A0A087XYW2_POEFO Loading...

Claudin-11

Plays a major role in tight junction-specific obliteration of the intercellular space, through calcium-independent cell-adhesion activity.

AlphaFold DB , UniProt , Accession A0A087XYW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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
1M60.9Low86Confident211 Ų21168.7 Ų68.7100%1.03940%0.399SS*.  0-51.60-65-159.9-81.900112.1N3 S4 C5M1-N3 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-N 3.44Å; M1-C5 PolarHBondContact O-N 3.44Å; M1-C5 VanDerWaalsContact O-N 3.12Å
2A74.1Confident86.9Confident75 Ų7569.8 Ų69.862%0.6240%0.401SS*.Hα-helixtrans-55.8-46.3179.500000114.2S4 C5 L6A2-S4 PolarHBondContact O-N 3.21Å; A2-C5 WeakPolarHBondContact O-CB 3.28Å; A2-C5 PolarHBondContact O-N 3.47Å; A2-L6 PolarHBondContact O-N 2.92Å
3N81.1Confident87.6Confident73 Ų7367.7 Ų67.739%0.3939%0.388SS..Hα-helixtrans-64.2-38.9-179.1-65.46.4000113.2M1 C5 L6 Q7 S181M1-N3 PolarHBondContact O-N 2.94Å; N3-C5 VanDerWaalsContact C-N 3.33Å; N3-L6 PolarHBondContact O-N 2.98Å; N3-Q7 WeakPolarHBondContact O-CB 3.36Å; N3-Q7 PolarHBondContact O-N 3.17Å; N3-S181 PolarHBondContact ND2-OG 3.17Å
4S84.1Confident88.3Confident65 Ų6562.9 Ų62.946%0.45536%0.36SS..Hα-helixtrans-66.3-37176-49.20000111.7M1 A2 L8M1-S4 PolarHBondContact O-N 3.44Å; A2-S4 PolarHBondContact O-N 3.21Å; S4-L8 WeakPolarHBondContact O-CB 3.31Å; S4-L8 PolarHBondContact O-N 2.96Å
5C87.5Confident88.9Confident74 Ų7460.1 Ų60.150%0.535%0.346SS..Hα-helixtrans-64.6-47.4173.2-177.40000110.8M1 A2 N3 Q7 L8 C9M1-C5 PolarHBondContact O-N 3.44Å; M1-C5 VanDerWaalsContact O-N 3.12Å; A2-C5 WeakPolarHBondContact O-CB 3.28Å; A2-C5 PolarHBondContact O-N 3.47Å; N3-C5 VanDerWaalsContact C-N 3.33Å; C5-Q7 VanDerWaalsContact C-N 3.35Å; C5-Q7 PolarHBondContact O-N 3.36Å; C5-L8 PolarHBondContact O-N 3.36Å; C5-C9 WeakPolarHBondContact O-CB 2.9Å; C5-C9 PolarHBondContact O-N 3.11Å; C5-C9 PolarHBondContact O-SG 3.44Å
6L90.1Very high89.4Confident67 Ų6762.6 Ų62.635%0.35136%0.357SS..Hα-helixtrans-62.5-40.9179.4-148.978.1000112.2A2 N3 G10 M174A2-L6 PolarHBondContact O-N 2.92Å; N3-L6 PolarHBondContact O-N 2.98Å; L6-G10 PolarHBondContact O-N 3.08Å; L6-M174 HydrophobicContact CG-CB 4.39Å
7Q91.2Very high89.9Confident25 Ų2558.9 Ų58.912%0.11734%0.336CS..Hα-helixtrans-64.3-46176.3-169.6-180-2.300111.4N3 C5 G10 F11 S102 M103 L175N3-Q7 WeakPolarHBondContact O-CB 3.36Å; N3-Q7 PolarHBondContact O-N 3.17Å; C5-Q7 VanDerWaalsContact C-N 3.35Å; C5-Q7 PolarHBondContact O-N 3.36Å; Q7-G10 PolarHBondContact O-N 3.04Å; Q7-F11 PolarHBondContact O-N 2Å; Q7-S102 PolarHBondContact NE2-O 3.37Å; Q7-S102 PolarHBondContact NE2-OG 3.37Å; Q7-M103 HydrophobicContact CG-CE 4.14Å; Q7-M103 HydrophobicContact CG-SD 4.22Å; Q7-M103 WeakPolarHBondContact O-CE 3.47Å; Q7-L175 HydrophobicContact CG-CD2 3.96Å; Q7-L175 WeakPolarHBondContact O-CD2 3.33Å
8L92.3Very high90.3Very high86 Ų8657.7 Ų57.745%0.4533%0.325SS..Hα-helixtrans-63.6-47.5177.4-177.365.2000111.7S4 C5 G10 F11 L12 M103S4-L8 WeakPolarHBondContact O-CB 3.31Å; S4-L8 PolarHBondContact O-N 2.96Å; C5-L8 PolarHBondContact O-N 3.36Å; L8-G10 VanDerWaalsContact C-N 3.35Å; L8-G10 PolarHBondContact O-N 3.46Å; L8-F11 PolarHBondContact O-N 2.94Å; L8-L12 HydrophobicContact CG-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CG 3.12Å; L8-L12 PolarHBondContact O-N 3.47Å; L8-M103 HydrophobicContact CD1-SD 4.5Å
9C94.2Very high90.7Very high49 Ų4959.1 Ų59.133%0.33133%0.331SS..Hα-helixtrans-58.9-47.1175.4-71.20000111C5 F11 L12 L13C5-C9 WeakPolarHBondContact O-CB 2.9Å; C5-C9 PolarHBondContact O-N 3.11Å; C5-C9 PolarHBondContact O-SG 3.44Å; C9-F11 VanDerWaalsContact C-N 3.31Å; C9-F11 PolarHBondContact O-N 3.49Å; C9-L12 PolarHBondContact O-N 3.25Å; C9-L13 WeakPolarHBondContact O-CB 3.29Å; C9-L13 WeakPolarHBondContact O-CD1 3.28Å; C9-L13 PolarHBondContact O-N 3.35Å
10G94.8Very high91Very high0 Ų056.8 Ų56.80%032%0.321CS..Hα-helixtrans-59.7-39.7179.300000112.9L6 Q7 L8 S14 G171L6-G10 PolarHBondContact O-N 3.08Å; Q7-G10 PolarHBondContact O-N 3.04Å; L8-G10 VanDerWaalsContact C-N 3.35Å; L8-G10 PolarHBondContact O-N 3.46Å; G10-S14 WeakPolarHBondContact O-CB 3.46Å; G10-S14 PolarHBondContact O-N 3.4Å; G10-S14 PolarHBondContact O-OG 3.03Å; G10-G171 WeakPolarHBondContact O-CA 3.31Å
11F95.5Very high91.3Very high31 Ų3154.1 Ų54.114%0.13631%0.306CS..Hα-helixtrans-67.3-45.7173.5168.2-104.5000113.4Q7 L8 C9 S14 S15 V96 L99 L100 M103Q7-F11 PolarHBondContact O-N 2Å; L8-F11 PolarHBondContact O-N 2.94Å; C9-F11 VanDerWaalsContact C-N 3.31Å; C9-F11 PolarHBondContact O-N 3.49Å; F11-S14 PolarHBondContact O-N 3.38Å; F11-S15 WeakPolarHBondContact O-CB 3.31Å; F11-S15 PolarHBondContact O-N 3.01Å; F11-S15 PolarHBondContact O-OG 3.23Å; F11-V96 HydrophobicContact CE2-CG1 4.23Å; F11-L99 HydrophobicContact CD2-CB 3.72Å; F11-L99 HydrophobicContact CE2-CB 4.28Å; F11-L100 HydrophobicContact CE2-CB 4.15Å; F11-L100 HydrophobicContact CE2-CD1 4.37Å; F11-L100 HydrophobicContact CZ-CB 4.45Å; F11-L100 HydrophobicContact CZ-CD1 3.85Å; F11-M103 HydrophobicContact CB-CE 2.99Å; F11-M103 HydrophobicContact CD1-CE 3.84Å; F11-M103 HydrophobicContact CD2-CE 4.09Å; F11-M103 HydrophobicContact CG-CE 3.39Å
12L96.6Very high93Very high81 Ų8146.4 Ų46.442%0.42427%0.271SS..Hα-helixtrans-61-48.4178.6-69.3174.5000110.6L8 C9 S14 S15 L16L8-L12 HydrophobicContact CG-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CG 3.12Å; L8-L12 PolarHBondContact O-N 3.47Å; C9-L12 PolarHBondContact O-N 3.25Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.39Å; L12-S15 PolarHBondContact O-N 3.41Å; L12-S15 PolarHBondContact O-OG 3.04Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.38Å
13L97.1Very high94Very high43 Ų4346.6 Ų46.623%0.22526%0.261CS..Hα-helixtrans-58.8-45.8175.1-91.173000111.5C9 S15 L16 G17 F167 L170 M174C9-L13 WeakPolarHBondContact O-CB 3.29Å; C9-L13 WeakPolarHBondContact O-CD1 3.28Å; C9-L13 PolarHBondContact O-N 3.35Å; L13-S15 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.05Å; L13-G17 PolarHBondContact O-N 2.86Å; L13-F167 WeakPolarHBondContact O-CB 3.38Å; L13-L170 HydrophobicContact CD2-CB 4.19Å; L13-L170 HydrophobicContact CD2-CD2 3.57Å; L13-L170 HydrophobicContact CD2-CG 3.86Å; L13-M174 HydrophobicContact CD2-SD 4.34Å
14S97Very high94.7Very high0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-60.2-47.8177.5-64.70000111.8G10 F11 L12 G17 W18 M127 G171G10-S14 WeakPolarHBondContact O-CB 3.46Å; G10-S14 PolarHBondContact O-N 3.4Å; G10-S14 PolarHBondContact O-OG 3.03Å; F11-S14 PolarHBondContact O-N 3.38Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.39Å; S14-G17 PolarHBondContact O-N 2.79Å; S14-W18 WeakPolarHBondContact O-CB 3.35Å; S14-W18 PolarHBondContact O-N 3.1Å; S14-M127 WeakPolarHBondContact O-CE 3.38Å; S14-G171 VanDerWaalsContact OG-C 3.3Å; S14-G171 WeakPolarHBondContact OG-CA 3.46Å
15S96.7Very high95.2Very high22 Ų2240.7 Ų40.715%0.15422%0.224CC..Hα-helixtrans-64.1-43.9-179.965.70000112.6F11 L12 L13 G17 W18 L19F11-S15 WeakPolarHBondContact O-CB 3.31Å; F11-S15 PolarHBondContact O-N 3.01Å; F11-S15 PolarHBondContact O-OG 3.23Å; L12-S15 PolarHBondContact O-N 3.41Å; L12-S15 PolarHBondContact O-OG 3.04Å; L13-S15 PolarHBondContact O-N 3.39Å; S15-G17 VanDerWaalsContact C-N 3.34Å; S15-W18 PolarHBondContact O-N 2.82Å; S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.46Å; S15-L19 PolarHBondContact O-N 2.65Å
16L97.6Very high95.5Very high99 Ų9941 Ų4152%0.51823%0.228SC..Hα-helixtrans-66.9-39.6176.6-71.3172.3000111L12 L13 L19 G20 F167L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.38Å; L13-L16 PolarHBondContact O-N 3.05Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-G20 PolarHBondContact O-N 2.9Å; L16-F167 HydrophobicContact CB-CD2 4.4Å
17G97.4Very high95.6Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-60.8-47.9175.700000111.9L13 S14 S15 L19 G20 V21 G164L13-G17 PolarHBondContact O-N 2.86Å; S14-G17 PolarHBondContact O-N 2.79Å; S15-G17 VanDerWaalsContact C-N 3.34Å; G17-L19 PolarHBondContact O-N 3.2Å; G17-G20 WeakPolarHBondContact O-CA 3.47Å; G17-G20 PolarHBondContact O-N 3.22Å; G17-G20 VanDerWaalsContact O-N 3.11Å; G17-V21 WeakPolarHBondContact O-CG2 3.5Å; G17-V21 PolarHBondContact O-N 3.07Å; G17-G164 VanDerWaalsContact CA-O 3.27Å; G17-G164 WeakPolarHBondContact CA-O 3.31Å; G17-G164 WeakPolarHBondContact O-CA 3.2Å
18W98.1Very high95.5Very high37 Ų3739.7 Ų39.714%0.1422%0.223CC..Hα-helixtrans-64.8-41178.917361.5000111.8S14 S15 G20 V21 V22 S89 L93 V96 M127 C168S14-W18 WeakPolarHBondContact O-CB 3.35Å; S14-W18 PolarHBondContact O-N 3.1Å; S15-W18 PolarHBondContact O-N 2.82Å; W18-G20 VanDerWaalsContact C-N 3.29Å; W18-G20 PolarHBondContact O-N 2.76Å; W18-V21 PolarHBondContact O-N 3.5Å; W18-V21 VanDerWaalsContact O-N 3.15Å; W18-V22 HydrophobicContact CD2-CG2 4.4Å; W18-V22 HydrophobicContact CZ2-CG2 3.99Å; W18-V22 WeakPolarHBondContact O-CG2 2.99Å; W18-V22 PolarHBondContact O-N 3.26Å; W18-S89 PolarHBondContact NE1-O 3.4Å; W18-L93 HydrophobicContact CH2-CD2 3.29Å; W18-L93 HydrophobicContact CH2-CG 3.88Å; W18-L93 HydrophobicContact CZ2-CB 4.43Å; W18-L93 HydrophobicContact CZ2-CD2 3.54Å; W18-L93 HydrophobicContact CZ2-CG 3.54Å; W18-L93 HydrophobicContact CZ3-CD2 4.37Å; W18-V96 HydrophobicContact CD2-CG2 4.16Å; W18-V96 HydrophobicContact CE3-CG2 3.79Å; W18-V96 HydrophobicContact CG-CG2 4.47Å; W18-V96 HydrophobicContact CZ3-CG2 4.46Å; W18-M127 HydrophobicContact CB-CE 3.88Å; W18-C168 PolarHBondContact N-SG 3.35Å
19L97.4Very high95.4Very high85 Ų8540.1 Ų40.145%0.44523%0.226SC..Hα-helixtrans-58.6-41.4171.2-72.2171.8000111.7S15 L16 G17 V21 V22 I23S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.46Å; S15-L19 PolarHBondContact O-N 2.65Å; L16-L19 PolarHBondContact O-N 3.39Å; G17-L19 PolarHBondContact O-N 3.2Å; L19-V21 PolarHBondContact O-N 3.44Å; L19-V22 PolarHBondContact O-N 3.34Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.37Å; L19-I23 PolarHBondContact O-N 2.85Å
20G96.3Very high95.3Very high13 Ų1337.8 Ų37.813%0.13421%0.21CC..Hα-helixtrans-59.6-42.5173.700000112.9L16 G17 W18 I23 A24L16-G20 PolarHBondContact O-N 2.9Å; G17-G20 WeakPolarHBondContact O-CA 3.47Å; G17-G20 PolarHBondContact O-N 3.22Å; G17-G20 VanDerWaalsContact O-N 3.11Å; W18-G20 VanDerWaalsContact C-N 3.29Å; W18-G20 PolarHBondContact O-N 2.76Å; G20-I23 PolarHBondContact O-N 3.03Å; G20-A24 WeakPolarHBondContact O-CB 3.23Å; G20-A24 PolarHBondContact O-N 2.89Å
21V96.4Very high95.2Very high0 Ų037.8 Ų37.80%021%0.21CC..Hα-helixtrans-64.3-41174.91750000111.4G17 W18 L19 A24 T25 M85 A134G17-V21 WeakPolarHBondContact O-CG2 3.5Å; G17-V21 PolarHBondContact O-N 3.07Å; W18-V21 PolarHBondContact O-N 3.5Å; W18-V21 VanDerWaalsContact O-N 3.15Å; L19-V21 PolarHBondContact O-N 3.44Å; V21-A24 PolarHBondContact O-N 2.95Å; V21-T25 WeakPolarHBondContact O-CB 3.38Å; V21-T25 PolarHBondContact O-N 2.89Å; V21-T25 PolarHBondContact O-OG1 3.16Å; V21-M85 HydrophobicContact CG1-SD 4.3Å; V21-A134 HydrophobicContact CG1-CB 3.97Å; V21-A134 HydrophobicContact CG2-CB 3.76Å
22V96.9Very high94.9Very high50 Ų5037.8 Ų37.830%0.30321%0.213SC..Hα-helixtrans-64.6-44.6176.3172.30000111W18 L19 T25 S26W18-V22 HydrophobicContact CD2-CG2 4.4Å; W18-V22 HydrophobicContact CZ2-CG2 3.99Å; W18-V22 WeakPolarHBondContact O-CG2 2.99Å; W18-V22 PolarHBondContact O-N 3.26Å; L19-V22 PolarHBondContact O-N 3.34Å; V22-T25 CarbonylContact O-C 3.37Å; V22-T25 WeakPolarHBondContact O-CB 3.39Å; V22-T25 PolarHBondContact O-N 2.92Å; V22-T25 VanDerWaalsContact O-N 3.16Å; V22-S26 PolarHBondContact O-N 3.16Å; V22-S26 PolarHBondContact O-OG 3.31Å
23I96Very high94.3Very high79 Ų7934 Ų3441%0.40519%0.193SC..Hα-helixtrans-61.9-45.1176.6-68.4163.8000110.5L19 G20 T25 S26 T27L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.37Å; L19-I23 PolarHBondContact O-N 2.85Å; G20-I23 PolarHBondContact O-N 3.03Å; I23-T25 PolarHBondContact O-N 3.28Å; I23-S26 PolarHBondContact O-N 2.87Å; I23-S26 PolarHBondContact O-OG 2.77Å; I23-S26 VanDerWaalsContact O-OG 3.12Å; I23-T27 HydrophobicContact CG2-CG2 4.33Å; I23-T27 WeakPolarHBondContact O-CB 3.2Å; I23-T27 WeakPolarHBondContact O-CG2 3.2Å; I23-T27 PolarHBondContact O-N 3.4Å; I23-T27 PolarHBondContact O-OG1 3.49Å
24A95.3Very high93.5Very high0 Ų032.5 Ų32.50%019%0.186CC..Hα-helixtrans-61.2-37.2176.200000111.5G20 V21 W30 M85 S157G20-A24 WeakPolarHBondContact O-CB 3.23Å; G20-A24 PolarHBondContact O-N 2.89Å; V21-A24 PolarHBondContact O-N 2.95Å; A24-W30 PolarHBondContact O-NE1 3.44Å; A24-M85 HydrophobicContact CB-CE 4Å; A24-S157 VanDerWaalsContact CA-OG 3.25Å; A24-S157 WeakPolarHBondContact CA-OG 3.37Å; A24-S157 WeakPolarHBondContact CB-O 3.46Å; A24-S157 PolarHBondContact O-OG 3.23Å
25T94.8Very high92.3Very high13 Ų1340.2 Ų40.28%0.0822%0.219CC..Hα-helixtrans-69.1-39.7175.7-54.80000111.6V21 V22 I23 W53 M85 S89V21-T25 WeakPolarHBondContact O-CB 3.38Å; V21-T25 PolarHBondContact O-N 2.89Å; V21-T25 PolarHBondContact O-OG1 3.16Å; V22-T25 CarbonylContact O-C 3.37Å; V22-T25 WeakPolarHBondContact O-CB 3.39Å; V22-T25 PolarHBondContact O-N 2.92Å; V22-T25 VanDerWaalsContact O-N 3.16Å; I23-T25 PolarHBondContact O-N 3.28Å; T25-W53 HydrophobicContact CG2-CZ2 4Å; T25-W53 PolarHBondContact O-NE1 3Å; T25-M85 HydrophobicContact CG2-CB 3.9Å; T25-S89 PolarHBondContact OG1-OG 2.8Å
