A0A087XRS4_POEFO Loading...

Clarin 1

AlphaFold DB , UniProt , Accession A0A087XRS4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 232 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.8Very low81.8Confident217 Ų21780.4 Ų80.4100%1.06939%0.393SS*.  0140.70-69.2-180170.900107.6
2P59.1Low82.9Confident43 Ų4377.2 Ų77.228%0.27939%0.385SS..  trans-59.8141.6176.223-29.5000110.1K6 A123P2-K6 HydrophobicContact CB-CB 4.42Å; P2-A123 WeakPolarHBondContact CG-O 3.48Å
3N79.6Confident83.8Confident65 Ų6571.4 Ų71.435%0.34836%0.356SS..  trans-56.4142.8174.4-1785.8000109.7Q5 K6 Q7 Q216N3-Q5 PolarHBondContact O-N 3.26Å; N3-K6 WeakPolarHBondContact O-CB 3.38Å; N3-K6 PolarHBondContact O-N 3.02Å; N3-Q7 PolarHBondContact O-N 2.8Å; N3-Q7 VanDerWaalsContact O-N 3.08Å; N3-Q216 PolarHBondContact ND2-OE1 3.34Å; N3-Q216 PolarHBondContact OD1-NE2 2.99Å; N3-Q216 PolarHBondContact OD1-OE1 2.95Å
4R83.8Confident84.6Confident203 Ų20366.3 Ų66.377%0.76633%0.331SS*.Hα-helixtrans-48.1-38.4-179.8-83.1-172170.9-169.7-2112.6Q7 V8R4-Q7 PolarHBondContact O-N 3.18Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 3.04Å
5Q84.7Confident85.5Confident31 Ų3168.5 Ų68.515%0.14534%0.344CS..Hα-helixtrans-58-49.7174.9-175.9-164-35.100112.4N3 Q7 V8 L9 I211 F213N3-Q5 PolarHBondContact O-N 3.26Å; Q5-Q7 VanDerWaalsContact C-N 3.32Å; Q5-Q7 PolarHBondContact O-N 2.75Å; Q5-V8 PolarHBondContact O-N 3.47Å; Q5-L9 HydrophobicContact CG-CD1 4.18Å; Q5-L9 WeakPolarHBondContact O-CG 3.37Å; Q5-L9 PolarHBondContact O-N 3.03Å; Q5-I211 PolarHBondContact NE2-O 3.22Å; Q5-I211 VanDerWaalsContact NE2-O 3.09Å; Q5-F213 HydrophobicContact CG-CD2 4.36Å
6K85.3Confident86.2Confident82 Ų8266.9 Ų66.936%0.35734%0.336SS..Hα-helixtrans-64.7-39.8-179.9-69.4-175.1175.9-172.60111.1P2 N3 L9 F10 T209P2-K6 HydrophobicContact CB-CB 4.42Å; N3-K6 WeakPolarHBondContact O-CB 3.38Å; N3-K6 PolarHBondContact O-N 3.02Å; K6-L9 PolarHBondContact O-N 3.08Å; K6-F10 HydrophobicContact CB-CD2 4.34Å; K6-F10 HydrophobicContact CB-CE2 4.26Å; K6-F10 WeakPolarHBondContact O-CB 3.49Å; K6-F10 WeakPolarHBondContact O-CD2 3.37Å; K6-F10 WeakPolarHBondContact O-CG 3.32Å; K6-F10 PolarHBondContact O-N 3.49Å; K6-T209 VanDerWaalsContact CE-O 3.24Å; K6-T209 WeakPolarHBondContact CE-O 3.24Å
7Q88.5Confident86.8Confident68 Ų6863 Ų6332%0.31832%0.317SS..Hα-helixtrans-60-46.9176.5-172.7177.412.300111.4N3 R4 Q5 F10 C11N3-Q7 PolarHBondContact O-N 2.8Å; N3-Q7 VanDerWaalsContact O-N 3.08Å; R4-Q7 PolarHBondContact O-N 3.18Å; Q5-Q7 VanDerWaalsContact C-N 3.32Å; Q5-Q7 PolarHBondContact O-N 2.75Å; Q7-F10 PolarHBondContact O-N 3.38Å; Q7-C11 VanDerWaalsContact O-CB 3.32Å; Q7-C11 WeakPolarHBondContact O-CB 3.47Å; Q7-C11 PolarHBondContact O-N 3.05Å; Q7-C11 PolarHBondContact O-SG 2.88Å
8V90.9Very high87.5Confident101 Ų10163.2 Ų63.261%0.61232%0.318SS*.Hα-helixtrans-62-46.2177.4172.20000111.4R4 Q5 C11 S12R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 3.04Å; Q5-V8 PolarHBondContact O-N 3.47Å; V8-C11 PolarHBondContact O-N 2.86Å; V8-S12 PolarHBondContact O-N 3.25Å; V8-S12 PolarHBondContact O-OG 3.05Å
9L91.9Very high88Confident23 Ų2362.8 Ų62.812%0.1232%0.321CS..Hα-helixtrans-61.8-45.9179.8-70.9171.3000112Q5 K6 S12 A13 L205 L208 T209Q5-L9 HydrophobicContact CG-CD1 4.18Å; Q5-L9 WeakPolarHBondContact O-CG 3.37Å; Q5-L9 PolarHBondContact O-N 3.03Å; K6-L9 PolarHBondContact O-N 3.08Å; L9-S12 WeakPolarHBondContact CA-OG 3.46Å; L9-S12 PolarHBondContact O-N 3.37Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 3.09Å; L9-L205 HydrophobicContact CD2-CD2 3.97Å; L9-L208 HydrophobicContact CD1-CB 4.19Å; L9-T209 HydrophobicContact CB-CG2 3.65Å; L9-T209 HydrophobicContact CD1-CG2 3.83Å; L9-T209 HydrophobicContact CG-CG2 4.4Å
10F92.3Very high88.5Confident15 Ų1559.7 Ų59.77%0.06631%0.305CS..Hα-helixtrans-68.4-38.4177.6-72.2-47.6000112.6K6 Q7 S12 A13 G14 F119 N122 A123 L137 T209K6-F10 HydrophobicContact CB-CD2 4.34Å; K6-F10 HydrophobicContact CB-CE2 4.26Å; K6-F10 WeakPolarHBondContact O-CB 3.49Å; K6-F10 WeakPolarHBondContact O-CD2 3.37Å; K6-F10 WeakPolarHBondContact O-CG 3.32Å; K6-F10 PolarHBondContact O-N 3.49Å; Q7-F10 PolarHBondContact O-N 3.38Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.3Å; F10-A13 PolarHBondContact O-N 3.34Å; F10-G14 PolarHBondContact O-N 2.9Å; F10-F119 AromaticContact CD1-CD1 3.98Å; F10-F119 HydrophobicContact CD1-CD1 3.98Å; F10-N122 HydrophobicContact CD1-CB 4.22Å; F10-N122 HydrophobicContact CD2-CB 3.95Å; F10-N122 HydrophobicContact CE1-CB 4.27Å; F10-N122 HydrophobicContact CE2-CB 4.03Å; F10-N122 HydrophobicContact CG-CB 4.06Å; F10-N122 HydrophobicContact CZ-CB 4.19Å; F10-A123 HydrophobicContact CB-CB 3.74Å; F10-L137 HydrophobicContact CD1-CD1 4.26Å; F10-L137 HydrophobicContact CE1-CD1 3.59Å; F10-L137 HydrophobicContact CZ-CD1 4.34Å; F10-T209 HydrophobicContact CD1-CG2 4.03Å; F10-T209 HydrophobicContact CE1-CG2 3.69Å; F10-T209 HydrophobicContact CE2-CG2 4.23Å; F10-T209 HydrophobicContact CG-CG2 4.46Å; F10-T209 HydrophobicContact CZ-CG2 3.79Å
11C93.6Very high89Confident36 Ų3657 Ų5724%0.24329%0.292CS..Hα-helixtrans-61.3-43172.2-750000111.8Q7 V8 G14 L15Q7-C11 VanDerWaalsContact O-CB 3.32Å; Q7-C11 WeakPolarHBondContact O-CB 3.47Å; Q7-C11 PolarHBondContact O-N 3.05Å; Q7-C11 PolarHBondContact O-SG 2.88Å; V8-C11 PolarHBondContact O-N 2.86Å; C11-G14 PolarHBondContact O-N 3.48Å; C11-L15 WeakPolarHBondContact O-CB 3.16Å; C11-L15 PolarHBondContact O-N 2.95Å
12S95.1Very high91.3Very high42 Ų4251.7 Ų51.729%0.29427%0.267SS..Hα-helixtrans-63.3-45.9176.762.50000111.9V8 L9 F10 G14 L15 L16V8-S12 PolarHBondContact O-N 3.25Å; V8-S12 PolarHBondContact O-OG 3.05Å; L9-S12 WeakPolarHBondContact CA-OG 3.46Å; L9-S12 PolarHBondContact O-N 3.37Å; L9-S12 PolarHBondContact O-OG 3.33Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.3Å; S12-G14 VanDerWaalsContact C-N 3.33Å; S12-G14 PolarHBondContact O-N 2.71Å; S12-L15 PolarHBondContact O-N 3.38Å; S12-L16 WeakPolarHBondContact O-CB 3.39Å; S12-L16 VanDerWaalsContact O-CG 3.26Å; S12-L16 WeakPolarHBondContact O-CG 3.34Å; S12-L16 PolarHBondContact O-N 3.42Å
13A94.9Very high93.1Very high2 Ų251.8 Ų51.82%0.01727%0.269CS..Hα-helixtrans-64.9-38.2178.800000112L9 F10 L16 S17 F119 N202 L205L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 3.09Å; F10-A13 PolarHBondContact O-N 3.34Å; A13-L16 PolarHBondContact O-N 3.06Å; A13-S17 WeakPolarHBondContact O-CB 3.42Å; A13-S17 PolarHBondContact O-N 3.08Å; A13-S17 PolarHBondContact O-OG 3.23Å; A13-F119 HydrophobicContact CB-CD1 3.6Å; A13-F119 HydrophobicContact CB-CD2 4.07Å; A13-F119 HydrophobicContact CB-CE1 3.57Å; A13-F119 HydrophobicContact CB-CE2 4.08Å; A13-F119 HydrophobicContact CB-CG 3.86Å; A13-F119 HydrophobicContact CB-CZ 3.83Å; A13-N202 WeakPolarHBondContact CA-OD1 3.05Å; A13-N202 PolarHBondContact O-ND2 2.82Å; A13-L205 HydrophobicContact CB-CB 4.39Å; A13-L205 HydrophobicContact CB-CD1 3.97Å
14G95.4Very high94Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-63.9-43.6175.500000113F10 C11 S12 S17 L18 S116F10-G14 PolarHBondContact O-N 2.9Å; C11-G14 PolarHBondContact O-N 3.48Å; S12-G14 VanDerWaalsContact C-N 3.33Å; S12-G14 PolarHBondContact O-N 2.71Å; G14-S17 PolarHBondContact O-N 2.65Å; G14-L18 WeakPolarHBondContact O-CB 3.19Å; G14-L18 PolarHBondContact O-N 3.32Å; G14-S116 WeakPolarHBondContact O-CB 3.44Å; G14-S116 PolarHBondContact O-OG 2.92Å
15L97.4Very high94.6Very high100 Ų10041.4 Ų41.452%0.52424%0.236SC..Hα-helixtrans-65.6-44.4175.8-176.563.3000111.3C11 S12 S17 L18 C19C11-L15 WeakPolarHBondContact O-CB 3.16Å; C11-L15 PolarHBondContact O-N 2.95Å; S12-L15 PolarHBondContact O-N 3.38Å; L15-S17 PolarHBondContact O-N 3.07Å; L15-L18 WeakPolarHBondContact O-CB 3.25Å; L15-L18 PolarHBondContact O-N 3.16Å; L15-C19 PolarHBondContact O-N 3.38Å; L15-C19 PolarHBondContact O-SG 3.45Å
16L97.1Very high95.3Very high43 Ų4344 Ų4423%0.22525%0.254CS..Hα-helixtrans-60.3-45.7176.7-70.8175.5000111.7S12 A13 L18 C19 C20 L198 L201 N202 L205S12-L16 WeakPolarHBondContact O-CB 3.39Å; S12-L16 VanDerWaalsContact O-CG 3.26Å; S12-L16 WeakPolarHBondContact O-CG 3.34Å; S12-L16 PolarHBondContact O-N 3.42Å; A13-L16 PolarHBondContact O-N 3.06Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 2.93Å; L16-C19 PolarHBondContact O-N 2.94Å; L16-C20 PolarHBondContact O-N 3.32Å; L16-C20 PolarHBondContact O-SG 3.32Å; L16-L198 HydrophobicContact CD2-CD2 4.07Å; L16-L201 HydrophobicContact CD1-CD2 3.32Å; L16-N202 WeakPolarHBondContact CD1-OD1 3.47Å; L16-L205 HydrophobicContact CD1-CD1 3.9Å
17S97Very high95.8Very high0 Ų040.3 Ų40.30%024%0.238CC..Hα-helixtrans-62.3-37.7175.7-72.30000112.7A13 G14 L15 C20 A21 F119 N202A13-S17 WeakPolarHBondContact O-CB 3.42Å; A13-S17 PolarHBondContact O-N 3.08Å; A13-S17 PolarHBondContact O-OG 3.23Å; G14-S17 PolarHBondContact O-N 2.65Å; L15-S17 PolarHBondContact O-N 3.07Å; S17-C20 WeakPolarHBondContact O-CB 3.26Å; S17-C20 PolarHBondContact O-N 2.96Å; S17-A21 PolarHBondContact O-N 3.43Å; S17-F119 WeakPolarHBondContact OG-CE2 3.24Å; S17-N202 PolarHBondContact OG-ND2 3.04Å
18L98Very high96.2Very high67 Ų6737.6 Ų37.635%0.35123%0.226SC..Hα-helixtrans-65.6-45175.6-176.962.6000111.1G14 L15 L16 C20 A21 L22G14-L18 WeakPolarHBondContact O-CB 3.19Å; G14-L18 PolarHBondContact O-N 3.32Å; L15-L18 WeakPolarHBondContact O-CB 3.25Å; L15-L18 PolarHBondContact O-N 3.16Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 2.93Å; L18-C20 VanDerWaalsContact C-N 3.3Å; L18-C20 PolarHBondContact O-N 3.15Å; L18-A21 PolarHBondContact O-N 3.45Å; L18-L22 HydrophobicContact CG-CD1 4.31Å; L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.42Å
19C98.1Very high96.3Very high55 Ų5535.1 Ų35.137%0.37222%0.221SC..Hα-helixtrans-59.8-41.2174.4-70.30000111.5L15 L16 S23L15-C19 PolarHBondContact O-N 3.38Å; L15-C19 PolarHBondContact O-SG 3.45Å; L16-C19 PolarHBondContact O-N 2.94Å; C19-S23 WeakPolarHBondContact O-CB 3.48Å; C19-S23 PolarHBondContact O-N 3.11Å; C19-S23 PolarHBondContact O-OG 3.24Å
20C97.8Very high96.5Very high0 Ų037.4 Ų37.40%023%0.233CC..Hα-helixtrans-60.4-46.8173.7-72.20000111.8L16 S17 L18 L22 S23 A24 I195 L198L16-C20 PolarHBondContact O-N 3.32Å; L16-C20 PolarHBondContact O-SG 3.32Å; S17-C20 WeakPolarHBondContact O-CB 3.26Å; S17-C20 PolarHBondContact O-N 2.96Å; L18-C20 VanDerWaalsContact C-N 3.3Å; L18-C20 PolarHBondContact O-N 3.15Å; C20-L22 PolarHBondContact O-N 2.86Å; C20-S23 PolarHBondContact O-N 2.96Å; C20-A24 WeakPolarHBondContact O-CB 3.48Å; C20-A24 PolarHBondContact O-N 2.94Å; C20-I195 HydrophobicContact CB-CG2 3.97Å; C20-L198 WeakPolarHBondContact SG-CB 3.43Å
21A98Very high96.7Very high3 Ų338.6 Ų38.63%0.02524%0.242CC..Hα-helixtrans-60.1-48.5179.500000112.2S17 L18 A24 A25 S113S17-A21 PolarHBondContact O-N 3.43Å; L18-A21 PolarHBondContact O-N 3.45Å; A21-A24 PolarHBondContact O-N 3.49Å; A21-A25 PolarHBondContact O-N 3.5Å; A21-S113 WeakPolarHBondContact CB-OG 3.45Å
22L98.2Very high96.8Very high106 Ų10641.5 Ų41.556%0.55525%0.249SC*.Hα-helixtrans-65.1-44.9178.7-66.8175000111.5L18 C20 A25 V26L18-L22 HydrophobicContact CG-CD1 4.31Å; L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.42Å; C20-L22 PolarHBondContact O-N 2.86Å; L22-A25 PolarHBondContact O-N 3.39Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.1Å
23S97.8Very high96.9Very high45 Ų4539.5 Ų39.532%0.31524%0.235SC..Hα-helixtrans-63.5-44.9178.9-57.90000110.9C19 C20 A25 V26 V27C19-S23 WeakPolarHBondContact O-CB 3.48Å; C19-S23 PolarHBondContact O-N 3.11Å; C19-S23 PolarHBondContact O-OG 3.24Å; C20-S23 PolarHBondContact O-N 2.96Å; S23-A25 VanDerWaalsContact C-N 3.33Å; S23-A25 PolarHBondContact O-N 3.41Å; S23-V26 PolarHBondContact O-N 3.47Å; S23-V27 WeakPolarHBondContact O-CG1 3.46Å; S23-V27 VanDerWaalsContact O-CG2 3.27Å; S23-V27 WeakPolarHBondContact O-CG2 3.43Å; S23-V27 PolarHBondContact O-N 3.36Å
24A97.9Very high97Very high0 Ų039.5 Ų39.50%023%0.234CC..Hα-helixtrans-57.6-45.5176.300000111.1C20 A21 T28 V108 V109 F192 I195C20-A24 WeakPolarHBondContact O-CB 3.48Å; C20-A24 PolarHBondContact O-N 2.94Å; A21-A24 PolarHBondContact O-N 3.49Å; A24-T28 VanDerWaalsContact O-CB 3.28Å; A24-T28 WeakPolarHBondContact O-CB 3.35Å; A24-T28 PolarHBondContact O-N 2.83Å; A24-T28 PolarHBondContact O-OG1 2.77Å; A24-V108 HydrophobicContact CB-CG1 4.07Å; A24-V109 HydrophobicContact CB-CG2 3.64Å; A24-F192 HydrophobicContact CB-CE2 4.46Å; A24-I195 HydrophobicContact CB-CD1 3.88Å
25A97.7Very high97.1Very high50 Ų5045.3 Ų45.341%0.41326%0.256SS..Hα-helixtrans-61.8-46.317800000111.9A21 L22 S23 G29 V109A21-A25 PolarHBondContact O-N 3.5Å; L22-A25 PolarHBondContact O-N 3.39Å; S23-A25 VanDerWaalsContact C-N 3.33Å; S23-A25 PolarHBondContact O-N 3.41Å; A25-G29 PolarHBondContact O-N 3Å; A25-V109 HydrophobicContact CB-CG1 4.31Å; A25-V109 HydrophobicContact CB-CG2 4.02Å
26V97.6Very high97Very high86 Ų8640.8 Ų40.852%0.52123%0.233SC..Hα-helixtrans-64.3-51.1179.7170.40000111.4L22 S23 T28 G29 L30L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.1Å; S23-V26 PolarHBondContact O-N 3.47Å; V26-T28 VanDerWaalsContact C-N 3.3Å; V26-T28 PolarHBondContact O-N 3.27Å; V26-G29 PolarHBondContact O-N 2.89Å; V26-G29 VanDerWaalsContact O-N 3.15Å; V26-L30 HydrophobicContact CG1-CD1 3.68Å; V26-L30 HydrophobicContact CG1-CG 4.33Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 3.06Å
27V97.1Very high96.9Very high4 Ų440.5 Ų40.52%0.02423%0.233CC..Hα-helixtrans-68.2-32.4-175.2-600000112.1S23 G29 L30 W33 C188 I191 F192S23-V27 WeakPolarHBondContact O-CG1 3.46Å; S23-V27 VanDerWaalsContact O-CG2 3.27Å; S23-V27 WeakPolarHBondContact O-CG2 3.43Å; S23-V27 PolarHBondContact O-N 3.36Å; V27-G29 PolarHBondContact O-N 3.34Å; V27-L30 PolarHBondContact O-N 3.18Å; V27-W33 HydrophobicContact CG2-CZ2 4.32Å; V27-W33 PolarHBondContact O-NE1 3.49Å; V27-C188 HydrophobicContact CB-CB 3.89Å; V27-C188 HydrophobicContact CG1-CB 4.32Å; V27-I191 HydrophobicContact CG1-CB 3.84Å; V27-I191 HydrophobicContact CG1-CD1 4.02Å; V27-I191 HydrophobicContact CG1-CG2 3.54Å; V27-F192 HydrophobicContact CG2-CD2 3.72Å
28T96.3Very high96.8Very high12 Ų1240.7 Ų40.77%0.07423%0.234CC..Hα-helixtrans-60.4-34175.3-56.50000111.5A24 V26 L65 F66 C105A24-T28 VanDerWaalsContact O-CB 3.28Å; A24-T28 WeakPolarHBondContact O-CB 3.35Å; A24-T28 PolarHBondContact O-N 2.83Å; A24-T28 PolarHBondContact O-OG1 2.77Å; V26-T28 VanDerWaalsContact C-N 3.3Å; V26-T28 PolarHBondContact O-N 3.27Å; T28-L65 HydrophobicContact CG2-CD1 3.83Å; T28-F66 HydrophobicContact CG2-CE2 4Å; T28-F66 WeakPolarHBondContact O-CD2 3.39Å; T28-F66 WeakPolarHBondContact O-CE2 3.49Å; T28-C105 HydrophobicContact CG2-CB 3.68Å; T28-C105 WeakPolarHBondContact OG1-CB 3.37Å
