7172.3171.30000110.9A106 A113 Y114A106-V110 WeakPolarHBondContact O-CB 3.5Å; A106-V110 WeakPolarHBondContact O-CG2 3.28Å; A106-V110 PolarHBondContact O-N 2.96Å; V110-A113 PolarHBondContact O-N 3.32Å; V110-Y114 WeakPolarHBondContact O-CB 3.32Å; V110-Y114 PolarHBondContact O-N 3.24Å
111Y58.1Low61.6Low102 Ų10280.2 Ų80.240%0.445%0.445SS..Hα-helixtrans-61.7-46.3175.9179.5-100.9000111.3L68 G107 I108 A113 Y114 S115L68-Y111 HydrophobicContact CD1-CE1 4.23Å; G107-Y111 WeakPolarHBondContact O-CB 3.35Å; G107-Y111 PolarHBondContact O-N 2.79Å; I108-Y111 PolarHBondContact O-N 2.91Å; Y111-A113 PolarHBondContact O-N 3.48Å; Y111-Y114 PolarHBondContact O-N 2.84Å; Y111-S115 WeakPolarHBondContact O-CB 3.45Å; Y111-S115 PolarHBondContact O-N 3.29Å; Y111-S115 PolarHBondContact O-OG 2.03Å
112I62.4Low61.3Low40 Ų4077.8 Ų77.821%0.20543%0.434CS..Hα-helixtrans-61.4-45176.5-69.5168.9000110.8W32 I108 S109 A116W32-I112 HydrophobicContact CH2-CD1 4.28Å; W32-I112 HydrophobicContact CH2-CG1 4.04Å; I108-I112 HydrophobicContact CG2-CD1 3.69Å; I108-I112 HydrophobicContact CG2-CG1 4.28Å; I108-I112 WeakPolarHBondContact O-CB 3.02Å; I108-I112 WeakPolarHBondContact O-CG1 3.01Å; I108-I112 PolarHBondContact O-N 3.32Å; S109-I112 PolarHBondContact O-N 3.5Å; I112-A116 VanDerWaalsContact O-CB 3.23Å; I112-A116 WeakPolarHBondContact O-CB 3.14Å; I112-A116 PolarHBondContact O-N 2.94Å
113A62.9Low61.1Low54 Ų5475.7 Ų75.745%0.44643%0.425SS..Hα-helixtrans-65.9-40.5178.700000112.4S109 V110 Y111 A117S109-A113 WeakPolarHBondContact O-CB 3.31Å; S109-A113 PolarHBondContact O-N 3.02Å; V110-A113 PolarHBondContact O-N 3.32Å; Y111-A113 PolarHBondContact O-N 3.48Å; A113-A117 PolarHBondContact O-N 2.96Å
114Y64.5Low60.8Low163 Ų16375.1 Ų75.164%0.63942%0.424SS*.Hα-helixtrans-69.5-46.4176.9-179.5-100.1000111.5V110 Y111 A116 A117 A118V110-Y114 WeakPolarHBondContact O-CB 3.32Å; V110-Y114 PolarHBondContact O-N 3.24Å; Y111-Y114 PolarHBondContact O-N 2.84Å; Y114-A116 VanDerWaalsContact C-N 3.28Å; Y114-A116 PolarHBondContact O-N 2.93Å; Y114-A117 PolarHBondContact O-N 3.39Å; Y114-A117 VanDerWaalsContact O-N 3.15Å; Y114-A118 HydrophobicContact CE1-CB 4.35Å; Y114-A118 VanDerWaalsContact O-CB 3.26Å; Y114-A118 WeakPolarHBondContact O-CB 3.27Å; Y114-A118 PolarHBondContact O-N 2.8Å
115S59.9Low60.4Low30 Ų3078 Ų7821%0.2144%0.437CS..Hα-helixtrans-59.8-38.4174.6-68.90000111.4Y111 F119Y111-S115 WeakPolarHBondContact O-CB 3.45Å; Y111-S115 PolarHBondContact O-N 3.29Å; Y111-S115 PolarHBondContact O-OG 2.03Å; S115-F119 WeakPolarHBondContact O-CA 3.39Å; S115-F119 WeakPolarHBondContact O-CB 3.19Å; S115-F119 PolarHBondContact O-N 3.33Å
116A58.6Low59.9Low28 Ų2876.1 Ų76.123%0.23143%0.427CS..Hα-helixtrans-62.5-44.6172.800000112.9I112 Y114 R120 W147I112-A116 VanDerWaalsContact O-CB 3.23Å; I112-A116 WeakPolarHBondContact O-CB 3.14Å; I112-A116 PolarHBondContact O-N 2.94Å; Y114-A116 VanDerWaalsContact C-N 3.28Å; Y114-A116 PolarHBondContact O-N 2.93Å; A116-R120 WeakPolarHBondContact O-CB 3.46Å; A116-R120 PolarHBondContact O-N 2.82Å; A116-W147 HydrophobicContact CB-CZ3 3.74Å
117A61.7Low59.2Low53 Ų5381.9 Ų81.944%0.43845%0.445SS..Hα-helixtrans-67.9-48.2178.400000111.8A113 Y114 F119 R120 E121A113-A117 PolarHBondContact O-N 2.96Å; Y114-A117 PolarHBondContact O-N 3.39Å; Y114-A117 VanDerWaalsContact O-N 3.15Å; A117-F119 VanDerWaalsContact C-N 3.29Å; A117-F119 PolarHBondContact O-N 3.38Å; A117-R120 PolarHBondContact O-N 3.15Å; A117-E121 PolarHBondContact O-N 2.91Å
118A56.8Low58.4Low37 Ų3787.7 Ų87.731%0.30646%0.462SS..Hα-helixtrans-63.9-34.6177.700000111.9Y114 A122Y114-A118 HydrophobicContact CE1-CB 4.35Å; Y114-A118 VanDerWaalsContact O-CB 3.26Å; Y114-A118 WeakPolarHBondContact O-CB 3.27Å; Y114-A118 PolarHBondContact O-N 2.8Å; A118-A122 WeakPolarHBondContact O-CB 3.23Å; A118-A122 PolarHBondContact O-N 3.45Å