26S93.6Very high91.3Very high81 Ų8145.9 Ų45.957%0.56624%0.238SC*.Hα-helixtrans-81.7-15.6-176.560.50000114.6V22 I23V22-S26 PolarHBondContact O-N 3.16Å; V22-S26 PolarHBondContact O-OG 3.31Å; I23-S26 PolarHBondContact O-N 2.87Å; I23-S26 PolarHBondContact O-OG 2.77Å; I23-S26 VanDerWaalsContact O-OG 3.12Å
27T92.3Very high90.1Very high42 Ų4243.1 Ų43.126%0.25823%0.234SC..  trans-102.1148.3-177.150.70000111.3I23 W30 S157I23-T27 HydrophobicContact CG2-CG2 4.33Å; I23-T27 WeakPolarHBondContact O-CB 3.2Å; I23-T27 WeakPolarHBondContact O-CG2 3.2Å; I23-T27 PolarHBondContact O-N 3.4Å; I23-T27 PolarHBondContact O-OG1 3.49Å; T27-W30 PolarHBondContact O-NE1 3.23Å; T27-W30 VanDerWaalsContact O-NE1 3.11Å; T27-S157 VanDerWaalsContact OG1-CB 3.25Å; T27-S157 WeakPolarHBondContact OG1-CB 3.39Å; T27-S157 PolarHBondContact OG1-OG 2.93Å
28N89.5Confident88.9Confident23 Ų2346.9 Ų46.912%0.12326%0.257CS..  trans-104.9-5-176.3-70.2-62.8000114.8W30 K50 G51 W53 E54N28-W30 PolarHBondContact O-N 2.79Å; N28-K50 CarbonylContact O-C 3.55Å; N28-G51 WeakPolarHBondContact O-CA 3.23Å; N28-G51 PolarHBondContact O-N 3.18Å; N28-W53 WeakPolarHBondContact OD1-CA 3.13Å; N28-W53 VanDerWaalsContact OD1-CB 3.23Å; N28-W53 WeakPolarHBondContact OD1-CB 3.4Å; N28-W53 PolarHBondContact OD1-N 3.03Å; N28-E54 HydrophobicContact CB-CG 3.57Å; N28-E54 WeakPolarHBondContact CB-OE1 3.14Å; N28-E54 VanDerWaalsContact CG-CG 3.44Å; N28-E54 VanDerWaalsContact CG-OE1 3.26Å; N28-E54 WeakPolarHBondContact ND2-CG 3.19Å; N28-E54 PolarHBondContact ND2-OE1 2.87Å; N28-E54 PolarHBondContact OD1-N 2.99Å
29D89.5Confident87.7Confident94 Ų9450.2 Ų50.250%0.50328%0.281SS..  trans-79.869.8177.1-67.5-50.7000111.7S49 G155 F156 S157D29-S49 PolarHBondContact OD1-OG 2.98Å; D29-G155 CarbonylContact O-C 3.41Å; D29-G155 VanDerWaalsContact O-C 3.23Å; D29-G155 VanDerWaalsContact O-CA 3.23Å; D29-G155 WeakPolarHBondContact O-CA 3.44Å; D29-F156 PolarHBondContact O-N 3.2Å; D29-S157 WeakPolarHBondContact O-CB 3.29Å; D29-S157 PolarHBondContact O-N 2.79Å
30W92.6Very high86.6Confident1 Ų149 Ų490%0.00428%0.277CS..SBendtrans-91.6-49.7-179.7-81.452.8000112.3A24 T27 N28 K50 P52 T81 M85 T138 F141 G155 S157 L158A24-W30 PolarHBondContact O-NE1 3.44Å; T27-W30 PolarHBondContact O-NE1 3.23Å; T27-W30 VanDerWaalsContact O-NE1 3.11Å; N28-W30 PolarHBondContact O-N 2.79Å; W30-K50 WeakPolarHBondContact CB-O 3.4Å; W30-K50 PolarHBondContact N-O 2.84Å; W30-P52 HydrophobicContact CD2-CG 4.4Å; W30-P52 HydrophobicContact CZ2-CG 3.94Å; W30-P52 VanDerWaalsContact NE1-CD 3.27Å; W30-T81 HydrophobicContact CH2-CG2 3.61Å; W30-T81 HydrophobicContact CZ2-CG2 4.4Å; W30-T81 HydrophobicContact CZ3-CG2 3.79Å; W30-M85 HydrophobicContact CH2-CE 3.31Å; W30-M85 HydrophobicContact CH2-CG 3.96Å; W30-M85 HydrophobicContact CH2-SD 4.35Å; W30-M85 HydrophobicContact CZ2-CE 3.43Å; W30-M85 VanDerWaalsContact CZ2-CE 3.43Å; W30-M85 HydrophobicContact CZ2-CG 4.26Å; W30-M85 HydrophobicContact CZ3-CE 4.48Å; W30-T138 HydrophobicContact CH2-CG2 4.25Å; W30-T138 HydrophobicContact CZ3-CG2 4.24Å; W30-F141 HydrophobicContact CB-CD1 4.12Å; W30-F141 HydrophobicContact CB-CE1 3.64Å; W30-F141 HydrophobicContact CB-CZ 4.36Å; W30-F141 HydrophobicContact CD2-CD1 4.36Å; W30-F141 HydrophobicContact CD2-CE1 4.43Å; W30-F141 HydrophobicContact CE3-CB 4.01Å; W30-F141 AromaticContact CE3-CD1 3.61Å; W30-F141 HydrophobicContact CE3-CD1 3.61Å; W30-F141 HydrophobicContact CE3-CD2 4.36Å; W30-F141 HydrophobicContact CE3-CE1 4.11Å; W30-F141 AromaticContact CE3-CG 3.75Å; W30-F141 HydrophobicContact CE3-CG 3.75Å; W30-F141 HydrophobicContact CG-CE1 4.29Å; W30-F141 HydrophobicContact CZ3-CB 3.94Å; W30-F141 HydrophobicContact CZ3-CD1 4.38Å; W30-F141 HydrophobicContact CZ3-CG 4.07Å; W30-G155 PolarHBondContact O-N 2.94Å; W30-S157 PolarHBondContact NE1-OG 3.28Å; W30-L158 HydrophobicContact CB-CD1 4.13Å; W30-L158 HydrophobicContact CD2-CD1 4.32Å; W30-L158 HydrophobicContact CE3-CD1 3.74Å; W30-L158 HydrophobicContact CE3-CG 4.41Å; W30-L158 WeakPolarHBondContact O-CD1 3.38Å
31V91.8Very high85.5Confident0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-144.2145.1-176.3-60.80000110.8M33 S49 K50 F141 P142 A145 L151 L158V31-M33 HydrophobicContact CB-CE 3.42Å; V31-M33 VanDerWaalsContact CB-CE 3.42Å; V31-M33 HydrophobicContact CG1-CE 4.25Å; V31-M33 HydrophobicContact CG2-CE 3.32Å; V31-S49 WeakPolarHBondContact O-CA 3.07Å; V31-K50 HydrophobicContact CG2-CB 3.83Å; V31-K50 PolarHBondContact N-O 3.22Å; V31-K50 VanDerWaalsContact N-O 3.16Å; V31-K50 PolarHBondContact O-N 2.82Å; V31-F141 HydrophobicContact CB-CE1 4.46Å; V31-F141 HydrophobicContact CG1-CD1 4Å; V31-F141 HydrophobicContact CG1-CE1 4.07Å; V31-F141 HydrophobicContact CG2-CD1 4.32Å; V31-F141 HydrophobicContact CG2-CE1 3.64Å; V31-P142 HydrophobicContact CG1-CB 4.42Å; V31-P142 HydrophobicContact CG1-CG 4.21Å; V31-A145 HydrophobicContact CG2-CB 4.07Å; V31-L151 HydrophobicContact CG1-CD1 4.15Å; V31-L158 HydrophobicContact CG1-CD1 3.87Å
32T89.1Confident84.5Confident30 Ų3052.9 Ų52.918%0.18429%0.291CS..EExtended strand (participates in β ladder)trans-111.6122.5172-50.60000108.9L47 Q48 M152 S153T32-L47 HydrophobicContact CG2-CD1 3.61Å; T32-L47 HydrophobicContact CG2-CG 4.13Å; T32-Q48 CarbonylContact C-O 3.59Å; T32-Q48 WeakPolarHBondContact CA-O 3.4Å; T32-M152 HydrophobicContact CG2-CE 4.15Å; T32-M152 WeakPolarHBondContact O-CB 3.15Å; T32-M152 PolarHBondContact O-N 2.99Å; T32-S153 PolarHBondContact N-O 3.33Å; T32-S153 PolarHBondContact O-N 2.97Å
33M83.9Confident83.1Confident3 Ų358.5 Ų58.52%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-104.3138.1-179.8-61.1-64.6127.900109.7V31 Q48 A145 L149 G150 L151V31-M33 HydrophobicContact CB-CE 3.42Å; V31-M33 VanDerWaalsContact CB-CE 3.42Å; V31-M33 HydrophobicContact CG1-CE 4.25Å; V31-M33 HydrophobicContact CG2-CE 3.32Å; M33-Q48 HydrophobicContact CB-CB 4.49Å; M33-Q48 PolarHBondContact N-O 3.25Å; M33-Q48 PolarHBondContact O-N 3.15Å; M33-Q48 VanDerWaalsContact O-N 3.1Å; M33-A145 HydrophobicContact CE-CB 3.36Å; M33-A145 HydrophobicContact SD-CB 3.83Å; M33-L149 HydrophobicContact CB-CB 4.37Å; M33-G150 VanDerWaalsContact SD-O 3.38Å; M33-L151 HydrophobicContact CE-CB 3.97Å; M33-L151 HydrophobicContact CE-CD1 3.65Å; M33-L151 HydrophobicContact CE-CG 3.62Å; M33-L151 HydrophobicContact SD-CB 4.32Å
34C81.8Confident81.9Confident10 Ų1060.6 Ų60.67%0.06832%0.32CS..  trans-171.3131.3173.9154.60000108.7Y36 C41 L47 M152C34-Y36 VanDerWaalsContact C-N 3.3Å; C34-Y36 PolarHBondContact O-N 3.35Å; C34-Y36 PolarHBondContact SG-N 3.04Å; C34-Y36 VanDerWaalsContact SG-N 3.44Å; C34-Y36 PolarHBondContact SG-O 3.33Å; C34-C41 HydrophobicContact CB-CB 3.81Å; C34-C41 WeakPolarHBondContact CB-SG 3.27Å; C34-C41 WeakPolarHBondContact SG-CB 3.47Å; C34-C41 CovalentContact SG-SG 2Å; C34-C41 PolarHBondContact SG-SG 2.97Å; C34-L47 HydrophobicContact CB-CD1 3.89Å; C34-M152 HydrophobicContact CB-CB 4.31Å; C34-M152 HydrophobicContact CB-CE 3.91Å; C34-M152 HydrophobicContact CB-CG 4.43Å
35K72.3Confident80.7Confident162 Ų16263.5 Ų63.570%0.70434%0.336SS*.SBendtrans-76.9-16.3-178.2-167.1172.6-180176.10113.6
36Y74.1Confident79.7Confident141 Ų14168.3 Ų68.355%0.55336%0.357SS*.SBendtrans-120.8-166.3-176.8-56.9-74.6000111.4C34 T40C34-Y36 VanDerWaalsContact C-N 3.3Å; C34-Y36 PolarHBondContact O-N 3.35Å; C34-Y36 PolarHBondContact SG-N 3.04Å; C34-Y36 VanDerWaalsContact SG-N 3.44Å; C34-Y36 PolarHBondContact SG-O 3.33Å; Y36-T40 HydrophobicContact CG-CG2 4.39Å
37G73.1Confident79.1Confident41 Ų4165.2 Ų65.242%0.42334%0.335SS..  trans-73.7156.8170.100000112.6T39 T40 C41G37-T39 VanDerWaalsContact C-N 3.29Å; G37-T39 PolarHBondContact O-N 3.13Å; G37-T40 PolarHBondContact O-N 3.11Å; G37-C41 PolarHBondContact O-N 3.3Å
38V72.4Confident78.7Confident80 Ų8065.1 Ų65.149%0.48533%0.331SS..Hα-helixtrans-49.8-45.6-178.6-1770000112.8T40 K42 M152V38-T40 VanDerWaalsContact C-N 3.31Å; V38-T40 PolarHBondContact O-N 2.94Å; V38-K42 VanDerWaalsContact O-CB 3.28Å; V38-K42 WeakPolarHBondContact O-CB 3.44Å; V38-K42 PolarHBondContact O-N 3.43Å; V38-M152 HydrophobicContact CB-CE 4.36Å; V38-M152 HydrophobicContact CG2-CE 3.56Å; V38-M152 HydrophobicContact CG2-SD 3.61Å
39T72.7Confident78.6Confident107 Ų10764.3 Ų64.366%0.65633%0.327SS*.Hα-helixtrans-68.3-30.7-178.251.40000112.6G37 K43G37-T39 VanDerWaalsContact C-N 3.29Å; G37-T39 PolarHBondContact O-N 3.13Å; T39-K43 VanDerWaalsContact O-CG 3.31Å; T39-K43 WeakPolarHBondContact O-CG 3.45Å
40T74.6Confident78.6Confident58 Ų5860.6 Ų60.636%0.35631%0.307SS..Hα-helixtrans-79.2-49.7177.9-51.80000110.5Y36 G37 V38 K42 K43 M44Y36-T40 HydrophobicContact CG-CG2 4.39Å; G37-T40 PolarHBondContact O-N 3.11Å; V38-T40 VanDerWaalsContact C-N 3.31Å; V38-T40 PolarHBondContact O-N 2.94Å; T40-K42 VanDerWaalsContact C-N 3.31Å; T40-K42 PolarHBondContact O-N 3.25Å; T40-K43 PolarHBondContact O-N 3.32Å; T40-K43 VanDerWaalsContact O-N 3.11Å; T40-M44 HydrophobicContact CG2-CG 4.24Å; T40-M44 VanDerWaalsContact O-CG 3.28Å; T40-M44 WeakPolarHBondContact O-CG 3.33Å; T40-M44 PolarHBondContact O-N 3.17Å
41C73.8Confident78.6Confident0 Ų060.6 Ų60.60%031%0.307CS..Hα-helixtrans-62.3-38.1179-76.20000112.6C34 G37 K43 M44 D45 E46 L47C34-C41 HydrophobicContact CB-CB 3.81Å; C34-C41 WeakPolarHBondContact CB-SG 3.27Å; C34-C41 WeakPolarHBondContact SG-CB 3.47Å; C34-C41 CovalentContact SG-SG 2Å; C34-C41 PolarHBondContact SG-SG 2.97Å; G37-C41 PolarHBondContact O-N 3.3Å; C41-K43 VanDerWaalsContact C-N 3.26Å; C41-K43 PolarHBondContact O-N 3.31Å; C41-M44 PolarHBondContact O-N 3.21Å; C41-D45 PolarHBondContact O-N 3.13Å; C41-E46 HydrophobicContact CB-CB 4.26Å; C41-E46 PolarHBondContact O-N 3.09Å; C41-L47 HydrophobicContact CB-CB 4.15Å; C41-L47 HydrophobicContact CB-CD1 4.36Å
42K73.5Confident78.5Confident96 Ų9660.7 Ų60.742%0.41731%0.308SS..Hα-helixtrans-64.4-32.3176.6-169.1171.2-176.4169.10112.7V38 T40 T60V38-K42 VanDerWaalsContact O-CB 3.28Å; V38-K42 WeakPolarHBondContact O-CB 3.44Å; V38-K42 PolarHBondContact O-N 3.43Å; T40-K42 VanDerWaalsContact C-N 3.31Å; T40-K42 PolarHBondContact O-N 3.25Å; K42-T60 HydrophobicContact CG-CG2 4.07Å; K42-T60 PolarHBondContact O-N 2.66Å
43K69.2Low78.6Confident167 Ų16762.7 Ų62.773%0.72631%0.312SS*.Hα-helixtrans-79.2-27.7176.1-75.9-175.3178.2-1720113.3T39 T40 C41T39-K43 VanDerWaalsContact O-CG 3.31Å; T39-K43 WeakPolarHBondContact O-CG 3.45Å; T40-K43 PolarHBondContact O-N 3.32Å; T40-K43 VanDerWaalsContact O-N 3.11Å; C41-K43 VanDerWaalsContact C-N 3.26Å; C41-K43 PolarHBondContact O-N 3.31Å
44M69.3Low78.9Confident123 Ų12365.6 Ų65.661%0.60633%0.325SS*.Hα-helixtrans-92.9-1-179.8-60.8-58.1-172.300113.3T40 C41 E46T40-M44 HydrophobicContact CG2-CG 4.24Å; T40-M44 VanDerWaalsContact O-CG 3.28Å; T40-M44 WeakPolarHBondContact O-CG 3.33Å; T40-M44 PolarHBondContact O-N 3.17Å; C41-M44 PolarHBondContact O-N 3.21Å; M44-E46 VanDerWaalsContact C-N 3.29Å; M44-E46 HydrophobicContact CB-CB 4.46Å; M44-E46 HydrophobicContact CB-CG 3.85Å; M44-E46 PolarHBondContact O-N 3.49Å
45D70.3Confident79.3Confident61 Ų6167.7 Ų67.733%0.32633%0.334SS..THydrogen-bonded Turntrans64.329.9-175.1-146.3-15.5000114.4C41 V57 S59C41-D45 PolarHBondContact O-N 3.13Å; D45-V57 WeakPolarHBondContact OD1-CG1 3.41Å; D45-S59 WeakPolarHBondContact OD1-CA 3.46Å; D45-S59 WeakPolarHBondContact OD1-CB 3.23Å; D45-S59 PolarHBondContact OD1-OG 3.44Å; D45-S59 WeakPolarHBondContact OD2-CB 3.22Å; D45-S59 PolarHBondContact OD2-OG 2.97Å
46E74.1Confident80.1Confident114 Ų11460.7 Ų60.753%0.53331%0.305SS..  trans-110.59.6-173.6-64.2-72.2157.500112.3C41 M44 Q48C41-E46 HydrophobicContact CB-CB 4.26Å; C41-E46 PolarHBondContact O-N 3.09Å; M44-E46 VanDerWaalsContact C-N 3.29Å; M44-E46 HydrophobicContact CB-CB 4.46Å; M44-E46 HydrophobicContact CB-CG 3.85Å; M44-E46 PolarHBondContact O-N 3.49Å; E46-Q48 PolarHBondContact O-N 2.94Å
47L81.3Confident80.7Confident17 Ų1756.5 Ų56.59%0.08929%0.294CS..EExtended strand (participates in β ladder)trans-87.2108.8178.9-171.470.9000109.3T32 C34 C41 I58 M152T32-L47 HydrophobicContact CG2-CD1 3.61Å; T32-L47 HydrophobicContact CG2-CG 4.13Å; C34-L47 HydrophobicContact CB-CD1 3.89Å; C41-L47 HydrophobicContact CB-CB 4.15Å; C41-L47 HydrophobicContact CB-CD1 4.36Å; L47-I58 HydrophobicContact CB-CB 4.44Å; L47-I58 WeakPolarHBondContact CB-O 3.23Å; L47-I58 HydrophobicContact CD2-CB 4.24Å; L47-I58 HydrophobicContact CD2-CG2 4.28Å; L47-I58 PolarHBondContact O-N 2.99Å; L47-M152 HydrophobicContact CD1-CE 3.52Å
48Q84.4Confident81.2Confident40 Ų4057.3 Ų57.319%0.18729%0.288CS..EExtended strand (participates in β ladder)trans-112.8125.2-175.6-161.4166.4-38.300110.4T32 M33 E46 K50 E55 C56 V57T32-Q48 CarbonylContact C-O 3.59Å; T32-Q48 WeakPolarHBondContact CA-O 3.4Å; M33-Q48 HydrophobicContact CB-CB 4.49Å; M33-Q48 PolarHBondContact N-O 3.25Å; M33-Q48 PolarHBondContact O-N 3.15Å; M33-Q48 VanDerWaalsContact O-N 3.1Å; E46-Q48 PolarHBondContact O-N 2.94Å; Q48-K50 HydrophobicContact CG-CG 4.39Å; Q48-E55 PolarHBondContact NE2-OE2 3.49Å; Q48-C56 CarbonylContact C-O 3.23Å; Q48-C56 WeakPolarHBondContact CA-O 3.1Å; Q48-V57 HydrophobicContact CG-CG2 4.38Å