29G93.9Very high96.7Very high48 Ų4838.7 Ų38.750%0.49522%0.224SC..Hα-helixtrans-84.3-19.3179.600000115.6A25 V26 V27A25-G29 PolarHBondContact O-N 3Å; V26-G29 PolarHBondContact O-N 2.89Å; V26-G29 VanDerWaalsContact O-N 3.15Å; V27-G29 PolarHBondContact O-N 3.34Å
30L95.9Very high96.5Very high71 Ų7136 Ų3637%0.37221%0.206SC..SBendtrans-88.6146.6-172.8-74175.9000113.1V26 V27 Y32 C188V26-L30 HydrophobicContact CG1-CD1 3.68Å; V26-L30 HydrophobicContact CG1-CG 4.33Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 3.06Å; V27-L30 PolarHBondContact O-N 3.18Å; L30-Y32 HydrophobicContact CB-CD2 4.07Å; L30-Y32 HydrophobicContact CD2-CE2 4.36Å; L30-Y32 PolarHBondContact O-N 2.91Å; L30-Y32 VanDerWaalsContact O-N 3.14Å; L30-C188 VanDerWaalsContact CB-SG 3.58Å
31P95.2Very high96.3Very high40 Ų4041.5 Ų41.526%0.2623%0.227SC..SBendtrans-85.326.2-17536.7-38.2000114.4S62 Y63 H67P31-S62 PolarHBondContact O-OG 3.23Å; P31-Y63 VanDerWaalsContact C-C 3.45Å; P31-Y63 CarbonylContact C-O 3.53Å; P31-Y63 CarbonylContact O-C 3.56Å; P31-Y63 WeakPolarHBondContact O-CA 3.11Å; P31-Y63 PolarHBondContact O-N 3.49Å; P31-H67 WeakPolarHBondContact CB-O 3.48Å
32Y96.5Very high96Very high98 Ų9842.8 Ų42.838%0.38423%0.234SC..  trans-117.942.6-171-50.3-65.9000112.4L30 D186 R187 C188L30-Y32 HydrophobicContact CB-CD2 4.07Å; L30-Y32 HydrophobicContact CD2-CE2 4.36Å; L30-Y32 PolarHBondContact O-N 2.91Å; L30-Y32 VanDerWaalsContact O-N 3.14Å; Y32-D186 CarbonylContact O-C 3.36Å; Y32-D186 WeakPolarHBondContact O-CB 3.37Å; Y32-R187 PolarHBondContact O-N 3.49Å; Y32-C188 WeakPolarHBondContact O-CB 3.02Å; Y32-C188 PolarHBondContact O-N 3.42Å
33W97.6Very high95.6Very high0 Ų038 Ų380%021%0.211CC..SBendtrans-86-41.9175.2-77.866.4000112.1V27 Y63 L65 V151 F155 D186 C188 F189 F192V27-W33 HydrophobicContact CG2-CZ2 4.32Å; V27-W33 PolarHBondContact O-NE1 3.49Å; W33-Y63 WeakPolarHBondContact CB-O 3.25Å; W33-Y63 PolarHBondContact N-O 3.26Å; W33-L65 HydrophobicContact CD2-CD2 4.43Å; W33-L65 HydrophobicContact CD2-CG 4.23Å; W33-L65 HydrophobicContact CH2-CD1 4.07Å; W33-L65 HydrophobicContact CZ2-CD1 3.61Å; W33-L65 HydrophobicContact CZ2-CG 4.15Å; W33-V151 HydrophobicContact CH2-CG1 3.89Å; W33-V151 HydrophobicContact CZ3-CG1 4.14Å; W33-F155 HydrophobicContact CB-CE1 4.08Å; W33-F155 HydrophobicContact CB-CE2 4.17Å; W33-F155 HydrophobicContact CB-CZ 3.58Å; W33-F155 AromaticContact CE3-CD1 3.87Å; W33-F155 HydrophobicContact CE3-CD1 3.87Å; W33-F155 HydrophobicContact CE3-CD2 4.02Å; W33-F155 AromaticContact CE3-CE1 3.96Å; W33-F155 HydrophobicContact CE3-CE1 3.96Å; W33-F155 HydrophobicContact CE3-CE2 4.12Å; W33-F155 AromaticContact CE3-CG 3.89Å; W33-F155 HydrophobicContact CE3-CG 3.89Å; W33-F155 HydrophobicContact CE3-CZ 4.09Å; W33-F155 HydrophobicContact CG-CZ 4.39Å; W33-F155 HydrophobicContact CZ3-CB 4.44Å; W33-F155 HydrophobicContact CZ3-CD1 4.4Å; W33-F155 HydrophobicContact CZ3-CG 4.19Å; W33-D186 PolarHBondContact O-N 2.89Å; W33-C188 VanDerWaalsContact CD1-CB 3.42Å; W33-C188 HydrophobicContact CD2-CB 4.22Å; W33-C188 HydrophobicContact CG-CB 3.84Å; W33-F189 HydrophobicContact CE3-CB 4.49Å; W33-F189 HydrophobicContact CE3-CD2 4.34Å; W33-F192 HydrophobicContact CH2-CB 4.24Å; W33-F192 AromaticContact CH2-CD2 3.65Å; W33-F192 HydrophobicContact CH2-CD2 3.65Å; W33-F192 HydrophobicContact CH2-CE2 4.16Å; W33-F192 AromaticContact CH2-CG 3.93Å; W33-F192 HydrophobicContact CH2-CG 3.93Å; W33-F192 HydrophobicContact CZ2-CD2 4.01Å
34L97.3Very high95.3Very high1 Ų136.3 Ų36.31%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-132.1139.1175.7-163.587.1000109.9S62 Y63 F155 V159 S165 E183 R184 Y185L34-S62 WeakPolarHBondContact O-CA 3.22Å; L34-Y63 HydrophobicContact CB-CD2 4.45Å; L34-Y63 HydrophobicContact CB-CE1 4.1Å; L34-Y63 HydrophobicContact CB-CE2 3.98Å; L34-Y63 HydrophobicContact CD2-CE1 3.62Å; L34-Y63 HydrophobicContact CD2-CE2 4.43Å; L34-Y63 VanDerWaalsContact CD2-CZ 3.48Å; L34-Y63 WeakPolarHBondContact CD2-OH 3.49Å; L34-Y63 HydrophobicContact CG-CE1 4.44Å; L34-Y63 PolarHBondContact N-O 2.8Å; L34-Y63 VanDerWaalsContact N-O 3.12Å; L34-Y63 PolarHBondContact O-N 2.89Å; L34-F155 HydrophobicContact CB-CZ 4.3Å; L34-V159 HydrophobicContact CD1-CG1 4.06Å; L34-V159 HydrophobicContact CD1-CG2 4.37Å; L34-V159 HydrophobicContact CD2-CG1 3.96Å; L34-V159 HydrophobicContact CD2-CG2 4.46Å; L34-S165 WeakPolarHBondContact CD2-OG 3.46Å; L34-E183 HydrophobicContact CD1-CB 4.5Å; L34-E183 HydrophobicContact CD2-CB 4.32Å; L34-E183 HydrophobicContact CD2-CG 4.33Å; L34-R184 WeakPolarHBondContact CD1-O 3.38Å; L34-Y185 HydrophobicContact CD1-CD1 3.71Å; L34-Y185 HydrophobicContact CD1-CE1 3.92Å; L34-Y185 HydrophobicContact CD1-CG 4.36Å
35R97.1Very high95Very high123 Ų12341.6 Ų41.646%0.46422%0.224SC..EExtended strand (participates in β ladder)trans-117.4127.7162.1-179173.7-77.5164.1-7.6108.9L61 R184 D186R35-L61 CarbonylContact C-O 3.09Å; R35-L61 WeakPolarHBondContact CA-O 3.27Å; R35-R184 PolarHBondContact N-O 3.45Å; R35-R184 PolarHBondContact O-N 3.21Å; R35-D186 HydrophobicContact CB-CB 4.38Å
36G95.5Very high94.7Very high4 Ų445.9 Ų45.94%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-132.8168179.100000112.2L61 S182G36-L61 PolarHBondContact N-O 3.32Å; G36-L61 PolarHBondContact O-N 2.89Å; G36-S182 CarbonylContact C-O 3.55Å; G36-S182 WeakPolarHBondContact CA-O 3.45Å
37V95.6Very high94.4Very high37 Ų3746.1 Ų46.122%0.22424%0.241CC..EExtended strand (participates in β ladder)trans-122.9131.4170.5-177.50000106.9L58 G59 H181 S182V37-L58 HydrophobicContact CG1-CB 3.77Å; V37-L58 HydrophobicContact CG1-CD1 4.28Å; V37-L58 HydrophobicContact CG1-CD2 3.88Å; V37-L58 HydrophobicContact CG1-CG 4.18Å; V37-G59 CarbonylContact C-O 3.34Å; V37-G59 VanDerWaalsContact CA-O 3.3Å; V37-G59 WeakPolarHBondContact CA-O 3.43Å; V37-G59 WeakPolarHBondContact CG1-O 3.38Å; V37-H181 HydrophobicContact CB-CB 4.49Å; V37-H181 HydrophobicContact CG1-CB 4.4Å; V37-H181 WeakPolarHBondContact O-CA 3.26Å; V37-H181 WeakPolarHBondContact O-CB 3.31Å; V37-H181 PolarHBondContact O-N 3.13Å; V37-S182 PolarHBondContact N-O 3.34Å; V37-S182 PolarHBondContact O-N 2.84Å; V37-S182 VanDerWaalsContact O-N 3.15Å
38V94.5Very high94.2Very high4 Ų452.1 Ų52.12%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-114.4130.8180-670000109.7G59 L61 F178 Q179V38-G59 PolarHBondContact N-O 3.44Å; V38-G59 PolarHBondContact O-N 3.15Å; V38-L61 HydrophobicContact CG1-CB 4.3Å; V38-L61 HydrophobicContact CG1-CD2 4.02Å; V38-F178 HydrophobicContact CG2-CD1 4.37Å; V38-Q179 CarbonylContact C-O 3.51Å; V38-Q179 WeakPolarHBondContact CA-O 3.46Å
39L94.6Very high93.9Very high25 Ų2552.1 Ų52.113%0.13127%0.274CS..EExtended strand (participates in β ladder)trans-91.3127.8176.7174.864.1000109.7R41 A44 L54 F57 L58 F178 Q179 H181L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.09Å; L39-A44 HydrophobicContact CD1-CB 4.29Å; L39-L54 HydrophobicContact CD1-CD1 3.6Å; L39-L54 HydrophobicContact CD1-CD2 4.43Å; L39-L54 HydrophobicContact CD1-CG 3.85Å; L39-L54 HydrophobicContact CD2-CD1 4.3Å; L39-F57 HydrophobicContact CD1-CB 3.79Å; L39-L58 HydrophobicContact CB-CD2 3.96Å; L39-L58 HydrophobicContact CD1-CD2 3.84Å; L39-L58 HydrophobicContact CG-CD2 4.49Å; L39-F178 CarbonylContact O-C 3.52Å; L39-F178 WeakPolarHBondContact O-CA 3.45Å; L39-Q179 PolarHBondContact N-O 3.24Å; L39-Q179 PolarHBondContact O-N 3.43Å; L39-H181 HydrophobicContact CB-CB 4.26Å
40C94.3Very high93.7Very high0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-74.385.8166.2-172.60000110G43 A44 F57 Q73 C74 F178C40-G43 PolarHBondContact O-N 3.37Å; C40-A44 PolarHBondContact O-N 2.88Å; C40-F57 HydrophobicContact CB-CB 4.36Å; C40-F57 PolarHBondContact N-O 3.26Å; C40-Q73 WeakPolarHBondContact CB-O 3.18Å; C40-C74 HydrophobicContact CB-CB 3.87Å; C40-C74 WeakPolarHBondContact CB-SG 3.49Å; C40-C74 WeakPolarHBondContact SG-CB 3.43Å; C40-C74 CovalentContact SG-SG 2.04Å; C40-C74 PolarHBondContact SG-SG 3.03Å; C40-F178 HydrophobicContact CB-CD1 4.05Å; C40-F178 HydrophobicContact CB-CE1 3.7Å; C40-F178 HydrophobicContact CB-CZ 4.5Å
41R93.3Very high93.4Very high115 Ų11554.1 Ų54.143%0.43429%0.292SS..Hα-helixtrans-60.2-52.4-171.8-178179.8177.6-162.6-7.3111.9L39 G43 A44 E45 V177 Q179L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.09Å; R41-G43 PolarHBondContact O-N 3.28Å; R41-A44 PolarHBondContact O-N 3.3Å; R41-E45 HydrophobicContact CG-CG 4.31Å; R41-E45 IonicContact CZ-OE1 2.96Å; R41-E45 VanDerWaalsContact CZ-OE1 3.28Å; R41-E45 IonicContact NE-OE1 3.96Å; R41-E45 PolarHBondContact NE-OE1 3.48Å; R41-E45 IonicContact NE-OE2 3.28Å; R41-E45 IonicContact NH2-OE1 2.73Å; R41-E45 PolarHBondContact NH2-OE1 3.49Å; R41-E45 WeakPolarHBondContact O-CB 3.49Å; R41-E45 WeakPolarHBondContact O-CG 3.47Å; R41-E45 PolarHBondContact O-N 3.21Å; R41-V177 PolarHBondContact N-O 3.32Å; R41-Q179 HydrophobicContact CB-CB 4.5Å
42T91.3Very high93.1Very high30 Ų3056.1 Ų56.118%0.18431%0.313CS..Hα-helixtrans-50.4-53.117440.20000112.2A44 E45 L46 F176 V177T42-A44 PolarHBondContact O-N 3.43Å; T42-E45 PolarHBondContact O-N 2.99Å; T42-L46 WeakPolarHBondContact O-CD1 3.31Å; T42-L46 PolarHBondContact O-N 2.93Å; T42-F176 VanDerWaalsContact OG1-CA 3.24Å; T42-F176 WeakPolarHBondContact OG1-CA 3.41Å; T42-F176 WeakPolarHBondContact OG1-CB 3.44Å; T42-F176 WeakPolarHBondContact OG1-CD1 3.35Å; T42-V177 HydrophobicContact CG2-CB 3.96Å; T42-V177 HydrophobicContact CG2-CG2 3.95Å; T42-V177 PolarHBondContact OG1-N 2.87Å
43G89.9Confident92.7Very high6 Ų656.6 Ų56.66%0.06232%0.318CS..Hα-helixtrans-58.9-44.8178.900000113.3C40 R41 L46 F57C40-G43 PolarHBondContact O-N 3.37Å; R41-G43 PolarHBondContact O-N 3.28Å; G43-L46 PolarHBondContact O-N 2.78Å; G43-F57 WeakPolarHBondContact O-CE1 3.48Å
44A92.4Very high92.4Very high8 Ų858.7 Ų58.77%0.06633%0.329CS..Hα-helixtrans-65.7-40.1178.700000112.4L39 C40 R41 T42 N48 A49 L54 F57L39-A44 HydrophobicContact CD1-CB 4.29Å; C40-A44 PolarHBondContact O-N 2.88Å; R41-A44 PolarHBondContact O-N 3.3Å; T42-A44 PolarHBondContact O-N 3.43Å; A44-N48 WeakPolarHBondContact O-CA 3.35Å; A44-N48 PolarHBondContact O-N 3.4Å; A44-A49 HydrophobicContact CB-CB 4.43Å; A44-A49 PolarHBondContact O-N 3.41Å; A44-L54 HydrophobicContact CB-CD1 3.76Å; A44-F57 HydrophobicContact CB-CB 4.17Å; A44-F57 HydrophobicContact CB-CD1 4.26Å; A44-F57 HydrophobicContact CB-CD2 4.26Å; A44-F57 HydrophobicContact CB-CG 3.96Å
45E92.5Very high92.1Very high111 Ų11163.5 Ų63.552%0.51936%0.355SS..Hα-helixtrans-68-35.9177.5-74177.2172.600111.9R41 T42 V47 N48R41-E45 HydrophobicContact CG-CG 4.31Å; R41-E45 IonicContact CZ-OE1 2.96Å; R41-E45 VanDerWaalsContact CZ-OE1 3.28Å; R41-E45 IonicContact NE-OE1 3.96Å; R41-E45 PolarHBondContact NE-OE1 3.48Å; R41-E45 IonicContact NE-OE2 3.28Å; R41-E45 IonicContact NH2-OE1 2.73Å; R41-E45 PolarHBondContact NH2-OE1 3.49Å; R41-E45 WeakPolarHBondContact O-CB 3.49Å; R41-E45 WeakPolarHBondContact O-CG 3.47Å; R41-E45 PolarHBondContact O-N 3.21Å; T42-E45 PolarHBondContact O-N 2.99Å; E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 2.98Å; E45-N48 PolarHBondContact O-N 3.2Å
46L91.4Very high91.8Very high141 Ų14162.9 Ų62.974%0.73836%0.357SS*.Hα-helixtrans-60-34.7178.6-99.982.8000113.2T42 G43T42-L46 WeakPolarHBondContact O-CD1 3.31Å; T42-L46 PolarHBondContact O-N 2.93Å; G43-L46 PolarHBondContact O-N 2.78Å
47V90.7Very high91.7Very high91 Ų9163.3 Ų63.355%0.55236%0.358SS*.Hα-helixtrans-105.11.3179.9-60.50000113.1E45 A49 F57E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 2.98Å; V47-A49 VanDerWaalsContact C-N 3.25Å; V47-A49 HydrophobicContact CG2-CB 3.77Å; V47-A49 PolarHBondContact O-N 2.87Å; V47-F57 HydrophobicContact CG2-CE1 4.27Å; V47-F57 HydrophobicContact CG2-CE2 3.88Å; V47-F57 HydrophobicContact CG2-CZ 3.43Å; V47-F57 VanDerWaalsContact CG2-CZ 3.43Å
48N92Very high91.6Very high129 Ų12963 Ų6369%0.6936%0.355SS*.THydrogen-bonded Turntrans50.844.9-172.6-165.828.6000112.7A44 E45 T50A44-N48 WeakPolarHBondContact O-CA 3.35Å; A44-N48 PolarHBondContact O-N 3.4Å; E45-N48 PolarHBondContact O-N 3.2Å; N48-T50 PolarHBondContact O-N 3.44Å
49A90.1Very high91.6Very high12 Ų1262.9 Ų62.910%0.09935%0.354CS..  trans-65.9131-177.700000110.7A44 V47 E53 F57A44-A49 HydrophobicContact CB-CB 4.43Å; A44-A49 PolarHBondContact O-N 3.41Å; V47-A49 VanDerWaalsContact C-N 3.25Å; V47-A49 HydrophobicContact CG2-CB 3.77Å; V47-A49 PolarHBondContact O-N 2.87Å; A49-E53 HydrophobicContact CB-CB 4.05Å; A49-F57 HydrophobicContact CB-CD2 3.95Å; A49-F57 HydrophobicContact CB-CE2 3.61Å; A49-F57 HydrophobicContact CB-CZ 4.47Å
50T91.1Very high91.6Very high96 Ų9667.9 Ų67.959%0.58938%0.377SS*.  trans-136.2157177.558.80000111.7N48 A52 E53N48-T50 PolarHBondContact O-N 3.44Å; T50-A52 PolarHBondContact O-N 3Å; T50-E53 PolarHBondContact O-N 2.92Å
51G89.3Confident91.7Very high65 Ų6568 Ų6867%0.6738%0.378SS*.G310 helixtrans58.9-128.5179.200000112.4E53 L54G51-E53 PolarHBondContact O-N 3.13Å; G51-L54 WeakPolarHBondContact O-CB 3.35Å; G51-L54 PolarHBondContact O-N 2.89Å
52A88.7Confident91.8Very high83 Ų8363.4 Ų63.469%0.68636%0.363SS*.G310 helixtrans-66.1-19.3-176.300000114.1T50 L54T50-A52 PolarHBondContact O-N 3Å; A52-L54 PolarHBondContact O-N 3.24Å
53E88.4Confident92.1Very high108 Ų10862 Ų6251%0.50536%0.355SS..G310 helixtrans-70.6-24.8176.7-63.7-178.1162.600112.1A49 T50 G51 D55 Q56 F57A49-E53 HydrophobicContact CB-CB 4.05Å; T50-E53 PolarHBondContact O-N 2.92Å; G51-E53 PolarHBondContact O-N 3.13Å; E53-D55 PolarHBondContact O-N 3.4Å; E53-Q56 WeakPolarHBondContact O-CB 3.36Å; E53-Q56 PolarHBondContact O-N 3.38Å; E53-Q56 VanDerWaalsContact O-N 3.11Å; E53-F57 WeakPolarHBondContact O-CD2 3.03Å
54L90.8Very high92.4Very high43 Ų4361.8 Ų61.823%0.22535%0.352CS..G310 helixtrans-63.9-28.3-179.4-161.568.7000112.1L39 A44 G51 A52 Q56 F57 L58L39-L54 HydrophobicContact CD1-CD1 3.6Å; L39-L54 HydrophobicContact CD1-CD2 4.43Å; L39-L54 HydrophobicContact CD1-CG 3.85Å; L39-L54 HydrophobicContact CD2-CD1 4.3Å; A44-L54 HydrophobicContact CB-CD1 3.76Å; G51-L54 WeakPolarHBondContact O-CB 3.35Å; G51-L54 PolarHBondContact O-N 2.89Å; A52-L54 PolarHBondContact O-N 3.24Å; L54-Q56 PolarHBondContact O-N 2.93Å; L54-Q56 VanDerWaalsContact O-N 3.14Å; L54-F57 WeakPolarHBondContact O-CA 3.5Å; L54-F57 WeakPolarHBondContact O-CB 3.5Å; L54-F57 PolarHBondContact O-N 3.48Å; L54-L58 PolarHBondContact O-N 3.26Å