119F59.9Low57.4Low72 Ų7294 Ų9432%0.31649%0.488SS..Hα-helixtrans-72.9-35.2176.3-170.9-118.2000112.4S115 A117 A122 L123 F139S115-F119 WeakPolarHBondContact O-CA 3.39Å; S115-F119 WeakPolarHBondContact O-CB 3.19Å; S115-F119 PolarHBondContact O-N 3.33Å; A117-F119 VanDerWaalsContact C-N 3.29Å; A117-F119 PolarHBondContact O-N 3.38Å; F119-A122 PolarHBondContact O-N 3.12Å; F119-L123 HydrophobicContact CD1-CD1 3.77Å; F119-L123 HydrophobicContact CD1-CG 4.25Å; F119-L123 HydrophobicContact CE1-CD1 3.45Å; F119-L123 VanDerWaalsContact CE1-CD1 3.45Å; F119-L123 HydrophobicContact CE1-CD2 4.31Å; F119-L123 HydrophobicContact CE1-CG 3.93Å; F119-L123 HydrophobicContact CE2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CG 4.13Å; F119-L123 HydrophobicContact CG-CD1 4.49Å; F119-L123 HydrophobicContact CZ-CD1 3.87Å; F119-L123 HydrophobicContact CZ-CD2 3.86Å; F119-L123 HydrophobicContact CZ-CG 3.86Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 VanDerWaalsContact O-CG 3.28Å; F119-L123 WeakPolarHBondContact O-CG 3.28Å; F119-L123 PolarHBondContact O-N 2.65Å; F119-F139 HydrophobicContact CD2-CE1 4.27Å; F119-F139 HydrophobicContact CD2-CE2 4.41Å; F119-F139 AromaticContact CD2-CZ 3.73Å; F119-F139 HydrophobicContact CD2-CZ 3.73Å; F119-F139 HydrophobicContact CE1-CE2 4.41Å; F119-F139 HydrophobicContact CE1-CZ 4.4Å; F119-F139 HydrophobicContact CE2-CD2 4.3Å; F119-F139 AromaticContact CE2-CE1 3.81Å; F119-F139 HydrophobicContact CE2-CE1 3.81Å; F119-F139 AromaticContact CE2-CE2 3.27Å; F119-F139 HydrophobicContact CE2-CE2 3.27Å; F119-F139 AromaticContact CE2-CZ 2.96Å; F119-F139 HydrophobicContact CE2-CZ 2.96Å; F119-F139 AromaticContact CZ-CD2 3.87Å; F119-F139 HydrophobicContact CZ-CD2 3.87Å; F119-F139 HydrophobicContact CZ-CE1 4.06Å; F119-F139 AromaticContact CZ-CE2 3.25Å; F119-F139 HydrophobicContact CZ-CE2 3.25Å; F119-F139 AromaticContact CZ-CZ 3.37Å; F119-F139 HydrophobicContact CZ-CZ 3.37Å
120R58.8Low56.7Low189 Ų18996 Ų9671%0.71351%0.508SS*.Hα-helixtrans-65.6-41.6173.8-169.3177.3-175.9-136.50.1111.8A116 A117 C124A116-R120 WeakPolarHBondContact O-CB 3.46Å; A116-R120 PolarHBondContact O-N 2.82Å; A117-R120 PolarHBondContact O-N 3.15Å; R120-C124 PolarHBondContact O-N 3.39Å; R120-C124 VanDerWaalsContact O-N 3.08Å
121E59.7Low55.4Low138 Ų13898 Ų9865%0.64552%0.515SS*.Hα-helixtrans-67.5-40.2173.1-75.1-178.9178.200111.7A117 C124 L125A117-E121 PolarHBondContact O-N 2.91Å; E121-C124 PolarHBondContact O-N 2.82Å; E121-L125 WeakPolarHBondContact O-CB 3.34Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 2.8Å
122A54.8Low54.7Low33 Ų3399 Ų9927%0.27353%0.527SS..Hα-helixtrans-61.9-45.1174.500000111.6A118 F119 C124 L125 L126A118-A122 WeakPolarHBondContact O-CB 3.23Å; A118-A122 PolarHBondContact O-N 3.45Å; F119-A122 PolarHBondContact O-N 3.12Å; A122-C124 PolarHBondContact O-N 3.11Å; A122-L125 CarbonylContact O-C 3.35Å; A122-L125 PolarHBondContact O-N 2.88Å; A122-L126 HydrophobicContact CB-CD1 4.08Å; A122-L126 VanDerWaalsContact O-CB 3.24Å; A122-L126 WeakPolarHBondContact O-CB 2.99Å; A122-L126 WeakPolarHBondContact O-CD1 3.39Å; A122-L126 PolarHBondContact O-N 3.5Å
123L55.3Low53.8Low91 Ų91102.9 Ų102.948%0.47655%0.548SS..Hα-helixtrans-61.4-43.6176.2-75.5172.8000112.2F119 L125 L126 E127F119-L123 HydrophobicContact CD1-CD1 3.77Å; F119-L123 HydrophobicContact CD1-CG 4.25Å; F119-L123 HydrophobicContact CE1-CD1 3.45Å; F119-L123 VanDerWaalsContact CE1-CD1 3.45Å; F119-L123 HydrophobicContact CE1-CD2 4.31Å; F119-L123 HydrophobicContact CE1-CG 3.93Å; F119-L123 HydrophobicContact CE2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CG 4.13Å; F119-L123 HydrophobicContact CG-CD1 4.49Å; F119-L123 HydrophobicContact CZ-CD1 3.87Å; F119-L123 HydrophobicContact CZ-CD2 3.86Å; F119-L123 HydrophobicContact CZ-CG 3.86Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 VanDerWaalsContact O-CG 3.28Å; F119-L123 WeakPolarHBondContact O-CG 3.28Å; F119-L123 PolarHBondContact O-N 2.65Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 3.37Å; L123-L126 PolarHBondContact O-N 2.91Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 PolarHBondContact O-N 3.29Å