49S87.9Confident81.5Confident6 Ų654.3 Ų54.34%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-95.6127.1167.6-165.50000108.2D29 V31 E55 C56D29-S49 PolarHBondContact OD1-OG 2.98Å; V31-S49 WeakPolarHBondContact O-CA 3.07Å; S49-E55 CarbonylContact O-C 3.59Å; S49-E55 WeakPolarHBondContact O-CA 3.1Å; S49-C56 PolarHBondContact N-O 3.42Å; S49-C56 PolarHBondContact O-N 2.94Å
50K89.2Confident81.7Confident16 Ų1654 Ų547%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-116.9135.2177.2-75.7-167.7174.4-175.20110.3N28 W30 V31 Q48 E55 F141 E148N28-K50 CarbonylContact O-C 3.55Å; W30-K50 WeakPolarHBondContact CB-O 3.4Å; W30-K50 PolarHBondContact N-O 2.84Å; V31-K50 HydrophobicContact CG2-CB 3.83Å; V31-K50 PolarHBondContact N-O 3.22Å; V31-K50 VanDerWaalsContact N-O 3.16Å; V31-K50 PolarHBondContact O-N 2.82Å; Q48-K50 HydrophobicContact CG-CG 4.39Å; K50-E55 VanDerWaalsContact CE-OE2 3.29Å; K50-E55 WeakPolarHBondContact CE-OE2 3.43Å; K50-E55 HydrophobicContact CG-CB 4.05Å; K50-E55 IonicContact NZ-OE2 3.19Å; K50-F141 HydrophobicContact CB-CZ 4.47Å; K50-E148 IonicContact NZ-OE2 3.44Å; K50-E148 PolarHBondContact NZ-OE2 3.34Å
51G91.8Very high81.9Confident0 Ų055.5 Ų55.50%029%0.287CS..  trans-123.3-178.4171.500000112.5N28 W53 E54 F68 F141N28-G51 WeakPolarHBondContact O-CA 3.23Å; N28-G51 PolarHBondContact O-N 3.18Å; G51-W53 VanDerWaalsContact C-N 3.33Å; G51-E54 WeakPolarHBondContact CA-O 3.4Å; G51-E54 PolarHBondContact N-O 2.87Å; G51-F68 WeakPolarHBondContact O-CE2 3.42Å; G51-F141 WeakPolarHBondContact O-CZ 3.28Å
52P90Very high82.1Confident3 Ų359.2 Ų59.22%0.01931%0.307CS..SBendtrans-72.8-21.9174.524.5-31.4000113.7W30 T81 R82W30-P52 HydrophobicContact CD2-CG 4.4Å; W30-P52 HydrophobicContact CZ2-CG 3.94Å; W30-P52 VanDerWaalsContact NE1-CD 3.27Å; P52-T81 HydrophobicContact CB-CG2 4.12Å; P52-R82 HydrophobicContact CB-CG 4.17Å; P52-R82 WeakPolarHBondContact O-CD 3.46Å; P52-R82 WeakPolarHBondContact O-CG 3.28Å
53W91.3Very high82.6Confident71 Ų7164 Ų6427%0.26932%0.324SS..SBendtrans-114.5-29.2-175.8-4798.6000114.2T25 N28 G51 F68 R82 I86T25-W53 HydrophobicContact CG2-CZ2 4Å; T25-W53 PolarHBondContact O-NE1 3Å; N28-W53 WeakPolarHBondContact OD1-CA 3.13Å; N28-W53 VanDerWaalsContact OD1-CB 3.23Å; N28-W53 WeakPolarHBondContact OD1-CB 3.4Å; N28-W53 PolarHBondContact OD1-N 3.03Å; G51-W53 VanDerWaalsContact C-N 3.33Å; W53-F68 VanDerWaalsContact C-CD2 3.41Å; W53-F68 WeakPolarHBondContact O-CD2 3.07Å; W53-F68 PolarHBondContact O-N 3.43Å; W53-R82 HydrophobicContact CE3-CG 4.44Å; W53-R82 VanDerWaalsContact CE3-NE 3.31Å; W53-R82 HydrophobicContact CZ3-CG 4.41Å; W53-R82 VanDerWaalsContact CZ3-NE 3.28Å; W53-I86 HydrophobicContact CH2-CD1 3.56Å; W53-I86 HydrophobicContact CH2-CG1 3.75Å; W53-I86 HydrophobicContact CZ2-CD1 4.44Å; W53-I86 HydrophobicContact CZ2-CG1 4.2Å; W53-I86 HydrophobicContact CZ3-CD1 4.32Å
54E90.7Very high83.5Confident64 Ų6461.1 Ų61.130%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-141.9158-179.478.5-156.816100111.3N28 G51 V66N28-E54 HydrophobicContact CB-CG 3.57Å; N28-E54 WeakPolarHBondContact CB-OE1 3.14Å; N28-E54 VanDerWaalsContact CG-CG 3.44Å; N28-E54 VanDerWaalsContact CG-OE1 3.26Å; N28-E54 WeakPolarHBondContact ND2-CG 3.19Å; N28-E54 PolarHBondContact ND2-OE1 2.87Å; N28-E54 PolarHBondContact OD1-N 2.99Å; G51-E54 WeakPolarHBondContact CA-O 3.4Å; G51-E54 PolarHBondContact N-O 2.87Å; E54-V66 WeakPolarHBondContact CA-O 3.34Å
55E89.6Confident84.4Confident55 Ų5558.6 Ų58.626%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-119.6141.5164.960.3-176.316300109.8Q48 S49 K50 C65 V66 F68Q48-E55 PolarHBondContact NE2-OE2 3.49Å; S49-E55 CarbonylContact O-C 3.59Å; S49-E55 WeakPolarHBondContact O-CA 3.1Å; K50-E55 VanDerWaalsContact CE-OE2 3.29Å; K50-E55 WeakPolarHBondContact CE-OE2 3.43Å; K50-E55 HydrophobicContact CG-CB 4.05Å; K50-E55 IonicContact NZ-OE2 3.19Å; E55-C65 CarbonylContact O-C 3.52Å; E55-C65 WeakPolarHBondContact O-CA 3.39Å; E55-V66 PolarHBondContact N-O 3.25Å; E55-V66 PolarHBondContact O-N 3.37Å; E55-F68 HydrophobicContact CB-CE1 4.14Å; E55-F68 HydrophobicContact CB-CZ 3.74Å; E55-F68 HydrophobicContact CG-CE1 3.71Å; E55-F68 HydrophobicContact CG-CZ 3.88Å
56C88.7Confident85.3Confident14 Ų1460.1 Ų60.110%0.09532%0.317CS..EExtended strand (participates in β ladder)trans-124.7134.4-178.4-58.10000110.5Q48 S49 H64 C65Q48-C56 CarbonylContact C-O 3.23Å; Q48-C56 WeakPolarHBondContact CA-O 3.1Å; S49-C56 PolarHBondContact N-O 3.42Å; S49-C56 PolarHBondContact O-N 2.94Å; C56-H64 CarbonylContact C-O 3.56Å; C56-H64 VanDerWaalsContact CA-O 3.27Å; C56-H64 WeakPolarHBondContact CA-O 3.42Å; C56-C65 HydrophobicContact CB-CB 4.08Å; C56-C65 WeakPolarHBondContact CB-SG 3.31Å; C56-C65 WeakPolarHBondContact SG-CB 3.38Å; C56-C65 CovalentContact SG-SG 2.04Å; C56-C65 PolarHBondContact SG-SG 3.45Å
57V86.9Confident86Confident53 Ų5357.3 Ų57.332%0.32131%0.314SS..EExtended strand (participates in β ladder)trans-99.2129.3169.2-176.20000108.4D45 Q48 H64D45-V57 WeakPolarHBondContact OD1-CG1 3.41Å; Q48-V57 HydrophobicContact CG-CG2 4.38Å; V57-H64 PolarHBondContact N-O 3.34Å; V57-H64 PolarHBondContact O-N 3.33Å; V57-H64 VanDerWaalsContact O-N 3.13Å
58I82.7Confident86.1Confident59 Ų5957.8 Ų57.830%0.30332%0.315SS..EExtended strand (participates in β ladder)trans-118105.3-173.6-55.8173.4000109.4L47L47-I58 HydrophobicContact CB-CB 4.44Å; L47-I58 WeakPolarHBondContact CB-O 3.23Å; L47-I58 HydrophobicContact CD2-CB 4.24Å; L47-I58 HydrophobicContact CD2-CG2 4.28Å; L47-I58 PolarHBondContact O-N 2.99Å
59S79.5Confident85.7Confident16 Ų1661.6 Ų61.611%0.11234%0.341CS..  trans-101.2177.3175.9-157.20000112.5D45 A61 L62D45-S59 WeakPolarHBondContact OD1-CA 3.46Å; D45-S59 WeakPolarHBondContact OD1-CB 3.23Å; D45-S59 PolarHBondContact OD1-OG 3.44Å; D45-S59 WeakPolarHBondContact OD2-CB 3.22Å; D45-S59 PolarHBondContact OD2-OG 2.97Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-L62 WeakPolarHBondContact CB-O 3.39Å; S59-L62 PolarHBondContact N-O 2.9Å
60T77.1Confident85.2Confident100 Ų10067.5 Ų67.561%0.61337%0.368SS*.SBendtrans-68.7-28.3162.542.70000113.6K42K42-T60 HydrophobicContact CG-CG2 4.07Å; K42-T60 PolarHBondContact O-N 2.66Å
61A78.9Confident84.2Confident90 Ų9071.3 Ų71.374%0.74439%0.388SS*.SBendtrans-110.3-9.7-173.700000113.9S59S59-A61 VanDerWaalsContact C-N 3.32Å
62L77.9Confident83Confident79 Ų7980 Ų8041%0.41443%0.434SS..  trans-149.6133.6-161.2-150.862.2000111.1S59 H64S59-L62 WeakPolarHBondContact CB-O 3.39Å; S59-L62 PolarHBondContact N-O 2.9Å; L62-H64 VanDerWaalsContact CD1-CE1 3.4Å; L62-H64 WeakPolarHBondContact CD1-CE1 3.36Å; L62-H64 WeakPolarHBondContact CD1-NE2 3.35Å; L62-H64 WeakPolarHBondContact CD2-CD2 3.16Å; L62-H64 VanDerWaalsContact CD2-NE2 3.28Å; L62-H64 WeakPolarHBondContact CD2-NE2 3.34Å; L62-H64 WeakPolarHBondContact CG-CD2 2.92Å; L62-H64 WeakPolarHBondContact CG-NE2 3.29Å
63Y84.1Confident82.1Confident197 Ų19787.4 Ų87.477%0.77347%0.468SS*.EExtended strand (participates in β ladder)trans-123.3110.9166.772-81.3000106.6
64H87.1Confident81.4Confident106 Ų10685.3 Ų85.349%0.49146%0.462SS..EExtended strand (participates in β ladder)trans-130.7120.5-176.1-77.2-19.9000109.8C56 V57 L62C56-H64 CarbonylContact C-O 3.56Å; C56-H64 VanDerWaalsContact CA-O 3.27Å; C56-H64 WeakPolarHBondContact CA-O 3.42Å; V57-H64 PolarHBondContact N-O 3.34Å; V57-H64 PolarHBondContact O-N 3.33Å; V57-H64 VanDerWaalsContact O-N 3.13Å; L62-H64 VanDerWaalsContact CD1-CE1 3.4Å; L62-H64 WeakPolarHBondContact CD1-CE1 3.36Å; L62-H64 WeakPolarHBondContact CD1-NE2 3.35Å; L62-H64 WeakPolarHBondContact CD2-CD2 3.16Å; L62-H64 VanDerWaalsContact CD2-NE2 3.28Å; L62-H64 WeakPolarHBondContact CD2-NE2 3.34Å; L62-H64 WeakPolarHBondContact CG-CD2 2.92Å; L62-H64 WeakPolarHBondContact CG-NE2 3.29Å
65C90.1Very high81.1Confident70 Ų7084.5 Ų84.547%0.47346%0.462SS..EExtended strand (participates in β ladder)trans-111.4133177.6-62.80000109.7E55 C56E55-C65 CarbonylContact O-C 3.52Å; E55-C65 WeakPolarHBondContact O-CA 3.39Å; C56-C65 HydrophobicContact CB-CB 4.08Å; C56-C65 WeakPolarHBondContact CB-SG 3.31Å; C56-C65 WeakPolarHBondContact SG-CB 3.38Å; C56-C65 CovalentContact SG-SG 2.04Å; C56-C65 PolarHBondContact SG-SG 3.45Å
66V88.8Confident80.9Confident92 Ų9285.1 Ų85.156%0.55848%0.477SS*.EExtended strand (participates in β ladder)trans-118.6122.4177.1-177.40000107.7E54 E55E54-V66 WeakPolarHBondContact CA-O 3.34Å; E55-V66 PolarHBondContact N-O 3.25Å; E55-V66 PolarHBondContact O-N 3.37Å
67A87.8Confident80.8Confident56 Ų5685.2 Ų85.246%0.46348%0.476SS..EExtended strand (participates in β ladder)trans-77.1143.4176.200000110.8T69A67-T69 PolarHBondContact O-N 2.85Å
68F84.4Confident80.9Confident26 Ų2682.8 Ų82.811%0.11446%0.461CS..  trans-74.990.9176.1-61-53.2000111.1G51 W53 E55 L74 I78G51-F68 WeakPolarHBondContact O-CE2 3.42Å; W53-F68 VanDerWaalsContact C-CD2 3.41Å; W53-F68 WeakPolarHBondContact O-CD2 3.07Å; W53-F68 PolarHBondContact O-N 3.43Å; E55-F68 HydrophobicContact CB-CE1 4.14Å; E55-F68 HydrophobicContact CB-CZ 3.74Å; E55-F68 HydrophobicContact CG-CE1 3.71Å; E55-F68 HydrophobicContact CG-CZ 3.88Å; F68-L74 HydrophobicContact CB-CD1 3.96Å; F68-L74 HydrophobicContact CB-CD2 3.87Å; F68-L74 HydrophobicContact CD1-CD1 3.31Å; F68-L74 HydrophobicContact CD2-CD1 4.36Å; F68-L74 HydrophobicContact CD2-CD2 4.29Å; F68-L74 HydrophobicContact CE1-CD1 3.79Å; F68-L74 HydrophobicContact CG-CD1 3.63Å; F68-L74 HydrophobicContact CG-CD2 4Å; F68-L74 HydrophobicContact CG-CG 4.48Å; F68-L74 HydrophobicContact CZ-CD1 4.49Å; F68-I78 HydrophobicContact CD2-CG2 4.36Å; F68-I78 HydrophobicContact CE2-CD1 4.12Å; F68-I78 HydrophobicContact CE2-CG2 4.4Å; F68-I78 HydrophobicContact CZ-CD1 4.03Å
69T76Confident81.3Confident121 Ų12184.7 Ų84.774%0.74247%0.468SS*.  trans-87.5-27.9-177.854.90000113.5A67A67-T69 PolarHBondContact O-N 2.85Å
70Q76.8Confident81.8Confident130 Ų13086.9 Ų86.961%0.60748%0.481SS*.  trans-102.5106.8-178.5-65.5-177.5-65.500111.1
71I69Low82.5Confident95 Ų9582.1 Ų82.149%0.48745%0.452SS..SBendtrans-73.3-29.1-175.3-58.3163.4000111.8
72L65.3Low83.2Confident182 Ų18280.3 Ų80.395%0.95343%0.426SS*.SBendtrans-80-19.2-171.4-143.375.2000114
73E71.6Confident84Confident160 Ų16078.8 Ų78.875%0.74843%0.425SS*.SBendtrans-103.2-2.5-177.3-144.1164.7166.400111.9
74L77.3Confident84.5Confident27 Ų2771.7 Ų71.714%0.14140%0.4CS..SBendtrans-85.1140.2-173.4-151.167.6000110.9F68 A76 I78F68-L74 HydrophobicContact CB-CD1 3.96Å; F68-L74 HydrophobicContact CB-CD2 3.87Å; F68-L74 HydrophobicContact CD1-CD1 3.31Å; F68-L74 HydrophobicContact CD2-CD1 4.36Å; F68-L74 HydrophobicContact CD2-CD2 4.29Å; F68-L74 HydrophobicContact CE1-CD1 3.79Å; F68-L74 HydrophobicContact CG-CD1 3.63Å; F68-L74 HydrophobicContact CG-CD2 4Å; F68-L74 HydrophobicContact CG-CG 4.48Å; F68-L74 HydrophobicContact CZ-CD1 4.49Å; L74-A76 PolarHBondContact O-N 3.32Å; L74-I78 HydrophobicContact CD1-CD1 4.38Å; L74-I78 HydrophobicContact CD2-CB 3.96Å; L74-I78 HydrophobicContact CD2-CG2 3.54Å; L74-I78 HydrophobicContact CG-CB 4.18Å; L74-I78 HydrophobicContact CG-CD1 4.23Å; L74-I78 HydrophobicContact CG-CG2 4.23Å
75P83.6Confident84.9Confident46 Ų4666.8 Ų66.830%0.29938%0.377SS..  trans-61.4141.6179.322.9-33.8000111.8Y77 I78 Q79P75-Y77 HydrophobicContact CB-CD1 3.68Å; P75-Y77 HydrophobicContact CB-CE1 3.47Å; P75-Y77 VanDerWaalsContact CB-CE1 3.47Å; P75-Y77 HydrophobicContact CG-CD1 4.11Å; P75-Y77 HydrophobicContact CG-CE1 3.49Å; P75-Y77 VanDerWaalsContact CG-CE1 3.49Å; P75-Y77 PolarHBondContact O-N 3.31Å; P75-I78 HydrophobicContact CG-CD1 3.67Å; P75-I78 HydrophobicContact CG-CG1 3.99Å; P75-I78 PolarHBondContact O-N 3.48Å; P75-Q79 PolarHBondContact O-N 2.93Å
76A85.8Confident85.2Confident69 Ų6966.5 Ų66.557%0.5737%0.37SS*.Hα-helixtrans-54.6-35.3-170.700000113.4L74 I78 Q79 T80L74-A76 PolarHBondContact O-N 3.32Å; A76-I78 VanDerWaalsContact C-N 3.28Å; A76-I78 PolarHBondContact O-N 2.88Å; A76-Q79 PolarHBondContact O-N 3.33Å; A76-T80 WeakPolarHBondContact O-CG2 3.29Å; A76-T80 PolarHBondContact O-N 3.43Å; A76-T80 PolarHBondContact O-OG1 2.7Å; A76-T80 VanDerWaalsContact O-OG1 3.11Å
77Y85.9Confident85.5Confident16 Ų1666.5 Ų66.56%0.06337%0.367CS..Hα-helixtrans-63.4-30.9-179.476.2-93.8000113.1P75 T80 T81 W140 F141 E148P75-Y77 HydrophobicContact CB-CD1 3.68Å; P75-Y77 HydrophobicContact CB-CE1 3.47Å; P75-Y77 VanDerWaalsContact CB-CE1 3.47Å; P75-Y77 HydrophobicContact CG-CD1 4.11Å; P75-Y77 HydrophobicContact CG-CE1 3.49Å; P75-Y77 VanDerWaalsContact CG-CE1 3.49Å; P75-Y77 PolarHBondContact O-N 3.31Å; Y77-T80 WeakPolarHBondContact CA-OG1 3.36Å; Y77-T80 PolarHBondContact O-OG1 2.9Å; Y77-T80 VanDerWaalsContact O-OG1 3.09Å; Y77-T81 VanDerWaalsContact O-CB 3.22Å; Y77-T81 WeakPolarHBondContact O-CB 3.47Å; Y77-T81 PolarHBondContact O-N 3.31Å; Y77-T81 VanDerWaalsContact O-N 3.13Å; Y77-T81 PolarHBondContact O-OG1 2.97Å; Y77-W140 VanDerWaalsContact CB-CD1 3.46Å; Y77-F141 AromaticContact CD2-CD2 3.85Å; Y77-F141 HydrophobicContact CD2-CD2 3.85Å; Y77-F141 HydrophobicContact CD2-CE2 4.33Å; Y77-F141 HydrophobicContact CD2-CG 4.36Å; Y77-F141 AromaticContact CE2-CD2 3.88Å; Y77-F141 HydrophobicContact CE2-CD2 3.88Å; Y77-F141 AromaticContact CE2-CE2 3.95Å; Y77-F141 HydrophobicContact CE2-CE2 3.95Å; Y77-F141 HydrophobicContact CE2-CG 4.39Å; Y77-E148 WeakPolarHBondContact CE1-OE1 3.14Å; Y77-E148 PolarHBondContact OH-OE1 3.42Å