55D90.5Very high92.6Very high103 Ų10361.4 Ų61.455%0.55135%0.349SS*.G310 helixtrans-60.1-25.3177.3-67.1-23.5000112.1E53 F57 L58 Q73E53-D55 PolarHBondContact O-N 3.4Å; D55-F57 PolarHBondContact O-N 3.11Å; D55-L58 PolarHBondContact O-N 2.96Å; D55-Q73 PolarHBondContact O-NE2 3.01Å
56Q90.7Very high92.7Very high110 Ų11059.3 Ų59.351%0.51434%0.338SS..G310 helixtrans-73.3-10.6174.7-56.9-175.613.100113.2E53 L54 Q73 G75E53-Q56 WeakPolarHBondContact O-CB 3.36Å; E53-Q56 PolarHBondContact O-N 3.38Å; E53-Q56 VanDerWaalsContact O-N 3.11Å; L54-Q56 PolarHBondContact O-N 2.93Å; L54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-Q73 VanDerWaalsContact O-CG 3.3Å; Q56-Q73 WeakPolarHBondContact O-CG 3.48Å; Q56-Q73 PolarHBondContact O-NE2 3.46Å; Q56-G75 PolarHBondContact O-N 3.41Å
57F93.7Very high92.8Very high13 Ų1357.5 Ų57.56%0.05733%0.326CS..G310 helixtrans-1134178.6-59.4-88.9000112.6L39 C40 G43 A44 V47 A49 E53 L54 D55 Q73 C74L39-F57 HydrophobicContact CD1-CB 3.79Å; C40-F57 HydrophobicContact CB-CB 4.36Å; C40-F57 PolarHBondContact N-O 3.26Å; G43-F57 WeakPolarHBondContact O-CE1 3.48Å; A44-F57 HydrophobicContact CB-CB 4.17Å; A44-F57 HydrophobicContact CB-CD1 4.26Å; A44-F57 HydrophobicContact CB-CD2 4.26Å; A44-F57 HydrophobicContact CB-CG 3.96Å; V47-F57 HydrophobicContact CG2-CE1 4.27Å; V47-F57 HydrophobicContact CG2-CE2 3.88Å; V47-F57 HydrophobicContact CG2-CZ 3.43Å; V47-F57 VanDerWaalsContact CG2-CZ 3.43Å; A49-F57 HydrophobicContact CB-CD2 3.95Å; A49-F57 HydrophobicContact CB-CE2 3.61Å; A49-F57 HydrophobicContact CB-CZ 4.47Å; E53-F57 WeakPolarHBondContact O-CD2 3.03Å; L54-F57 WeakPolarHBondContact O-CA 3.5Å; L54-F57 WeakPolarHBondContact O-CB 3.5Å; L54-F57 PolarHBondContact O-N 3.48Å; D55-F57 PolarHBondContact O-N 3.11Å; F57-Q73 CarbonylContact C-O 3.46Å; F57-Q73 WeakPolarHBondContact CA-O 3.2Å; F57-Q73 VanDerWaalsContact O-O 3.09Å; F57-C74 VanDerWaalsContact CD1-C 3.5Å; F57-C74 VanDerWaalsContact CE1-C 3.46Å
58L94.1Very high93.1Very high31 Ų3153.4 Ų53.416%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-91.3120.6176.1-65.8-179.4000110.1V37 L39 L54 D55 Q73 H181V37-L58 HydrophobicContact CG1-CB 3.77Å; V37-L58 HydrophobicContact CG1-CD1 4.28Å; V37-L58 HydrophobicContact CG1-CD2 3.88Å; V37-L58 HydrophobicContact CG1-CG 4.18Å; L39-L58 HydrophobicContact CB-CD2 3.96Å; L39-L58 HydrophobicContact CD1-CD2 3.84Å; L39-L58 HydrophobicContact CG-CD2 4.49Å; L54-L58 PolarHBondContact O-N 3.26Å; D55-L58 PolarHBondContact O-N 2.96Å; L58-Q73 WeakPolarHBondContact O-CB 3.44Å; L58-H181 HydrophobicContact CD2-CB 4.06Å
59G93.8Very high93.2Very high1 Ų151 Ų511%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-105.3148.1173.400000111.8V37 V38 V71V37-G59 CarbonylContact C-O 3.34Å; V37-G59 VanDerWaalsContact CA-O 3.3Å; V37-G59 WeakPolarHBondContact CA-O 3.43Å; V37-G59 WeakPolarHBondContact CG1-O 3.38Å; V38-G59 PolarHBondContact N-O 3.44Å; V38-G59 PolarHBondContact O-N 3.15Å; G59-V71 CarbonylContact C-O 3.53Å; G59-V71 WeakPolarHBondContact CA-O 3.48Å
60E95.1Very high93.3Very high130 Ų13051.8 Ų51.861%0.60729%0.287SS*.EExtended strand (participates in β ladder)trans-86.8147175.2-64.7-168.5172.700111.8R70 V71E60-R70 CarbonylContact O-C 3.56Å; E60-R70 WeakPolarHBondContact O-CA 3.25Å; E60-V71 HydrophobicContact CB-CB 4.47Å; E60-V71 HydrophobicContact CB-CG2 4.44Å; E60-V71 PolarHBondContact N-O 3.49Å; E60-V71 PolarHBondContact O-N 3.08Å
61L95.7Very high93.5Very high2 Ų248.7 Ų48.71%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-134.4128.5176.2177.664000109.1R35 G36 V38 Y63 R70 F83 I168R35-L61 CarbonylContact C-O 3.09Å; R35-L61 WeakPolarHBondContact CA-O 3.27Å; G36-L61 PolarHBondContact N-O 3.32Å; G36-L61 PolarHBondContact O-N 2.89Å; V38-L61 HydrophobicContact CG1-CB 4.3Å; V38-L61 HydrophobicContact CG1-CD2 4.02Å; L61-Y63 HydrophobicContact CD1-CD1 4.09Å; L61-Y63 HydrophobicContact CD2-CD1 4.15Å; L61-Y63 HydrophobicContact CD2-CE1 3.88Å; L61-Y63 HydrophobicContact CG-CD1 3.88Å; L61-Y63 HydrophobicContact CG-CE1 4.1Å; L61-R70 HydrophobicContact CD1-CB 3.64Å; L61-F83 HydrophobicContact CD1-CE1 4.13Å; L61-F83 HydrophobicContact CD1-CZ 4.34Å; L61-I168 HydrophobicContact CD1-CG2 3.82Å
62S96.8Very high93.5Very high19 Ų1947.2 Ų47.213%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-139.4131174.5-172.10000109.6P31 L34 G68 E69P31-S62 PolarHBondContact O-OG 3.23Å; L34-S62 WeakPolarHBondContact O-CA 3.22Å; S62-G68 CarbonylContact O-C 3.56Å; S62-G68 WeakPolarHBondContact O-CA 3.41Å; S62-E69 PolarHBondContact N-O 3.12Å; S62-E69 PolarHBondContact O-N 3.36Å
63Y96.4Very high93.7Very high0 Ų045.8 Ų45.80%022%0.223CC..EExtended strand (participates in β ladder)trans-152.3157.5178.661.4-97.2000114.3P31 W33 L34 L61 F83 F85 F155 L164 S165 I168P31-Y63 VanDerWaalsContact C-C 3.45Å; P31-Y63 CarbonylContact C-O 3.53Å; P31-Y63 CarbonylContact O-C 3.56Å; P31-Y63 WeakPolarHBondContact O-CA 3.11Å; P31-Y63 PolarHBondContact O-N 3.49Å; W33-Y63 WeakPolarHBondContact CB-O 3.25Å; W33-Y63 PolarHBondContact N-O 3.26Å; L34-Y63 HydrophobicContact CB-CD2 4.45Å; L34-Y63 HydrophobicContact CB-CE1 4.1Å; L34-Y63 HydrophobicContact CB-CE2 3.98Å; L34-Y63 HydrophobicContact CD2-CE1 3.62Å; L34-Y63 HydrophobicContact CD2-CE2 4.43Å; L34-Y63 VanDerWaalsContact CD2-CZ 3.48Å; L34-Y63 WeakPolarHBondContact CD2-OH 3.49Å; L34-Y63 HydrophobicContact CG-CE1 4.44Å; L34-Y63 PolarHBondContact N-O 2.8Å; L34-Y63 VanDerWaalsContact N-O 3.12Å; L34-Y63 PolarHBondContact O-N 2.89Å; L61-Y63 HydrophobicContact CD1-CD1 4.09Å; L61-Y63 HydrophobicContact CD2-CD1 4.15Å; L61-Y63 HydrophobicContact CD2-CE1 3.88Å; L61-Y63 HydrophobicContact CG-CD1 3.88Å; L61-Y63 HydrophobicContact CG-CE1 4.1Å; Y63-F83 HydrophobicContact CG-CZ 4.48Å; Y63-F85 HydrophobicContact CD2-CE2 4.36Å; Y63-F85 HydrophobicContact CD2-CZ 4.07Å; Y63-F155 HydrophobicContact CE2-CE2 4.29Å; Y63-F155 HydrophobicContact CE2-CZ 4.14Å; Y63-L164 HydrophobicContact CD2-CD2 4.47Å; Y63-L164 HydrophobicContact CE2-CD2 3.58Å; Y63-L164 HydrophobicContact CE2-CG 4.36Å; Y63-S165 PolarHBondContact OH-OG 2.95Å; Y63-I168 HydrophobicContact CD1-CD1 3.74Å; Y63-I168 HydrophobicContact CD2-CD1 4.24Å; Y63-I168 HydrophobicContact CE1-CD1 3.72Å; Y63-I168 HydrophobicContact CE2-CD1 4.23Å; Y63-I168 HydrophobicContact CG-CD1 3.99Å
64G96.3Very high93.8Very high1 Ų141.7 Ų41.71%0.0121%0.206CC..  trans-115-152.8168.100000111.2H67 F85G64-H67 PolarHBondContact N-O 3.2Å; G64-F85 VanDerWaalsContact O-CE2 3.3Å; G64-F85 WeakPolarHBondContact O-CE2 3.22Å
65L95.7Very high93.6Very high0 Ų041.3 Ų41.30%021%0.212CC..SBendtrans-86.9-8.2-176.6-60.5176.3000114.4T28 W33 H98 I101 V102 F155T28-L65 HydrophobicContact CG2-CD1 3.83Å; W33-L65 HydrophobicContact CD2-CD2 4.43Å; W33-L65 HydrophobicContact CD2-CG 4.23Å; W33-L65 HydrophobicContact CH2-CD1 4.07Å; W33-L65 HydrophobicContact CZ2-CD1 3.61Å; W33-L65 HydrophobicContact CZ2-CG 4.15Å; L65-H98 PolarHBondContact O-NE2 2.81Å; L65-I101 HydrophobicContact CD1-CG2 4.25Å; L65-I101 HydrophobicContact CD2-CG2 3.78Å; L65-V102 HydrophobicContact CB-CG2 4.09Å; L65-F155 HydrophobicContact CD2-CD2 3.96Å; L65-F155 HydrophobicContact CD2-CE2 4.13Å
66F95.3Very high93.3Very high67 Ų6742.8 Ų42.829%0.29422%0.22SC..SBendtrans-129.6-36.5-178.3-64.3-74.8000112.9T28 S84 F85 F86 V102T28-F66 HydrophobicContact CG2-CE2 4Å; T28-F66 WeakPolarHBondContact O-CD2 3.39Å; T28-F66 WeakPolarHBondContact O-CE2 3.49Å; F66-S84 CarbonylContact O-C 3.52Å; F66-S84 WeakPolarHBondContact O-CA 3.49Å; F66-F85 PolarHBondContact O-N 3.13Å; F66-F86 HydrophobicContact CD1-CD2 4.4Å; F66-V102 HydrophobicContact CE1-CG1 3.87Å; F66-V102 HydrophobicContact CE1-CG2 4.37Å; F66-V102 HydrophobicContact CZ-CG1 3.55Å; F66-V102 HydrophobicContact CZ-CG2 4.36Å
67H94.9Very high93.1Very high103 Ų10339.6 Ų39.648%0.47722%0.216SC..EExtended strand (participates in β ladder)trans-142.3158.1-174.3-57.389.3000110.1P31 G64 F83 S84P31-H67 WeakPolarHBondContact CB-O 3.48Å; G64-H67 PolarHBondContact N-O 3.2Å; H67-F83 WeakPolarHBondContact CA-O 3.09Å; H67-S84 PolarHBondContact CD2-OG 3.03Å; H67-S84 PolarHBondContact NE2-OG 3.43Å
68G95.4Very high92.9Very high6 Ų640.8 Ų40.86%0.06223%0.232CC..EExtended strand (participates in β ladder)trans-156.3174.9174.300000112.4S62 R82 F83S62-G68 CarbonylContact O-C 3.56Å; S62-G68 WeakPolarHBondContact O-CA 3.41Å; G68-R82 WeakPolarHBondContact O-CA 3.35Å; G68-F83 VanDerWaalsContact C-CE1 3.47Å; G68-F83 PolarHBondContact N-O 2.73Å; G68-F83 PolarHBondContact O-N 3.28Å
69E94.6Very high92.7Very high78 Ų7846.9 Ų46.936%0.36425%0.253SS..EExtended strand (participates in β ladder)trans-129138.3175.7-174.1163.2179.700108.8S62 S81 R82S62-E69 PolarHBondContact N-O 3.12Å; S62-E69 PolarHBondContact O-N 3.36Å; E69-S81 WeakPolarHBondContact CA-O 3.43Å; E69-R82 HydrophobicContact CB-CG 4.44Å; E69-R82 HydrophobicContact CG-CG 4.31Å; E69-R82 IonicContact OE2-NE 3.36Å
70R93.4Very high92.7Very high28 Ų2851.2 Ų51.211%0.10628%0.28CS..EExtended strand (participates in β ladder)trans-135.5137.5175.768.9-175178.8170.2-1109.1E60 L61 K72 S81 F83 I168 S169 F171E60-R70 CarbonylContact O-C 3.56Å; E60-R70 WeakPolarHBondContact O-CA 3.25Å; L61-R70 HydrophobicContact CD1-CB 3.64Å; R70-K72 VanDerWaalsContact CZ-CE 3.48Å; R70-S81 WeakPolarHBondContact CG-OG 3.38Å; R70-S81 PolarHBondContact N-O 2.99Å; R70-S81 PolarHBondContact NE-OG 3.5Å; R70-S81 PolarHBondContact O-N 3.01Å; R70-S81 VanDerWaalsContact O-O 3.11Å; R70-S81 PolarHBondContact O-OG 3.1Å; R70-F83 HydrophobicContact CB-CE1 4.23Å; R70-F83 HydrophobicContact CG-CD1 4.18Å; R70-F83 HydrophobicContact CG-CE1 4.38Å; R70-I168 PolarHBondContact NH1-O 3.34Å; R70-S169 PolarHBondContact NH1-O 2.76Å; R70-F171 PolarHBondContact NH1-O 3.07Å; R70-F171 PolarHBondContact NH2-O 2.9Å
71V93.8Very high92.5Very high32 Ų3246.8 Ų46.819%0.19426%0.264CS..EExtended strand (participates in β ladder)trans-107.7116.1173.2-177.50000107G59 E60 P80G59-V71 CarbonylContact C-O 3.53Å; G59-V71 WeakPolarHBondContact CA-O 3.48Å; E60-V71 HydrophobicContact CB-CB 4.47Å; E60-V71 HydrophobicContact CB-CG2 4.44Å; E60-V71 PolarHBondContact N-O 3.49Å; E60-V71 PolarHBondContact O-N 3.08Å; V71-P80 HydrophobicContact CG2-CB 4.25Å
72K90.3Very high92.5Very high34 Ų3456.7 Ų56.715%0.14830%0.301CS..EExtended strand (participates in β ladder)trans-88.8123.5174.9-68.7-178176.6-176.10108.9R70 R79 E173 F178R70-K72 VanDerWaalsContact CZ-CE 3.48Å; K72-R79 PolarHBondContact N-O 3.23Å; K72-R79 PolarHBondContact O-N 3.32Å; K72-E173 IonicContact NZ-OE2 2.64Å; K72-E173 PolarHBondContact NZ-OE2 2.61Å; K72-F178 HydrophobicContact CB-CE1 4.21Å; K72-F178 HydrophobicContact CB-CZ 3.84Å; K72-F178 HydrophobicContact CD-CE2 3.93Å; K72-F178 HydrophobicContact CD-CZ 3.87Å; K72-F178 HydrophobicContact CG-CE1 4.22Å; K72-F178 HydrophobicContact CG-CE2 4.21Å; K72-F178 HydrophobicContact CG-CZ 3.76Å
73Q91.6Very high92.3Very high52 Ų5256.3 Ų56.324%0.24330%0.297CS..EExtended strand (participates in β ladder)trans-131.3121.9178.7-153.1171.5-65.200110C40 D55 Q56 F57 L58C40-Q73 WeakPolarHBondContact CB-O 3.18Å; D55-Q73 PolarHBondContact O-NE2 3.01Å; Q56-Q73 VanDerWaalsContact O-CG 3.3Å; Q56-Q73 WeakPolarHBondContact O-CG 3.48Å; Q56-Q73 PolarHBondContact O-NE2 3.46Å; F57-Q73 CarbonylContact C-O 3.46Å; F57-Q73 WeakPolarHBondContact CA-O 3.2Å; F57-Q73 VanDerWaalsContact O-O 3.09Å; L58-Q73 WeakPolarHBondContact O-CB 3.44Å
74C90.4Very high92.1Very high23 Ų2357.6 Ų57.616%0.15531%0.306CS..SBendtrans-137.743.9-178.5-60.70000110.6C40 F57 L76C40-C74 HydrophobicContact CB-CB 3.87Å; C40-C74 WeakPolarHBondContact CB-SG 3.49Å; C40-C74 WeakPolarHBondContact SG-CB 3.43Å; C40-C74 CovalentContact SG-SG 2.04Å; C40-C74 PolarHBondContact SG-SG 3.03Å; F57-C74 VanDerWaalsContact CD1-C 3.5Å; F57-C74 VanDerWaalsContact CE1-C 3.46Å; C74-L76 PolarHBondContact O-N 2.88Å
75G86.8Confident91.9Very high35 Ų3557.5 Ų57.536%0.36131%0.305SS..SBendtrans78.2-7-177.700000116.1Q56Q56-G75 PolarHBondContact O-N 3.41Å
76L85.8Confident91.6Very high134 Ų13460.9 Ų60.970%0.70232%0.32SS*.SBendtrans-105.120.3179.3-60.5176000113.4C74C74-L76 PolarHBondContact O-N 2.88Å
77G86.6Confident91.2Very high42 Ų4262.2 Ų62.243%0.43334%0.335SS..  trans83.7161.1-171.900000113.8
78G89.1Confident90.7Very high38 Ų3860 Ų6039%0.39233%0.327SS..EExtended strand (participates in β ladder)trans-78.7128.3-176.900000112.4P80G78-P80 WeakPolarHBondContact O-CD 3.48Å
79R90.3Very high90.1Very high160 Ų16059.7 Ų59.760%0.60432%0.324SS*.EExtended strand (participates in β ladder)trans-109.299.2175.4-61.5-179.3-167.4169.73.8109.4K72K72-R79 PolarHBondContact N-O 3.23Å; K72-R79 PolarHBondContact O-N 3.32Å
80P92.5Very high89.6Confident91 Ų9159.8 Ų59.859%0.59133%0.327SS*.EExtended strand (participates in β ladder)trans-69.4137.8177.328.6-33.2000110.1V71 G78V71-P80 HydrophobicContact CG2-CB 4.25Å; G78-P80 WeakPolarHBondContact O-CD 3.48Å
81S92.2Very high88.9Confident37 Ų3762.3 Ų62.326%0.25936%0.362SS..EExtended strand (participates in β ladder)trans-143.7136.3175.162.80000109.6E69 R70E69-S81 WeakPolarHBondContact CA-O 3.43Å; R70-S81 WeakPolarHBondContact CG-OG 3.38Å; R70-S81 PolarHBondContact N-O 2.99Å; R70-S81 PolarHBondContact NE-OG 3.5Å; R70-S81 PolarHBondContact O-N 3.01Å; R70-S81 VanDerWaalsContact O-O 3.11Å; R70-S81 PolarHBondContact O-OG 3.1Å
82R93.8Very high88.2Confident210 Ų21062.1 Ų62.179%0.79237%0.366SS*.EExtended strand (participates in β ladder)trans-95.7148.4172.1-66.5-178.4178175.71.3109.3G68 E69G68-R82 WeakPolarHBondContact O-CA 3.35Å; E69-R82 HydrophobicContact CB-CG 4.44Å; E69-R82 HydrophobicContact CG-CG 4.31Å; E69-R82 IonicContact OE2-NE 3.36Å
83F92.5Very high88.1Confident11 Ų1161.2 Ų61.25%0.04836%0.363CS..EExtended strand (participates in β ladder)trans-140.9153.5177.265.9-87.2000110.4L61 Y63 H67 G68 R70 F85 L89 I168L61-F83 HydrophobicContact CD1-CE1 4.13Å; L61-F83 HydrophobicContact CD1-CZ 4.34Å; Y63-F83 HydrophobicContact CG-CZ 4.48Å; H67-F83 WeakPolarHBondContact CA-O 3.09Å; G68-F83 VanDerWaalsContact C-CE1 3.47Å; G68-F83 PolarHBondContact N-O 2.73Å; G68-F83 PolarHBondContact O-N 3.28Å; R70-F83 HydrophobicContact CB-CE1 4.23Å; R70-F83 HydrophobicContact CG-CD1 4.18Å; R70-F83 HydrophobicContact CG-CE1 4.38Å; F83-F85 HydrophobicContact CE2-CD2 4.14Å; F83-F85 AromaticContact CE2-CE2 3.71Å; F83-F85 HydrophobicContact CE2-CE2 3.71Å; F83-F85 HydrophobicContact CE2-CZ 4.36Å; F83-L89 HydrophobicContact CB-CD1 4.34Å; F83-L89 HydrophobicContact CD2-CD1 4.06Å; F83-L89 HydrophobicContact CD2-CD2 3.99Å; F83-L89 HydrophobicContact CE2-CD2 4.15Å; F83-I168 HydrophobicContact CD1-CG2 4.24Å; F83-I168 HydrophobicContact CD2-CG2 4.25Å; F83-I168 HydrophobicContact CE1-CG2 3.6Å; F83-I168 HydrophobicContact CE2-CD1 4.08Å; F83-I168 HydrophobicContact CE2-CG1 4.19Å; F83-I168 HydrophobicContact CE2-CG2 3.62Å; F83-I168 HydrophobicContact CZ-CB 4.44Å; F83-I168 HydrophobicContact CZ-CD1 4.07Å; F83-I168 HydrophobicContact CZ-CG1 4.38Å; F83-I168 HydrophobicContact CZ-CG2 3.25Å