124C57.3Low52.8Low86 Ų86105.9 Ų105.958%0.58155%0.553SS**Hα-helixtrans-64.2-34.9175.6-80.20000112.9R120 E121 A122R120-C124 PolarHBondContact O-N 3.39Å; R120-C124 VanDerWaalsContact O-N 3.08Å; E121-C124 PolarHBondContact O-N 2.82Å; A122-C124 PolarHBondContact O-N 3.11Å
125L53.2Low51.8Low117 Ų117103.1 Ų103.161%0.61355%0.553SS**Hα-helixtrans-80.8-27.7176.8-71.4170000113.2E121 A122 L123E121-L125 WeakPolarHBondContact O-CB 3.34Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 2.8Å; A122-L125 CarbonylContact O-C 3.35Å; A122-L125 PolarHBondContact O-N 2.88Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 3.37Å
126L50.6Low51Low84 Ų84106.4 Ų106.444%0.4457%0.568SS.*Hα-helixtrans-79.8-31.5176.9-94.2105.8000112.6A122 L123 E128 K129 L132A122-L126 HydrophobicContact CB-CD1 4.08Å; A122-L126 VanDerWaalsContact O-CB 3.24Å; A122-L126 WeakPolarHBondContact O-CB 2.99Å; A122-L126 WeakPolarHBondContact O-CD1 3.39Å; A122-L126 PolarHBondContact O-N 3.5Å; L123-L126 PolarHBondContact O-N 2.91Å; L126-E128 PolarHBondContact O-N 3.35Å; L126-K129 CarbonylContact O-C 3.56Å; L126-K129 PolarHBondContact O-N 2.77Å; L126-L132 HydrophobicContact CD2-CD2 3.75Å; L126-L132 HydrophobicContact CD2-CG 4.05Å
127E49.8Very low50.6Low172 Ų172109.5 Ų109.580%0.80458%0.58SS**Hα-helixtrans-62.8-28.1174.2-168173.4167.400111.8L123L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 PolarHBondContact O-N 3.29Å
128E47.5Very low50.3Low163 Ų163109.5 Ų109.576%0.76258%0.576SS**THydrogen-bonded Turntrans-84.2-15.6177.7-131.2-170.2-176.800113.8L126L126-E128 PolarHBondContact O-N 3.35Å
129K43.6Very low50.4Low154 Ų154112.2 Ų112.267%0.6758%0.581SS**SBendtrans-12695-176.1-65.2-163.1-179.9179.50111.5L126 L131L126-K129 CarbonylContact O-C 3.56Å; L126-K129 PolarHBondContact O-N 2.77Å; K129-L131 PolarHBondContact O-N 2.77Å
130A45.6Very low50.7Low111 Ų111108.9 Ų108.992%0.91757%0.568SS**  trans-52.273.6168.100000114.1
131L41.9Very low51.2Low140 Ų140110 Ų11073%0.73357%0.572SS**  trans-152.736.1178.5-145.6124.6000113.7K129 D133K129-L131 PolarHBondContact O-N 2.77Å; L131-D133 PolarHBondContact O-N 2.91Å; L131-D133 VanDerWaalsContact O-N 3.11Å
132L43.1Very low51.6Low123 Ų123103.7 Ų103.764%0.64454%0.543SS*.  trans-78.265.4161.3-77.7167.8000109.6L126L126-L132 HydrophobicContact CD2-CD2 3.75Å; L126-L132 HydrophobicContact CD2-CG 4.05Å
133D44.6Very low52.2Low122 Ų122104.2 Ų104.265%0.65254%0.541SS*.SBendtrans-132.510.8175.5-157.429.5000113.6L131L131-D133 PolarHBondContact O-N 2.91Å; L131-D133 VanDerWaalsContact O-N 3.11Å
134Q42Very low52.8Low118 Ų118102 Ų10255%0.55154%0.536SS*.SBendtrans-143.8-6.7-177.4-140.9161.753.400118
135V43.2Very low53.4Low104 Ų104100.8 Ų100.863%0.6352%0.524SS*.  trans-148.489.5168.1-172.20000109I137V135-I137 HydrophobicContact CG1-CD1 4.3Å; V135-I137 HydrophobicContact CG1-CG1 3.81Å; V135-I137 PolarHBondContact O-N 3.17Å
136D43.4Very low54.1Low100 Ų10095.7 Ų95.754%0.53550%0.499SS..  trans-76.291.3171.5-90.9-42.5000109.7S138D136-S138 PolarHBondContact O-N 3.06Å
137I49.8Very low55Low92 Ų9298.1 Ų98.147%0.47250%0.503SS..EExtended strand (participates in β ladder)trans-80.891.7163.6-54.6-178.8000106.5Y33 V135 F139Y33-I137 HydrophobicContact CD1-CG2 3.91Å; V135-I137 HydrophobicContact CG1-CD1 4.3Å; V135-I137 HydrophobicContact CG1-CG1 3.81Å; V135-I137 PolarHBondContact O-N 3.17Å; I137-F139 PolarHBondContact O-N 3.34Å