78I89.1Confident85.9Confident2 Ų263.9 Ų63.91%0.0135%0.345CS..Hα-helixtrans-75.2-44.2176.9-58-177.8000109.5F68 L74 P75 A76 T81 R82 F141F68-I78 HydrophobicContact CD2-CG2 4.36Å; F68-I78 HydrophobicContact CE2-CD1 4.12Å; F68-I78 HydrophobicContact CE2-CG2 4.4Å; F68-I78 HydrophobicContact CZ-CD1 4.03Å; L74-I78 HydrophobicContact CD1-CD1 4.38Å; L74-I78 HydrophobicContact CD2-CB 3.96Å; L74-I78 HydrophobicContact CD2-CG2 3.54Å; L74-I78 HydrophobicContact CG-CB 4.18Å; L74-I78 HydrophobicContact CG-CD1 4.23Å; L74-I78 HydrophobicContact CG-CG2 4.23Å; P75-I78 HydrophobicContact CG-CD1 3.67Å; P75-I78 HydrophobicContact CG-CG1 3.99Å; P75-I78 PolarHBondContact O-N 3.48Å; A76-I78 VanDerWaalsContact C-N 3.28Å; A76-I78 PolarHBondContact O-N 2.88Å; I78-T81 WeakPolarHBondContact O-CB 3.27Å; I78-T81 PolarHBondContact O-N 3.2Å; I78-R82 WeakPolarHBondContact O-CG 3.33Å; I78-R82 PolarHBondContact O-N 3.11Å; I78-F141 HydrophobicContact CG1-CE2 4.07Å
79Q90.8Very high86.4Confident98 Ų9863.4 Ų63.446%0.45835%0.345SS..Hα-helixtrans-63-45.4179.4-169.9179.94.900111.9P75 A76 T81 R82 A83P75-Q79 PolarHBondContact O-N 2.93Å; A76-Q79 PolarHBondContact O-N 3.33Å; Q79-T81 VanDerWaalsContact C-N 3.29Å; Q79-T81 PolarHBondContact O-N 2.8Å; Q79-R82 PolarHBondContact O-N 2.82Å; Q79-A83 PolarHBondContact O-N 2.69Å
80T90.2Very high87.4Confident63 Ų6362.6 Ų62.639%0.38734%0.335SS..Hα-helixtrans-63.5-37.7175.555.50000111.4A76 Y77 A83 L84A76-T80 WeakPolarHBondContact O-CG2 3.29Å; A76-T80 PolarHBondContact O-N 3.43Å; A76-T80 PolarHBondContact O-OG1 2.7Å; A76-T80 VanDerWaalsContact O-OG1 3.11Å; Y77-T80 WeakPolarHBondContact CA-OG1 3.36Å; Y77-T80 PolarHBondContact O-OG1 2.9Å; Y77-T80 VanDerWaalsContact O-OG1 3.09Å; T80-A83 PolarHBondContact O-N 2.9Å; T80-L84 WeakPolarHBondContact O-CB 3.4Å; T80-L84 VanDerWaalsContact O-CG 3.31Å; T80-L84 WeakPolarHBondContact O-CG 3.25Å; T80-L84 PolarHBondContact O-N 2.94Å
81T92.8Very high88.3Confident0 Ų059.2 Ų59.20%032%0.32CS..Hα-helixtrans-61.7-49.1176.9-67.30000112W30 P52 Y77 I78 Q79 A83 L84 M85 P137 F141W30-T81 HydrophobicContact CH2-CG2 3.61Å; W30-T81 HydrophobicContact CZ2-CG2 4.4Å; W30-T81 HydrophobicContact CZ3-CG2 3.79Å; P52-T81 HydrophobicContact CB-CG2 4.12Å; Y77-T81 VanDerWaalsContact O-CB 3.22Å; Y77-T81 WeakPolarHBondContact O-CB 3.47Å; Y77-T81 PolarHBondContact O-N 3.31Å; Y77-T81 VanDerWaalsContact O-N 3.13Å; Y77-T81 PolarHBondContact O-OG1 2.97Å; I78-T81 WeakPolarHBondContact O-CB 3.27Å; I78-T81 PolarHBondContact O-N 3.2Å; Q79-T81 VanDerWaalsContact C-N 3.29Å; Q79-T81 PolarHBondContact O-N 2.8Å; T81-A83 PolarHBondContact O-N 2.69Å; T81-L84 PolarHBondContact O-N 3.35Å; T81-M85 HydrophobicContact CG2-CG 4.38Å; T81-M85 VanDerWaalsContact O-CB 3.3Å; T81-M85 WeakPolarHBondContact O-CB 3.35Å; T81-M85 WeakPolarHBondContact O-CG 3.38Å; T81-M85 PolarHBondContact O-N 3.46Å; T81-P137 HydrophobicContact CG2-CB 3.84Å; T81-F141 HydrophobicContact CG2-CD2 3.92Å
82R93.1Very high89.6Confident52 Ų5254.7 Ų54.720%0.19630%0.297CS..Hα-helixtrans-58.8-49.3176.5-68.6172.274.31781.2111.1P52 W53 I78 Q79 L84 M85 I86P52-R82 HydrophobicContact CB-CG 4.17Å; P52-R82 WeakPolarHBondContact O-CD 3.46Å; P52-R82 WeakPolarHBondContact O-CG 3.28Å; W53-R82 HydrophobicContact CE3-CG 4.44Å; W53-R82 VanDerWaalsContact CE3-NE 3.31Å; W53-R82 HydrophobicContact CZ3-CG 4.41Å; W53-R82 VanDerWaalsContact CZ3-NE 3.28Å; I78-R82 WeakPolarHBondContact O-CG 3.33Å; I78-R82 PolarHBondContact O-N 3.11Å; Q79-R82 PolarHBondContact O-N 2.82Å; R82-L84 PolarHBondContact O-N 3.3Å; R82-M85 PolarHBondContact O-N 2.87Å; R82-I86 HydrophobicContact CB-CD1 4.48Å; R82-I86 WeakPolarHBondContact O-CB 3.34Å; R82-I86 VanDerWaalsContact O-CD1 3.27Å; R82-I86 WeakPolarHBondContact O-CD1 3.25Å; R82-I86 WeakPolarHBondContact O-CG1 3.35Å; R82-I86 PolarHBondContact O-N 3.34Å
83A93.8Very high91.1Very high47 Ų4750.3 Ų50.339%0.38827%0.274SS..Hα-helixtrans-59-49.8-178.700000111.9Q79 T80 T81 L87Q79-A83 PolarHBondContact O-N 2.69Å; T80-A83 PolarHBondContact O-N 2.9Å; T81-A83 PolarHBondContact O-N 2.69Å; A83-L87 WeakPolarHBondContact O-CB 2.94Å; A83-L87 WeakPolarHBondContact O-CG 3.23Å; A83-L87 PolarHBondContact O-N 2.04Å
84L95.4Very high92.3Very high48 Ų4845.6 Ų45.625%0.25126%0.257SS..Hα-helixtrans-67.5-41.2-178-69.1174.7000112.7T80 T81 R82 L87 G88 C133 V136 P137T80-L84 WeakPolarHBondContact O-CB 3.4Å; T80-L84 VanDerWaalsContact O-CG 3.31Å; T80-L84 WeakPolarHBondContact O-CG 3.25Å; T80-L84 PolarHBondContact O-N 2.94Å; T81-L84 PolarHBondContact O-N 3.35Å; R82-L84 PolarHBondContact O-N 3.3Å; L84-L87 PolarHBondContact O-N 3.03Å; L84-G88 PolarHBondContact O-N 2.91Å; L84-C133 WeakPolarHBondContact CB-O 3.18Å; L84-V136 HydrophobicContact CD1-CB 4.07Å; L84-V136 HydrophobicContact CD1-CG1 3.69Å; L84-P137 HydrophobicContact CB-CG 4.08Å
85M95.6Very high93.2Very high2 Ų244.3 Ų44.31%0.0125%0.25CS..Hα-helixtrans-67.1-40.1177.9-75.7-57.8-127.200112.5V21 A24 T25 W30 T81 R82 S89 A134 P137 T138V21-M85 HydrophobicContact CG1-SD 4.3Å; A24-M85 HydrophobicContact CB-CE 4Å; T25-M85 HydrophobicContact CG2-CB 3.9Å; W30-M85 HydrophobicContact CH2-CE 3.31Å; W30-M85 HydrophobicContact CH2-CG 3.96Å; W30-M85 HydrophobicContact CH2-SD 4.35Å; W30-M85 HydrophobicContact CZ2-CE 3.43Å; W30-M85 VanDerWaalsContact CZ2-CE 3.43Å; W30-M85 HydrophobicContact CZ2-CG 4.26Å; W30-M85 HydrophobicContact CZ3-CE 4.48Å; T81-M85 HydrophobicContact CG2-CG 4.38Å; T81-M85 VanDerWaalsContact O-CB 3.3Å; T81-M85 WeakPolarHBondContact O-CB 3.35Å; T81-M85 WeakPolarHBondContact O-CG 3.38Å; T81-M85 PolarHBondContact O-N 3.46Å; R82-M85 PolarHBondContact O-N 2.87Å; M85-S89 VanDerWaalsContact O-CB 3.31Å; M85-S89 WeakPolarHBondContact O-CB 3.49Å; M85-S89 PolarHBondContact O-N 3.46Å; M85-S89 PolarHBondContact O-OG 2.95Å; M85-A134 HydrophobicContact SD-CB 4.14Å; M85-P137 HydrophobicContact CG-CB 4.38Å; M85-P137 HydrophobicContact CG-CG 3.94Å; M85-P137 HydrophobicContact SD-CG 3.91Å; M85-T138 HydrophobicContact CE-CG2 3.86Å
86I96Very high93.8Very high64 Ų6443.3 Ų43.333%0.32824%0.243SC..Hα-helixtrans-64.3-47.7173.9-65.3163000110.3W53 R82 G88 S89 I90W53-I86 HydrophobicContact CH2-CD1 3.56Å; W53-I86 HydrophobicContact CH2-CG1 3.75Å; W53-I86 HydrophobicContact CZ2-CD1 4.44Å; W53-I86 HydrophobicContact CZ2-CG1 4.2Å; W53-I86 HydrophobicContact CZ3-CD1 4.32Å; R82-I86 HydrophobicContact CB-CD1 4.48Å; R82-I86 WeakPolarHBondContact O-CB 3.34Å; R82-I86 VanDerWaalsContact O-CD1 3.27Å; R82-I86 WeakPolarHBondContact O-CD1 3.25Å; R82-I86 WeakPolarHBondContact O-CG1 3.35Å; R82-I86 PolarHBondContact O-N 3.34Å; I86-G88 PolarHBondContact O-N 3.48Å; I86-S89 PolarHBondContact O-N 2.96Å; I86-I90 HydrophobicContact CG2-CD1 3.67Å; I86-I90 HydrophobicContact CG2-CG1 4.34Å; I86-I90 WeakPolarHBondContact O-CG1 3.46Å; I86-I90 PolarHBondContact O-N 2.97Å
87L96.3Very high94.2Very high93 Ų9344.6 Ų44.649%0.48724%0.239SC..Hα-helixtrans-60-46.8179-74.8171.1000111.2A83 L84 S89 I90 M91A83-L87 WeakPolarHBondContact O-CB 2.94Å; A83-L87 WeakPolarHBondContact O-CG 3.23Å; A83-L87 PolarHBondContact O-N 2.04Å; L84-L87 PolarHBondContact O-N 3.03Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.48Å; L87-I90 PolarHBondContact O-N 3Å; L87-M91 VanDerWaalsContact O-CB 3.29Å; L87-M91 WeakPolarHBondContact O-CB 3.5Å; L87-M91 VanDerWaalsContact O-CG 3.25Å; L87-M91 WeakPolarHBondContact O-CG 3.46Å; L87-M91 PolarHBondContact O-N 3.19Å
88G95.4Very high94.6Very high0 Ų045.6 Ų45.60%025%0.246CC..Hα-helixtrans-59.3-43.2174.900000112.3L84 I86 M91 G92 V130L84-G88 PolarHBondContact O-N 2.91Å; I86-G88 PolarHBondContact O-N 3.48Å; G88-M91 PolarHBondContact O-N 2.97Å; G88-G92 PolarHBondContact O-N 3.43Å; G88-V130 WeakPolarHBondContact O-CG1 3.38Å; G88-V130 WeakPolarHBondContact O-CG2 3.47Å
89S95.7Very high94.8Very high17 Ų1745.5 Ų45.512%0.11925%0.245CC..Hα-helixtrans-63-45.2178.4-63.60000112.3W18 T25 M85 I86 L87 G92W18-S89 PolarHBondContact NE1-O 3.4Å; T25-S89 PolarHBondContact OG1-OG 2.8Å; M85-S89 VanDerWaalsContact O-CB 3.31Å; M85-S89 WeakPolarHBondContact O-CB 3.49Å; M85-S89 PolarHBondContact O-N 3.46Å; M85-S89 PolarHBondContact O-OG 2.95Å; I86-S89 PolarHBondContact O-N 2.96Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.48Å; S89-G92 PolarHBondContact O-N 3.33Å
90I96.8Very high94.9Very high103 Ų10344.6 Ų44.653%0.52824%0.243SC..Hα-helixtrans-68.7-41.8178.7-66.8172000111I86 L87 G92 L93 P94I86-I90 HydrophobicContact CG2-CD1 3.67Å; I86-I90 HydrophobicContact CG2-CG1 4.34Å; I86-I90 WeakPolarHBondContact O-CG1 3.46Å; I86-I90 PolarHBondContact O-N 2.97Å; L87-I90 PolarHBondContact O-N 3Å; I90-G92 VanDerWaalsContact C-N 3.29Å; I90-G92 PolarHBondContact O-N 3.18Å; I90-L93 PolarHBondContact O-N 3.18Å; I90-P94 WeakPolarHBondContact O-CD 3.44Å
91M95.7Very high94.9Very high59 Ų5944.6 Ų44.629%0.29124%0.239SC..Hα-helixtrans-68.6-26.5178.9-74.3-175.762.700113.2L87 G88 P94 A95 L126 V129 V130L87-M91 VanDerWaalsContact O-CB 3.29Å; L87-M91 WeakPolarHBondContact O-CB 3.5Å; L87-M91 VanDerWaalsContact O-CG 3.25Å; L87-M91 WeakPolarHBondContact O-CG 3.46Å; L87-M91 PolarHBondContact O-N 3.19Å; G88-M91 PolarHBondContact O-N 2.97Å; M91-P94 VanDerWaalsContact O-CD 3.26Å; M91-P94 WeakPolarHBondContact O-CD 3.04Å; M91-P94 VanDerWaalsContact O-CG 3.31Å; M91-P94 WeakPolarHBondContact O-CG 3.25Å; M91-A95 PolarHBondContact O-N 3.5Å; M91-L126 HydrophobicContact CE-CD2 3.96Å; M91-V129 HydrophobicContact CE-CB 4.19Å; M91-V129 HydrophobicContact CE-CG1 3.56Å; M91-V129 HydrophobicContact SD-CG1 4.3Å; M91-V130 HydrophobicContact CB-CG2 3.84Å
92G96.1Very high94.6Very high0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-69.7-29176.800000114.1G88 S89 I90 A95 V96G88-G92 PolarHBondContact O-N 3.43Å; S89-G92 PolarHBondContact O-N 3.33Å; I90-G92 VanDerWaalsContact C-N 3.29Å; I90-G92 PolarHBondContact O-N 3.18Å; G92-A95 WeakPolarHBondContact O-CB 3.44Å; G92-A95 PolarHBondContact O-N 3.42Å; G92-V96 WeakPolarHBondContact O-CG2 3.45Å; G92-V96 PolarHBondContact O-N 2.96Å
93L96.3Very high94.4Very high91 Ų9142.7 Ų42.748%0.47623%0.233SC..Hα-helixtrans-56.3-59.8175.1-78.8168000113.2W18 I90 A95 V96 I97W18-L93 HydrophobicContact CH2-CD2 3.29Å; W18-L93 HydrophobicContact CH2-CG 3.88Å; W18-L93 HydrophobicContact CZ2-CB 4.43Å; W18-L93 HydrophobicContact CZ2-CD2 3.54Å; W18-L93 HydrophobicContact CZ2-CG 3.54Å; W18-L93 HydrophobicContact CZ3-CD2 4.37Å; I90-L93 PolarHBondContact O-N 3.18Å; L93-A95 PolarHBondContact O-N 2.87Å; L93-V96 PolarHBondContact O-N 2.86Å; L93-I97 WeakPolarHBondContact O-CG1 3.38Å; L93-I97 PolarHBondContact O-N 3.28Å; L93-I97 VanDerWaalsContact O-N 3.1Å
94P96.6Very high93.6Very high61 Ų6143.6 Ų43.640%0.39624%0.235SC..Hα-helixtrans-64.6-31.3178.526.4-34.1000111.8I90 M91 I97 L98I90-P94 WeakPolarHBondContact O-CD 3.44Å; M91-P94 VanDerWaalsContact O-CD 3.26Å; M91-P94 WeakPolarHBondContact O-CD 3.04Å; M91-P94 VanDerWaalsContact O-CG 3.31Å; M91-P94 WeakPolarHBondContact O-CG 3.25Å; P94-I97 PolarHBondContact O-N 3.31Å; P94-L98 WeakPolarHBondContact O-CB 3.33Å; P94-L98 VanDerWaalsContact O-CG 3.25Å; P94-L98 WeakPolarHBondContact O-CG 3.27Å; P94-L98 PolarHBondContact O-N 2.97Å
95A96.2Very high92.8Very high0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-61.5-50.8175.800000111.5M91 G92 L93 I97 L98 L99 L126 M127M91-A95 PolarHBondContact O-N 3.5Å; G92-A95 WeakPolarHBondContact O-CB 3.44Å; G92-A95 PolarHBondContact O-N 3.42Å; L93-A95 PolarHBondContact O-N 2.87Å; A95-I97 VanDerWaalsContact C-N 3.32Å; A95-I97 PolarHBondContact O-N 2.81Å; A95-L98 PolarHBondContact O-N 2.93Å; A95-L99 VanDerWaalsContact O-CG 3.25Å; A95-L99 WeakPolarHBondContact O-CG 3.08Å; A95-L99 PolarHBondContact O-N 3.42Å; A95-L126 HydrophobicContact CB-CB 3.61Å; A95-L126 HydrophobicContact CB-CD1 4.3Å; A95-M127 HydrophobicContact CB-CG 4.1Å; A95-M127 HydrophobicContact CB-SD 3.53Å; A95-M127 VanDerWaalsContact CB-SD 3.53Å
96V96.3Very high91.9Very high24 Ų2449.6 Ų49.615%0.14528%0.275CS..Hα-helixtrans-62.5-39.1178.1172.40000111.5F11 W18 G92 L93 L99 L100 M127F11-V96 HydrophobicContact CE2-CG1 4.23Å; W18-V96 HydrophobicContact CD2-CG2 4.16Å; W18-V96 HydrophobicContact CE3-CG2 3.79Å; W18-V96 HydrophobicContact CG-CG2 4.47Å; W18-V96 HydrophobicContact CZ3-CG2 4.46Å; G92-V96 WeakPolarHBondContact O-CG2 3.45Å; G92-V96 PolarHBondContact O-N 2.96Å; L93-V96 PolarHBondContact O-N 2.86Å; V96-L99 PolarHBondContact O-N 2.94Å; V96-L100 WeakPolarHBondContact O-CB 3.49Å; V96-L100 PolarHBondContact O-N 2.92Å; V96-M127 HydrophobicContact CG2-SD 4.28Å
97I95.3Very high90.6Very high96 Ų9650.9 Ų50.949%0.49229%0.29SS..Hα-helixtrans-62.4-47175.5-66.7166.5000110.9L93 P94 A95 L99 L100 M101L93-I97 WeakPolarHBondContact O-CG1 3.38Å; L93-I97 PolarHBondContact O-N 3.28Å; L93-I97 VanDerWaalsContact O-N 3.1Å; P94-I97 PolarHBondContact O-N 3.31Å; A95-I97 VanDerWaalsContact C-N 3.32Å; A95-I97 PolarHBondContact O-N 2.81Å; I97-L99 VanDerWaalsContact C-N 3.3Å; I97-L99 PolarHBondContact O-N 3.48Å; I97-L100 WeakPolarHBondContact O-CB 3.18Å; I97-L100 PolarHBondContact O-N 2.91Å; I97-M101 HydrophobicContact CG2-SD 4.21Å; I97-M101 WeakPolarHBondContact O-CG 3.21Å; I97-M101 PolarHBondContact O-N 3.41Å