84S93.3Very high87.9Confident27 Ų2760.3 Ų60.319%0.18936%0.361CS..EExtended strand (participates in β ladder)trans-113.4140.7175.1-50.80000109.2F66 H67 F86 D88F66-S84 CarbonylContact O-C 3.52Å; F66-S84 WeakPolarHBondContact O-CA 3.49Å; H67-S84 PolarHBondContact CD2-OG 3.03Å; H67-S84 PolarHBondContact NE2-OG 3.43Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 WeakPolarHBondContact CB-O 3.38Å; S84-F86 PolarHBondContact O-N 3.21Å; S84-D88 WeakPolarHBondContact O-CB 3.43Å
85F91.7Very high87.9Confident0 Ų061.1 Ų61.10%037%0.365CS..THydrogen-bonded Turntrans-65.7-38.4173.4-82.8-105.4000110.9Y63 G64 F66 F83 L89 I93 H98 L164 I168Y63-F85 HydrophobicContact CD2-CE2 4.36Å; Y63-F85 HydrophobicContact CD2-CZ 4.07Å; G64-F85 VanDerWaalsContact O-CE2 3.3Å; G64-F85 WeakPolarHBondContact O-CE2 3.22Å; F66-F85 PolarHBondContact O-N 3.13Å; F83-F85 HydrophobicContact CE2-CD2 4.14Å; F83-F85 AromaticContact CE2-CE2 3.71Å; F83-F85 HydrophobicContact CE2-CE2 3.71Å; F83-F85 HydrophobicContact CE2-CZ 4.36Å; F85-L89 PolarHBondContact O-N 3.29Å; F85-L89 VanDerWaalsContact O-N 3.15Å; F85-I93 HydrophobicContact CD1-CD1 3.46Å; F85-I93 VanDerWaalsContact CD1-CD1 3.46Å; F85-I93 HydrophobicContact CE1-CD1 4.04Å; F85-H98 AromaticContact CD1-CD2 3.67Å; F85-H98 AromaticContact CD1-CE1 3.46Å; F85-H98 VanDerWaalsContact CD1-CE1 3.46Å; F85-H98 WeakPolarHBondContact CD1-CE1 3.09Å; F85-H98 AromaticContact CD1-ND1 4Å; F85-H98 AromaticContact CD1-NE2 3.22Å; F85-H98 WeakPolarHBondContact CD1-NE2 3.25Å; F85-H98 AromaticContact CE1-CE1 3.35Å; F85-H98 WeakPolarHBondContact CE1-CE1 3.26Å; F85-H98 AromaticContact CE1-ND1 3.83Å; F85-H98 AromaticContact CE1-NE2 3.64Å; F85-H98 AromaticContact CG-NE2 3.62Å; F85-H98 AromaticContact CZ-CE1 3.95Å; F85-L164 HydrophobicContact CE1-CD1 4.02Å; F85-L164 HydrophobicContact CE1-CD2 4.15Å; F85-L164 HydrophobicContact CZ-CD2 4.15Å; F85-I168 HydrophobicContact CE1-CD1 4.39Å; F85-I168 HydrophobicContact CE2-CD1 4.42Å; F85-I168 HydrophobicContact CZ-CD1 3.71Å; F85-I168 HydrophobicContact CZ-CG1 4.47Å
86F90.8Very high88.1Confident70 Ų7062 Ų6231%0.30737%0.374SS..THydrogen-bonded Turntrans-119.5125.4176.9-55.1-83.9000109F66 S84 L90 V95 H98 V99F66-F86 HydrophobicContact CD1-CD2 4.4Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 WeakPolarHBondContact CB-O 3.38Å; S84-F86 PolarHBondContact O-N 3.21Å; F86-L90 HydrophobicContact CD1-CD2 3.56Å; F86-L90 HydrophobicContact CD1-CG 4.22Å; F86-L90 HydrophobicContact CE1-CD2 3.64Å; F86-V95 HydrophobicContact CE1-CG1 4.35Å; F86-H98 AromaticContact CE2-CD2 3.85Å; F86-H98 AromaticContact CZ-CD2 3.96Å; F86-V99 HydrophobicContact CE1-CG2 3.93Å; F86-V99 HydrophobicContact CZ-CG2 3.7Å
87P85.9Confident88.5Confident95 Ų9557.3 Ų57.362%0.61735%0.35SS*.THydrogen-bonded Turncis-87.9-7.9-0.135.7-35.2000114.4L89 L90P87-L89 PolarHBondContact O-N 3.42Å; P87-L90 HydrophobicContact CB-CD1 4.37Å
88D83.7Confident88.9Confident56 Ų5655.3 Ų55.330%0.29933%0.329SS..THydrogen-bonded Turntrans-66.1-42-159.4-65.6-54.5000114.1S84 F171 R172S84-D88 WeakPolarHBondContact O-CB 3.43Å; D88-F171 HydrophobicContact CB-CE1 4.27Å; D88-F171 VanDerWaalsContact O-CE1 3.29Å; D88-F171 WeakPolarHBondContact O-CE1 3.12Å; D88-F171 WeakPolarHBondContact O-CZ 3.48Å; D88-R172 IonicContact OD1-CZ 3.84Å; D88-R172 IonicContact OD1-NH2 2.84Å; D88-R172 PolarHBondContact OD1-NH2 2.82Å
89L84.1Confident89.2Confident1 Ų156.6 Ų56.61%0.00533%0.33CS..THydrogen-bonded Turntrans-95.85.5-169.8-91.467000114.3F83 F85 P87 G91 G92 I93 I168 F171F83-L89 HydrophobicContact CB-CD1 4.34Å; F83-L89 HydrophobicContact CD2-CD1 4.06Å; F83-L89 HydrophobicContact CD2-CD2 3.99Å; F83-L89 HydrophobicContact CE2-CD2 4.15Å; F85-L89 PolarHBondContact O-N 3.29Å; F85-L89 VanDerWaalsContact O-N 3.15Å; P87-L89 PolarHBondContact O-N 3.42Å; L89-G91 PolarHBondContact O-N 2.89Å; L89-G92 PolarHBondContact O-N 3.36Å; L89-I93 HydrophobicContact CB-CD1 4.25Å; L89-I93 HydrophobicContact CB-CG2 4.16Å; L89-I93 HydrophobicContact CD2-CG2 4.1Å; L89-I93 HydrophobicContact CG-CG2 4.5Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 3.14Å; L89-I168 HydrophobicContact CD2-CB 4.37Å; L89-I168 HydrophobicContact CD2-CG1 3.67Å; L89-F171 HydrophobicContact CD1-CD1 3.43Å; L89-F171 VanDerWaalsContact CD1-CD1 3.43Å; L89-F171 HydrophobicContact CD1-CE1 3.67Å; L89-F171 HydrophobicContact CD1-CG 3.96Å; L89-F171 HydrophobicContact CD1-CZ 4.42Å; L89-F171 HydrophobicContact CG-CB 4.49Å; L89-F171 HydrophobicContact CG-CD1 3.98Å; L89-F171 HydrophobicContact CG-CD2 4.29Å; L89-F171 HydrophobicContact CG-CE1 4.31Å; L89-F171 HydrophobicContact CG-CG 3.98Å
90L83.6Confident89.5Confident79 Ų7952.1 Ų52.141%0.41432%0.32SS..THydrogen-bonded Turntrans-53.4-32.2-176.7-76173.5000114.4F86 P87 V95F86-L90 HydrophobicContact CD1-CD2 3.56Å; F86-L90 HydrophobicContact CD1-CG 4.22Å; F86-L90 HydrophobicContact CE1-CD2 3.64Å; P87-L90 HydrophobicContact CB-CD1 4.37Å; L90-V95 HydrophobicContact CD2-CG1 3.82Å; L90-V95 HydrophobicContact CD2-CG2 3.89Å; L90-V95 WeakPolarHBondContact O-CG2 3.45Å
91G78.5Confident89.7Confident82 Ų8247.8 Ų47.885%0.84529%0.292SS*.THydrogen-bonded Turntrans-86.3-8.5179.400000115.3L89L89-G91 PolarHBondContact O-N 2.89Å
92G79.3Confident89.9Confident27 Ų2747 Ų4728%0.27829%0.286SS..THydrogen-bonded Turntrans-119.7-8.5-169.600000115.8L89L89-G92 PolarHBondContact O-N 3.36Å
93I87.1Confident90.1Very high16 Ų1643.4 Ų43.48%0.08228%0.276CS..SBendtrans-121.6159.9-177.169.1179.2000111.2F85 L89 V95 H98 L164F85-I93 HydrophobicContact CD1-CD1 3.46Å; F85-I93 VanDerWaalsContact CD1-CD1 3.46Å; F85-I93 HydrophobicContact CE1-CD1 4.04Å; L89-I93 HydrophobicContact CB-CD1 4.25Å; L89-I93 HydrophobicContact CB-CG2 4.16Å; L89-I93 HydrophobicContact CD2-CG2 4.1Å; L89-I93 HydrophobicContact CG-CG2 4.5Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 3.14Å; I93-V95 HydrophobicContact CG1-CG2 3.9Å; I93-V95 PolarHBondContact O-N 3.5Å; I93-H98 HydrophobicContact CD1-CB 4.41Å; I93-L164 HydrophobicContact CB-CD1 4.31Å; I93-L164 HydrophobicContact CG2-CD1 3.81Å
94P88.5Confident90.4Very high32 Ų3243.9 Ų43.921%0.20828%0.279CS..  trans-69.577.3169.332.3-38.7000111G96 L97 H98 E158 H162P94-G96 PolarHBondContact O-N 3.34Å; P94-G96 VanDerWaalsContact O-N 3.12Å; P94-L97 HydrophobicContact CB-CB 4.39Å; P94-L97 PolarHBondContact O-N 3.05Å; P94-H98 PolarHBondContact O-N 2.71Å; P94-E158 HydrophobicContact CG-CG 4.48Å; P94-H162 HydrophobicContact CG-CB 3.87Å
95V90.1Very high90.6Very high40 Ų4042.6 Ų42.624%0.24227%0.27CS..Hα-helixtrans-52.1-41.2-172.91790000112.4F86 L90 I93 L97 H98 V99F86-V95 HydrophobicContact CE1-CG1 4.35Å; L90-V95 HydrophobicContact CD2-CG1 3.82Å; L90-V95 HydrophobicContact CD2-CG2 3.89Å; L90-V95 WeakPolarHBondContact O-CG2 3.45Å; I93-V95 HydrophobicContact CG1-CG2 3.9Å; I93-V95 PolarHBondContact O-N 3.5Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 2.82Å; V95-H98 PolarHBondContact O-N 2.95Å; V95-V99 HydrophobicContact CG1-CG2 3.81Å; V95-V99 WeakPolarHBondContact O-CB 3.43Å; V95-V99 VanDerWaalsContact O-CG2 3.24Å; V95-V99 WeakPolarHBondContact O-CG2 3.33Å; V95-V99 PolarHBondContact O-N 3.17Å
96G91.5Very high90.9Very high54 Ų5445.3 Ų45.356%0.55729%0.289SS*.Hα-helixtrans-59.1-42.8-179.600000113.2P94 T100P94-G96 PolarHBondContact O-N 3.34Å; P94-G96 VanDerWaalsContact O-N 3.12Å; G96-T100 WeakPolarHBondContact O-CB 3.33Å; G96-T100 PolarHBondContact O-N 3.35Å; G96-T100 VanDerWaalsContact O-N 3.09Å; G96-T100 PolarHBondContact O-OG1 3.41Å
97L93.3Very high91.2Very high35 Ų3543 Ų4318%0.18328%0.28CS..Hα-helixtrans-69.3-45177.9-172.4149.9000110.5P94 V95 V99 T100 I101 E158P94-L97 HydrophobicContact CB-CB 4.39Å; P94-L97 PolarHBondContact O-N 3.05Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 2.82Å; L97-V99 PolarHBondContact O-N 3.07Å; L97-T100 WeakPolarHBondContact O-CB 3.16Å; L97-T100 PolarHBondContact O-N 2.99Å; L97-T100 VanDerWaalsContact O-N 3.16Å; L97-I101 HydrophobicContact CD2-CD1 3.6Å; L97-I101 HydrophobicContact CD2-CG1 4.37Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 3.15Å; L97-I101 VanDerWaalsContact O-N 3.07Å; L97-E158 HydrophobicContact CD2-CB 3.5Å; L97-E158 HydrophobicContact CD2-CG 3.64Å
98H95.1Very high91.8Very high0 Ų038.4 Ų38.40%025%0.251CS..Hα-helixtrans-60.5-46.8179-160.370.1000112.6L65 F85 F86 I93 P94 V95 T100 I101 V102 E158L65-H98 PolarHBondContact O-NE2 2.81Å; F85-H98 AromaticContact CD1-CD2 3.67Å; F85-H98 AromaticContact CD1-CE1 3.46Å; F85-H98 VanDerWaalsContact CD1-CE1 3.46Å; F85-H98 WeakPolarHBondContact CD1-CE1 3.09Å; F85-H98 AromaticContact CD1-ND1 4Å; F85-H98 AromaticContact CD1-NE2 3.22Å; F85-H98 WeakPolarHBondContact CD1-NE2 3.25Å; F85-H98 AromaticContact CE1-CE1 3.35Å; F85-H98 WeakPolarHBondContact CE1-CE1 3.26Å; F85-H98 AromaticContact CE1-ND1 3.83Å; F85-H98 AromaticContact CE1-NE2 3.64Å; F85-H98 AromaticContact CG-NE2 3.62Å; F85-H98 AromaticContact CZ-CE1 3.95Å; F86-H98 AromaticContact CE2-CD2 3.85Å; F86-H98 AromaticContact CZ-CD2 3.96Å; I93-H98 HydrophobicContact CD1-CB 4.41Å; P94-H98 PolarHBondContact O-N 2.71Å; V95-H98 PolarHBondContact O-N 2.95Å; H98-T100 VanDerWaalsContact C-N 3.27Å; H98-T100 PolarHBondContact O-N 3.24Å; H98-I101 WeakPolarHBondContact O-CB 3.43Å; H98-I101 PolarHBondContact O-N 3.06Å; H98-I101 VanDerWaalsContact O-N 3.16Å; H98-V102 PolarHBondContact O-N 3.19Å; H98-V102 VanDerWaalsContact O-N 3.13Å; H98-E158 VanDerWaalsContact CB-OE1 3.23Å; H98-E158 WeakPolarHBondContact CB-OE1 3.32Å; H98-E158 IonicContact CE1-OE2 3.74Å; H98-E158 IonicContact CG-OE1 2.97Å; H98-E158 VanDerWaalsContact ND1-CD 3.29Å; H98-E158 IonicContact ND1-OE1 3.82Å; H98-E158 PolarHBondContact ND1-OE1 3.49Å; H98-E158 IonicContact ND1-OE2 2.69Å; H98-E158 PolarHBondContact ND1-OE2 2.93Å
99V95.3Very high92.5Very high66 Ų6637.4 Ų37.440%0.425%0.246SC..Hα-helixtrans-62.3-37.1176.5171.30000111F86 V95 L97 I101 V102 F103F86-V99 HydrophobicContact CE1-CG2 3.93Å; F86-V99 HydrophobicContact CZ-CG2 3.7Å; V95-V99 HydrophobicContact CG1-CG2 3.81Å; V95-V99 WeakPolarHBondContact O-CB 3.43Å; V95-V99 VanDerWaalsContact O-CG2 3.24Å; V95-V99 WeakPolarHBondContact O-CG2 3.33Å; V95-V99 PolarHBondContact O-N 3.17Å; L97-V99 PolarHBondContact O-N 3.07Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 3.48Å; V99-V102 PolarHBondContact O-N 3.19Å; V99-F103 WeakPolarHBondContact O-CB 3.48Å; V99-F103 PolarHBondContact O-N 3.42Å
100T96.7Very high93.1Very high66 Ų6642.6 Ų42.641%0.40527%0.274SS..Hα-helixtrans-62.2-41.6175.6-59.50000111.4G96 L97 H98 F103 L104 L154G96-T100 WeakPolarHBondContact O-CB 3.33Å; G96-T100 PolarHBondContact O-N 3.35Å; G96-T100 VanDerWaalsContact O-N 3.09Å; G96-T100 PolarHBondContact O-OG1 3.41Å; L97-T100 WeakPolarHBondContact O-CB 3.16Å; L97-T100 PolarHBondContact O-N 2.99Å; L97-T100 VanDerWaalsContact O-N 3.16Å; H98-T100 VanDerWaalsContact C-N 3.27Å; H98-T100 PolarHBondContact O-N 3.24Å; T100-F103 PolarHBondContact O-N 3.27Å; T100-L104 HydrophobicContact CG2-CD1 4.06Å; T100-L104 HydrophobicContact CG2-CG 4.37Å; T100-L104 WeakPolarHBondContact O-CB 3.2Å; T100-L104 VanDerWaalsContact O-CG 3.26Å; T100-L104 WeakPolarHBondContact O-CG 3.39Å; T100-L104 PolarHBondContact O-N 3.24Å; T100-L154 HydrophobicContact CG2-CD1 4.13Å
101I97Very high93.7Very high0 Ų041.7 Ų41.70%027%0.266CS..Hα-helixtrans-60.8-49.6176-65.3163.4000110.5L65 L97 H98 V99 F103 L104 C105 V151 L154 F155 E158L65-I101 HydrophobicContact CD1-CG2 4.25Å; L65-I101 HydrophobicContact CD2-CG2 3.78Å; L97-I101 HydrophobicContact CD2-CD1 3.6Å; L97-I101 HydrophobicContact CD2-CG1 4.37Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 3.15Å; L97-I101 VanDerWaalsContact O-N 3.07Å; H98-I101 WeakPolarHBondContact O-CB 3.43Å; H98-I101 PolarHBondContact O-N 3.06Å; H98-I101 VanDerWaalsContact O-N 3.16Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 3.48Å; I101-F103 VanDerWaalsContact C-N 3.31Å; I101-F103 PolarHBondContact O-N 3.32Å; I101-L104 PolarHBondContact O-N 2.89Å; I101-C105 PolarHBondContact O-N 3.46Å; I101-C105 PolarHBondContact O-SG 3.22Å; I101-C105 VanDerWaalsContact O-SG 3.37Å; I101-V151 HydrophobicContact CG2-CG1 4.23Å; I101-L154 HydrophobicContact CD1-CB 4.1Å; I101-L154 HydrophobicContact CG1-CB 3.67Å; I101-F155 HydrophobicContact CD1-CB 4.24Å; I101-E158 HydrophobicContact CD1-CB 4.3Å; I101-E158 VanDerWaalsContact CD1-OE2 3.24Å; I101-E158 WeakPolarHBondContact CD1-OE2 3.43Å
102V96.9Very high94.6Very high21 Ų2137.8 Ų37.813%0.12723%0.226CC..Hα-helixtrans-60.5-41.8179.11750000111.7L65 F66 H98 V99 C105 S106L65-V102 HydrophobicContact CB-CG2 4.09Å; F66-V102 HydrophobicContact CE1-CG1 3.87Å; F66-V102 HydrophobicContact CE1-CG2 4.37Å; F66-V102 HydrophobicContact CZ-CG1 3.55Å; F66-V102 HydrophobicContact CZ-CG2 4.36Å; H98-V102 PolarHBondContact O-N 3.19Å; H98-V102 VanDerWaalsContact O-N 3.13Å; V99-V102 PolarHBondContact O-N 3.19Å; V102-C105 PolarHBondContact O-N 2.96Å; V102-S106 PolarHBondContact O-N 3.07Å; V102-S106 VanDerWaalsContact O-N 3.12Å; V102-S106 PolarHBondContact O-OG 2.92Å
103F97.5Very high95.4Very high133 Ų13339 Ų3958%0.58323%0.231SC*.Hα-helixtrans-61.3-47.6175.3172.8-103.1000111.5V99 T100 I101 C105 S106 V107V99-F103 WeakPolarHBondContact O-CB 3.48Å; V99-F103 PolarHBondContact O-N 3.42Å; T100-F103 PolarHBondContact O-N 3.27Å; I101-F103 VanDerWaalsContact C-N 3.31Å; I101-F103 PolarHBondContact O-N 3.32Å; F103-C105 VanDerWaalsContact C-N 3.34Å; F103-C105 PolarHBondContact O-N 3.46Å; F103-S106 WeakPolarHBondContact O-CA 3.27Å; F103-S106 VanDerWaalsContact O-CB 3.3Å; F103-S106 WeakPolarHBondContact O-CB 3.28Å; F103-S106 PolarHBondContact O-N 3.16Å; F103-S106 VanDerWaalsContact O-N 3.07Å; F103-V107 HydrophobicContact CD1-CG2 4.29Å; F103-V107 HydrophobicContact CE1-CG2 3.82Å; F103-V107 HydrophobicContact CE2-CG2 4.22Å; F103-V107 HydrophobicContact CZ-CG2 3.78Å; F103-V107 WeakPolarHBondContact O-CG2 3.37Å; F103-V107 PolarHBondContact O-N 2.83Å