138S54.9Low55.9Low53 Ų5394.3 Ų94.337%0.37149%0.487SS..EExtended strand (participates in β ladder)trans-75.2121.3175.5-75.30000109.9I34 D136 G140I34-S138 PolarHBondContact N-O 2.96Å; I34-S138 PolarHBondContact O-N 3.31Å; D136-S138 PolarHBondContact O-N 3.06Å; S138-G140 PolarHBondContact O-N 2.99Å
139F59.8Low57.1Low94 Ų9486.6 Ų86.641%0.41245%0.451SS..EExtended strand (participates in β ladder)trans-72.1125.5176.4-67.3-74000110.3Y33 F119 I137 L143Y33-F139 HydrophobicContact CD1-CD1 4.41Å; Y33-F139 HydrophobicContact CD1-CE1 4.43Å; Y33-F139 HydrophobicContact CE1-CD1 4.16Å; Y33-F139 AromaticContact CE1-CE1 3.93Å; Y33-F139 HydrophobicContact CE1-CE1 3.93Å; F119-F139 HydrophobicContact CD2-CE1 4.27Å; F119-F139 HydrophobicContact CD2-CE2 4.41Å; F119-F139 AromaticContact CD2-CZ 3.73Å; F119-F139 HydrophobicContact CD2-CZ 3.73Å; F119-F139 HydrophobicContact CE1-CE2 4.41Å; F119-F139 HydrophobicContact CE1-CZ 4.4Å; F119-F139 HydrophobicContact CE2-CD2 4.3Å; F119-F139 AromaticContact CE2-CE1 3.81Å; F119-F139 HydrophobicContact CE2-CE1 3.81Å; F119-F139 AromaticContact CE2-CE2 3.27Å; F119-F139 HydrophobicContact CE2-CE2 3.27Å; F119-F139 AromaticContact CE2-CZ 2.96Å; F119-F139 HydrophobicContact CE2-CZ 2.96Å; F119-F139 AromaticContact CZ-CD2 3.87Å; F119-F139 HydrophobicContact CZ-CD2 3.87Å; F119-F139 HydrophobicContact CZ-CE1 4.06Å; F119-F139 AromaticContact CZ-CE2 3.25Å; F119-F139 HydrophobicContact CZ-CE2 3.25Å; F119-F139 AromaticContact CZ-CZ 3.37Å; F119-F139 HydrophobicContact CZ-CZ 3.37Å; I137-F139 PolarHBondContact O-N 3.34Å; F139-L143 HydrophobicContact CB-CD2 4.04Å; F139-L143 HydrophobicContact CD1-CD2 3.22Å; F139-L143 HydrophobicContact CE1-CD2 3.9Å; F139-L143 HydrophobicContact CG-CD2 3.84Å
140G65.6Low58.3Low3 Ų384 Ų843%0.03144%0.439CS..PPolyproline II helixtrans-80165179.900000113F31 W32 S138 S142 L143F31-G140 CarbonylContact O-C 3.38Å; F31-G140 VanDerWaalsContact O-CA 3.22Å; F31-G140 WeakPolarHBondContact O-CA 3.44Å; W32-G140 PolarHBondContact O-N 3.08Å; W32-G140 VanDerWaalsContact O-N 3.07Å; S138-G140 PolarHBondContact O-N 2.99Å; G140-S142 PolarHBondContact O-N 2.94Å; G140-S142 VanDerWaalsContact O-N 3.09Å; G140-L143 PolarHBondContact O-N 3.47Å; G140-L143 VanDerWaalsContact O-N 3.12Å
141W68.8Low59.5Low213 Ų21382.1 Ų82.181%0.80741%0.413SS*.Hα-helixtrans-57-27.7-177.8-61.194.7000113.5L143 A144 L145W141-L143 VanDerWaalsContact C-N 3.3Å; W141-L143 PolarHBondContact O-N 2.81Å; W141-A144 WeakPolarHBondContact O-CB 3.33Å; W141-A144 PolarHBondContact O-N 2.92Å; W141-L145 WeakPolarHBondContact O-CG 3.46Å; W141-L145 PolarHBondContact O-N 2.95Å
142S68.9Low60.9Low4 Ų476.3 Ų76.33%0.02839%0.386CS..Hα-helixtrans-63.1-36.5179.9-36.60000112.1A26 T29 F31 G140 L145 G146A26-S142 VanDerWaalsContact CB-O 3.28Å; A26-S142 WeakPolarHBondContact CB-O 3.22Å; T29-S142 VanDerWaalsContact OG1-CB 3.24Å; T29-S142 WeakPolarHBondContact OG1-CB 3.36Å; T29-S142 PolarHBondContact OG1-OG 3.43Å; F31-S142 WeakPolarHBondContact CB-OG 3.28Å; F31-S142 VanDerWaalsContact O-CB 3.27Å; F31-S142 WeakPolarHBondContact O-CB 3.45Å; F31-S142 PolarHBondContact O-N 3.3Å; F31-S142 PolarHBondContact O-OG 3.29Å; G140-S142 PolarHBondContact O-N 2.94Å; G140-S142 VanDerWaalsContact O-N 3.09Å; S142-L145 PolarHBondContact O-N 3.36Å; S142-G146 PolarHBondContact O-N 3.41Å
143L66.8Low62.6Low44 Ų4475.3 Ų75.323%0.2338%0.378CS..Hα-helixtrans-67.8-41.2176-173.372.2000110.9W32 F139 G140 W141 L145 G146 W147W32-L143 HydrophobicContact CE3-CD1 4.17Å; W32-L143 HydrophobicContact CZ3-CD1 4.04Å; F139-L143 HydrophobicContact CB-CD2 4.04Å; F139-L143 HydrophobicContact CD1-CD2 3.22Å; F139-L143 HydrophobicContact CE1-CD2 3.9Å; F139-L143 HydrophobicContact CG-CD2 3.84Å; G140-L143 PolarHBondContact O-N 3.47Å; G140-L143 VanDerWaalsContact O-N 3.12Å; W141-L143 VanDerWaalsContact C-N 3.3Å; W141-L143 PolarHBondContact O-N 2.81Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 PolarHBondContact O-N 3.47Å; L143-G146 PolarHBondContact O-N 3.21Å; L143-W147 WeakPolarHBondContact O-CB 3.25Å; L143-W147 PolarHBondContact O-N 2.93Å