98L93.2Very high89.5Confident38 Ų3850 Ų5020%0.19928%0.284CS..Hα-helixtrans-60.4-41.3177.2-74.2170.4000111.8P94 A95 M101 S102 L122 L126P94-L98 WeakPolarHBondContact O-CB 3.33Å; P94-L98 VanDerWaalsContact O-CG 3.25Å; P94-L98 WeakPolarHBondContact O-CG 3.27Å; P94-L98 PolarHBondContact O-N 2.97Å; A95-L98 PolarHBondContact O-N 2.93Å; L98-M101 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-N 3.32Å; L98-L122 HydrophobicContact CD1-CD2 3.88Å; L98-L122 HydrophobicContact CD1-CG 3.98Å; L98-L126 HydrophobicContact CD1-CD1 3.76Å
99L93.3Very high88.4Confident0 Ų052.9 Ų52.90%031%0.314CS..Hα-helixtrans-67.7-39.7177.5-66.4177.2000112.2F11 A95 V96 I97 M101 S102 M127 L175F11-L99 HydrophobicContact CD2-CB 3.72Å; F11-L99 HydrophobicContact CE2-CB 4.28Å; A95-L99 VanDerWaalsContact O-CG 3.25Å; A95-L99 WeakPolarHBondContact O-CG 3.08Å; A95-L99 PolarHBondContact O-N 3.42Å; V96-L99 PolarHBondContact O-N 2.94Å; I97-L99 VanDerWaalsContact C-N 3.3Å; I97-L99 PolarHBondContact O-N 3.48Å; L99-M101 VanDerWaalsContact C-N 3.35Å; L99-M101 PolarHBondContact O-N 3.15Å; L99-S102 WeakPolarHBondContact O-CB 3.43Å; L99-S102 PolarHBondContact O-N 3.36Å; L99-S102 VanDerWaalsContact O-N 3.1Å; L99-S102 PolarHBondContact O-OG 2.92Å; L99-M127 HydrophobicContact CD1-CG 3.66Å; L99-M127 HydrophobicContact CD1-SD 4.39Å; L99-L175 HydrophobicContact CD1-CD1 3.48Å; L99-L175 VanDerWaalsContact CD1-CD1 3.48Å; L99-L175 HydrophobicContact CD2-CD1 3.53Å; L99-L175 HydrophobicContact CD2-CD2 4.13Å; L99-L175 HydrophobicContact CD2-CG 4.28Å; L99-L175 HydrophobicContact CG-CD1 4.09Å
100L92.9Very high87.1Confident79 Ų7960.2 Ų60.241%0.41435%0.352SS..Hα-helixtrans-59.4-47.1173.1-174.867.8000110.5F11 V96 I97 S102 M103 I106F11-L100 HydrophobicContact CE2-CB 4.15Å; F11-L100 HydrophobicContact CE2-CD1 4.37Å; F11-L100 HydrophobicContact CZ-CB 4.45Å; F11-L100 HydrophobicContact CZ-CD1 3.85Å; V96-L100 WeakPolarHBondContact O-CB 3.49Å; V96-L100 PolarHBondContact O-N 2.92Å; I97-L100 WeakPolarHBondContact O-CB 3.18Å; I97-L100 PolarHBondContact O-N 2.91Å; L100-S102 PolarHBondContact O-N 3.01Å; L100-M103 WeakPolarHBondContact O-CB 3.42Å; L100-M103 PolarHBondContact O-N 3.49Å; L100-I106 HydrophobicContact CD1-CD1 3.46Å; L100-I106 VanDerWaalsContact CD1-CD1 3.46Å; L100-I106 HydrophobicContact CG-CD1 3.62Å; L100-I106 WeakPolarHBondContact O-CD1 3.35Å
101M90.3Very high86.1Confident62 Ų6257.7 Ų57.731%0.30534%0.34SS..Hα-helixtrans-68-13.2176.6-65.5-18085.600114.2I97 L98 L99 I108I97-M101 HydrophobicContact CG2-SD 4.21Å; I97-M101 WeakPolarHBondContact O-CG 3.21Å; I97-M101 PolarHBondContact O-N 3.41Å; L98-M101 PolarHBondContact O-N 3.3Å; L99-M101 VanDerWaalsContact C-N 3.35Å; L99-M101 PolarHBondContact O-N 3.15Å; M101-I108 HydrophobicContact CB-CD1 4.43Å; M101-I108 HydrophobicContact CE-CD1 3.35Å; M101-I108 HydrophobicContact CG-CD1 4.13Å
102S87.4Confident85.4Confident2 Ų258 Ų581%0.01435%0.351CS..Hα-helixtrans-85-16177.280.70000113.2Q7 L98 L99 L100Q7-S102 PolarHBondContact NE2-O 3.37Å; Q7-S102 PolarHBondContact NE2-OG 3.37Å; L98-S102 PolarHBondContact O-N 3.32Å; L99-S102 WeakPolarHBondContact O-CB 3.43Å; L99-S102 PolarHBondContact O-N 3.36Å; L99-S102 VanDerWaalsContact O-N 3.1Å; L99-S102 PolarHBondContact O-OG 2.92Å; L100-S102 PolarHBondContact O-N 3.01Å
103M87.2Confident84.6Confident11 Ų1164.2 Ų64.25%0.05438%0.381CS..  trans-66.3141.9-172.3-76-65162.800113.2Q7 L8 F11 L100 C105 I106Q7-M103 HydrophobicContact CG-CE 4.14Å; Q7-M103 HydrophobicContact CG-SD 4.22Å; Q7-M103 WeakPolarHBondContact O-CE 3.47Å; L8-M103 HydrophobicContact CD1-SD 4.5Å; F11-M103 HydrophobicContact CB-CE 2.99Å; F11-M103 HydrophobicContact CD1-CE 3.84Å; F11-M103 HydrophobicContact CD2-CE 4.09Å; F11-M103 HydrophobicContact CG-CE 3.39Å; L100-M103 WeakPolarHBondContact O-CB 3.42Å; L100-M103 PolarHBondContact O-N 3.49Å; M103-C105 PolarHBondContact O-N 3.46Å; M103-I106 HydrophobicContact CB-CD1 4.4Å; M103-I106 PolarHBondContact O-N 3.06Å; M103-I106 VanDerWaalsContact O-N 3.17Å
104P77.7Confident83.9Confident65 Ų6563.4 Ų63.442%0.42238%0.383SS..THydrogen-bonded Turntrans-64.3-27.6177.325.6-33.2000112.7I106P104-I106 VanDerWaalsContact C-N 3.25Å; P104-I106 PolarHBondContact O-N 2.89Å
105C77.9Confident83.3Confident119 Ų11962.1 Ų62.180%0.80438%0.377SS*.THydrogen-bonded Turntrans-73.8-14.3179.1-510000113.6M103M103-C105 PolarHBondContact O-N 3.46Å
106I77.1Confident82.8Confident57 Ų5763 Ų6329%0.29238%0.381SS..  trans-106.5103-179.2-68.5168.6000107.6L100 M103 P104 I108L100-I106 HydrophobicContact CD1-CD1 3.46Å; L100-I106 VanDerWaalsContact CD1-CD1 3.46Å; L100-I106 HydrophobicContact CG-CD1 3.62Å; L100-I106 WeakPolarHBondContact O-CD1 3.35Å; M103-I106 HydrophobicContact CB-CD1 4.4Å; M103-I106 PolarHBondContact O-N 3.06Å; M103-I106 VanDerWaalsContact O-N 3.17Å; P104-I106 VanDerWaalsContact C-N 3.25Å; P104-I106 PolarHBondContact O-N 2.89Å; I106-I108 HydrophobicContact CG2-CD1 4.32Å; I106-I108 HydrophobicContact CG2-CG1 4.09Å
107S69.3Low82.4Confident92 Ų9263.4 Ų63.464%0.64338%0.382SS*.  trans-9899.3176.4-159.70000109.9G109S107-G109 PolarHBondContact O-N 2.84Å; S107-G109 PolarHBondContact OG-O 3.23Å
108I72.7Confident82.1Confident73 Ų7365.7 Ų65.737%0.37439%0.388SS..  trans-87.790.9167.8-60.8169000106.5M101 I106 D111M101-I108 HydrophobicContact CB-CD1 4.43Å; M101-I108 HydrophobicContact CE-CD1 3.35Å; M101-I108 HydrophobicContact CG-CD1 4.13Å; I106-I108 HydrophobicContact CG2-CD1 4.32Å; I106-I108 HydrophobicContact CG2-CG1 4.09Å; I108-D111 WeakPolarHBondContact O-CB 3.44Å; I108-D111 VanDerWaalsContact O-CG 3.32Å
109G72.8Confident82Confident61 Ų6166.6 Ų66.663%0.62939%0.389SS*.THydrogen-bonded Turntrans58-143.317900000114.2S107 D111S107-G109 PolarHBondContact O-N 2.84Å; S107-G109 PolarHBondContact OG-O 3.23Å; G109-D111 VanDerWaalsContact C-N 3.3Å; G109-D111 PolarHBondContact O-N 2.71Å
110N67.6Low82Confident171 Ų17166.7 Ų66.791%0.91439%0.39SS*.THydrogen-bonded Turntrans-93.544.8-179.7-160.948.2000112A112N110-A112 PolarHBondContact O-N 3.38Å
111D75.8Confident81.9Confident51 Ų5165.7 Ų65.727%0.27338%0.384SS..  trans-63.5123.7-178.7-98.5-12000111I108 G109 R119I108-D111 WeakPolarHBondContact O-CB 3.44Å; I108-D111 VanDerWaalsContact O-CG 3.32Å; G109-D111 VanDerWaalsContact C-N 3.3Å; G109-D111 PolarHBondContact O-N 2.71Å; D111-R119 IonicContact OD1-NH2 2.79Å; D111-R119 IonicContact OD2-CZ 2.65Å; D111-R119 IonicContact OD2-NH1 3.83Å; D111-R119 PolarHBondContact OD2-NH1 2.89Å; D111-R119 IonicContact OD2-NH2 3.94Å; D111-R119 PolarHBondContact OD2-NH2 3.44Å
112A80.9Confident82.2Confident64 Ų6467.3 Ų67.353%0.52939%0.394SS..  trans-61.3140.3176.100000111.1N110 S114 A115 K116N110-A112 PolarHBondContact O-N 3.38Å; A112-S114 PolarHBondContact O-N 3.37Å; A112-S114 VanDerWaalsContact O-N 3.08Å; A112-A115 WeakPolarHBondContact O-CB 3.48Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-K116 PolarHBondContact O-N 2.65Å
113Q79.5Confident82.5Confident132 Ų13267.2 Ų67.262%0.61739%0.393SS*.Hα-helixtrans-56.2-31.2179.7-169.863.311.900112.8A115 K116 N117Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 2.9Å; Q113-K116 PolarHBondContact O-N 3.16Å; Q113-N117 PolarHBondContact O-N 2.87Å
114S81.4Confident82.9Confident74 Ų7466.7 Ų66.752%0.51739%0.39SS..Hα-helixtrans-60.8-39.1173.6-177.70000112.8A112 N117 K118A112-S114 PolarHBondContact O-N 3.37Å; A112-S114 VanDerWaalsContact O-N 3.08Å; S114-N117 PolarHBondContact O-N 3.27Å; S114-K118 WeakPolarHBondContact O-CG 3.31Å; S114-K118 PolarHBondContact O-N 3.27Å
115A85.7Confident83.8Confident33 Ų3367 Ų6727%0.27339%0.391SS..Hα-helixtrans-68.2-41.4178.400000111.4A112 Q113 N117 K118 R119A112-A115 WeakPolarHBondContact O-CB 3.48Å; A112-A115 PolarHBondContact O-N 2.85Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 2.9Å; A115-N117 VanDerWaalsContact C-N 3.32Å; A115-N117 PolarHBondContact O-N 3.25Å; A115-K118 PolarHBondContact O-N 2.92Å; A115-R119 WeakPolarHBondContact O-CG 3.5Å; A115-R119 PolarHBondContact O-N 3.42Å; A115-R119 VanDerWaalsContact O-N 3.09Å
116K85.1Confident84.7Confident20 Ų2063.2 Ų63.29%0.08736%0.363CS..Hα-helixtrans-61.2-41.1174.4-62.1-173.1-177-171.30111.6A112 Q113 R119 A120A112-K116 PolarHBondContact O-N 2.65Å; Q113-K116 PolarHBondContact O-N 3.16Å; K116-R119 PolarHBondContact O-N 3.44Å; K116-A120 PolarHBondContact O-N 3.21Å
117N87.1Confident85.7Confident31 Ų3160.5 Ų60.517%0.16635%0.349CS..Hα-helixtrans-63.3-45.4177.6-161.539.5000112.4Q113 S114 A115 R119 A120 I121 S179Q113-N117 PolarHBondContact O-N 2.87Å; S114-N117 PolarHBondContact O-N 3.27Å; A115-N117 VanDerWaalsContact C-N 3.32Å; A115-N117 PolarHBondContact O-N 3.25Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 PolarHBondContact O-N 2.74Å; N117-A120 WeakPolarHBondContact O-CB 3.36Å; N117-A120 PolarHBondContact O-N 3.4Å; N117-I121 WeakPolarHBondContact O-CG1 3.3Å; N117-I121 PolarHBondContact O-N 2.84Å; N117-S179 PolarHBondContact ND2-O 3.48Å; N117-S179 WeakPolarHBondContact OD1-CA 3.35Å; N117-S179 WeakPolarHBondContact OD1-CB 3.47Å; N117-S179 PolarHBondContact OD1-OG 3.1Å
118K89.4Confident87Confident145 Ų14558 Ų5863%0.6333%0.329SS*.Hα-helixtrans-60.8-39176.4-70.8178-177-171.60112.2S114 A115 I121 L122S114-K118 WeakPolarHBondContact O-CG 3.31Å; S114-K118 PolarHBondContact O-N 3.27Å; A115-K118 PolarHBondContact O-N 2.92Å; K118-I121 PolarHBondContact O-N 2.88Å; K118-L122 WeakPolarHBondContact O-CB 3.47Å; K118-L122 PolarHBondContact O-N 3.34Å
119R91.6Very high88.2Confident57 Ų5757 Ų5722%0.21533%0.326CS..Hα-helixtrans-64.9-40.6175-68.7175.8-170.6156.86.4111.9D111 A115 K116 N117 G123D111-R119 IonicContact OD1-NH2 2.79Å; D111-R119 IonicContact OD2-CZ 2.65Å; D111-R119 IonicContact OD2-NH1 3.83Å; D111-R119 PolarHBondContact OD2-NH1 2.89Å; D111-R119 IonicContact OD2-NH2 3.94Å; D111-R119 PolarHBondContact OD2-NH2 3.44Å; A115-R119 WeakPolarHBondContact O-CG 3.5Å; A115-R119 PolarHBondContact O-N 3.42Å; A115-R119 VanDerWaalsContact O-N 3.09Å; K116-R119 PolarHBondContact O-N 3.44Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 PolarHBondContact O-N 2.74Å; R119-G123 PolarHBondContact O-N 3.44Å
120A92Very high89.4Confident1 Ų154 Ų541%0.00830%0.296CS..Hα-helixtrans-62.5-45.5175.200000111.9K116 N117 G123 G124 M176 S179K116-A120 PolarHBondContact O-N 3.21Å; N117-A120 WeakPolarHBondContact O-CB 3.36Å; N117-A120 PolarHBondContact O-N 3.4Å; A120-G123 PolarHBondContact O-N 2.94Å; A120-G124 PolarHBondContact O-N 3.48Å; A120-M176 VanDerWaalsContact O-CE 3.25Å; A120-M176 WeakPolarHBondContact O-CE 3.39Å; A120-S179 WeakPolarHBondContact CB-OG 3.21Å
121I92.3Very high90.8Very high59 Ų5945.9 Ų45.930%0.30325%0.253SS..Hα-helixtrans-62.4-49.4176.7-65.1168.2000110.9N117 K118 G123 G124 V125 M176 S179N117-I121 WeakPolarHBondContact O-CG1 3.3Å; N117-I121 PolarHBondContact O-N 2.84Å; K118-I121 PolarHBondContact O-N 2.88Å; I121-G123 VanDerWaalsContact C-N 3.35Å; I121-G123 PolarHBondContact O-N 2.81Å; I121-G124 PolarHBondContact O-N 3.5Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.48Å; I121-M176 HydrophobicContact CB-CE 4.48Å; I121-M176 HydrophobicContact CB-SD 4.26Å; I121-M176 HydrophobicContact CG2-SD 3.86Å; I121-M176 WeakPolarHBondContact O-CE 3.25Å; I121-S179 VanDerWaalsContact CG1-CB 3.42Å
122L94.9Very high91.8Very high96 Ų9647.8 Ų47.850%0.50326%0.262SS..Hα-helixtrans-62.4-44.6179-177.761.7000111.5L98 K118 V125 L126L98-L122 HydrophobicContact CD1-CD2 3.88Å; L98-L122 HydrophobicContact CD1-CG 3.98Å; K118-L122 WeakPolarHBondContact O-CB 3.47Å; K118-L122 PolarHBondContact O-N 3.34Å; L122-V125 PolarHBondContact O-N 2.96Å; L122-L126 HydrophobicContact CG-CD1 4.41Å; L122-L126 WeakPolarHBondContact O-CG 3.23Å; L122-L126 PolarHBondContact O-N 3.15Å; L122-L126 VanDerWaalsContact O-N 3.07Å
123G95.3Very high92.6Very high0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-61.3-45.8179.500000112.6R119 A120 I121 L126 M127R119-G123 PolarHBondContact O-N 3.44Å; A120-G123 PolarHBondContact O-N 2.94Å; I121-G123 VanDerWaalsContact C-N 3.35Å; I121-G123 PolarHBondContact O-N 2.81Å; G123-L126 WeakPolarHBondContact O-CB 3.24Å; G123-L126 PolarHBondContact O-N 3.11Å; G123-M127 WeakPolarHBondContact O-CG 3.41Å; G123-M127 PolarHBondContact O-N 2.88Å
124G95.4Very high93.3Very high0 Ų039.4 Ų39.40%021%0.214CC..Hα-helixtrans-75.6-28.9-179.700000113.8A120 I121 L126 M127 V128A120-G124 PolarHBondContact O-N 3.48Å; I121-G124 PolarHBondContact O-N 3.5Å; G124-L126 VanDerWaalsContact C-N 3.31Å; G124-L126 PolarHBondContact O-N 3.4Å; G124-M127 PolarHBondContact O-N 3.5Å; G124-V128 WeakPolarHBondContact O-CG2 3.48Å; G124-V128 PolarHBondContact O-N 3.05Å
125V96.5Very high94.1Very high72 Ų7239.1 Ų39.144%0.43621%0.206SC..Hα-helixtrans-59.3-45.7166.7170.80000110.1I121 L122 M127 V128 V129 M176I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.48Å; L122-V125 PolarHBondContact O-N 2.96Å; V125-M127 VanDerWaalsContact C-N 3.32Å; V125-M127 PolarHBondContact O-N 2.89Å; V125-V128 PolarHBondContact O-N 3.12Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 3.29Å; V125-M176 HydrophobicContact CG2-SD 3.69Å