104L98Very high95.8Very high21 Ų2141.1 Ų41.111%0.1124%0.244CC..Hα-helixtrans-64.2-37.1178.9-70.3173.6000112.4T100 I101 S106 V107 V108 T147 L150 V151 L154T100-L104 HydrophobicContact CG2-CD1 4.06Å; T100-L104 HydrophobicContact CG2-CG 4.37Å; T100-L104 WeakPolarHBondContact O-CB 3.2Å; T100-L104 VanDerWaalsContact O-CG 3.26Å; T100-L104 WeakPolarHBondContact O-CG 3.39Å; T100-L104 PolarHBondContact O-N 3.24Å; I101-L104 PolarHBondContact O-N 2.89Å; L104-S106 VanDerWaalsContact C-N 3.28Å; L104-S106 PolarHBondContact O-N 2.68Å; L104-V107 WeakPolarHBondContact O-CB 3.41Å; L104-V107 PolarHBondContact O-N 2.69Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 2.95Å; L104-T147 HydrophobicContact CD2-CG2 4.32Å; L104-L150 HydrophobicContact CD1-CB 4.02Å; L104-V151 HydrophobicContact CB-CG2 3.48Å; L104-V151 VanDerWaalsContact CB-CG2 3.48Å; L104-V151 HydrophobicContact CD1-CG2 4.49Å; L104-L154 HydrophobicContact CD1-CD1 3.61Å
105C97.9Very high96.1Very high0 Ų039.6 Ų39.60%023%0.234CC..Hα-helixtrans-57.9-42.6171-71.50000111.6T28 I101 V102 F103 V107 V108 V109T28-C105 HydrophobicContact CG2-CB 3.68Å; T28-C105 WeakPolarHBondContact OG1-CB 3.37Å; I101-C105 PolarHBondContact O-N 3.46Å; I101-C105 PolarHBondContact O-SG 3.22Å; I101-C105 VanDerWaalsContact O-SG 3.37Å; V102-C105 PolarHBondContact O-N 2.96Å; F103-C105 VanDerWaalsContact C-N 3.34Å; F103-C105 PolarHBondContact O-N 3.46Å; C105-V107 VanDerWaalsContact C-N 3.34Å; C105-V107 PolarHBondContact O-N 3.34Å; C105-V108 PolarHBondContact O-N 3.43Å; C105-V109 WeakPolarHBondContact O-CG2 3.41Å; C105-V109 PolarHBondContact O-N 3.29Å
106S97.7Very high96.3Very high57 Ų5738 Ų3840%0.39923%0.225SC..Hα-helixtrans-64.1-40176.6-530000111.7V102 F103 L104 V109 L110V102-S106 PolarHBondContact O-N 3.07Å; V102-S106 VanDerWaalsContact O-N 3.12Å; V102-S106 PolarHBondContact O-OG 2.92Å; F103-S106 WeakPolarHBondContact O-CA 3.27Å; F103-S106 VanDerWaalsContact O-CB 3.3Å; F103-S106 WeakPolarHBondContact O-CB 3.28Å; F103-S106 PolarHBondContact O-N 3.16Å; F103-S106 VanDerWaalsContact O-N 3.07Å; L104-S106 VanDerWaalsContact C-N 3.28Å; L104-S106 PolarHBondContact O-N 2.68Å; S106-V109 PolarHBondContact O-N 2.9Å; S106-L110 WeakPolarHBondContact O-CG 3.45Å; S106-L110 PolarHBondContact O-N 3.08Å
107V97.8Very high96.4Very high21 Ų2137.2 Ų37.213%0.12722%0.217CC..Hα-helixtrans-61.1-44.3173.3173.70000111.2F103 L104 C105 V109 L110 F111 T147F103-V107 HydrophobicContact CD1-CG2 4.29Å; F103-V107 HydrophobicContact CE1-CG2 3.82Å; F103-V107 HydrophobicContact CE2-CG2 4.22Å; F103-V107 HydrophobicContact CZ-CG2 3.78Å; F103-V107 WeakPolarHBondContact O-CG2 3.37Å; F103-V107 PolarHBondContact O-N 2.83Å; L104-V107 WeakPolarHBondContact O-CB 3.41Å; L104-V107 PolarHBondContact O-N 2.69Å; C105-V107 VanDerWaalsContact C-N 3.34Å; C105-V107 PolarHBondContact O-N 3.34Å; V107-V109 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 2.9Å; V107-L110 PolarHBondContact O-N 3.34Å; V107-F111 HydrophobicContact CG1-CD2 3.66Å; V107-F111 HydrophobicContact CG1-CE2 3.86Å; V107-F111 HydrophobicContact CG1-CG 4.34Å; V107-F111 WeakPolarHBondContact O-CB 3.42Å; V107-F111 WeakPolarHBondContact O-CD2 3.34Å; V107-F111 PolarHBondContact O-N 3.44Å; V107-T147 HydrophobicContact CG1-CG2 4.02Å
108V98.1Very high96.4Very high0 Ų037.4 Ų37.40%022%0.216CC..Hα-helixtrans-59-45.3176.5172.50000110.9A24 L104 C105 S112 T147 F192 I195A24-V108 HydrophobicContact CB-CG1 4.07Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 2.95Å; C105-V108 PolarHBondContact O-N 3.43Å; V108-S112 WeakPolarHBondContact O-CB 3.38Å; V108-S112 PolarHBondContact O-N 2.79Å; V108-S112 PolarHBondContact O-OG 3.42Å; V108-T147 WeakPolarHBondContact CG2-OG1 3.47Å; V108-F192 HydrophobicContact CB-CZ 4.47Å; V108-F192 HydrophobicContact CG1-CZ 4.43Å; V108-F192 HydrophobicContact CG2-CZ 4.2Å; V108-I195 HydrophobicContact CG1-CG2 4.33Å
109V98.1Very high96.3Very high34 Ų3437.4 Ų37.421%0.20622%0.216CC..Hα-helixtrans-59.8-49.7177.5174.40000111.2A24 A25 C105 S106 V107 S113A24-V109 HydrophobicContact CB-CG2 3.64Å; A25-V109 HydrophobicContact CB-CG1 4.31Å; A25-V109 HydrophobicContact CB-CG2 4.02Å; C105-V109 WeakPolarHBondContact O-CG2 3.41Å; C105-V109 PolarHBondContact O-N 3.29Å; S106-V109 PolarHBondContact O-N 2.9Å; V107-V109 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 2.9Å; V109-S113 WeakPolarHBondContact O-CB 3.41Å; V109-S113 PolarHBondContact O-N 2.9Å; V109-S113 PolarHBondContact O-OG 3.46Å
110L97.6Very high96.1Very high111 Ų11137.4 Ų37.458%0.58121%0.211SC*.Hα-helixtrans-63.8-51.9-178-70.8172.6000111.7S106 V107 S112 S113 V114S106-L110 WeakPolarHBondContact O-CG 3.45Å; S106-L110 PolarHBondContact O-N 3.08Å; V107-L110 PolarHBondContact O-N 3.34Å; L110-S112 PolarHBondContact O-N 3.06Å; L110-S113 WeakPolarHBondContact O-CB 3.37Å; L110-S113 PolarHBondContact O-N 2.99Å; L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 2.84Å
111F96Very high95.8Very high59 Ų5938.7 Ų38.726%0.25921%0.211SC..Hα-helixtrans-68.2-35.2-176.8-82.4-115000111.9V107 S113 V114 A115 W140 V143 C144V107-F111 HydrophobicContact CG1-CD2 3.66Å; V107-F111 HydrophobicContact CG1-CE2 3.86Å; V107-F111 HydrophobicContact CG1-CG 4.34Å; V107-F111 WeakPolarHBondContact O-CB 3.42Å; V107-F111 WeakPolarHBondContact O-CD2 3.34Å; V107-F111 PolarHBondContact O-N 3.44Å; F111-S113 VanDerWaalsContact C-N 3.34Å; F111-V114 PolarHBondContact O-N 3.22Å; F111-A115 VanDerWaalsContact O-CB 3.25Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 2.94Å; F111-W140 AromaticContact CD1-CE3 3.44Å; F111-W140 HydrophobicContact CD1-CE3 3.44Å; F111-W140 VanDerWaalsContact CD1-CE3 3.44Å; F111-W140 AromaticContact CD1-CZ3 3.66Å; F111-W140 HydrophobicContact CD1-CZ3 3.66Å; F111-W140 AromaticContact CE1-CE3 3.6Å; F111-W140 HydrophobicContact CE1-CE3 3.6Å; F111-W140 AromaticContact CE1-CZ3 3.38Å; F111-W140 HydrophobicContact CE1-CZ3 3.38Å; F111-W140 HydrophobicContact CG-CE3 4.37Å; F111-W140 HydrophobicContact CG-CZ3 4.5Å; F111-W140 HydrophobicContact CZ-CZ3 4.06Å; F111-V143 HydrophobicContact CD1-CB 4.03Å; F111-V143 HydrophobicContact CD1-CG1 3.51Å; F111-V143 HydrophobicContact CE1-CB 4.27Å; F111-V143 HydrophobicContact CE1-CG1 3.63Å; F111-V143 HydrophobicContact CG-CG1 4.21Å; F111-V143 HydrophobicContact CZ-CG1 4.39Å; F111-C144 VanDerWaalsContact C-SG 3.53Å; F111-C144 VanDerWaalsContact CB-SG 3.5Å
112S97.1Very high95.4Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-65.6-38.6174.4-61.20000111.9V108 L110 A115 S116 H199V108-S112 WeakPolarHBondContact O-CB 3.38Å; V108-S112 PolarHBondContact O-N 2.79Å; V108-S112 PolarHBondContact O-OG 3.42Å; L110-S112 PolarHBondContact O-N 3.06Å; S112-A115 PolarHBondContact O-N 3.33Å; S112-S116 WeakPolarHBondContact O-CB 3.49Å; S112-S116 PolarHBondContact O-N 3.41Å; S112-H199 PolarHBondContact OG-CE1 2.95Å; S112-H199 PolarHBondContact OG-NE2 3.29Å
113S96.9Very high95Very high54 Ų5438 Ų3838%0.37821%0.207SC..Hα-helixtrans-64.8-45.8175.8-57.50000111.3A21 V109 L110 F111 S116 G117A21-S113 WeakPolarHBondContact CB-OG 3.45Å; V109-S113 WeakPolarHBondContact O-CB 3.41Å; V109-S113 PolarHBondContact O-N 2.9Å; V109-S113 PolarHBondContact O-OG 3.46Å; L110-S113 WeakPolarHBondContact O-CB 3.37Å; L110-S113 PolarHBondContact O-N 2.99Å; F111-S113 VanDerWaalsContact C-N 3.34Å; S113-S116 WeakPolarHBondContact O-CB 3.24Å; S113-S116 PolarHBondContact O-N 2.87Å; S113-G117 PolarHBondContact O-N 3.26Å; S113-G117 VanDerWaalsContact O-N 3.07Å
114V95.2Very high94.5Very high59 Ų5938.2 Ų38.236%0.35821%0.208SC..Hα-helixtrans-63.1-45.4176.4171.60000111.1L110 F111 S116 G117 F118 W140L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 2.84Å; F111-V114 PolarHBondContact O-N 3.22Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.15Å; V114-G117 PolarHBondContact O-N 3.48Å; V114-G117 VanDerWaalsContact O-N 3.17Å; V114-F118 HydrophobicContact CG1-CD2 3.86Å; V114-F118 HydrophobicContact CG1-CE2 3.27Å; V114-F118 HydrophobicContact CG1-CZ 3.78Å; V114-F118 PolarHBondContact O-N 2.91Å; V114-W140 HydrophobicContact CG1-CD2 4.39Å; V114-W140 HydrophobicContact CG1-CE3 4.19Å; V114-W140 HydrophobicContact CG1-CH2 4.48Å; V114-W140 HydrophobicContact CG1-CZ3 4.23Å
115A93.9Very high93.6Very high1 Ų138.2 Ų38.21%0.00821%0.213CC..Hα-helixtrans-60.2-42176.800000111.8F111 S112 G117 F118 F119 W140F111-A115 VanDerWaalsContact O-CB 3.25Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 2.94Å; S112-A115 PolarHBondContact O-N 3.33Å; A115-G117 VanDerWaalsContact C-N 3.35Å; A115-G117 PolarHBondContact O-N 2.89Å; A115-F118 PolarHBondContact O-N 3.01Å; A115-F119 HydrophobicContact CB-CE2 4.34Å; A115-F119 WeakPolarHBondContact O-CD2 3.44Å; A115-F119 WeakPolarHBondContact O-CG 3.28Å; A115-F119 PolarHBondContact O-N 2.96Å; A115-W140 HydrophobicContact CB-CB 4.17Å
116S95.6Very high92.2Very high5 Ų545.9 Ų45.94%0.03524%0.242CC..Hα-helixtrans-58.3-45.9174-179.40000111.9G14 S112 S113 V114 F118 F119 F120G14-S116 WeakPolarHBondContact O-CB 3.44Å; G14-S116 PolarHBondContact O-OG 2.92Å; S112-S116 WeakPolarHBondContact O-CB 3.49Å; S112-S116 PolarHBondContact O-N 3.41Å; S113-S116 WeakPolarHBondContact O-CB 3.24Å; S113-S116 PolarHBondContact O-N 2.87Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.15Å; S116-F118 VanDerWaalsContact C-N 3.34Å; S116-F118 PolarHBondContact O-N 3.38Å; S116-F119 PolarHBondContact O-N 3.28Å; S116-F120 VanDerWaalsContact O-CD2 3.26Å; S116-F120 WeakPolarHBondContact O-CD2 3.35Å; S116-F120 PolarHBondContact O-N 2.73Å; S116-F120 VanDerWaalsContact OG-CE2 3.27Å; S116-F120 WeakPolarHBondContact OG-CE2 3.38Å
117G93.2Very high90.4Very high38 Ų3847 Ų4739%0.39225%0.248SC..Hα-helixtrans-56.5-46.1174.200000112.6S113 V114 A115 F120 F121S113-G117 PolarHBondContact O-N 3.26Å; S113-G117 VanDerWaalsContact O-N 3.07Å; V114-G117 PolarHBondContact O-N 3.48Å; V114-G117 VanDerWaalsContact O-N 3.17Å; A115-G117 VanDerWaalsContact C-N 3.35Å; A115-G117 PolarHBondContact O-N 2.89Å; G117-F120 PolarHBondContact O-N 3.05Å; G117-F121 VanDerWaalsContact O-CB 3.31Å; G117-F121 WeakPolarHBondContact O-CB 3.45Å; G117-F121 PolarHBondContact O-N 2.61Å
118F92.4Very high88.4Confident39 Ų3953.1 Ų53.117%0.17127%0.27CS..Hα-helixtrans-67.1-35.8177.1-64.9-35.8000113.4V114 A115 S116 F121 N122 Q132 L137 W140V114-F118 HydrophobicContact CG1-CD2 3.86Å; V114-F118 HydrophobicContact CG1-CE2 3.27Å; V114-F118 HydrophobicContact CG1-CZ 3.78Å; V114-F118 PolarHBondContact O-N 2.91Å; A115-F118 PolarHBondContact O-N 3.01Å; S116-F118 VanDerWaalsContact C-N 3.34Å; S116-F118 PolarHBondContact O-N 3.38Å; F118-F121 PolarHBondContact O-N 3.42Å; F118-N122 WeakPolarHBondContact O-CB 3.38Å; F118-N122 PolarHBondContact O-N 3.06Å; F118-N122 PolarHBondContact O-ND2 3.05Å; F118-Q132 HydrophobicContact CD1-CG 4.11Å; F118-Q132 HydrophobicContact CE1-CG 3.91Å; F118-L137 HydrophobicContact CB-CD2 3.66Å; F118-W140 AromaticContact CD2-CD1 3.56Å; F118-W140 HydrophobicContact CD2-CD2 4.46Å; F118-W140 HydrophobicContact CD2-CG 4.17Å; F118-W140 AromaticContact CD2-NE1 3.62Å; F118-W140 AromaticContact CE2-CD1 3.7Å; F118-W140 HydrophobicContact CE2-CD2 4.07Å; F118-W140 AromaticContact CE2-CE2 3.51Å; F118-W140 HydrophobicContact CE2-CG 4.25Å; F118-W140 AromaticContact CE2-CZ2 3.91Å; F118-W140 HydrophobicContact CE2-CZ2 3.91Å; F118-W140 AromaticContact CE2-NE1 3.26Å; F118-W140 VanDerWaalsContact CE2-NE1 3.26Å
119F92.6Very high86.5Confident0 Ų060.2 Ų60.20%030%0.303CS..Hα-helixtrans-63-47.4173.6-77.6-56000111.8F10 A13 S17 A115 S116 F121 N122 A123 L137 N202 I206F10-F119 AromaticContact CD1-CD1 3.98Å; F10-F119 HydrophobicContact CD1-CD1 3.98Å; A13-F119 HydrophobicContact CB-CD1 3.6Å; A13-F119 HydrophobicContact CB-CD2 4.07Å; A13-F119 HydrophobicContact CB-CE1 3.57Å; A13-F119 HydrophobicContact CB-CE2 4.08Å; A13-F119 HydrophobicContact CB-CG 3.86Å; A13-F119 HydrophobicContact CB-CZ 3.83Å; S17-F119 WeakPolarHBondContact OG-CE2 3.24Å; A115-F119 HydrophobicContact CB-CE2 4.34Å; A115-F119 WeakPolarHBondContact O-CD2 3.44Å; A115-F119 WeakPolarHBondContact O-CG 3.28Å; A115-F119 PolarHBondContact O-N 2.96Å; S116-F119 PolarHBondContact O-N 3.28Å; F119-F121 VanDerWaalsContact C-N 3.35Å; F119-F121 PolarHBondContact O-N 3.49Å; F119-N122 PolarHBondContact O-N 3.33Å; F119-A123 PolarHBondContact O-N 3.46Å; F119-L137 HydrophobicContact CD1-CD1 4.09Å; F119-L137 HydrophobicContact CD1-CD2 3.86Å; F119-L137 HydrophobicContact CE1-CB 4.33Å; F119-L137 HydrophobicContact CE1-CD1 4.02Å; F119-L137 HydrophobicContact CE1-CD2 3.92Å; F119-L137 HydrophobicContact CE1-CG 4.32Å; F119-L137 HydrophobicContact CG-CD2 4.3Å; F119-L137 HydrophobicContact CZ-CD2 4.38Å; F119-N202 HydrophobicContact CZ-CB 4.34Å; F119-I206 HydrophobicContact CE1-CD1 4.08Å; F119-I206 HydrophobicContact CE1-CG1 3.69Å; F119-I206 HydrophobicContact CZ-CD1 3.87Å; F119-I206 HydrophobicContact CZ-CG1 3.94Å
120F92.3Very high84.8Confident66 Ų6664.1 Ų64.129%0.28933%0.327SS..Hα-helixtrans-65.8-38.2176.4-69.3-51.3000112.4S116 G117 N122 A123 F124S116-F120 VanDerWaalsContact O-CD2 3.26Å; S116-F120 WeakPolarHBondContact O-CD2 3.35Å; S116-F120 PolarHBondContact O-N 2.73Å; S116-F120 VanDerWaalsContact OG-CE2 3.27Å; S116-F120 WeakPolarHBondContact OG-CE2 3.38Å; G117-F120 PolarHBondContact O-N 3.05Å; F120-N122 VanDerWaalsContact C-N 3.3Å; F120-N122 PolarHBondContact O-N 3.44Å; F120-A123 WeakPolarHBondContact O-CB 3.38Å; F120-A123 PolarHBondContact O-N 3.02Å; F120-A123 VanDerWaalsContact O-N 3.11Å; F120-F124 HydrophobicContact CD1-CE2 4.23Å; F120-F124 VanDerWaalsContact O-CD2 3.25Å; F120-F124 WeakPolarHBondContact O-CD2 3.49Å; F120-F124 PolarHBondContact O-N 3.32Å; F120-F124 VanDerWaalsContact O-N 3.1Å
121F89.6Confident83.2Confident93 Ų9363.8 Ų63.841%0.40833%0.325SS..Hα-helixtrans-60.2-40.5173.8-173.4-98.9000111.9G117 F118 F119 A123 G125 Q132G117-F121 VanDerWaalsContact O-CB 3.31Å; G117-F121 WeakPolarHBondContact O-CB 3.45Å; G117-F121 PolarHBondContact O-N 2.61Å; F118-F121 PolarHBondContact O-N 3.42Å; F119-F121 VanDerWaalsContact C-N 3.35Å; F119-F121 PolarHBondContact O-N 3.49Å; F121-A123 VanDerWaalsContact C-N 3.34Å; F121-G125 WeakPolarHBondContact O-CA 3.45Å; F121-G125 PolarHBondContact O-N 2.81Å; F121-Q132 VanDerWaalsContact CE1-OE1 3.29Å