144A67.4Low64Low46 Ų4675 Ų7538%0.3838%0.375SS..Hα-helixtrans-61.5-43.5175.800000111.2W141 W147 I148W141-A144 WeakPolarHBondContact O-CB 3.33Å; W141-A144 PolarHBondContact O-N 2.92Å; A144-W147 PolarHBondContact O-N 3.27Å; A144-I148 WeakPolarHBondContact O-CB 3.24Å; A144-I148 WeakPolarHBondContact O-CD1 3.31Å; A144-I148 WeakPolarHBondContact O-CG1 3.33Å; A144-I148 PolarHBondContact O-N 2.88Å
145L70.9Confident65.5Low60 Ų6074.9 Ų74.931%0.31438%0.378SS..Hα-helixtrans-63.4-41.2175.1-63.9178.9000112.1L22 A26 W141 S142 L143 I148 S149L22-L145 HydrophobicContact CD2-CD2 4.19Å; A26-L145 HydrophobicContact CB-CB 4.31Å; W141-L145 WeakPolarHBondContact O-CG 3.46Å; W141-L145 PolarHBondContact O-N 2.95Å; S142-L145 PolarHBondContact O-N 3.36Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 PolarHBondContact O-N 3.47Å; L145-I148 PolarHBondContact O-N 3.06Å; L145-S149 WeakPolarHBondContact O-CB 3.11Å; L145-S149 PolarHBondContact O-N 3.35Å; L145-S149 PolarHBondContact O-OG 3.32Å
146G67.3Low67.2Low10 Ų1070.6 Ų70.610%0.10335%0.352CS..Hα-helixtrans-60.2-45.7174.200000112.1S142 L143 S149 F150S142-G146 PolarHBondContact O-N 3.41Å; L143-G146 PolarHBondContact O-N 3.21Å; G146-S149 WeakPolarHBondContact CA-OG 3.2Å; G146-S149 PolarHBondContact O-N 3.24Å; G146-S149 PolarHBondContact O-OG 2.98Å; G146-F150 PolarHBondContact O-N 3.06Å
147W69.8Low68.7Low135 Ų13567.4 Ų67.451%0.51134%0.343SS..Hα-helixtrans-63.2-44.8177-171.3-107.2000112.8A116 L143 A144 S149 F150 I151A116-W147 HydrophobicContact CB-CZ3 3.74Å; L143-W147 WeakPolarHBondContact O-CB 3.25Å; L143-W147 PolarHBondContact O-N 2.93Å; A144-W147 PolarHBondContact O-N 3.27Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 2.9Å; W147-F150 PolarHBondContact O-N 3.15Å; W147-I151 HydrophobicContact CG-CD1 4.44Å; W147-I151 HydrophobicContact CZ2-CD1 4.39Å; W147-I151 VanDerWaalsContact NE1-CD1 3.27Å; W147-I151 PolarHBondContact O-N 3.05Å
148I68.8Low70Confident92 Ų9265.7 Ų65.747%0.47234%0.343SS..Hα-helixtrans-61.5-43176.6-68.9165.3000110.4L22 A144 L145 F150 A152L22-I148 HydrophobicContact CD1-CG2 4.21Å; A144-I148 WeakPolarHBondContact O-CB 3.24Å; A144-I148 WeakPolarHBondContact O-CD1 3.31Å; A144-I148 WeakPolarHBondContact O-CG1 3.33Å; A144-I148 PolarHBondContact O-N 2.88Å; L145-I148 PolarHBondContact O-N 3.06Å; I148-F150 PolarHBondContact O-N 3.38Å; I148-A152 VanDerWaalsContact O-CB 3.29Å; I148-A152 WeakPolarHBondContact O-CB 3.36Å; I148-A152 PolarHBondContact O-N 2.8Å
149S72.4Confident71.2Confident0 Ų065.4 Ų65.40%034%0.343CS..Hα-helixtrans-61.9-42.7176.665.80000112.6S19 L145 G146 W147 A152 E153S19-S149 WeakPolarHBondContact O-CB 3.43Å; L145-S149 WeakPolarHBondContact O-CB 3.11Å; L145-S149 PolarHBondContact O-N 3.35Å; L145-S149 PolarHBondContact O-OG 3.32Å; G146-S149 WeakPolarHBondContact CA-OG 3.2Å; G146-S149 PolarHBondContact O-N 3.24Å; G146-S149 PolarHBondContact O-OG 2.98Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 2.9Å; S149-A152 PolarHBondContact O-N 3.43Å; S149-E153 WeakPolarHBondContact O-CB 3.35Å; S149-E153 PolarHBondContact O-N 3.45Å
150F68.8Low72.2Confident99 Ų9966.1 Ų66.143%0.43435%0.347SS..Hα-helixtrans-64.7-45.1-179.4-179.7-105.1000112.1G146 W147 I148 E153 L154G146-F150 PolarHBondContact O-N 3.06Å; W147-F150 PolarHBondContact O-N 3.15Å; I148-F150 PolarHBondContact O-N 3.38Å; F150-E153 PolarHBondContact O-N 3.08Å; F150-L154 PolarHBondContact O-N 2.93Å