126L97.3Very high94.5Very high39 Ų3941.2 Ų41.220%0.20422%0.216CC..Hα-helixtrans-61.3-40.5176.3-69170.6000111.8M91 A95 L98 L122 G123 G124 V128 V129 V130M91-L126 HydrophobicContact CE-CD2 3.96Å; A95-L126 HydrophobicContact CB-CB 3.61Å; A95-L126 HydrophobicContact CB-CD1 4.3Å; L98-L126 HydrophobicContact CD1-CD1 3.76Å; L122-L126 HydrophobicContact CG-CD1 4.41Å; L122-L126 WeakPolarHBondContact O-CG 3.23Å; L122-L126 PolarHBondContact O-N 3.15Å; L122-L126 VanDerWaalsContact O-N 3.07Å; G123-L126 WeakPolarHBondContact O-CB 3.24Å; G123-L126 PolarHBondContact O-N 3.11Å; G124-L126 VanDerWaalsContact C-N 3.31Å; G124-L126 PolarHBondContact O-N 3.4Å; L126-V128 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.41Å; L126-V129 PolarHBondContact O-N 3.22Å; L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.35Å; L126-V130 PolarHBondContact O-N 3.42Å
127M97.3Very high94.9Very high0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-62.7-36.8175.2-67.5-54.6-60.400112.9S14 W18 A95 V96 L99 G123 G124 V125 V130 A131 C168S14-M127 WeakPolarHBondContact O-CE 3.38Å; W18-M127 HydrophobicContact CB-CE 3.88Å; A95-M127 HydrophobicContact CB-CG 4.1Å; A95-M127 HydrophobicContact CB-SD 3.53Å; A95-M127 VanDerWaalsContact CB-SD 3.53Å; V96-M127 HydrophobicContact CG2-SD 4.28Å; L99-M127 HydrophobicContact CD1-CG 3.66Å; L99-M127 HydrophobicContact CD1-SD 4.39Å; G123-M127 WeakPolarHBondContact O-CG 3.41Å; G123-M127 PolarHBondContact O-N 2.88Å; G124-M127 PolarHBondContact O-N 3.5Å; V125-M127 VanDerWaalsContact C-N 3.32Å; V125-M127 PolarHBondContact O-N 2.89Å; M127-V130 PolarHBondContact O-N 2.8Å; M127-A131 WeakPolarHBondContact O-CB 3.45Å; M127-A131 PolarHBondContact O-N 2.9Å; M127-C168 HydrophobicContact CE-CB 4.19Å; M127-C168 VanDerWaalsContact CE-SG 3.54Å
128V97.4Very high95.2Very high38 Ų3838.9 Ų38.923%0.2320%0.204CC..Hα-helixtrans-64.4-43.5173.2171.60000110.5G124 V125 L126 V130 A131 L132 L169G124-V128 WeakPolarHBondContact O-CG2 3.48Å; G124-V128 PolarHBondContact O-N 3.05Å; V125-V128 PolarHBondContact O-N 3.12Å; L126-V128 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.41Å; V128-V130 PolarHBondContact O-N 2.85Å; V128-A131 WeakPolarHBondContact O-CB 3.45Å; V128-A131 PolarHBondContact O-N 3.11Å; V128-L132 HydrophobicContact CG1-CD1 4.49Å; V128-L132 WeakPolarHBondContact O-CG 3.39Å; V128-L132 PolarHBondContact O-N 3.18Å; V128-L169 HydrophobicContact CG1-CD2 4.12Å
129V97.5Very high95.4Very high52 Ų5236 Ų3632%0.31520%0.195SC..Hα-helixtrans-61.6-44.7175.9176.60000111.2M91 V125 L126 A131 L132 C133M91-V129 HydrophobicContact CE-CB 4.19Å; M91-V129 HydrophobicContact CE-CG1 3.56Å; M91-V129 HydrophobicContact SD-CG1 4.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 3.29Å; L126-V129 PolarHBondContact O-N 3.22Å; V129-A131 VanDerWaalsContact C-N 3.25Å; V129-A131 PolarHBondContact O-N 3.12Å; V129-L132 PolarHBondContact O-N 3.47Å; V129-L132 VanDerWaalsContact O-N 3.15Å; V129-C133 PolarHBondContact O-N 2.94Å; V129-C133 PolarHBondContact O-SG 3.43Å; V129-C133 VanDerWaalsContact O-SG 3.35Å
130V97.6Very high95.4Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-56.3-42.7174.5169.80000110.9G88 M91 L126 M127 V128 C133 A134G88-V130 WeakPolarHBondContact O-CG1 3.38Å; G88-V130 WeakPolarHBondContact O-CG2 3.47Å; M91-V130 HydrophobicContact CB-CG2 3.84Å; L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.35Å; L126-V130 PolarHBondContact O-N 3.42Å; M127-V130 PolarHBondContact O-N 2.8Å; V128-V130 PolarHBondContact O-N 2.85Å; V130-C133 WeakPolarHBondContact O-CB 3.19Å; V130-C133 PolarHBondContact O-N 3.44Å; V130-A134 PolarHBondContact O-N 3.24Å
131A97.6Very high95.4Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-66-40.2178.600000112.4M127 V128 V129 C133 A134 L135 T165 C168 L169M127-A131 WeakPolarHBondContact O-CB 3.45Å; M127-A131 PolarHBondContact O-N 2.9Å; V128-A131 WeakPolarHBondContact O-CB 3.45Å; V128-A131 PolarHBondContact O-N 3.11Å; V129-A131 VanDerWaalsContact C-N 3.25Å; V129-A131 PolarHBondContact O-N 3.12Å; A131-C133 VanDerWaalsContact C-N 3.34Å; A131-A134 PolarHBondContact O-N 3.4Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 PolarHBondContact O-N 3.03Å; A131-T165 HydrophobicContact CB-CG2 4.16Å; A131-T165 WeakPolarHBondContact O-CG2 3.25Å; A131-C168 HydrophobicContact CB-CB 3.61Å; A131-L169 HydrophobicContact CB-CB 4.4Å; A131-L169 HydrophobicContact CB-CD2 3.71Å; A131-L169 HydrophobicContact CB-CG 3.52Å
132L96.8Very high95.3Very high90 Ų9037.7 Ų37.747%0.47120%0.199SC..Hα-helixtrans-63.5-41.2173.7-66175.5000111.6V128 V129 A134 L135 V136V128-L132 HydrophobicContact CG1-CD1 4.49Å; V128-L132 WeakPolarHBondContact O-CG 3.39Å; V128-L132 PolarHBondContact O-N 3.18Å; V129-L132 PolarHBondContact O-N 3.47Å; V129-L132 VanDerWaalsContact O-N 3.15Å; L132-A134 PolarHBondContact O-N 3.03Å; L132-L135 PolarHBondContact O-N 3.47Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3.47Å; L132-V136 VanDerWaalsContact O-N 3.17Å
133C96.1Very high95.1Very high21 Ų2137 Ų3714%0.14220%0.195CC..Hα-helixtrans-62.2-27174.4-69.50000113L84 V129 V130 A131 P137L84-C133 WeakPolarHBondContact CB-O 3.18Å; V129-C133 PolarHBondContact O-N 2.94Å; V129-C133 PolarHBondContact O-SG 3.43Å; V129-C133 VanDerWaalsContact O-SG 3.35Å; V130-C133 WeakPolarHBondContact O-CB 3.19Å; V130-C133 PolarHBondContact O-N 3.44Å; A131-C133 VanDerWaalsContact C-N 3.34Å; C133-P137 WeakPolarHBondContact O-CD 3.42Å; C133-P137 WeakPolarHBondContact O-CG 3.37Å
134A96Very high94.7Very high0 Ų037.3 Ų37.30%020%0.199CC..Hα-helixtrans-88.9-32.8174.400000113.2V21 M85 V130 A131 L132 P137 T138 T165V21-A134 HydrophobicContact CG1-CB 3.97Å; V21-A134 HydrophobicContact CG2-CB 3.76Å; M85-A134 HydrophobicContact SD-CB 4.14Å; V130-A134 PolarHBondContact O-N 3.24Å; A131-A134 PolarHBondContact O-N 3.4Å; L132-A134 PolarHBondContact O-N 3.03Å; A134-P137 WeakPolarHBondContact O-CD 3.09Å; A134-P137 WeakPolarHBondContact O-CG 3.41Å; A134-T138 WeakPolarHBondContact O-CB 3.25Å; A134-T138 WeakPolarHBondContact O-CG2 3.33Å; A134-T138 PolarHBondContact O-N 3.07Å; A134-T138 PolarHBondContact O-OG1 2.98Å; A134-T165 WeakPolarHBondContact CB-OG1 3.33Å
135L96.3Very high94.2Very high67 Ų6737.3 Ų37.335%0.35120%0.199SC..Hα-helixtrans-64.7-49.6179.6-169.7106.5000112A131 L132 T138 I139 T165A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 PolarHBondContact O-N 3.03Å; L132-L135 PolarHBondContact O-N 3.47Å; L135-T138 PolarHBondContact O-N 2.97Å; L135-T138 PolarHBondContact O-OG1 3.44Å; L135-I139 HydrophobicContact CD1-CD1 4.45Å; L135-I139 HydrophobicContact CD2-CD1 3.96Å; L135-I139 HydrophobicContact CG-CD1 3.82Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 3.47Å; L135-I139 VanDerWaalsContact O-N 3.16Å; L135-T165 HydrophobicContact CB-CG2 3.85Å; L135-T165 HydrophobicContact CD1-CG2 3.75Å; L135-T165 HydrophobicContact CG-CG2 4.42Å
136V95.3Very high93.8Very high78 Ų7838.2 Ų38.247%0.47320%0.201SC..Hα-helixtrans-55.2-54.1-178.1173.50000111.9L84 L132 I139 W140L84-V136 HydrophobicContact CD1-CB 4.07Å; L84-V136 HydrophobicContact CD1-CG1 3.69Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3.47Å; L132-V136 VanDerWaalsContact O-N 3.17Å; V136-I139 PolarHBondContact O-N 3.49Å; V136-W140 VanDerWaalsContact O-CB 3.23Å; V136-W140 WeakPolarHBondContact O-CB 3.25Å; V136-W140 PolarHBondContact O-N 3.29Å
137P93.6Very high93.1Very high1 Ų144.2 Ų44.21%0.00623%0.228CC..Hα-helixtrans-71.4-33.7-178.329.1-37.2000113.7T81 L84 M85 C133 A134 I139 W140 F141T81-P137 HydrophobicContact CG2-CB 3.84Å; L84-P137 HydrophobicContact CB-CG 4.08Å; M85-P137 HydrophobicContact CG-CB 4.38Å; M85-P137 HydrophobicContact CG-CG 3.94Å; M85-P137 HydrophobicContact SD-CG 3.91Å; C133-P137 WeakPolarHBondContact O-CD 3.42Å; C133-P137 WeakPolarHBondContact O-CG 3.37Å; A134-P137 WeakPolarHBondContact O-CD 3.09Å; A134-P137 WeakPolarHBondContact O-CG 3.41Å; P137-I139 PolarHBondContact O-N 3.46Å; P137-W140 PolarHBondContact O-N 2.87Å; P137-F141 WeakPolarHBondContact O-CB 3.42Å; P137-F141 PolarHBondContact O-N 2.91Å
138T93.1Very high92.1Very high1 Ų148.3 Ų48.31%0.00625%0.247CC..Hα-helixtrans-67.8-23.4178.353.60000113W30 M85 A134 L135 P142W30-T138 HydrophobicContact CH2-CG2 4.25Å; W30-T138 HydrophobicContact CZ3-CG2 4.24Å; M85-T138 HydrophobicContact CE-CG2 3.86Å; A134-T138 WeakPolarHBondContact O-CB 3.25Å; A134-T138 WeakPolarHBondContact O-CG2 3.33Å; A134-T138 PolarHBondContact O-N 3.07Å; A134-T138 PolarHBondContact O-OG1 2.98Å; L135-T138 PolarHBondContact O-N 2.97Å; L135-T138 PolarHBondContact O-OG1 3.44Å; T138-P142 WeakPolarHBondContact O-CD 3.29Å; T138-P142 WeakPolarHBondContact O-CG 3.45Å
139I93Very high90.9Very high84 Ų8450 Ų5043%0.43126%0.255SS..Hα-helixtrans-87.3-43.9171.4-63.6170.8000110.8L135 V136 P137 P142 I143L135-I139 HydrophobicContact CD1-CD1 4.45Å; L135-I139 HydrophobicContact CD2-CD1 3.96Å; L135-I139 HydrophobicContact CG-CD1 3.82Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 3.47Å; L135-I139 VanDerWaalsContact O-N 3.16Å; V136-I139 PolarHBondContact O-N 3.49Å; P137-I139 PolarHBondContact O-N 3.46Å; I139-P142 WeakPolarHBondContact O-CD 3.47Å; I139-I143 HydrophobicContact CG2-CD1 3.85Å; I139-I143 VanDerWaalsContact O-CD1 3.31Å; I139-I143 WeakPolarHBondContact O-CD1 3.5Å; I139-I143 VanDerWaalsContact O-CG1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.36Å
140W92.4Very high89.8Confident141 Ų14148.9 Ų48.953%0.53425%0.253SS..Hα-helixtrans-69.8-36.6-174-166.8-102.9000113.2Y77 V136 P137 I143 G144Y77-W140 VanDerWaalsContact CB-CD1 3.46Å; V136-W140 VanDerWaalsContact O-CB 3.23Å; V136-W140 WeakPolarHBondContact O-CB 3.25Å; V136-W140 PolarHBondContact O-N 3.29Å; P137-W140 PolarHBondContact O-N 2.87Å; W140-I143 PolarHBondContact O-N 3.37Å; W140-G144 PolarHBondContact O-N 3.48Å
141F91.4Very high89Confident0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-63.4-48.6-175.6-174.6-85.4000113.3W30 V31 K50 G51 Y77 I78 T81 P137 I143 G144 A145W30-F141 HydrophobicContact CB-CD1 4.12Å; W30-F141 HydrophobicContact CB-CE1 3.64Å; W30-F141 HydrophobicContact CB-CZ 4.36Å; W30-F141 HydrophobicContact CD2-CD1 4.36Å; W30-F141 HydrophobicContact CD2-CE1 4.43Å; W30-F141 HydrophobicContact CE3-CB 4.01Å; W30-F141 AromaticContact CE3-CD1 3.61Å; W30-F141 HydrophobicContact CE3-CD1 3.61Å; W30-F141 HydrophobicContact CE3-CD2 4.36Å; W30-F141 HydrophobicContact CE3-CE1 4.11Å; W30-F141 AromaticContact CE3-CG 3.75Å; W30-F141 HydrophobicContact CE3-CG 3.75Å; W30-F141 HydrophobicContact CG-CE1 4.29Å; W30-F141 HydrophobicContact CZ3-CB 3.94Å; W30-F141 HydrophobicContact CZ3-CD1 4.38Å; W30-F141 HydrophobicContact CZ3-CG 4.07Å; V31-F141 HydrophobicContact CB-CE1 4.46Å; V31-F141 HydrophobicContact CG1-CD1 4Å; V31-F141 HydrophobicContact CG1-CE1 4.07Å; V31-F141 HydrophobicContact CG2-CD1 4.32Å; V31-F141 HydrophobicContact CG2-CE1 3.64Å; K50-F141 HydrophobicContact CB-CZ 4.47Å; G51-F141 WeakPolarHBondContact O-CZ 3.28Å; Y77-F141 AromaticContact CD2-CD2 3.85Å; Y77-F141 HydrophobicContact CD2-CD2 3.85Å; Y77-F141 HydrophobicContact CD2-CE2 4.33Å; Y77-F141 HydrophobicContact CD2-CG 4.36Å; Y77-F141 AromaticContact CE2-CD2 3.88Å; Y77-F141 HydrophobicContact CE2-CD2 3.88Å; Y77-F141 AromaticContact CE2-CE2 3.95Å; Y77-F141 HydrophobicContact CE2-CE2 3.95Å; Y77-F141 HydrophobicContact CE2-CG 4.39Å; I78-F141 HydrophobicContact CG1-CE2 4.07Å; T81-F141 HydrophobicContact CG2-CD2 3.92Å; P137-F141 WeakPolarHBondContact O-CB 3.42Å; P137-F141 PolarHBondContact O-N 2.91Å; F141-I143 VanDerWaalsContact C-N 3.31Å; F141-I143 PolarHBondContact O-N 3.44Å; F141-G144 PolarHBondContact O-N 3.43Å; F141-A145 PolarHBondContact O-N 2.85Å
142P90.4Very high88.2Confident11 Ų1154 Ų547%0.07128%0.279CS..Hα-helixtrans-59.3-37.2171.9-27.736.3000114.8V31 T138 I139 A145 N146 L151 F154 L158V31-P142 HydrophobicContact CG1-CB 4.42Å; V31-P142 HydrophobicContact CG1-CG 4.21Å; T138-P142 WeakPolarHBondContact O-CD 3.29Å; T138-P142 WeakPolarHBondContact O-CG 3.45Å; I139-P142 WeakPolarHBondContact O-CD 3.47Å; P142-A145 PolarHBondContact O-N 2.84Å; P142-N146 WeakPolarHBondContact O-CB 2.89Å; P142-N146 PolarHBondContact O-N 2.84Å; P142-L151 HydrophobicContact CB-CD1 3.57Å; P142-L151 WeakPolarHBondContact O-CD1 3.41Å; P142-F154 HydrophobicContact CB-CD1 4.49Å; P142-F154 HydrophobicContact CB-CE1 3.81Å; P142-F154 HydrophobicContact CG-CD1 4.31Å; P142-F154 HydrophobicContact CG-CE1 3.97Å; P142-L158 HydrophobicContact CG-CD1 3.59Å; P142-L158 HydrophobicContact CG-CD2 4.04Å; P142-L158 HydrophobicContact CG-CG 4.44Å
143I90.4Very high87.8Confident81 Ų8152.3 Ų52.342%0.41527%0.274SS..Hα-helixtrans-64.8-46.4-179.6-64.7168.5000109.9I139 W140 F141 N146 Q147I139-I143 HydrophobicContact CG2-CD1 3.85Å; I139-I143 VanDerWaalsContact O-CD1 3.31Å; I139-I143 WeakPolarHBondContact O-CD1 3.5Å; I139-I143 VanDerWaalsContact O-CG1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.36Å; W140-I143 PolarHBondContact O-N 3.37Å; F141-I143 VanDerWaalsContact C-N 3.31Å; F141-I143 PolarHBondContact O-N 3.44Å; I143-N146 PolarHBondContact O-N 3.21Å; I143-Q147 PolarHBondContact O-N 3.3Å
144G86.8Confident87.6Confident8 Ų854.7 Ų54.78%0.08228%0.282CS..Hα-helixtrans-59.9-46.917500000111.9W140 F141 N146 Q147W140-G144 PolarHBondContact O-N 3.48Å; F141-G144 PolarHBondContact O-N 3.43Å; G144-N146 VanDerWaalsContact C-N 3.33Å; G144-N146 PolarHBondContact O-N 3.11Å; G144-Q147 PolarHBondContact O-N 2.78Å
145A86.1Confident87.3Confident0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-65.6-35.1-179.300000113.1V31 M33 F141 P142 Q147 E148V31-A145 HydrophobicContact CG2-CB 4.07Å; M33-A145 HydrophobicContact CE-CB 3.36Å; M33-A145 HydrophobicContact SD-CB 3.83Å; F141-A145 PolarHBondContact O-N 2.85Å; P142-A145 PolarHBondContact O-N 2.84Å; A145-Q147 VanDerWaalsContact C-N 3.27Å; A145-Q147 PolarHBondContact O-N 2.69Å; A145-E148 PolarHBondContact O-N 3Å