122N88.3Confident82.2Confident7 Ų764 Ų644%0.03733%0.327CS..Hα-helixtrans-72.4-25175-82.8-89.3000113.5F10 F118 F119 F120 Q132F10-N122 HydrophobicContact CD1-CB 4.22Å; F10-N122 HydrophobicContact CD2-CB 3.95Å; F10-N122 HydrophobicContact CE1-CB 4.27Å; F10-N122 HydrophobicContact CE2-CB 4.03Å; F10-N122 HydrophobicContact CG-CB 4.06Å; F10-N122 HydrophobicContact CZ-CB 4.19Å; F118-N122 WeakPolarHBondContact O-CB 3.38Å; F118-N122 PolarHBondContact O-N 3.06Å; F118-N122 PolarHBondContact O-ND2 3.05Å; F119-N122 PolarHBondContact O-N 3.33Å; F120-N122 VanDerWaalsContact C-N 3.3Å; F120-N122 PolarHBondContact O-N 3.44Å; N122-Q132 PolarHBondContact ND2-O 2.92Å; N122-Q132 PolarHBondContact OD1-O 2.73Å
123A88.5Confident81.3Confident0 Ų064.2 Ų64.20%033%0.329CS..Hα-helixtrans-72.9-4117700000112.6P2 F10 F119 F120 F121P2-A123 WeakPolarHBondContact CG-O 3.48Å; F10-A123 HydrophobicContact CB-CB 3.74Å; F119-A123 PolarHBondContact O-N 3.46Å; F120-A123 WeakPolarHBondContact O-CB 3.38Å; F120-A123 PolarHBondContact O-N 3.02Å; F120-A123 VanDerWaalsContact O-N 3.11Å; F121-A123 VanDerWaalsContact C-N 3.34Å
124F87.2Confident80.6Confident137 Ų13765.1 Ų65.160%0.60133%0.334SS*.Hα-helixtrans-109.4-23.1-173.4-57.5-67.9000114.3F120F120-F124 HydrophobicContact CD1-CE2 4.23Å; F120-F124 VanDerWaalsContact O-CD2 3.25Å; F120-F124 WeakPolarHBondContact O-CD2 3.49Å; F120-F124 PolarHBondContact O-N 3.32Å; F120-F124 VanDerWaalsContact O-N 3.1Å
125G79.8Confident80.1Confident21 Ų2169.2 Ų69.222%0.21635%0.351CS..SBendtrans-93.2-170.6-178.900000113.7F121F121-G125 WeakPolarHBondContact O-CA 3.45Å; F121-G125 PolarHBondContact O-N 2.81Å
126R68.1Low79.8Confident161 Ų16169.3 Ų69.361%0.60835%0.352SS*.  trans-108132.4167.2-66-173.8-173.8-166.32.4107.5Y128R126-Y128 HydrophobicContact CB-CD2 3.89Å; R126-Y128 HydrophobicContact CB-CE2 3.4Å; R126-Y128 HydrophobicContact CG-CE2 4.3Å; R126-Y128 WeakPolarHBondContact O-CD2 3.47Å; R126-Y128 PolarHBondContact O-N 2.92Å
127P60.7Low79.6Confident82 Ų8269.1 Ų69.153%0.53235%0.351SS..  trans-67.1107.3178.426.7-31.8000108.7
128Y54.4Low79.5Confident149 Ų14969.5 Ų69.558%0.58434%0.34SS*.  trans-117.8140.8165-65.4-73.2000106.6R126R126-Y128 HydrophobicContact CB-CD2 3.89Å; R126-Y128 HydrophobicContact CB-CE2 3.4Å; R126-Y128 HydrophobicContact CG-CE2 4.3Å; R126-Y128 WeakPolarHBondContact O-CD2 3.47Å; R126-Y128 PolarHBondContact O-N 2.92Å
129E58.6Low79.5Confident149 Ų14971.9 Ų71.970%0.69635%0.354SS*.SBendtrans82.7144.8-175.1-58-69.4144.500117.9Q132 G133E129-Q132 PolarHBondContact O-N 3.25Å; E129-G133 PolarHBondContact O-N 2.87Å
130T63.8Low79.6Confident115 Ų11574.3 Ų74.371%0.70636%0.364SS*.THydrogen-bonded Turntrans-67.2-35.7-178.545.10000113.3G136T130-G136 PolarHBondContact O-N 3.26Å
131L63.9Low79.7Confident105 Ų10571.1 Ų71.155%0.5535%0.35SS..THydrogen-bonded Turntrans-75.9-22.5179-79.3166.8000114.1G136 W140L131-G136 WeakPolarHBondContact O-CA 3.36Å; L131-W140 PolarHBondContact O-NE1 3.44Å
132Q73.6Confident80Confident62 Ų6269.6 Ų69.629%0.2935%0.35SS..THydrogen-bonded Turntrans-101.8-12.1177.9-62.2-179.9600112F118 F121 N122 E129F118-Q132 HydrophobicContact CD1-CG 4.11Å; F118-Q132 HydrophobicContact CE1-CG 3.91Å; F121-Q132 VanDerWaalsContact CE1-OE1 3.29Å; N122-Q132 PolarHBondContact ND2-O 2.92Å; N122-Q132 PolarHBondContact OD1-O 2.73Å; E129-Q132 PolarHBondContact O-N 3.25Å
133G79.6Confident80.3Confident5 Ų571.5 Ų71.55%0.05236%0.361CS..SBendtrans-76.2-172.8174.100000114.1E129 M135 G136 L137E129-G133 PolarHBondContact O-N 2.87Å; G133-M135 VanDerWaalsContact C-N 3.29Å; G133-M135 PolarHBondContact O-N 2.96Å; G133-G136 PolarHBondContact O-N 3.3Å; G133-G136 VanDerWaalsContact O-N 3.08Å; G133-L137 PolarHBondContact O-N 3.44Å; G133-L137 VanDerWaalsContact O-N 3.07Å
134P80.4Confident80.7Confident73 Ų7371.5 Ų71.547%0.47436%0.361SS..Hα-helixtrans-57.1-37.8-175.6-26.334.5000114.2L137 Y138P134-L137 PolarHBondContact O-N 2.99Å; P134-Y138 WeakPolarHBondContact O-CD2 3.3Å; P134-Y138 PolarHBondContact O-N 3.45Å; P134-Y138 VanDerWaalsContact O-N 3.12Å
135M85.4Confident81.2Confident146 Ų14666.4 Ų66.472%0.71934%0.343SS*.Hα-helixtrans-65.1-41.5177.8-67.3-59.4-71.700111.8G133 Y138 L139G133-M135 VanDerWaalsContact C-N 3.29Å; G133-M135 PolarHBondContact O-N 2.96Å; M135-Y138 PolarHBondContact O-N 3.49Å; M135-L139 PolarHBondContact O-N 3.42Å
136G87.8Confident82Confident3 Ų368 Ų683%0.03135%0.354CS..Hα-helixtrans-59.8-47.7172.600000112.1T130 L131 G133 Y138 L139 W140T130-G136 PolarHBondContact O-N 3.26Å; L131-G136 WeakPolarHBondContact O-CA 3.36Å; G133-G136 PolarHBondContact O-N 3.3Å; G133-G136 VanDerWaalsContact O-N 3.08Å; G136-Y138 VanDerWaalsContact C-N 3.28Å; G136-Y138 PolarHBondContact O-N 2.67Å; G136-L139 WeakPolarHBondContact O-CA 3.47Å; G136-L139 WeakPolarHBondContact O-CB 3.49Å; G136-L139 PolarHBondContact O-N 3.44Å; G136-W140 PolarHBondContact O-N 2.91Å
137L91.4Very high83.4Confident1 Ų161 Ų611%0.00533%0.329CS..Hα-helixtrans-57.3-39.6178.1-66176.3000112.7F10 F118 F119 G133 P134 T141 I206F10-L137 HydrophobicContact CD1-CD1 4.26Å; F10-L137 HydrophobicContact CE1-CD1 3.59Å; F10-L137 HydrophobicContact CZ-CD1 4.34Å; F118-L137 HydrophobicContact CB-CD2 3.66Å; F119-L137 HydrophobicContact CD1-CD1 4.09Å; F119-L137 HydrophobicContact CD1-CD2 3.86Å; F119-L137 HydrophobicContact CE1-CB 4.33Å; F119-L137 HydrophobicContact CE1-CD1 4.02Å; F119-L137 HydrophobicContact CE1-CD2 3.92Å; F119-L137 HydrophobicContact CE1-CG 4.32Å; F119-L137 HydrophobicContact CG-CD2 4.3Å; F119-L137 HydrophobicContact CZ-CD2 4.38Å; G133-L137 PolarHBondContact O-N 3.44Å; G133-L137 VanDerWaalsContact O-N 3.07Å; P134-L137 PolarHBondContact O-N 2.99Å; L137-T141 VanDerWaalsContact O-CB 3.25Å; L137-T141 WeakPolarHBondContact O-CB 3.45Å; L137-T141 PolarHBondContact O-N 3.29Å; L137-T141 VanDerWaalsContact O-N 3.1Å; L137-T141 PolarHBondContact O-OG1 3.23Å; L137-I206 HydrophobicContact CB-CD1 3.81Å; L137-I206 HydrophobicContact CB-CG1 4.16Å; L137-I206 HydrophobicContact CB-CG2 4.43Å; L137-I206 WeakPolarHBondContact O-CD1 3.05Å
138Y92Very high85.2Confident45 Ų4557.1 Ų57.118%0.17630%0.304CS..Hα-helixtrans-62.9-47.2171.3-76.6-67.1000111.9P134 M135 G136 T141 C142 L203 I206 R207P134-Y138 WeakPolarHBondContact O-CD2 3.3Å; P134-Y138 PolarHBondContact O-N 3.45Å; P134-Y138 VanDerWaalsContact O-N 3.12Å; M135-Y138 PolarHBondContact O-N 3.49Å; G136-Y138 VanDerWaalsContact C-N 3.28Å; G136-Y138 PolarHBondContact O-N 2.67Å; Y138-T141 PolarHBondContact O-N 3.05Å; Y138-C142 WeakPolarHBondContact O-CB 3.3Å; Y138-C142 PolarHBondContact O-N 3.34Å; Y138-C142 PolarHBondContact O-SG 3.28Å; Y138-L203 HydrophobicContact CD1-CD2 3.88Å; Y138-I206 HydrophobicContact CD1-CB 4.46Å; Y138-I206 HydrophobicContact CD1-CD1 4.25Å; Y138-I206 HydrophobicContact CD1-CG2 4.27Å; Y138-I206 HydrophobicContact CD2-CG2 3.94Å; Y138-I206 HydrophobicContact CE1-CB 3.88Å; Y138-I206 HydrophobicContact CE1-CD1 4.47Å; Y138-I206 HydrophobicContact CE1-CG2 3.8Å; Y138-I206 HydrophobicContact CE2-CB 4.39Å; Y138-I206 HydrophobicContact CE2-CG2 3.4Å; Y138-I206 VanDerWaalsContact CE2-CG2 3.4Å; Y138-I206 HydrophobicContact CG-CG2 4.32Å; Y138-I206 WeakPolarHBondContact OH-CG2 3.42Å; Y138-R207 HydrophobicContact CE1-CG 4.14Å; Y138-R207 WeakPolarHBondContact OH-CA 3.29Å; Y138-R207 WeakPolarHBondContact OH-CD 2.8Å; Y138-R207 WeakPolarHBondContact OH-CG 3.46Å; Y138-R207 PolarHBondContact OH-N 3.17Å; Y138-R207 VanDerWaalsContact OH-N 3.09Å; Y138-R207 PolarHBondContact OH-NE 3.27Å
139L92.6Very high87.3Confident89 Ų8952.4 Ų52.447%0.46629%0.292SS..Hα-helixtrans-58.1-53.3-179.3-176.4149.6000111.4M135 G136 T141 C142 V143M135-L139 PolarHBondContact O-N 3.42Å; G136-L139 WeakPolarHBondContact O-CA 3.47Å; G136-L139 WeakPolarHBondContact O-CB 3.49Å; G136-L139 PolarHBondContact O-N 3.44Å; L139-T141 PolarHBondContact O-N 2.95Å; L139-C142 PolarHBondContact O-N 3.14Å; L139-V143 HydrophobicContact CD2-CG2 4.44Å; L139-V143 VanDerWaalsContact O-CG2 3.32Å; L139-V143 WeakPolarHBondContact O-CG2 3.42Å; L139-V143 PolarHBondContact O-N 3.3Å
140W93.1Very high89.1Confident51 Ų5149.3 Ų49.319%0.19328%0.28CS..Hα-helixtrans-61.1-43.4-179.4-63.2111000111.9F111 V114 A115 F118 L131 G136 V143 C144F111-W140 AromaticContact CD1-CE3 3.44Å; F111-W140 HydrophobicContact CD1-CE3 3.44Å; F111-W140 VanDerWaalsContact CD1-CE3 3.44Å; F111-W140 AromaticContact CD1-CZ3 3.66Å; F111-W140 HydrophobicContact CD1-CZ3 3.66Å; F111-W140 AromaticContact CE1-CE3 3.6Å; F111-W140 HydrophobicContact CE1-CE3 3.6Å; F111-W140 AromaticContact CE1-CZ3 3.38Å; F111-W140 HydrophobicContact CE1-CZ3 3.38Å; F111-W140 HydrophobicContact CG-CE3 4.37Å; F111-W140 HydrophobicContact CG-CZ3 4.5Å; F111-W140 HydrophobicContact CZ-CZ3 4.06Å; V114-W140 HydrophobicContact CG1-CD2 4.39Å; V114-W140 HydrophobicContact CG1-CE3 4.19Å; V114-W140 HydrophobicContact CG1-CH2 4.48Å; V114-W140 HydrophobicContact CG1-CZ3 4.23Å; A115-W140 HydrophobicContact CB-CB 4.17Å; F118-W140 AromaticContact CD2-CD1 3.56Å; F118-W140 HydrophobicContact CD2-CD2 4.46Å; F118-W140 HydrophobicContact CD2-CG 4.17Å; F118-W140 AromaticContact CD2-NE1 3.62Å; F118-W140 AromaticContact CE2-CD1 3.7Å; F118-W140 HydrophobicContact CE2-CD2 4.07Å; F118-W140 AromaticContact CE2-CE2 3.51Å; F118-W140 HydrophobicContact CE2-CG 4.25Å; F118-W140 AromaticContact CE2-CZ2 3.91Å; F118-W140 HydrophobicContact CE2-CZ2 3.91Å; F118-W140 AromaticContact CE2-NE1 3.26Å; F118-W140 VanDerWaalsContact CE2-NE1 3.26Å; L131-W140 PolarHBondContact O-NE1 3.44Å; G136-W140 PolarHBondContact O-N 2.91Å; W140-V143 PolarHBondContact O-N 3.27Å; W140-C144 PolarHBondContact O-N 3.11Å; W140-C144 PolarHBondContact O-SG 3.39Å
141T95.1Very high90.8Very high0 Ų043.9 Ų43.90%025%0.246CC..Hα-helixtrans-70.2-38179.9-51.90000112L137 Y138 L139 C144 C145 H199 N202 L203L137-T141 VanDerWaalsContact O-CB 3.25Å; L137-T141 WeakPolarHBondContact O-CB 3.45Å; L137-T141 PolarHBondContact O-N 3.29Å; L137-T141 VanDerWaalsContact O-N 3.1Å; L137-T141 PolarHBondContact O-OG1 3.23Å; Y138-T141 PolarHBondContact O-N 3.05Å; L139-T141 PolarHBondContact O-N 2.95Å; T141-C144 PolarHBondContact O-N 3.14Å; T141-C145 WeakPolarHBondContact O-CB 3.34Å; T141-C145 PolarHBondContact O-N 3.31Å; T141-H199 HydrophobicContact CG2-CB 4.46Å; T141-H199 WeakPolarHBondContact CG2-O 3.43Å; T141-N202 HydrophobicContact CG2-CB 3.77Å; T141-L203 HydrophobicContact CG2-CD2 3.63Å; T141-L203 HydrophobicContact CG2-CG 3.76Å
142C95Very high92.4Very high60 Ų6039.6 Ų39.641%0.40522%0.224SC..Hα-helixtrans-64.9-40.9174.8-77.90000111.6Y138 L139 C145 A146Y138-C142 WeakPolarHBondContact O-CB 3.3Å; Y138-C142 PolarHBondContact O-N 3.34Å; Y138-C142 PolarHBondContact O-SG 3.28Å; L139-C142 PolarHBondContact O-N 3.14Å; C142-C145 PolarHBondContact O-N 3.38Å; C142-A146 WeakPolarHBondContact O-CB 3.48Å; C142-A146 PolarHBondContact O-N 2.84Å
143V95.9Very high93.6Very high47 Ų4741.3 Ų41.329%0.28523%0.234SC..Hα-helixtrans-61.6-45.3174.2173.10000110.4F111 L139 W140 C145 A146 T147F111-V143 HydrophobicContact CD1-CB 4.03Å; F111-V143 HydrophobicContact CD1-CG1 3.51Å; F111-V143 HydrophobicContact CE1-CB 4.27Å; F111-V143 HydrophobicContact CE1-CG1 3.63Å; F111-V143 HydrophobicContact CG-CG1 4.21Å; F111-V143 HydrophobicContact CZ-CG1 4.39Å; L139-V143 HydrophobicContact CD2-CG2 4.44Å; L139-V143 VanDerWaalsContact O-CG2 3.32Å; L139-V143 WeakPolarHBondContact O-CG2 3.42Å; L139-V143 PolarHBondContact O-N 3.3Å; W140-V143 PolarHBondContact O-N 3.27Å; V143-C145 VanDerWaalsContact C-N 3.34Å; V143-C145 PolarHBondContact O-N 2.86Å; V143-A146 PolarHBondContact O-N 3.25Å; V143-T147 HydrophobicContact CG1-CG2 4.2Å; V143-T147 WeakPolarHBondContact O-CB 3.11Å; V143-T147 VanDerWaalsContact O-CG2 3.28Å; V143-T147 WeakPolarHBondContact O-CG2 3.15Å; V143-T147 PolarHBondContact O-N 3.06Å; V143-T147 PolarHBondContact O-OG1 2.98Å
144C96.7Very high94.4Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-59.2-44.1175.1-62.80000112F111 W140 T141 T147 S148F111-C144 VanDerWaalsContact C-SG 3.53Å; F111-C144 VanDerWaalsContact CB-SG 3.5Å; W140-C144 PolarHBondContact O-N 3.11Å; W140-C144 PolarHBondContact O-SG 3.39Å; T141-C144 PolarHBondContact O-N 3.14Å; C144-T147 WeakPolarHBondContact CA-OG1 3.34Å; C144-T147 PolarHBondContact O-OG1 3.26Å; C144-T147 VanDerWaalsContact O-OG1 3.08Å; C144-S148 VanDerWaalsContact O-CB 3.22Å; C144-S148 WeakPolarHBondContact O-CB 3.46Å; C144-S148 PolarHBondContact O-N 3.43Å; C144-S148 PolarHBondContact O-OG 3.19Å
145C96.7Very high95.2Very high31 Ų3139.5 Ų39.521%0.20922%0.219CC..Hα-helixtrans-64-49.4179.4-172.60000111.7T141 C142 V143 S148 C149 L196 H199T141-C145 WeakPolarHBondContact O-CB 3.34Å; T141-C145 PolarHBondContact O-N 3.31Å; C142-C145 PolarHBondContact O-N 3.38Å; V143-C145 VanDerWaalsContact C-N 3.34Å; V143-C145 PolarHBondContact O-N 2.86Å; C145-S148 PolarHBondContact O-N 2.81Å; C145-C149 WeakPolarHBondContact O-CB 3.39Å; C145-C149 PolarHBondContact O-N 2.74Å; C145-L196 VanDerWaalsContact O-CD1 3.26Å; C145-L196 WeakPolarHBondContact O-CD1 3.37Å; C145-H199 HydrophobicContact CB-CB 4.11Å
146A97.6Very high95.8Very high54 Ų5433.8 Ų33.845%0.44620%0.195SC..Hα-helixtrans-63.3-46.4179.700000111.9C142 V143 S148 C149 L150C142-A146 WeakPolarHBondContact O-CB 3.48Å; C142-A146 PolarHBondContact O-N 2.84Å; V143-A146 PolarHBondContact O-N 3.25Å; A146-S148 PolarHBondContact O-N 3.32Å; A146-C149 WeakPolarHBondContact O-CB 3.48Å; A146-C149 PolarHBondContact O-N 3.15Å; A146-L150 WeakPolarHBondContact O-CG 3.5Å; A146-L150 PolarHBondContact O-N 2.81Å
147T97.4Very high96.2Very high15 Ų1534.9 Ų34.99%0.09220%0.202CC..Hα-helixtrans-64.5-39.417751.50000111.8L104 V107 V108 V143 C144 C149 L150 V151L104-T147 HydrophobicContact CD2-CG2 4.32Å; V107-T147 HydrophobicContact CG1-CG2 4.02Å; V108-T147 WeakPolarHBondContact CG2-OG1 3.47Å; V143-T147 HydrophobicContact CG1-CG2 4.2Å; V143-T147 WeakPolarHBondContact O-CB 3.11Å; V143-T147 VanDerWaalsContact O-CG2 3.28Å; V143-T147 WeakPolarHBondContact O-CG2 3.15Å; V143-T147 PolarHBondContact O-N 3.06Å; V143-T147 PolarHBondContact O-OG1 2.98Å; C144-T147 WeakPolarHBondContact CA-OG1 3.34Å; C144-T147 PolarHBondContact O-OG1 3.26Å; C144-T147 VanDerWaalsContact O-OG1 3.08Å; T147-C149 VanDerWaalsContact C-N 3.33Å; T147-C149 PolarHBondContact O-N 2.88Å; T147-L150 PolarHBondContact O-N 3.12Å; T147-V151 WeakPolarHBondContact O-CG2 3.44Å; T147-V151 PolarHBondContact O-N 2.93Å