151I71.4Confident73.1Confident72 Ų7272 Ų7237%0.36938%0.377SS..Hα-helixtrans-62.7-44.9175.7-68.8175.8000110.5W147 E153 L154 L155W147-I151 HydrophobicContact CG-CD1 4.44Å; W147-I151 HydrophobicContact CZ2-CD1 4.39Å; W147-I151 VanDerWaalsContact NE1-CD1 3.27Å; W147-I151 PolarHBondContact O-N 3.05Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 2.9Å; I151-L154 PolarHBondContact O-N 2.86Å; I151-L155 HydrophobicContact CG2-CD1 3.83Å; I151-L155 HydrophobicContact CG2-CG 4.31Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 VanDerWaalsContact O-CG 3.28Å; I151-L155 WeakPolarHBondContact O-CG 3.17Å; I151-L155 PolarHBondContact O-N 3.14Å
152A71Confident73.7Confident18 Ų1864.7 Ų64.715%0.14936%0.362CS..Hα-helixtrans-61.5-39.2178.800000112T15 I148 S149 T156T15-A152 HydrophobicContact CG2-CB 4.41Å; I148-A152 VanDerWaalsContact O-CB 3.29Å; I148-A152 WeakPolarHBondContact O-CB 3.36Å; I148-A152 PolarHBondContact O-N 2.8Å; S149-A152 PolarHBondContact O-N 3.43Å; A152-T156 VanDerWaalsContact O-CB 3.31Å; A152-T156 WeakPolarHBondContact O-CB 3.2Å; A152-T156 PolarHBondContact O-N 2.88Å; A152-T156 PolarHBondContact O-OG1 2.89Å
153E78.9Confident74.3Confident103 Ų10366.8 Ų66.848%0.48138%0.379SS..Hα-helixtrans-67.9-42.7177.2-169.6165.2-17700111.9S149 F150 I151 L155 T156 G157S149-E153 WeakPolarHBondContact O-CB 3.35Å; S149-E153 PolarHBondContact O-N 3.45Å; F150-E153 PolarHBondContact O-N 3.08Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 2.9Å; E153-L155 PolarHBondContact O-N 3.46Å; E153-T156 PolarHBondContact O-N 3.33Å; E153-G157 PolarHBondContact O-N 2.97Å
154L73.9Confident75.1Confident115 Ų11567.3 Ų67.360%0.60239%0.39SS*.Hα-helixtrans-61.7-45175.7-170.772.8000111.9F150 I151 G157 A158F150-L154 PolarHBondContact O-N 2.93Å; I151-L154 PolarHBondContact O-N 2.86Å; L154-G157 PolarHBondContact O-N 3.03Å; L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 3.47Å
155L73.9Confident75.9Confident115 Ų11574.2 Ų74.260%0.60241%0.406SS*.Hα-helixtrans-63.9-41.8177.2-71.3173.7000111.5I151 E153 A158 A159I151-L155 HydrophobicContact CG2-CD1 3.83Å; I151-L155 HydrophobicContact CG2-CG 4.31Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 VanDerWaalsContact O-CG 3.28Å; I151-L155 WeakPolarHBondContact O-CG 3.17Å; I151-L155 PolarHBondContact O-N 3.14Å; E153-L155 PolarHBondContact O-N 3.46Å; L155-A158 PolarHBondContact O-N 2.96Å; L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 2.75Å
156T78.9Confident76.5Confident14 Ų1475.6 Ų75.69%0.08641%0.411CS..Hα-helixtrans-64.7-44.2177.5-56.60000111A12 A152 E153 A159 F160A12-T156 HydrophobicContact CB-CG2 4.39Å; A12-T156 WeakPolarHBondContact O-CG2 3.41Å; A152-T156 VanDerWaalsContact O-CB 3.31Å; A152-T156 WeakPolarHBondContact O-CB 3.2Å; A152-T156 PolarHBondContact O-N 2.88Å; A152-T156 PolarHBondContact O-OG1 2.89Å; E153-T156 PolarHBondContact O-N 3.33Å; T156-A159 PolarHBondContact O-N 2.85Å; T156-F160 HydrophobicContact CG2-CD2 3.94Å; T156-F160 HydrophobicContact CG2-CE2 3.69Å; T156-F160 VanDerWaalsContact O-CD2 3.22Å; T156-F160 WeakPolarHBondContact O-CD2 3.21Å; T156-F160 PolarHBondContact O-N 3.15Å
157G74.9Confident77.3Confident33 Ų3379.8 Ų79.834%0.3443%0.431SS..Hα-helixtrans-62.5-43.1175.700000113.3E153 L154 A159 F160 L161E153-G157 PolarHBondContact O-N 2.97Å; L154-G157 PolarHBondContact O-N 3.03Å; G157-A159 VanDerWaalsContact C-N 3.34Å; G157-A159 PolarHBondContact O-N 2.76Å; G157-F160 PolarHBondContact O-N 3.03Å; G157-L161 PolarHBondContact O-N 3.35Å
158A77.1Confident77.8Confident57 Ų5775.8 Ų75.847%0.47142%0.423SS..Hα-helixtrans-62.4-40.8175.500000112L154 L155 L161 A162L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 3.47Å; L155-A158 PolarHBondContact O-N 2.96Å; A158-L161 PolarHBondContact O-N 2.81Å; A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 2.96Å