146N86.5Confident87.1Confident91 Ų9158.8 Ų58.849%0.48730%0.3SS..Hα-helixtrans-63.9-31.2175.8-174.364.6000113P142 I143 G144 E148 G150 L151P142-N146 WeakPolarHBondContact O-CB 2.89Å; P142-N146 PolarHBondContact O-N 2.84Å; I143-N146 PolarHBondContact O-N 3.21Å; G144-N146 VanDerWaalsContact C-N 3.33Å; G144-N146 PolarHBondContact O-N 3.11Å; N146-E148 VanDerWaalsContact C-N 3.29Å; N146-E148 PolarHBondContact O-N 2.9Å; N146-G150 PolarHBondContact O-N 3.35Å; N146-L151 HydrophobicContact CB-CB 3.91Å; N146-L151 PolarHBondContact OD1-N 2.67Å; N146-L151 VanDerWaalsContact OD1-N 3.08Å
147Q83.3Confident87Confident165 Ų16555 Ų5577%0.77128%0.278SS*.Hα-helixtrans-70.5-24.2178.2-70.3-178.6-11.900113.1I143 G144 A145I143-Q147 PolarHBondContact O-N 3.3Å; G144-Q147 PolarHBondContact O-N 2.78Å; A145-Q147 VanDerWaalsContact C-N 3.27Å; A145-Q147 PolarHBondContact O-N 2.69Å
148E77.2Confident87Confident86 Ų8655 Ų5540%0.40228%0.278SS..Hα-helixtrans-83.4-60.3-177.2-64-176.7169.600112.7K50 Y77 A145 N146K50-E148 IonicContact NZ-OE2 3.44Å; K50-E148 PolarHBondContact NZ-OE2 3.34Å; Y77-E148 WeakPolarHBondContact CE1-OE1 3.14Å; Y77-E148 PolarHBondContact OH-OE1 3.42Å; A145-E148 PolarHBondContact O-N 3Å; N146-E148 VanDerWaalsContact C-N 3.29Å; N146-E148 PolarHBondContact O-N 2.9Å
149L70.9Confident87.1Confident74 Ų7460.5 Ų60.539%0.38730%0.299SS..Hα-helixtrans-132.7-0.4-166-85.2148.4000114M33M33-L149 HydrophobicContact CB-CB 4.37Å
150G75.8Confident87.2Confident27 Ų2757.2 Ų57.228%0.27828%0.284SS..  trans83.1125.3-176.600000112.6M33 N146M33-G150 VanDerWaalsContact SD-O 3.38Å; N146-G150 PolarHBondContact O-N 3.35Å
151L81Confident87.3Confident44 Ų4450.5 Ų50.523%0.2326%0.259CS..EExtended strand (participates in β ladder)trans-82124.5-176.4-164.6139.2000110.7V31 M33 P142 N146 F154V31-L151 HydrophobicContact CG1-CD1 4.15Å; M33-L151 HydrophobicContact CE-CB 3.97Å; M33-L151 HydrophobicContact CE-CD1 3.65Å; M33-L151 HydrophobicContact CE-CG 3.62Å; M33-L151 HydrophobicContact SD-CB 4.32Å; P142-L151 HydrophobicContact CB-CD1 3.57Å; P142-L151 WeakPolarHBondContact O-CD1 3.41Å; N146-L151 HydrophobicContact CB-CB 3.91Å; N146-L151 PolarHBondContact OD1-N 2.67Å; N146-L151 VanDerWaalsContact OD1-N 3.08Å; L151-F154 HydrophobicContact CD1-CE1 4.14Å; L151-F154 HydrophobicContact CD2-CD1 4.17Å; L151-F154 HydrophobicContact CD2-CE1 3.73Å; L151-F154 HydrophobicContact CD2-CE2 4.17Å; L151-F154 HydrophobicContact CD2-CZ 3.72Å
152M80.6Confident87.5Confident65 Ų6555.5 Ų55.532%0.3228%0.278SS..EExtended strand (participates in β ladder)trans-103.1-46.6-176.7-164.8-100.5-74.300111.9T32 C34 V38 L47T32-M152 HydrophobicContact CG2-CE 4.15Å; T32-M152 WeakPolarHBondContact O-CB 3.15Å; T32-M152 PolarHBondContact O-N 2.99Å; C34-M152 HydrophobicContact CB-CB 4.31Å; C34-M152 HydrophobicContact CB-CE 3.91Å; C34-M152 HydrophobicContact CB-CG 4.43Å; V38-M152 HydrophobicContact CB-CE 4.36Å; V38-M152 HydrophobicContact CG2-CE 3.56Å; V38-M152 HydrophobicContact CG2-SD 3.61Å; L47-M152 HydrophobicContact CD1-CE 3.52Å
153S87.3Confident87.9Confident53 Ų5358.7 Ų58.737%0.37130%0.297SS..EExtended strand (participates in β ladder)trans-148.5153.2175.6-173.60000112.1T32T32-S153 PolarHBondContact N-O 3.33Å; T32-S153 PolarHBondContact O-N 2.97Å
154F91.3Very high88.2Confident71 Ų7154.9 Ų54.931%0.31128%0.278SS..EExtended strand (participates in β ladder)trans-82.6140.7166.4-55.9-75.6000110P142 L151 L158 Y159P142-F154 HydrophobicContact CB-CD1 4.49Å; P142-F154 HydrophobicContact CB-CE1 3.81Å; P142-F154 HydrophobicContact CG-CD1 4.31Å; P142-F154 HydrophobicContact CG-CE1 3.97Å; L151-F154 HydrophobicContact CD1-CE1 4.14Å; L151-F154 HydrophobicContact CD2-CD1 4.17Å; L151-F154 HydrophobicContact CD2-CE1 3.73Å; L151-F154 HydrophobicContact CD2-CE2 4.17Å; L151-F154 HydrophobicContact CD2-CZ 3.72Å; F154-L158 HydrophobicContact CD1-CD2 4.05Å; F154-Y159 HydrophobicContact CB-CE2 3.95Å
155G90.7Very high88.7Confident9 Ų954.7 Ų54.79%0.09328%0.275CS..  trans-88.6167175.400000112.5D29 W30 S157 L158 Y159D29-G155 CarbonylContact O-C 3.41Å; D29-G155 VanDerWaalsContact O-C 3.23Å; D29-G155 VanDerWaalsContact O-CA 3.23Å; D29-G155 WeakPolarHBondContact O-CA 3.44Å; W30-G155 PolarHBondContact O-N 2.94Å; G155-S157 PolarHBondContact O-N 3.36Å; G155-L158 PolarHBondContact O-N 3Å; G155-Y159 VanDerWaalsContact O-CD2 3.23Å; G155-Y159 WeakPolarHBondContact O-CD2 3.46Å
156F92.2Very high89.2Confident144 Ų14458.7 Ų58.763%0.63230%0.299SS*.Hα-helixtrans-56.4-37.5-177.8171.1-98.1000112.8D29 L158 Y159 A160D29-F156 PolarHBondContact O-N 3.2Å; F156-L158 PolarHBondContact O-N 3.31Å; F156-Y159 PolarHBondContact O-N 3.4Å; F156-A160 HydrophobicContact CE1-CB 4.31Å; F156-A160 HydrophobicContact CZ-CB 4.46Å; F156-A160 PolarHBondContact O-N 2.81Å
157S93.1Very high89.8Confident0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-60.2-37.1-177.2-168.30000112.3A24 T27 D29 W30 G155 A160 G161A24-S157 VanDerWaalsContact CA-OG 3.25Å; A24-S157 WeakPolarHBondContact CA-OG 3.37Å; A24-S157 WeakPolarHBondContact CB-O 3.46Å; A24-S157 PolarHBondContact O-OG 3.23Å; T27-S157 VanDerWaalsContact OG1-CB 3.25Å; T27-S157 WeakPolarHBondContact OG1-CB 3.39Å; T27-S157 PolarHBondContact OG1-OG 2.93Å; D29-S157 WeakPolarHBondContact O-CB 3.29Å; D29-S157 PolarHBondContact O-N 2.79Å; W30-S157 PolarHBondContact NE1-OG 3.28Å; G155-S157 PolarHBondContact O-N 3.36Å; S157-A160 PolarHBondContact O-N 3.19Å; S157-G161 PolarHBondContact O-N 3.12Å
158L93.4Very high90.4Very high1 Ų150.1 Ų50.11%0.00526%0.255CS..Hα-helixtrans-71.5-39.5-178.9-140.4131.2000111.6W30 V31 P142 F154 G155 F156 G161 W162W30-L158 HydrophobicContact CB-CD1 4.13Å; W30-L158 HydrophobicContact CD2-CD1 4.32Å; W30-L158 HydrophobicContact CE3-CD1 3.74Å; W30-L158 HydrophobicContact CE3-CG 4.41Å; W30-L158 WeakPolarHBondContact O-CD1 3.38Å; V31-L158 HydrophobicContact CG1-CD1 3.87Å; P142-L158 HydrophobicContact CG-CD1 3.59Å; P142-L158 HydrophobicContact CG-CD2 4.04Å; P142-L158 HydrophobicContact CG-CG 4.44Å; F154-L158 HydrophobicContact CD1-CD2 4.05Å; G155-L158 PolarHBondContact O-N 3Å; F156-L158 PolarHBondContact O-N 3.31Å; L158-G161 PolarHBondContact O-N 3.41Å; L158-W162 HydrophobicContact CD2-CD2 4.28Å; L158-W162 VanDerWaalsContact CD2-CE2 3.49Å; L158-W162 HydrophobicContact CD2-CH2 4.41Å; L158-W162 HydrophobicContact CD2-CZ2 3.57Å; L158-W162 PolarHBondContact O-N 3.32Å
159Y94.5Very high91.4Very high115 Ų11548.6 Ų48.645%0.45125%0.25SC..Hα-helixtrans-62.6-43.8171.5-66.9-69.4000111.7F154 G155 F156 G161 W162 V163F154-Y159 HydrophobicContact CB-CE2 3.95Å; G155-Y159 VanDerWaalsContact O-CD2 3.23Å; G155-Y159 WeakPolarHBondContact O-CD2 3.46Å; F156-Y159 PolarHBondContact O-N 3.4Å; Y159-G161 VanDerWaalsContact C-N 3.3Å; Y159-G161 PolarHBondContact O-N 2.9Å; Y159-W162 PolarHBondContact O-N 3.28Å; Y159-V163 WeakPolarHBondContact O-CG2 3.43Å; Y159-V163 PolarHBondContact O-N 2.97Å
160A95.1Very high92.6Very high16 Ų1648.9 Ų48.913%0.13225%0.251CS..Hα-helixtrans-60.8-40.8175.100000111.5F156 S157 G164F156-A160 HydrophobicContact CE1-CB 4.31Å; F156-A160 HydrophobicContact CZ-CB 4.46Å; F156-A160 PolarHBondContact O-N 2.81Å; S157-A160 PolarHBondContact O-N 3.19Å; A160-G164 WeakPolarHBondContact O-CA 3.41Å; A160-G164 PolarHBondContact O-N 2.81Å
161G95.4Very high93.6Very high0 Ų047.6 Ų47.60%024%0.238CC..Hα-helixtrans-63.5-43.4175.200000113.2S157 L158 Y159 G164 T165S157-G161 PolarHBondContact O-N 3.12Å; L158-G161 PolarHBondContact O-N 3.41Å; Y159-G161 VanDerWaalsContact C-N 3.3Å; Y159-G161 PolarHBondContact O-N 2.9Å; G161-G164 PolarHBondContact O-N 2.85Å; G161-T165 VanDerWaalsContact O-CB 3.29Å; G161-T165 WeakPolarHBondContact O-CB 3.39Å; G161-T165 PolarHBondContact O-N 3.05Å; G161-T165 PolarHBondContact O-OG1 3.45Å
162W96.3Very high94.2Very high105 Ų10545.5 Ų45.540%0.39823%0.227SC..Hα-helixtrans-65.9-49.5176.9-73.21.1000112.4L158 Y159 G164 T165 V166L158-W162 HydrophobicContact CD2-CD2 4.28Å; L158-W162 VanDerWaalsContact CD2-CE2 3.49Å; L158-W162 HydrophobicContact CD2-CH2 4.41Å; L158-W162 HydrophobicContact CD2-CZ2 3.57Å; L158-W162 PolarHBondContact O-N 3.32Å; Y159-W162 PolarHBondContact O-N 3.28Å; W162-G164 VanDerWaalsContact C-N 3.28Å; W162-G164 PolarHBondContact O-N 3.05Å; W162-T165 PolarHBondContact O-N 3.38Å; W162-V166 WeakPolarHBondContact O-CG2 3.48Å; W162-V166 PolarHBondContact O-N 2.92Å
163V97.1Very high94.9Very high78 Ų7845.9 Ų45.947%0.47323%0.233SC..Hα-helixtrans-59.7-44.71761740000109.9Y159 T165 V166 F167Y159-V163 WeakPolarHBondContact O-CG2 3.43Å; Y159-V163 PolarHBondContact O-N 2.97Å; V163-T165 VanDerWaalsContact C-N 3.35Å; V163-T165 PolarHBondContact O-N 3.18Å; V163-V166 PolarHBondContact O-N 3.46Å; V163-F167 HydrophobicContact CG1-CD1 4.49Å; V163-F167 HydrophobicContact CG1-CD2 4.1Å; V163-F167 HydrophobicContact CG1-CE1 4.19Å; V163-F167 HydrophobicContact CG1-CE2 3.76Å; V163-F167 HydrophobicContact CG1-CG 4.46Å; V163-F167 HydrophobicContact CG1-CZ 3.81Å; V163-F167 WeakPolarHBondContact O-CB 3.34Å; V163-F167 WeakPolarHBondContact O-CG 3.48Å; V163-F167 PolarHBondContact O-N 3.43Å
164G96.8Very high95.2Very high1 Ų145.8 Ų45.81%0.0123%0.227CC..Hα-helixtrans-58.6-45.2177.100000112.6G17 A160 G161 W162 F167 C168G17-G164 VanDerWaalsContact CA-O 3.27Å; G17-G164 WeakPolarHBondContact CA-O 3.31Å; G17-G164 WeakPolarHBondContact O-CA 3.2Å; A160-G164 WeakPolarHBondContact O-CA 3.41Å; A160-G164 PolarHBondContact O-N 2.81Å; G161-G164 PolarHBondContact O-N 2.85Å; W162-G164 VanDerWaalsContact C-N 3.28Å; W162-G164 PolarHBondContact O-N 3.05Å; G164-F167 PolarHBondContact O-N 3.13Å; G164-C168 WeakPolarHBondContact O-CB 3.4Å; G164-C168 PolarHBondContact O-N 3.34Å; G164-C168 PolarHBondContact O-SG 3.36Å; G164-C168 VanDerWaalsContact O-SG 3.32Å
165T97.2Very high95.3Very high3 Ų342.4 Ų42.42%0.01821%0.212CC..Hα-helixtrans-62.2-46.5177.5-61.40000112.1A131 A134 L135 G161 W162 V163 F167 C168 L169A131-T165 HydrophobicContact CB-CG2 4.16Å; A131-T165 WeakPolarHBondContact O-CG2 3.25Å; A134-T165 WeakPolarHBondContact CB-OG1 3.33Å; L135-T165 HydrophobicContact CB-CG2 3.85Å; L135-T165 HydrophobicContact CD1-CG2 3.75Å; L135-T165 HydrophobicContact CG-CG2 4.42Å; G161-T165 VanDerWaalsContact O-CB 3.29Å; G161-T165 WeakPolarHBondContact O-CB 3.39Å; G161-T165 PolarHBondContact O-N 3.05Å; G161-T165 PolarHBondContact O-OG1 3.45Å; W162-T165 PolarHBondContact O-N 3.38Å; V163-T165 VanDerWaalsContact C-N 3.35Å; V163-T165 PolarHBondContact O-N 3.18Å; T165-F167 VanDerWaalsContact C-N 3.31Å; T165-F167 PolarHBondContact O-N 2.98Å; T165-C168 PolarHBondContact O-N 2.86Å; T165-L169 HydrophobicContact CG2-CD1 4.3Å; T165-L169 PolarHBondContact O-N 3.31Å
166V97.9Very high95.2Very high85 Ų8543.6 Ų43.652%0.51522%0.216SC..Hα-helixtrans-61.8-42.1177.6171.60000110.8W162 V163 L169 L170W162-V166 WeakPolarHBondContact O-CG2 3.48Å; W162-V166 PolarHBondContact O-N 2.92Å; V163-V166 PolarHBondContact O-N 3.46Å; V166-L169 PolarHBondContact O-N 3.42Å; V166-L170 VanDerWaalsContact O-CB 3.25Å; V166-L170 WeakPolarHBondContact O-CB 3.35Å; V166-L170 PolarHBondContact O-N 3.35Å
167F97.9Very high95Very high76 Ų7639.8 Ų39.833%0.33321%0.206SC..Hα-helixtrans-67.9-39.7178.3-73.93.4000112.5L13 L16 V163 G164 T165 G171L13-F167 WeakPolarHBondContact O-CB 3.38Å; L16-F167 HydrophobicContact CB-CD2 4.4Å; V163-F167 HydrophobicContact CG1-CD1 4.49Å; V163-F167 HydrophobicContact CG1-CD2 4.1Å; V163-F167 HydrophobicContact CG1-CE1 4.19Å; V163-F167 HydrophobicContact CG1-CE2 3.76Å; V163-F167 HydrophobicContact CG1-CG 4.46Å; V163-F167 HydrophobicContact CG1-CZ 3.81Å; V163-F167 WeakPolarHBondContact O-CB 3.34Å; V163-F167 WeakPolarHBondContact O-CG 3.48Å; V163-F167 PolarHBondContact O-N 3.43Å; G164-F167 PolarHBondContact O-N 3.13Å; T165-F167 VanDerWaalsContact C-N 3.31Å; T165-F167 PolarHBondContact O-N 2.98Å; F167-G171 WeakPolarHBondContact O-CA 3.43Å; F167-G171 PolarHBondContact O-N 2.95Å
168C97.5Very high94.6Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-62.9-44.5172.4-73.50000112.3W18 M127 A131 G164 T165 G172W18-C168 PolarHBondContact N-SG 3.35Å; M127-C168 HydrophobicContact CE-CB 4.19Å; M127-C168 VanDerWaalsContact CE-SG 3.54Å; A131-C168 HydrophobicContact CB-CB 3.61Å; G164-C168 WeakPolarHBondContact O-CB 3.4Å; G164-C168 PolarHBondContact O-N 3.34Å; G164-C168 PolarHBondContact O-SG 3.36Å; G164-C168 VanDerWaalsContact O-SG 3.32Å; T165-C168 PolarHBondContact O-N 2.86Å; C168-G172 PolarHBondContact O-N 3.41Å
169L97.2Very high93.5Very high54 Ų5440.2 Ų40.228%0.28321%0.209SC..Hα-helixtrans-62.6-52.9177-79.8173.8000111.3V128 A131 T165 V166 G171 G172 V173V128-L169 HydrophobicContact CG1-CD2 4.12Å; A131-L169 HydrophobicContact CB-CB 4.4Å; A131-L169 HydrophobicContact CB-CD2 3.71Å; A131-L169 HydrophobicContact CB-CG 3.52Å; T165-L169 HydrophobicContact CG2-CD1 4.3Å; T165-L169 PolarHBondContact O-N 3.31Å; V166-L169 PolarHBondContact O-N 3.42Å; L169-G171 PolarHBondContact O-N 3.02Å; L169-G172 PolarHBondContact O-N 2.64Å; L169-V173 VanDerWaalsContact O-CG2 3.29Å; L169-V173 WeakPolarHBondContact O-CG2 3.34Å; L169-V173 PolarHBondContact O-N 3.19Å