148S97.7Very high96.3Very high0 Ų034.9 Ų34.90%020%0.202CC..Hα-helixtrans-62.9-40.7175.3-60.40000112.2C144 C145 A146 V151 L152C144-S148 VanDerWaalsContact O-CB 3.22Å; C144-S148 WeakPolarHBondContact O-CB 3.46Å; C144-S148 PolarHBondContact O-N 3.43Å; C144-S148 PolarHBondContact O-OG 3.19Å; C145-S148 PolarHBondContact O-N 2.81Å; A146-S148 PolarHBondContact O-N 3.32Å; S148-V151 PolarHBondContact O-N 3.2Å; S148-L152 WeakPolarHBondContact O-CG 3.48Å; S148-L152 PolarHBondContact O-N 2.96Å
149C98Very high96.5Very high49 Ų4932.8 Ų32.833%0.33119%0.194SC..Hα-helixtrans-63-45.2175.2-170.90000111.3C145 A146 T147 V151 L152 I153 L196C145-C149 WeakPolarHBondContact O-CB 3.39Å; C145-C149 PolarHBondContact O-N 2.74Å; A146-C149 WeakPolarHBondContact O-CB 3.48Å; A146-C149 PolarHBondContact O-N 3.15Å; T147-C149 VanDerWaalsContact C-N 3.33Å; T147-C149 PolarHBondContact O-N 2.88Å; C149-V151 PolarHBondContact O-N 3.49Å; C149-L152 PolarHBondContact O-N 3.4Å; C149-I153 WeakPolarHBondContact O-CG1 3.26Å; C149-I153 PolarHBondContact O-N 3.43Å; C149-L196 HydrophobicContact CB-CD1 4.03Å; C149-L196 HydrophobicContact CB-CD2 4.48Å
150L98.1Very high96.6Very high85 Ų8533.8 Ų33.845%0.44520%0.195SC..Hα-helixtrans-60.4-42.3177-72.4173.7000112.3L104 A146 T147 L152 I153 L154L104-L150 HydrophobicContact CD1-CB 4.02Å; A146-L150 WeakPolarHBondContact O-CG 3.5Å; A146-L150 PolarHBondContact O-N 2.81Å; T147-L150 PolarHBondContact O-N 3.12Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.07Å; L150-I153 PolarHBondContact O-N 3.37Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 3.4Å
151V98.2Very high96.6Very high0 Ų037.5 Ų37.50%022%0.217CC..Hα-helixtrans-56.2-48.2175.9166.40000111.3W33 I101 L104 T147 S148 C149 L154 F155 F192W33-V151 HydrophobicContact CH2-CG1 3.89Å; W33-V151 HydrophobicContact CZ3-CG1 4.14Å; I101-V151 HydrophobicContact CG2-CG1 4.23Å; L104-V151 HydrophobicContact CB-CG2 3.48Å; L104-V151 VanDerWaalsContact CB-CG2 3.48Å; L104-V151 HydrophobicContact CD1-CG2 4.49Å; T147-V151 WeakPolarHBondContact O-CG2 3.44Å; T147-V151 PolarHBondContact O-N 2.93Å; S148-V151 PolarHBondContact O-N 3.2Å; C149-V151 PolarHBondContact O-N 3.49Å; V151-L154 PolarHBondContact O-N 3.19Å; V151-F155 VanDerWaalsContact O-CB 3.26Å; V151-F155 WeakPolarHBondContact O-CB 3.19Å; V151-F155 PolarHBondContact O-N 3.48Å; V151-F192 HydrophobicContact CB-CD1 4.37Å; V151-F192 HydrophobicContact CB-CE1 3.57Å; V151-F192 HydrophobicContact CB-CZ 3.86Å; V151-F192 HydrophobicContact CG1-CD1 3.94Å; V151-F192 HydrophobicContact CG1-CE1 3.46Å; V151-F192 VanDerWaalsContact CG1-CE1 3.46Å; V151-F192 HydrophobicContact CG1-CE2 4.16Å; V151-F192 HydrophobicContact CG1-CG 4.48Å; V151-F192 HydrophobicContact CG1-CZ 3.59Å; V151-F192 HydrophobicContact CG2-CE1 4.11Å; V151-F192 HydrophobicContact CG2-CZ 3.93Å
152L98.1Very high96.4Very high15 Ų1541.2 Ų41.28%0.07923%0.234CC..Hα-helixtrans-65-42.8-178.5-66.9166.3000112S148 C149 L150 A156 F189 F192 F193 L196S148-L152 WeakPolarHBondContact O-CG 3.48Å; S148-L152 PolarHBondContact O-N 2.96Å; C149-L152 PolarHBondContact O-N 3.4Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.07Å; L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 3.12Å; L152-F189 HydrophobicContact CB-CE2 4.46Å; L152-F189 HydrophobicContact CD2-CD2 3.91Å; L152-F189 HydrophobicContact CD2-CE1 4.37Å; L152-F189 HydrophobicContact CD2-CE2 3.61Å; L152-F189 HydrophobicContact CD2-CG 4.41Å; L152-F189 HydrophobicContact CD2-CZ 3.87Å; L152-F192 HydrophobicContact CD2-CB 4.16Å; L152-F192 HydrophobicContact CD2-CD1 4.01Å; L152-F192 HydrophobicContact CD2-CG 4.5Å; L152-F192 HydrophobicContact CG-CD1 4.02Å; L152-F193 HydrophobicContact CD1-CB 4.28Å; L152-F193 HydrophobicContact CD1-CD2 4Å; L152-F193 HydrophobicContact CD2-CB 4.44Å; L152-L196 HydrophobicContact CD1-CB 4.31Å; L152-L196 HydrophobicContact CD1-CD2 3.91Å
153I97.9Very high96.3Very high98 Ų9845.4 Ų45.450%0.50324%0.241SC..Hα-helixtrans-66.8-46.5179.1-67.1168.9000110.6C149 L150 A156 S157C149-I153 WeakPolarHBondContact O-CG1 3.26Å; C149-I153 PolarHBondContact O-N 3.43Å; L150-I153 PolarHBondContact O-N 3.37Å; I153-A156 PolarHBondContact O-N 3.27Å; I153-S157 WeakPolarHBondContact O-CB 3.47Å; I153-S157 PolarHBondContact O-N 3.42Å; I153-S157 PolarHBondContact O-OG 2.88Å
154L97.4Very high96.1Very high41 Ų4143.1 Ų43.122%0.21523%0.228CC..Hα-helixtrans-67.5-39.8-179.2-69.5173.4000111.6T100 I101 L104 L150 V151 S157 E158T100-L154 HydrophobicContact CG2-CD1 4.13Å; I101-L154 HydrophobicContact CD1-CB 4.1Å; I101-L154 HydrophobicContact CG1-CB 3.67Å; L104-L154 HydrophobicContact CD1-CD1 3.61Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 3.4Å; V151-L154 PolarHBondContact O-N 3.19Å; L154-S157 WeakPolarHBondContact CA-OG 3.44Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 PolarHBondContact O-OG 2.92Å; L154-E158 WeakPolarHBondContact O-CB 3.25Å; L154-E158 PolarHBondContact O-N 2.69Å
155F97.3Very high95.9Very high0 Ų043.2 Ų43.20%023%0.228CC..Hα-helixtrans-65.1-43173.9-177.7-101.7000111.4W33 L34 Y63 L65 I101 V151 S157 E158 V159 Y185 F189W33-F155 HydrophobicContact CB-CE1 4.08Å; W33-F155 HydrophobicContact CB-CE2 4.17Å; W33-F155 HydrophobicContact CB-CZ 3.58Å; W33-F155 AromaticContact CE3-CD1 3.87Å; W33-F155 HydrophobicContact CE3-CD1 3.87Å; W33-F155 HydrophobicContact CE3-CD2 4.02Å; W33-F155 AromaticContact CE3-CE1 3.96Å; W33-F155 HydrophobicContact CE3-CE1 3.96Å; W33-F155 HydrophobicContact CE3-CE2 4.12Å; W33-F155 AromaticContact CE3-CG 3.89Å; W33-F155 HydrophobicContact CE3-CG 3.89Å; W33-F155 HydrophobicContact CE3-CZ 4.09Å; W33-F155 HydrophobicContact CG-CZ 4.39Å; W33-F155 HydrophobicContact CZ3-CB 4.44Å; W33-F155 HydrophobicContact CZ3-CD1 4.4Å; W33-F155 HydrophobicContact CZ3-CG 4.19Å; L34-F155 HydrophobicContact CB-CZ 4.3Å; Y63-F155 HydrophobicContact CE2-CE2 4.29Å; Y63-F155 HydrophobicContact CE2-CZ 4.14Å; L65-F155 HydrophobicContact CD2-CD2 3.96Å; L65-F155 HydrophobicContact CD2-CE2 4.13Å; I101-F155 HydrophobicContact CD1-CB 4.24Å; V151-F155 VanDerWaalsContact O-CB 3.26Å; V151-F155 WeakPolarHBondContact O-CB 3.19Å; V151-F155 PolarHBondContact O-N 3.48Å; F155-S157 VanDerWaalsContact C-N 3.31Å; F155-S157 PolarHBondContact O-N 2.94Å; F155-E158 WeakPolarHBondContact O-CB 3.26Å; F155-E158 PolarHBondContact O-N 3.34Å; F155-V159 HydrophobicContact CD1-CG2 4.29Å; F155-V159 HydrophobicContact CE1-CG2 3.86Å; F155-V159 HydrophobicContact CE2-CG2 4.3Å; F155-V159 HydrophobicContact CZ-CG2 3.86Å; F155-V159 WeakPolarHBondContact O-CG2 3.43Å; F155-V159 PolarHBondContact O-N 3.02Å; F155-Y185 HydrophobicContact CD1-CD1 4.35Å; F155-Y185 AromaticContact CD1-CE1 3.99Å; F155-Y185 HydrophobicContact CD1-CE1 3.99Å; F155-Y185 AromaticContact CE1-CD1 3.94Å; F155-Y185 HydrophobicContact CE1-CD1 3.94Å; F155-Y185 AromaticContact CE1-CE1 3.83Å; F155-Y185 HydrophobicContact CE1-CE1 3.83Å; F155-F189 AromaticContact CD1-CD2 3.64Å; F155-F189 HydrophobicContact CD1-CD2 3.64Å; F155-F189 AromaticContact CD1-CE2 3.9Å; F155-F189 HydrophobicContact CD1-CE2 3.9Å; F155-F189 HydrophobicContact CE1-CD2 4.04Å
156A96.9Very high95.7Very high26 Ų2643.7 Ų43.722%0.21523%0.227CC..Hα-helixtrans-62.6-38.7175.900000112.2L152 I153 V159 K160 Y185L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 3.12Å; I153-A156 PolarHBondContact O-N 3.27Å; A156-V159 PolarHBondContact O-N 2.86Å; A156-K160 WeakPolarHBondContact O-CB 3.44Å; A156-K160 WeakPolarHBondContact O-CG 3.3Å; A156-K160 PolarHBondContact O-N 3.5Å; A156-Y185 WeakPolarHBondContact CA-OH 3.24Å; A156-Y185 WeakPolarHBondContact CB-OH 3.49Å
157S96.1Very high95.5Very high26 Ų2644.2 Ų44.218%0.18222%0.222CC..Hα-helixtrans-69-37.6175.774.20000112I153 L154 F155 V159 K160 I161 H162I153-S157 WeakPolarHBondContact O-CB 3.47Å; I153-S157 PolarHBondContact O-N 3.42Å; I153-S157 PolarHBondContact O-OG 2.88Å; L154-S157 WeakPolarHBondContact CA-OG 3.44Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 PolarHBondContact O-OG 2.92Å; F155-S157 VanDerWaalsContact C-N 3.31Å; F155-S157 PolarHBondContact O-N 2.94Å; S157-V159 PolarHBondContact O-N 3.36Å; S157-K160 PolarHBondContact O-N 2.84Å; S157-I161 WeakPolarHBondContact O-CA 3.47Å; S157-I161 VanDerWaalsContact O-CB 3.23Å; S157-I161 WeakPolarHBondContact O-CB 3.06Å; S157-I161 PolarHBondContact O-N 3.35Å; S157-H162 PolarHBondContact O-N 2.84Å
158E94.9Very high95.2Very high0 Ų043.5 Ų43.50%022%0.218CC..Hα-helixtrans-59.1-47.2173.5-161.5175.7-163.500111.6P94 L97 H98 I101 L154 F155 H162 R163 L164P94-E158 HydrophobicContact CG-CG 4.48Å; L97-E158 HydrophobicContact CD2-CB 3.5Å; L97-E158 HydrophobicContact CD2-CG 3.64Å; H98-E158 VanDerWaalsContact CB-OE1 3.23Å; H98-E158 WeakPolarHBondContact CB-OE1 3.32Å; H98-E158 IonicContact CE1-OE2 3.74Å; H98-E158 IonicContact CG-OE1 2.97Å; H98-E158 VanDerWaalsContact ND1-CD 3.29Å; H98-E158 IonicContact ND1-OE1 3.82Å; H98-E158 PolarHBondContact ND1-OE1 3.49Å; H98-E158 IonicContact ND1-OE2 2.69Å; H98-E158 PolarHBondContact ND1-OE2 2.93Å; I101-E158 HydrophobicContact CD1-CB 4.3Å; I101-E158 VanDerWaalsContact CD1-OE2 3.24Å; I101-E158 WeakPolarHBondContact CD1-OE2 3.43Å; L154-E158 WeakPolarHBondContact O-CB 3.25Å; L154-E158 PolarHBondContact O-N 2.69Å; F155-E158 WeakPolarHBondContact O-CB 3.26Å; F155-E158 PolarHBondContact O-N 3.34Å; E158-H162 CarbonylContact O-C 3.47Å; E158-H162 WeakPolarHBondContact O-CB 3.37Å; E158-H162 PolarHBondContact O-N 2.86Å; E158-R163 PolarHBondContact O-N 3.45Å; E158-L164 HydrophobicContact CG-CB 4.25Å; E158-L164 HydrophobicContact CG-CD1 4.48Å; E158-L164 HydrophobicContact CG-CD2 3.92Å; E158-L164 HydrophobicContact CG-CG 4.43Å; E158-L164 WeakPolarHBondContact O-CB 3.5Å; E158-L164 PolarHBondContact O-N 3.02Å
159V94.9Very high94.9Very high1 Ų143.7 Ų43.71%0.00622%0.219CC..Hα-helixtrans-65.2-50.4178.9175.90000111L34 F155 A156 S157 R163 L164L34-V159 HydrophobicContact CD1-CG1 4.06Å; L34-V159 HydrophobicContact CD1-CG2 4.37Å; L34-V159 HydrophobicContact CD2-CG1 3.96Å; L34-V159 HydrophobicContact CD2-CG2 4.46Å; F155-V159 HydrophobicContact CD1-CG2 4.29Å; F155-V159 HydrophobicContact CE1-CG2 3.86Å; F155-V159 HydrophobicContact CE2-CG2 4.3Å; F155-V159 HydrophobicContact CZ-CG2 3.86Å; F155-V159 WeakPolarHBondContact O-CG2 3.43Å; F155-V159 PolarHBondContact O-N 3.02Å; A156-V159 PolarHBondContact O-N 2.86Å; S157-V159 PolarHBondContact O-N 3.36Å; V159-R163 VanDerWaalsContact O-CA 3.31Å; V159-R163 WeakPolarHBondContact O-CA 3.35Å; V159-R163 PolarHBondContact O-N 3.2Å; V159-L164 PolarHBondContact O-N 3.47Å
160K94.5Very high94.6Very high111 Ų11143.8 Ų43.848%0.48322%0.216SC..Hα-helixtrans-88.8-40.1-168.6-63.7-59.8-177-171.80114.8A156 S157 E183A156-K160 WeakPolarHBondContact O-CB 3.44Å; A156-K160 WeakPolarHBondContact O-CG 3.3Å; A156-K160 PolarHBondContact O-N 3.5Å; S157-K160 PolarHBondContact O-N 2.84Å; K160-E183 IonicContact NZ-OE2 3.92Å; K160-E183 PolarHBondContact NZ-OE2 3.13Å
161I93Very high94.1Very high128 Ų12841.5 Ų41.566%0.65620%0.203SC*.THydrogen-bonded Turntrans-86.9-49.4-177-56.4-177.5000109.9S157 R163S157-I161 WeakPolarHBondContact O-CA 3.47Å; S157-I161 VanDerWaalsContact O-CB 3.23Å; S157-I161 WeakPolarHBondContact O-CB 3.06Å; S157-I161 PolarHBondContact O-N 3.35Å; I161-R163 VanDerWaalsContact C-N 3.25Å; I161-R163 PolarHBondContact O-N 3.4Å
162H91.3Very high93.4Very high79 Ų7949.6 Ų49.637%0.36623%0.234SC..SBendtrans-83.70.3179.8-69.5-76.5000113.9P94 S157 E158 L164 L167P94-H162 HydrophobicContact CG-CB 3.87Å; S157-H162 PolarHBondContact O-N 2.84Å; E158-H162 CarbonylContact O-C 3.47Å; E158-H162 WeakPolarHBondContact O-CB 3.37Å; E158-H162 PolarHBondContact O-N 2.86Å; H162-L164 VanDerWaalsContact C-N 3.25Å; H162-L164 PolarHBondContact O-N 2.77Å; H162-L167 WeakPolarHBondContact O-CD1 3.3Å
163R92.9Very high92.7Very high147 Ų14751.3 Ų51.356%0.55524%0.241SC*.  trans49.747.4177.4-54.6-166.7-177.5-173.8-1.8112.3E158 V159 I161 S165 E166 L167E158-R163 PolarHBondContact O-N 3.45Å; V159-R163 VanDerWaalsContact O-CA 3.31Å; V159-R163 WeakPolarHBondContact O-CA 3.35Å; V159-R163 PolarHBondContact O-N 3.2Å; I161-R163 VanDerWaalsContact C-N 3.25Å; I161-R163 PolarHBondContact O-N 3.4Å; R163-S165 PolarHBondContact O-N 2.82Å; R163-S165 VanDerWaalsContact O-N 3.11Å; R163-E166 HydrophobicContact CB-CB 4.19Å; R163-E166 HydrophobicContact CB-CG 4.27Å; R163-E166 WeakPolarHBondContact CD-OE2 3.13Å; R163-E166 IonicContact CZ-OE2 3.1Å; R163-E166 IonicContact NE-OE2 2.8Å; R163-E166 IonicContact NH1-OE1 3.95Å; R163-E166 IonicContact NH1-OE2 3.96Å; R163-E166 PolarHBondContact NH1-OE2 2.79Å; R163-E166 VanDerWaalsContact NH1-OE2 3.1Å; R163-E166 WeakPolarHBondContact O-CB 3.39Å; R163-E166 PolarHBondContact O-N 3.08Å; R163-L167 PolarHBondContact O-N 2.89Å; R163-L167 VanDerWaalsContact O-N 3.11Å
164L92.6Very high92Very high0 Ų055.4 Ų55.40%026%0.258CS..Hα-helixtrans-52.1-39.9-173.4-178.363.3000112.8Y63 F85 I93 E158 V159 H162 E166 L167 I168Y63-L164 HydrophobicContact CD2-CD2 4.47Å; Y63-L164 HydrophobicContact CE2-CD2 3.58Å; Y63-L164 HydrophobicContact CE2-CG 4.36Å; F85-L164 HydrophobicContact CE1-CD1 4.02Å; F85-L164 HydrophobicContact CE1-CD2 4.15Å; F85-L164 HydrophobicContact CZ-CD2 4.15Å; I93-L164 HydrophobicContact CB-CD1 4.31Å; I93-L164 HydrophobicContact CG2-CD1 3.81Å; E158-L164 HydrophobicContact CG-CB 4.25Å; E158-L164 HydrophobicContact CG-CD1 4.48Å; E158-L164 HydrophobicContact CG-CD2 3.92Å; E158-L164 HydrophobicContact CG-CG 4.43Å; E158-L164 WeakPolarHBondContact O-CB 3.5Å; E158-L164 PolarHBondContact O-N 3.02Å; V159-L164 PolarHBondContact O-N 3.47Å; H162-L164 VanDerWaalsContact C-N 3.25Å; H162-L164 PolarHBondContact O-N 2.77Å; L164-E166 VanDerWaalsContact C-N 3.32Å; L164-E166 PolarHBondContact O-N 2.79Å; L164-L167 PolarHBondContact O-N 3.21Å; L164-I168 HydrophobicContact CD1-CD1 4.02Å; L164-I168 HydrophobicContact CD1-CG1 4.12Å; L164-I168 HydrophobicContact CD2-CD1 4.24Å; L164-I168 HydrophobicContact CG-CD1 3.68Å; L164-I168 HydrophobicContact CG-CG1 4.24Å; L164-I168 WeakPolarHBondContact O-CB 3.41Å; L164-I168 VanDerWaalsContact O-CG1 3.23Å; L164-I168 WeakPolarHBondContact O-CG1 3.18Å; L164-I168 PolarHBondContact O-N 2.85Å
165S93.3Very high91.4Very high1 Ų159.5 Ų59.51%0.00728%0.28CS..Hα-helixtrans-60.6-37.5176.9-53.50000113.6L34 Y63 R163 S169 T180 E183L34-S165 WeakPolarHBondContact CD2-OG 3.46Å; Y63-S165 PolarHBondContact OH-OG 2.95Å; R163-S165 PolarHBondContact O-N 2.82Å; R163-S165 VanDerWaalsContact O-N 3.11Å; S165-S169 WeakPolarHBondContact O-CB 3.42Å; S165-S169 PolarHBondContact O-N 2.77Å; S165-S169 PolarHBondContact O-OG 2.99Å; S165-T180 WeakPolarHBondContact CB-OG1 3.37Å; S165-E183 WeakPolarHBondContact CB-OE1 3.42Å; S165-E183 PolarHBondContact OG-OE1 2.98Å