159A80.1Confident78.5Confident47 Ų4775.9 Ų75.939%0.38842%0.424SS..Hα-helixtrans-62.7-42.417600000112.1L155 T156 G157 A162 A163L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 2.75Å; T156-A159 PolarHBondContact O-N 2.85Å; G157-A159 VanDerWaalsContact C-N 3.34Å; G157-A159 PolarHBondContact O-N 2.76Å; A159-A162 PolarHBondContact O-N 2.81Å; A159-A163 WeakPolarHBondContact O-CB 3.47Å; A159-A163 PolarHBondContact O-N 3.2Å
160F80.4Confident78.9Confident109 Ų10981.1 Ų81.148%0.47844%0.444SS..Hα-helixtrans-63.4-42.6175-84.4-66.1000112.6A12 T156 G157 A163 A164A12-F160 HydrophobicContact CB-CE2 4.13Å; A12-F160 HydrophobicContact CB-CZ 4.12Å; T156-F160 HydrophobicContact CG2-CD2 3.94Å; T156-F160 HydrophobicContact CG2-CE2 3.69Å; T156-F160 VanDerWaalsContact O-CD2 3.22Å; T156-F160 WeakPolarHBondContact O-CD2 3.21Å; T156-F160 PolarHBondContact O-N 3.15Å; G157-F160 PolarHBondContact O-N 3.03Å; F160-A163 PolarHBondContact O-N 2.76Å; F160-A164 WeakPolarHBondContact O-CB 3.2Å; F160-A164 PolarHBondContact O-N 2.76Å
161L83.8Confident79.4Confident126 Ų12684.9 Ų84.966%0.6646%0.455SS*.Hα-helixtrans-64.3-40.7176.7-79.8165.8000112.3G157 A158 A164 R165G157-L161 PolarHBondContact O-N 3.35Å; A158-L161 PolarHBondContact O-N 2.81Å; L161-A164 PolarHBondContact O-N 3.23Å; L161-R165 WeakPolarHBondContact O-CB 3.21Å; L161-R165 PolarHBondContact O-N 3.06Å
162A82.4Confident79.7Confident60 Ų6089.9 Ų89.950%0.49647%0.469SS..Hα-helixtrans-63.2-45.4175.400000111.5A158 A159 A164 R165 E166A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 2.96Å; A159-A162 PolarHBondContact O-N 2.81Å; A162-A164 PolarHBondContact O-N 3.49Å; A162-R165 PolarHBondContact O-N 2.83Å; A162-E166 PolarHBondContact O-N 3.41Å
163A81.4Confident79.8Confident47 Ų4795.2 Ų95.239%0.38849%0.491SS..Hα-helixtrans-62.6-42.3175.800000112.2A159 F160 E166 L167A159-A163 WeakPolarHBondContact O-CB 3.47Å; A159-A163 PolarHBondContact O-N 3.2Å; F160-A163 PolarHBondContact O-N 2.76Å; A163-E166 PolarHBondContact O-N 2.79Å; A163-L167 WeakPolarHBondContact O-CG 3.21Å; A163-L167 PolarHBondContact O-N 3.11Å
164A83.4Confident79.6Confident56 Ų5696 Ų9646%0.46350%0.498SS..Hα-helixtrans-64.1-40176.500000112F160 L161 A162 L167 S168F160-A164 WeakPolarHBondContact O-CB 3.2Å; F160-A164 PolarHBondContact O-N 2.76Å; L161-A164 PolarHBondContact O-N 3.23Å; A162-A164 PolarHBondContact O-N 3.49Å; A164-L167 PolarHBondContact O-N 2.84Å; A164-S168 WeakPolarHBondContact O-CB 3.5Å; A164-S168 PolarHBondContact O-N 2.96Å
165R84.6Confident79.6Confident190 Ų19097.7 Ų97.772%0.71750%0.504SS*.Hα-helixtrans-60.8-48.2174.4-95.3-165.2170.7-158.1-0.1111.8L161 A162 L167 S168 L169L161-R165 WeakPolarHBondContact O-CB 3.21Å; L161-R165 PolarHBondContact O-N 3.06Å; A162-R165 PolarHBondContact O-N 2.83Å; R165-L167 VanDerWaalsContact C-N 3.35Å; R165-L167 PolarHBondContact O-N 2.94Å; R165-S168 WeakPolarHBondContact O-CB 3.26Å; R165-S168 PolarHBondContact O-N 3.32Å; R165-S168 VanDerWaalsContact O-N 3.11Å; R165-S168 PolarHBondContact O-OG 3.38Å; R165-L169 WeakPolarHBondContact O-CG 3.02Å; R165-L169 PolarHBondContact O-N 3.06Å
166E83.5Confident79Confident89 Ų8996.4 Ų96.442%0.41651%0.51SS..Hα-helixtrans-60.8-43.8179.4179.161.1-16500111.7A162 A163 S168 L169 R170A162-E166 PolarHBondContact O-N 3.41Å; A163-E166 PolarHBondContact O-N 2.79Å; E166-S168 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 3.35Å; E166-L169 PolarHBondContact O-N 3.08Å; E166-R170 WeakPolarHBondContact O-CG 3.24Å; E166-R170 PolarHBondContact O-N 2.73Å; E166-R170 IonicContact OE1-CZ 3.33Å; E166-R170 IonicContact OE1-NE 2.83Å; E166-R170 PolarHBondContact OE1-NE 3.48Å; E166-R170 IonicContact OE1-NH2 2.95Å; E166-R170 PolarHBondContact OE1-NH2 3.11Å