170L97Very high91.8Very high79 Ų7939.6 Ų39.641%0.41421%0.214SC..Hα-helixtrans-63.8-44.4-177.3-174.361.7000111L13 V166 V173 M174L13-L170 HydrophobicContact CD2-CB 4.19Å; L13-L170 HydrophobicContact CD2-CD2 3.57Å; L13-L170 HydrophobicContact CD2-CG 3.86Å; V166-L170 VanDerWaalsContact O-CB 3.25Å; V166-L170 WeakPolarHBondContact O-CB 3.35Å; V166-L170 PolarHBondContact O-N 3.35Å; L170-V173 PolarHBondContact O-N 3.24Å; L170-M174 HydrophobicContact CD1-CE 3.81Å; L170-M174 HydrophobicContact CD2-CE 4.01Å; L170-M174 HydrophobicContact CG-CE 3.73Å; L170-M174 HydrophobicContact CG-SD 4.23Å; L170-M174 WeakPolarHBondContact O-CB 3.26Å; L170-M174 VanDerWaalsContact O-CG 3.23Å; L170-M174 WeakPolarHBondContact O-CG 3.06Å; L170-M174 PolarHBondContact O-N 3.36Å
171G95.7Very high89.8Confident0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-61.1-47.5176.200000112.3G10 S14 F167 L169 V173 M174 L175G10-G171 WeakPolarHBondContact O-CA 3.31Å; S14-G171 VanDerWaalsContact OG-C 3.3Å; S14-G171 WeakPolarHBondContact OG-CA 3.46Å; F167-G171 WeakPolarHBondContact O-CA 3.43Å; F167-G171 PolarHBondContact O-N 2.95Å; L169-G171 PolarHBondContact O-N 3.02Å; G171-V173 PolarHBondContact O-N 3.4Å; G171-M174 PolarHBondContact O-N 2.9Å; G171-L175 VanDerWaalsContact O-CD1 3.3Å; G171-L175 WeakPolarHBondContact O-CD1 3.43Å; G171-L175 VanDerWaalsContact O-CG 3.24Å; G171-L175 WeakPolarHBondContact O-CG 3.25Å; G171-L175 PolarHBondContact O-N 2.92Å
172G95.1Very high87.6Confident0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-59.3-46.217700000112.8C168 L169 L175 M176C168-G172 PolarHBondContact O-N 3.41Å; L169-G172 PolarHBondContact O-N 2.64Å; G172-L175 PolarHBondContact O-N 2.85Å; G172-M176 WeakPolarHBondContact O-CG 3.38Å; G172-M176 PolarHBondContact O-N 2.85Å
173V94.8Very high85Confident74 Ų7441.7 Ų41.745%0.44825%0.246SC..Hα-helixtrans-65.1-44.7177.4173.30000111.5L169 L170 G171 L175 M176 C177L169-V173 VanDerWaalsContact O-CG2 3.29Å; L169-V173 WeakPolarHBondContact O-CG2 3.34Å; L169-V173 PolarHBondContact O-N 3.19Å; L170-V173 PolarHBondContact O-N 3.24Å; G171-V173 PolarHBondContact O-N 3.4Å; V173-L175 VanDerWaalsContact C-N 3.26Å; V173-L175 PolarHBondContact O-N 3.42Å; V173-M176 PolarHBondContact O-N 3.1Å; V173-M176 VanDerWaalsContact O-N 3.15Å; V173-C177 PolarHBondContact O-N 3.46Å; V173-C177 PolarHBondContact O-SG 3.31Å
174M93.5Very high82.2Confident50 Ų5042.5 Ų42.525%0.24626%0.255CS..Hα-helixtrans-57.5-41.1176.4-77.4178.3175.700112L6 L13 L170 G171 C177 S178L6-M174 HydrophobicContact CG-CB 4.39Å; L13-M174 HydrophobicContact CD2-SD 4.34Å; L170-M174 HydrophobicContact CD1-CE 3.81Å; L170-M174 HydrophobicContact CD2-CE 4.01Å; L170-M174 HydrophobicContact CG-CE 3.73Å; L170-M174 HydrophobicContact CG-SD 4.23Å; L170-M174 WeakPolarHBondContact O-CB 3.26Å; L170-M174 VanDerWaalsContact O-CG 3.23Å; L170-M174 WeakPolarHBondContact O-CG 3.06Å; L170-M174 PolarHBondContact O-N 3.36Å; G171-M174 PolarHBondContact O-N 2.9Å; M174-C177 PolarHBondContact O-N 3.09Å; M174-S178 WeakPolarHBondContact O-CB 3.35Å; M174-S178 PolarHBondContact O-N 3.08Å
175L92Very high79.5Confident0 Ų047.4 Ų47.40%029%0.289CS..Hα-helixtrans-64.8-43.6176.9-71.2159.1000111.4Q7 L99 G171 G172 V173 C177 S178 S179Q7-L175 HydrophobicContact CG-CD2 3.96Å; Q7-L175 WeakPolarHBondContact O-CD2 3.33Å; L99-L175 HydrophobicContact CD1-CD1 3.48Å; L99-L175 VanDerWaalsContact CD1-CD1 3.48Å; L99-L175 HydrophobicContact CD2-CD1 3.53Å; L99-L175 HydrophobicContact CD2-CD2 4.13Å; L99-L175 HydrophobicContact CD2-CG 4.28Å; L99-L175 HydrophobicContact CG-CD1 4.09Å; G171-L175 VanDerWaalsContact O-CD1 3.3Å; G171-L175 WeakPolarHBondContact O-CD1 3.43Å; G171-L175 VanDerWaalsContact O-CG 3.24Å; G171-L175 WeakPolarHBondContact O-CG 3.25Å; G171-L175 PolarHBondContact O-N 2.92Å; G172-L175 PolarHBondContact O-N 2.85Å; V173-L175 VanDerWaalsContact C-N 3.26Å; V173-L175 PolarHBondContact O-N 3.42Å; L175-C177 PolarHBondContact O-N 2.88Å; L175-S178 PolarHBondContact O-N 3.03Å; L175-S178 PolarHBondContact O-OG 3.36Å; L175-S179 PolarHBondContact O-N 3.4Å; L175-S179 PolarHBondContact O-OG 3.06Å
176M90.5Very high76.8Confident34 Ų3452.4 Ų52.417%0.16732%0.322CS..Hα-helixtrans-59.6-47.3174.6-64.4-47.687.700111.5A120 I121 V125 G172 V173 S178 S179 D180A120-M176 VanDerWaalsContact O-CE 3.25Å; A120-M176 WeakPolarHBondContact O-CE 3.39Å; I121-M176 HydrophobicContact CB-CE 4.48Å; I121-M176 HydrophobicContact CB-SD 4.26Å; I121-M176 HydrophobicContact CG2-SD 3.86Å; I121-M176 WeakPolarHBondContact O-CE 3.25Å; V125-M176 HydrophobicContact CG2-SD 3.69Å; G172-M176 WeakPolarHBondContact O-CG 3.38Å; G172-M176 PolarHBondContact O-N 2.85Å; V173-M176 PolarHBondContact O-N 3.1Å; V173-M176 VanDerWaalsContact O-N 3.15Å; M176-S178 PolarHBondContact O-N 3.49Å; M176-S179 WeakPolarHBondContact O-CB 3.46Å; M176-S179 PolarHBondContact O-N 2.9Å; M176-D180 PolarHBondContact O-N 3.37Å
177C88Confident73.8Confident65 Ų6559.4 Ų59.444%0.43934%0.339SS..Hα-helixtrans-68.4-35.1-177.7-63.90000112.7V173 M174 L175 S179 D180 S181V173-C177 PolarHBondContact O-N 3.46Å; V173-C177 PolarHBondContact O-SG 3.31Å; M174-C177 PolarHBondContact O-N 3.09Å; L175-C177 PolarHBondContact O-N 2.88Å; C177-S179 PolarHBondContact O-N 3.46Å; C177-D180 PolarHBondContact O-N 2.95Å; C177-S181 PolarHBondContact O-N 3.38Å
178S84.1Confident71Confident7 Ų761.5 Ų61.55%0.04936%0.363CS..Hα-helixtrans-61.6-32.1175740000111.9M174 L175 M176 S181M174-S178 WeakPolarHBondContact O-CB 3.35Å; M174-S178 PolarHBondContact O-N 3.08Å; L175-S178 PolarHBondContact O-N 3.03Å; L175-S178 PolarHBondContact O-OG 3.36Å; M176-S178 PolarHBondContact O-N 3.49Å; S178-S181 PolarHBondContact O-OG 3.27Å
179S70.3Confident68Low3 Ų371 Ų712%0.02140%0.4CS..Hα-helixtrans-82-34.3-179.9-740000113.8N117 A120 I121 L175 M176 C177 S182 A183N117-S179 PolarHBondContact ND2-O 3.48Å; N117-S179 WeakPolarHBondContact OD1-CA 3.35Å; N117-S179 WeakPolarHBondContact OD1-CB 3.47Å; N117-S179 PolarHBondContact OD1-OG 3.1Å; A120-S179 WeakPolarHBondContact CB-OG 3.21Å; I121-S179 VanDerWaalsContact CG1-CB 3.42Å; L175-S179 PolarHBondContact O-N 3.4Å; L175-S179 PolarHBondContact O-OG 3.06Å; M176-S179 WeakPolarHBondContact O-CB 3.46Å; M176-S179 PolarHBondContact O-N 2.9Å; C177-S179 PolarHBondContact O-N 3.46Å; S179-S182 CarbonylContact O-C 3.52Å; S179-S182 PolarHBondContact O-N 3.23Å; S179-S182 VanDerWaalsContact O-N 3.11Å; S179-S182 PolarHBondContact O-OG 3.2Å; S179-A183 PolarHBondContact O-N 3.39Å; S179-A183 VanDerWaalsContact O-N 3.11Å
180D59.2Low65.4Low102 Ų10277 Ų7755%0.54543%0.427SS..Hα-helixtrans-69.6-32.2176.1-96.5-20.3000113M176 C177 S182 A183 S184M176-D180 PolarHBondContact O-N 3.37Å; C177-D180 PolarHBondContact O-N 2.95Å; D180-S182 PolarHBondContact O-N 3.26Å; D180-S182 VanDerWaalsContact O-N 3.12Å; D180-A183 CarbonylContact O-C 3.57Å; D180-A183 WeakPolarHBondContact O-CA 3.32Å; D180-A183 PolarHBondContact O-N 3.07Å; D180-S184 PolarHBondContact O-N 2.95Å
181S51.7Low62.5Low54 Ų5478.2 Ų78.238%0.37843%0.434SS..THydrogen-bonded Turntrans-65.6-11.9171.168.20000113.9N3 C177 S178 S184N3-S181 PolarHBondContact ND2-OG 3.17Å; C177-S181 PolarHBondContact O-N 3.38Å; S178-S181 PolarHBondContact O-OG 3.27Å; S181-S184 PolarHBondContact O-OG 3.34Å
182S49.3Very low60.1Low70 Ų7084.8 Ų84.849%0.4947%0.469SS..THydrogen-bonded Turntrans-104.2-6.9168.243.80000113.4S179 D180S179-S182 CarbonylContact O-C 3.52Å; S179-S182 PolarHBondContact O-N 3.23Å; S179-S182 VanDerWaalsContact O-N 3.11Å; S179-S182 PolarHBondContact O-OG 3.2Å; D180-S182 PolarHBondContact O-N 3.26Å; D180-S182 VanDerWaalsContact O-N 3.12Å
183A43.4Very low57.6Low41 Ų4189 Ų8934%0.33949%0.492SS..THydrogen-bonded Turntrans-102.6-4.2173.100000113.5S179 D180 S185 P186S179-A183 PolarHBondContact O-N 3.39Å; S179-A183 VanDerWaalsContact O-N 3.11Å; D180-A183 CarbonylContact O-C 3.57Å; D180-A183 WeakPolarHBondContact O-CA 3.32Å; D180-A183 PolarHBondContact O-N 3.07Å; A183-S185 PolarHBondContact O-N 3.19Å; A183-P186 WeakPolarHBondContact O-CD 3.39Å
184S37.5Very low55.3Low95 Ų9592.8 Ų92.866%0.66450%0.504SS*.  trans-70.435173.360.30000114D180 S181 P186D180-S184 PolarHBondContact O-N 2.95Å; S181-S184 PolarHBondContact O-OG 3.34Å; S184-P186 VanDerWaalsContact C-CD 3.47Å
185S39.2Very low52.9Low104 Ų104100.3 Ų100.373%0.72753%0.531SS*.  trans-124.769.6151.944.10000111.1A183A183-S185 PolarHBondContact O-N 3.19Å
186P40.7Very low50.4Low108 Ų108110.2 Ų110.270%0.70157%0.57SS**  trans-96.974153.535.6-20.7000107.5A183 S184A183-P186 WeakPolarHBondContact O-CD 3.39Å; S184-P186 VanDerWaalsContact C-CD 3.47Å
187R35.2Very low48Very low231 Ų231119.6 Ų119.687%0.87261%0.605SS**  trans-13495.4157.4-78.1-162.3175.8166.10.8108.8Y189R187-Y189 PolarHBondContact O-N 2.79Å; R187-Y189 VanDerWaalsContact O-N 3.13Å
188S39.1Very low45.8Very low120 Ų120121.6 Ų121.684%0.83962%0.62SS**  19.286.3124.2-37.10000114.5
189Y34.8Very low43.7Very low200 Ų200130 Ų13078%0.78466%0.655SS**  trans-143.2100.7148.1-139.4-97.4000107.7R187 D191R187-Y189 PolarHBondContact O-N 2.79Å; R187-Y189 VanDerWaalsContact O-N 3.13Å; Y189-D191 HydrophobicContact CD1-CB 3.99Å; Y189-D191 PolarHBondContact O-N 3.26Å
190Q42.3Very low42.1Very low179 Ų179139.1 Ų139.184%0.83670%0.697SS**  trans-59.286.8158-179167.6-49.800106.9
191D36.9Very low40.9Very low106 Ų106137.7 Ų137.757%0.56771%0.707SS**  trans-10284.6167.2-141.89.1000108.5Y189 N193Y189-D191 HydrophobicContact CD1-CB 3.99Å; Y189-D191 PolarHBondContact O-N 3.26Å; D191-N193 PolarHBondContact O-N 3.33Å
192N44.8Very low39.9Very low137 Ų137139 Ų13973%0.73373%0.73SS**  trans-58.291150.2-95.9-20.6000107
193N42.5Very low39.2Very low90 Ų90139.3 Ų139.348%0.48174%0.744SS.*  trans-127.980.5165.6-129.6-5.5000109.9D191 Y195D191-N193 PolarHBondContact O-N 3.33Å; N193-Y195 WeakPolarHBondContact O-CD2 3.49Å; N193-Y195 PolarHBondContact O-N 2.91Å; N193-Y195 VanDerWaalsContact O-N 3.07Å
194H46.3Very low38.7Very low153 Ų153143.4 Ų143.471%0.70877%0.769SS**  trans-51.2105.8150.5-86.3-132.9000107.9Y196H194-Y196 VanDerWaalsContact C-N 3.31Å; H194-Y196 HydrophobicContact CB-CD2 4.43Å; H194-Y196 PolarHBondContact O-N 3.17Å
195Y43Very low38.6Very low208 Ų208146.6 Ų146.682%0.81678%0.778SS**  trans-71.191.1170.1-70.3-83.6000109.2N193 Y197N193-Y195 WeakPolarHBondContact O-CD2 3.49Å; N193-Y195 PolarHBondContact O-N 2.91Å; N193-Y195 VanDerWaalsContact O-N 3.07Å; Y195-Y197 PolarHBondContact O-N 3.25Å
196Y39.5Very low38.8Very low207 Ų207147.1 Ų147.181%0.81278%0.779SS**  trans-66.3107.6158.2-88.2-89.8000108.4H194 S198H194-Y196 VanDerWaalsContact C-N 3.31Å; H194-Y196 HydrophobicContact CB-CD2 4.43Å; H194-Y196 PolarHBondContact O-N 3.17Å; Y196-S198 PolarHBondContact O-N 3.36Å
197Y39.4Very low38.3Very low231 Ų231148 Ų14891%0.90678%0.783SS**  trans-71.1105.8170.6-165.5-94.3000109Y195Y195-Y197 PolarHBondContact O-N 3.25Å
198S43Very low38.3Very low107 Ų107141.6 Ų141.675%0.74878%0.778SS**  trans-130.1106.516962.40000112.4Y196Y196-S198 PolarHBondContact O-N 3.36Å
199K39.8Very low38Very low183 Ų183141 Ų14180%0.79678%0.775SS**  trans59111.2132.5-158176-175.31790120.5
200H37.5Very low37.9Very low195 Ų195135.9 Ų135.990%0.90377%0.768SS**  trans-149.1125.1131.9-104.9-83.8000105.1
201G32.3Very low37.4Very low72 Ų72133.8 Ų133.874%0.74276%0.763SS**  cis104.179.73900000108.4
202G31.3Very low37.4Very low83 Ų83136.4 Ų136.486%0.85677%0.771SS**  trans-177.884.817900000115.5
203G33.8Very low37.1Very low76 Ų76138.1 Ų138.178%0.78477%0.774SS**  trans55.7103.5144.800000121.7
204S34.2Very low36.9Very low126 Ų126138.4 Ų138.488%0.88179%0.789SS**  -178.6129.9126.434.30000111
205L34.7Very low36.6Very low163 Ų163141.3 Ų141.385%0.85380%0.799SS**  trans-63.8154.8170.1-97.3126.3000110.6
206P43.4Very low36.3Very low114 Ų114136.9 Ų136.974%0.7480%0.799SS**  -145.2158.16726.7-2.3000118.4
207V31Very low36.2Very low128 Ų128130.8 Ų130.878%0.77679%0.792SS**  trans72115.2136.3176.40000121
208A34.2Very low35.8Very low95 Ų95128.5 Ų128.579%0.78579%0.789SS**  trans54.9120.4141.600000121.8
209S33.6Very low35.4Very low109 Ų109133.1 Ų133.176%0.76281%0.812SS**  -173.6128.1107.7-169.90000113
210S32.9Very low35.2Very low92 Ų92130.6 Ų130.664%0.64381%0.813SS**  trans19.8128.8150.862.60000123.9
211N30.8Very low35.1Very low135 Ų135127.2 Ų127.272%0.72281%0.808SS**  50.8124.4129.5-56.6-16.7000120.2
212H37Very low35.2Very low161 Ų161130.3 Ų130.375%0.74581%0.812SS**  175.4120.995-95.1-82.8000111.9
213H38.8Very low35.5Very low173 Ų173133.1 Ų133.180%0.80181%0.809SS**  trans48.5117135.3-87.2-89.9000122.4
214A37.6Very low35.6Very low95 Ų95136.6 Ų136.679%0.78581%0.811SS**  trans-32.3145.2155.300000116.8
215K40.1Very low35.7Very low214 Ų214137.3 Ų137.393%0.9381%0.806SS**  trans-124.4115153.7-157.2174.8-176.5-1760109.5
216S38.1Very low35.7Very low116 Ų116135.5 Ų135.581%0.81180%0.802SS**  trans-65.9151.4179.5-164.60000112.5
217A37.1Very low35.1Very low79 Ų79137.2 Ų137.265%0.65381%0.807SS**  trans-89.6161161.600000110.9
218H31.8Very low35.5Very low182 Ų182137.9 Ų137.984%0.84381%0.81SS**  trans87.9121.8158.1-95.7-78.3000121.4
219V33.9Very low35.6Very low204 Ų204141.8 Ų141.8100%1.23681%0.812SS**  trans67.70155.9-163.50000118

Retrieved 219 of 219 residues in 391.5 ms (Link to these results)

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