167L83.4Confident77.7Confident99 Ų99105.1 Ų105.152%0.51855%0.553SS.*Hα-helixtrans-63.6-36.4174.7-69.8172.4000112.4A163 A164 R165 R171A163-L167 WeakPolarHBondContact O-CG 3.21Å; A163-L167 PolarHBondContact O-N 3.11Å; A164-L167 PolarHBondContact O-N 2.84Å; R165-L167 VanDerWaalsContact C-N 3.35Å; R165-L167 PolarHBondContact O-N 2.94Å; L167-R171 WeakPolarHBondContact O-CB 3.42Å; L167-R171 PolarHBondContact O-N 3.19Å
168S80.3Confident77.8Confident50 Ų50108.7 Ų108.735%0.3556%0.564SS.*Hα-helixtrans-67.1-37.1177.183.30000112.5A164 R165 E166 R172A164-S168 WeakPolarHBondContact O-CB 3.5Å; A164-S168 PolarHBondContact O-N 2.96Å; R165-S168 WeakPolarHBondContact O-CB 3.26Å; R165-S168 PolarHBondContact O-N 3.32Å; R165-S168 VanDerWaalsContact O-N 3.11Å; R165-S168 PolarHBondContact O-OG 3.38Å; E166-S168 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 3.35Å; S168-R172 WeakPolarHBondContact O-CB 3.35Å; S168-R172 PolarHBondContact O-N 3.31Å; S168-R172 VanDerWaalsContact O-N 3.09Å
169L83.9Confident77.8Confident94 Ų94111.4 Ų111.449%0.49257%0.569SS.*Hα-helixtrans-70.1-45.3177.2-71.1173.8000110.8R165 E166 R172 Q173R165-L169 WeakPolarHBondContact O-CG 3.02Å; R165-L169 PolarHBondContact O-N 3.06Å; E166-L169 PolarHBondContact O-N 3.08Å; L169-R172 PolarHBondContact O-N 3.44Å; L169-Q173 PolarHBondContact O-N 2.75Å
170R81.1Confident77.7Confident110 Ų110115 Ų11542%0.41558%0.579SS.*Hα-helixtrans-59.5-47.3174.9-71.9-179.1-176.1-102.9-6.9112.1E166 R172 Q173 D174E166-R170 WeakPolarHBondContact O-CG 3.24Å; E166-R170 PolarHBondContact O-N 2.73Å; E166-R170 IonicContact OE1-CZ 3.33Å; E166-R170 IonicContact OE1-NE 2.83Å; E166-R170 PolarHBondContact OE1-NE 3.48Å; E166-R170 IonicContact OE1-NH2 2.95Å; E166-R170 PolarHBondContact OE1-NH2 3.11Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.43Å; R170-Q173 PolarHBondContact O-N 3.37Å; R170-Q173 VanDerWaalsContact O-N 3.12Å; R170-D174 PolarHBondContact O-N 2.72Å
171R79.3Confident77.6Confident179 Ų179115.4 Ų115.468%0.67559%0.585SS**Hα-helixtrans-58.9-37.8175.7-176-177.5-71.9169.5-3.2112.2L167 Q175L167-R171 WeakPolarHBondContact O-CB 3.42Å; L167-R171 PolarHBondContact O-N 3.19Å; R171-Q175 WeakPolarHBondContact O-CG 3.03Å; R171-Q175 PolarHBondContact O-N 3.05Å
172R76.9Confident77.2Confident176 Ų176114.7 Ų114.766%0.66458%0.58SS**Hα-helixtrans-68.6-36.4176.8-118.9-169.1-82.8-156.9-4.4112.6S168 L169 R170 A176S168-R172 WeakPolarHBondContact O-CB 3.35Å; S168-R172 PolarHBondContact O-N 3.31Å; S168-R172 VanDerWaalsContact O-N 3.09Å; L169-R172 PolarHBondContact O-N 3.44Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.43Å; R172-A176 PolarHBondContact O-N 3.26Å
173Q73.8Confident76.8Confident130 Ų130118.3 Ų118.361%0.60759%0.586SS**Hα-helixtrans-68-42.3174.4-73.2-179.4-30.400111.7L169 R170 Q175 A176L169-Q173 PolarHBondContact O-N 2.75Å; R170-Q173 PolarHBondContact O-N 3.37Å; R170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-Q175 PolarHBondContact O-N 3.19Å; Q173-A176 PolarHBondContact O-N 3.45Å; Q173-A176 VanDerWaalsContact O-N 3.15Å
174D74.9Confident76.5Confident119 Ų119123.4 Ų123.464%0.63660%0.6SS**Hα-helixtrans-66.2-23.5177.7-67.1-24.4000113.1R170R170-D174 PolarHBondContact O-N 2.72Å
175Q72.7Confident76Confident152 Ų152128.6 Ų128.671%0.7161%0.61SS**THydrogen-bonded Turntrans-87.9-12.6175.1-76.6-176.2-33.100114R171 Q173R171-Q175 WeakPolarHBondContact O-CG 3.03Å; R171-Q175 PolarHBondContact O-N 3.05Å; Q173-Q175 PolarHBondContact O-N 3.19Å
176A62.1Low75.2Confident88 Ų88123.5 Ų123.573%0.72760%0.601SS**  trans-95.50.3-179.900000113.1R172 Q173R172-A176 PolarHBondContact O-N 3.26Å; Q173-A176 PolarHBondContact O-N 3.45Å; Q173-A176 VanDerWaalsContact O-N 3.15Å
177I51Low74.5Confident196 Ų196126.6 Ų126.6100%1.00562%0.618SS**  trans-109.10175-59.4168.1000107.8

Retrieved 177 of 177 residues in 112.7 ms (Link to these results)

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