166E92.4Very high91Very high41 Ų4162.7 Ų62.719%0.19229%0.294CS..Hα-helixtrans-70.7-43.5176-63.2-171.6166.900110.4R163 L164 I168 S169 N170 T180R163-E166 HydrophobicContact CB-CB 4.19Å; R163-E166 HydrophobicContact CB-CG 4.27Å; R163-E166 WeakPolarHBondContact CD-OE2 3.13Å; R163-E166 IonicContact CZ-OE2 3.1Å; R163-E166 IonicContact NE-OE2 2.8Å; R163-E166 IonicContact NH1-OE1 3.95Å; R163-E166 IonicContact NH1-OE2 3.96Å; R163-E166 PolarHBondContact NH1-OE2 2.79Å; R163-E166 VanDerWaalsContact NH1-OE2 3.1Å; R163-E166 WeakPolarHBondContact O-CB 3.39Å; R163-E166 PolarHBondContact O-N 3.08Å; L164-E166 VanDerWaalsContact C-N 3.32Å; L164-E166 PolarHBondContact O-N 2.79Å; E166-I168 PolarHBondContact O-N 2.89Å; E166-S169 WeakPolarHBondContact CA-OG 3.33Å; E166-S169 PolarHBondContact O-N 2.96Å; E166-S169 PolarHBondContact O-OG 3.24Å; E166-N170 WeakPolarHBondContact O-CB 3.44Å; E166-N170 PolarHBondContact O-N 2.85Å; E166-N170 PolarHBondContact O-ND2 2.99Å; E166-T180 WeakPolarHBondContact CG-OG1 3.16Å
167L92.1Very high90.7Very high65 Ų6565.1 Ų65.134%0.3431%0.306SS..Hα-helixtrans-60.9-45.4177.1-65.5174.5000111.5H162 R163 L164 F171H162-L167 WeakPolarHBondContact O-CD1 3.3Å; R163-L167 PolarHBondContact O-N 2.89Å; R163-L167 VanDerWaalsContact O-N 3.11Å; L164-L167 PolarHBondContact O-N 3.21Å; L167-F171 WeakPolarHBondContact O-CB 3.36Å; L167-F171 PolarHBondContact O-N 3.46Å; L167-F171 VanDerWaalsContact O-N 3.11Å
168I91.9Very high90.5Very high1 Ų164.1 Ų64.11%0.00530%0.298CS..Hα-helixtrans-63.1-46.1177.5-69.6167.4000110.9L61 Y63 R70 F83 F85 L89 L164 E166 F171L61-I168 HydrophobicContact CD1-CG2 3.82Å; Y63-I168 HydrophobicContact CD1-CD1 3.74Å; Y63-I168 HydrophobicContact CD2-CD1 4.24Å; Y63-I168 HydrophobicContact CE1-CD1 3.72Å; Y63-I168 HydrophobicContact CE2-CD1 4.23Å; Y63-I168 HydrophobicContact CG-CD1 3.99Å; R70-I168 PolarHBondContact NH1-O 3.34Å; F83-I168 HydrophobicContact CD1-CG2 4.24Å; F83-I168 HydrophobicContact CD2-CG2 4.25Å; F83-I168 HydrophobicContact CE1-CG2 3.6Å; F83-I168 HydrophobicContact CE2-CD1 4.08Å; F83-I168 HydrophobicContact CE2-CG1 4.19Å; F83-I168 HydrophobicContact CE2-CG2 3.62Å; F83-I168 HydrophobicContact CZ-CB 4.44Å; F83-I168 HydrophobicContact CZ-CD1 4.07Å; F83-I168 HydrophobicContact CZ-CG1 4.38Å; F83-I168 HydrophobicContact CZ-CG2 3.25Å; F85-I168 HydrophobicContact CE1-CD1 4.39Å; F85-I168 HydrophobicContact CE2-CD1 4.42Å; F85-I168 HydrophobicContact CZ-CD1 3.71Å; F85-I168 HydrophobicContact CZ-CG1 4.47Å; L89-I168 HydrophobicContact CD2-CB 4.37Å; L89-I168 HydrophobicContact CD2-CG1 3.67Å; L164-I168 HydrophobicContact CD1-CD1 4.02Å; L164-I168 HydrophobicContact CD1-CG1 4.12Å; L164-I168 HydrophobicContact CD2-CD1 4.24Å; L164-I168 HydrophobicContact CG-CD1 3.68Å; L164-I168 HydrophobicContact CG-CG1 4.24Å; L164-I168 WeakPolarHBondContact O-CB 3.41Å; L164-I168 VanDerWaalsContact O-CG1 3.23Å; L164-I168 WeakPolarHBondContact O-CG1 3.18Å; L164-I168 PolarHBondContact O-N 2.85Å; E166-I168 PolarHBondContact O-N 2.89Å; I168-F171 WeakPolarHBondContact O-CB 3.4Å; I168-F171 PolarHBondContact O-N 3.36Å
169S90.8Very high90.4Very high3 Ų368 Ų682%0.02132%0.316CS..Hα-helixtrans-68.7-37.9-17552.30000112.8R70 S165 E166 F171R70-S169 PolarHBondContact NH1-O 2.76Å; S165-S169 WeakPolarHBondContact O-CB 3.42Å; S165-S169 PolarHBondContact O-N 2.77Å; S165-S169 PolarHBondContact O-OG 2.99Å; E166-S169 WeakPolarHBondContact CA-OG 3.33Å; E166-S169 PolarHBondContact O-N 2.96Å; E166-S169 PolarHBondContact O-OG 3.24Å; S169-F171 VanDerWaalsContact C-N 3.32Å
170N91.1Very high90.3Very high51 Ų5169.4 Ų69.427%0.27333%0.325SS..Hα-helixtrans-83.9-2.5177.5-65.2-71.2000113.9E166 R172 E173 F178E166-N170 WeakPolarHBondContact O-CB 3.44Å; E166-N170 PolarHBondContact O-N 2.85Å; E166-N170 PolarHBondContact O-ND2 2.99Å; N170-R172 PolarHBondContact O-N 3.38Å; N170-E173 PolarHBondContact O-N 3.03Å; N170-E173 VanDerWaalsContact O-N 3.1Å; N170-F178 PolarHBondContact ND2-O 2.86Å; N170-F178 PolarHBondContact OD1-N 3.11Å
171F88.3Confident90.2Very high38 Ų3869 Ų6917%0.16733%0.325CS..THydrogen-bonded Turntrans-64123.9179.3-174.4-107.5000112.1R70 D88 L89 L167 I168 S169 E173R70-F171 PolarHBondContact NH1-O 3.07Å; R70-F171 PolarHBondContact NH2-O 2.9Å; D88-F171 HydrophobicContact CB-CE1 4.27Å; D88-F171 VanDerWaalsContact O-CE1 3.29Å; D88-F171 WeakPolarHBondContact O-CE1 3.12Å; D88-F171 WeakPolarHBondContact O-CZ 3.48Å; L89-F171 HydrophobicContact CD1-CD1 3.43Å; L89-F171 VanDerWaalsContact CD1-CD1 3.43Å; L89-F171 HydrophobicContact CD1-CE1 3.67Å; L89-F171 HydrophobicContact CD1-CG 3.96Å; L89-F171 HydrophobicContact CD1-CZ 4.42Å; L89-F171 HydrophobicContact CG-CB 4.49Å; L89-F171 HydrophobicContact CG-CD1 3.98Å; L89-F171 HydrophobicContact CG-CD2 4.29Å; L89-F171 HydrophobicContact CG-CE1 4.31Å; L89-F171 HydrophobicContact CG-CG 3.98Å; L167-F171 WeakPolarHBondContact O-CB 3.36Å; L167-F171 PolarHBondContact O-N 3.46Å; L167-F171 VanDerWaalsContact O-N 3.11Å; I168-F171 WeakPolarHBondContact O-CB 3.4Å; I168-F171 PolarHBondContact O-N 3.36Å; S169-F171 VanDerWaalsContact C-N 3.32Å; F171-E173 PolarHBondContact O-N 3.33Å
172R83.3Confident90.2Very high170 Ų17064.9 Ų64.964%0.64231%0.307SS*.THydrogen-bonded Turntrans53.832.1-172.2-58.7-178.2-153.916611.4113.6D88 N170D88-R172 IonicContact OD1-CZ 3.84Å; D88-R172 IonicContact OD1-NH2 2.84Å; D88-R172 PolarHBondContact OD1-NH2 2.82Å; N170-R172 PolarHBondContact O-N 3.38Å
173E84.4Confident90.4Very high51 Ų5162.9 Ų62.924%0.23830%0.298CS..  trans-105.1128171.6-169.365.6-12500109.8K72 N170 F171 F176 F178K72-E173 IonicContact NZ-OE2 2.64Å; K72-E173 PolarHBondContact NZ-OE2 2.61Å; N170-E173 PolarHBondContact O-N 3.03Å; N170-E173 VanDerWaalsContact O-N 3.1Å; F171-E173 PolarHBondContact O-N 3.33Å; E173-F176 HydrophobicContact CG-CB 4.23Å; E173-F176 WeakPolarHBondContact CG-O 3.23Å; E173-F178 HydrophobicContact CG-CD2 4.19Å; E173-F178 HydrophobicContact CG-CE2 3.81Å
174E82.3Confident90.6Very high184 Ų18465.1 Ų65.186%0.8631%0.307SS*.SBendtrans-109.3-31.5-177.9-64.9-177.4173.800112.4
175N85.1Confident90.8Very high126 Ų12667.8 Ų67.867%0.67432%0.317SS*.SBendtrans-100-27.7-168.4-63.3-54.1000113.6
176F88.4Confident90.9Very high68 Ų6868.8 Ų68.830%0.29832%0.322SS..  trans-124.7139.9-173.3-60-73.5000111.5T42 E173 F178T42-F176 VanDerWaalsContact OG1-CA 3.24Å; T42-F176 WeakPolarHBondContact OG1-CA 3.41Å; T42-F176 WeakPolarHBondContact OG1-CB 3.44Å; T42-F176 WeakPolarHBondContact OG1-CD1 3.35Å; E173-F176 HydrophobicContact CG-CB 4.23Å; E173-F176 WeakPolarHBondContact CG-O 3.23Å; F176-F178 HydrophobicContact CB-CE2 4.04Å; F176-F178 HydrophobicContact CB-CZ 4.34Å
177V91.8Very high91.1Very high77 Ų7775.1 Ų75.147%0.46734%0.344SS..  trans-99.5121.6172.1-177.20000108.9R41 T42R41-V177 PolarHBondContact N-O 3.32Å; T42-V177 HydrophobicContact CG2-CB 3.96Å; T42-V177 HydrophobicContact CG2-CG2 3.95Å; T42-V177 PolarHBondContact OG1-N 2.87Å
178F91.8Very high91.4Very high4 Ų472.1 Ų72.12%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-97.5130.8173.6-66.9-84000110V38 L39 C40 K72 N170 E173 F176V38-F178 HydrophobicContact CG2-CD1 4.37Å; L39-F178 CarbonylContact O-C 3.52Å; L39-F178 WeakPolarHBondContact O-CA 3.45Å; C40-F178 HydrophobicContact CB-CD1 4.05Å; C40-F178 HydrophobicContact CB-CE1 3.7Å; C40-F178 HydrophobicContact CB-CZ 4.5Å; K72-F178 HydrophobicContact CB-CE1 4.21Å; K72-F178 HydrophobicContact CB-CZ 3.84Å; K72-F178 HydrophobicContact CD-CE2 3.93Å; K72-F178 HydrophobicContact CD-CZ 3.87Å; K72-F178 HydrophobicContact CG-CE1 4.22Å; K72-F178 HydrophobicContact CG-CE2 4.21Å; K72-F178 HydrophobicContact CG-CZ 3.76Å; N170-F178 PolarHBondContact ND2-O 2.86Å; N170-F178 PolarHBondContact OD1-N 3.11Å; E173-F178 HydrophobicContact CG-CD2 4.19Å; E173-F178 HydrophobicContact CG-CE2 3.81Å; F176-F178 HydrophobicContact CB-CE2 4.04Å; F176-F178 HydrophobicContact CB-CZ 4.34Å
179Q92.7Very high91.7Very high81 Ų8173 Ų7338%0.37933%0.333SS..EExtended strand (participates in β ladder)trans-116.8143.3176.9-173.4175.22.500109.8V38 L39 R41 H181V38-Q179 CarbonylContact C-O 3.51Å; V38-Q179 WeakPolarHBondContact CA-O 3.46Å; L39-Q179 PolarHBondContact N-O 3.24Å; L39-Q179 PolarHBondContact O-N 3.43Å; R41-Q179 HydrophobicContact CB-CB 4.5Å; Q179-H181 PolarHBondContact O-N 2.97Å
180T92.3Very high92Very high32 Ų3279.9 Ų79.920%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-66.5121175.2-67.10000110.5S165 E166 E183S165-T180 WeakPolarHBondContact CB-OG1 3.37Å; E166-T180 WeakPolarHBondContact CG-OG1 3.16Å; T180-E183 VanDerWaalsContact CG2-CD 3.48Å; T180-E183 HydrophobicContact CG2-CG 3.33Å; T180-E183 WeakPolarHBondContact CG2-OE1 3.35Å
181H91.9Very high92.3Very high103 Ų10380.6 Ų80.648%0.47736%0.362SS..EExtended strand (participates in β ladder)trans-92.4-47.6175.4179.1-100.8000111.4V37 L39 L58 Q179V37-H181 HydrophobicContact CB-CB 4.49Å; V37-H181 HydrophobicContact CG1-CB 4.4Å; V37-H181 WeakPolarHBondContact O-CA 3.26Å; V37-H181 WeakPolarHBondContact O-CB 3.31Å; V37-H181 PolarHBondContact O-N 3.13Å; L39-H181 HydrophobicContact CB-CB 4.26Å; L58-H181 HydrophobicContact CD2-CB 4.06Å; Q179-H181 PolarHBondContact O-N 2.97Å
182S93.4Very high92.8Very high40 Ų4078.8 Ų78.828%0.2835%0.354SS..EExtended strand (participates in β ladder)trans-150.9147.9176.972.20000111.4G36 V37G36-S182 CarbonylContact C-O 3.55Å; G36-S182 WeakPolarHBondContact CA-O 3.45Å; V37-S182 PolarHBondContact N-O 3.34Å; V37-S182 PolarHBondContact O-N 2.84Å; V37-S182 VanDerWaalsContact O-N 3.15Å
183E95.6Very high93.5Very high38 Ų3874.8 Ų74.818%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-136.4132.7179.3-62.1176.4144.100109.6L34 K160 S165 T180L34-E183 HydrophobicContact CD1-CB 4.5Å; L34-E183 HydrophobicContact CD2-CB 4.32Å; L34-E183 HydrophobicContact CD2-CG 4.33Å; K160-E183 IonicContact NZ-OE2 3.92Å; K160-E183 PolarHBondContact NZ-OE2 3.13Å; S165-E183 WeakPolarHBondContact CB-OE1 3.42Å; S165-E183 PolarHBondContact OG-OE1 2.98Å; T180-E183 VanDerWaalsContact CG2-CD 3.48Å; T180-E183 HydrophobicContact CG2-CG 3.33Å; T180-E183 WeakPolarHBondContact CG2-OE1 3.35Å
184R96.6Very high94.1Very high193 Ų19376.6 Ų76.673%0.72835%0.352SS*.EExtended strand (participates in β ladder)trans-134.9134.2176.5-62.8-177.4-177.7172.81.8109.4L34 R35L34-R184 WeakPolarHBondContact CD1-O 3.38Å; R35-R184 PolarHBondContact N-O 3.45Å; R35-R184 PolarHBondContact O-N 3.21Å
185Y97.3Very high94.9Very high57 Ų5768 Ų6822%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-67.3134.5170.2-63.3-68.5000110.1L34 F155 A156 F189 W190L34-Y185 HydrophobicContact CD1-CD1 3.71Å; L34-Y185 HydrophobicContact CD1-CE1 3.92Å; L34-Y185 HydrophobicContact CD1-CG 4.36Å; F155-Y185 HydrophobicContact CD1-CD1 4.35Å; F155-Y185 AromaticContact CD1-CE1 3.99Å; F155-Y185 HydrophobicContact CD1-CE1 3.99Å; F155-Y185 AromaticContact CE1-CD1 3.94Å; F155-Y185 HydrophobicContact CE1-CD1 3.94Å; F155-Y185 AromaticContact CE1-CE1 3.83Å; F155-Y185 HydrophobicContact CE1-CE1 3.83Å; A156-Y185 WeakPolarHBondContact CA-OH 3.24Å; A156-Y185 WeakPolarHBondContact CB-OH 3.49Å; Y185-F189 VanDerWaalsContact CB-CD1 3.5Å; Y185-F189 HydrophobicContact CD1-CB 4.31Å; Y185-F189 AromaticContact CD1-CD1 3.96Å; Y185-F189 HydrophobicContact CD1-CD1 3.96Å; Y185-F189 AromaticContact CD1-CD2 3.66Å; Y185-F189 HydrophobicContact CD1-CD2 3.66Å; Y185-F189 HydrophobicContact CD1-CE1 4.15Å; Y185-F189 AromaticContact CD1-CE2 3.86Å; Y185-F189 HydrophobicContact CD1-CE2 3.86Å; Y185-F189 AromaticContact CD1-CG 3.7Å; Y185-F189 HydrophobicContact CD1-CG 3.7Å; Y185-F189 HydrophobicContact CD1-CZ 4.1Å; Y185-F189 HydrophobicContact CD2-CD1 4.3Å; Y185-F189 HydrophobicContact CD2-CE1 4.03Å; Y185-F189 HydrophobicContact CD2-CZ 4.32Å; Y185-F189 HydrophobicContact CE1-CD2 4.1Å; Y185-F189 AromaticContact CE1-CE2 3.91Å; Y185-F189 HydrophobicContact CE1-CE2 3.91Å; Y185-F189 HydrophobicContact CE1-CZ 4.2Å; Y185-F189 HydrophobicContact CE2-CZ 4.41Å; Y185-F189 AromaticContact CG-CD1 3.67Å; Y185-F189 HydrophobicContact CG-CD1 3.67Å; Y185-F189 HydrophobicContact CG-CD2 4.24Å; Y185-F189 AromaticContact CG-CE1 3.82Å; Y185-F189 HydrophobicContact CG-CE1 3.82Å; Y185-F189 HydrophobicContact CG-CE2 4.37Å; Y185-F189 AromaticContact CG-CG 3.88Å; Y185-F189 HydrophobicContact CG-CG 3.88Å; Y185-F189 HydrophobicContact CG-CZ 4.17Å; Y185-W190 PolarHBondContact O-NE1 3.48Å; Y185-W190 VanDerWaalsContact O-NE1 3.15Å
186D96.4Very high95.5Very high21 Ų2163.4 Ų63.411%0.11229%0.287CS..  trans-106.8-177.1-175-162.42.8000110.8Y32 W33 R35 C188 F189 W190Y32-D186 CarbonylContact O-C 3.36Å; Y32-D186 WeakPolarHBondContact O-CB 3.37Å; W33-D186 PolarHBondContact O-N 2.89Å; R35-D186 HydrophobicContact CB-CB 4.38Å; D186-C188 VanDerWaalsContact C-N 3.3Å; D186-C188 PolarHBondContact O-N 3.16Å; D186-C188 VanDerWaalsContact O-N 3.14Å; D186-F189 WeakPolarHBondContact O-CB 3.43Å; D186-F189 PolarHBondContact O-N 3.38Å; D186-W190 PolarHBondContact O-N 3.39Å
187R96.6Very high96Very high174 Ų17464.3 Ų64.366%0.65729%0.294SS*.Hα-helixtrans-50.2-42.5-166.4-65.5165.9-172.1170.10.7114Y32 F189 W190 I191Y32-R187 PolarHBondContact O-N 3.49Å; R187-F189 VanDerWaalsContact C-N 3.32Å; R187-F189 PolarHBondContact O-N 3.26Å; R187-W190 PolarHBondContact O-N 3.34Å; R187-I191 WeakPolarHBondContact O-CB 3.23Å; R187-I191 VanDerWaalsContact O-CG1 3.25Å; R187-I191 WeakPolarHBondContact O-CG1 3.39Å; R187-I191 PolarHBondContact O-N 3.4Å
188C97.5Very high96.2Very high3 Ų362.3 Ų62.32%0.0228%0.281CS..Hα-helixtrans-63.3-39.4-177.7-67.40000111.9V27 L30 Y32 W33 D186 I191 F192V27-C188 HydrophobicContact CB-CB 3.89Å; V27-C188 HydrophobicContact CG1-CB 4.32Å; L30-C188 VanDerWaalsContact CB-SG 3.58Å; Y32-C188 WeakPolarHBondContact O-CB 3.02Å; Y32-C188 PolarHBondContact O-N 3.42Å; W33-C188 VanDerWaalsContact CD1-CB 3.42Å; W33-C188 HydrophobicContact CD2-CB 4.22Å; W33-C188 HydrophobicContact CG-CB 3.84Å; D186-C188 VanDerWaalsContact C-N 3.3Å; D186-C188 PolarHBondContact O-N 3.16Å; D186-C188 VanDerWaalsContact O-N 3.14Å; C188-I191 PolarHBondContact O-N 3.45Å; C188-F192 WeakPolarHBondContact O-CB 3.11Å; C188-F192 PolarHBondContact O-N 3.48Å
189F97.4Very high96.5Very high20 Ų2062.2 Ų62.29%0.08828%0.28CS..Hα-helixtrans-64.4-45.1176.7-179.3-90000111.3W33 L152 F155 Y185 D186 R187 F192 F193W33-F189 HydrophobicContact CE3-CB 4.49Å; W33-F189 HydrophobicContact CE3-CD2 4.34Å; L152-F189 HydrophobicContact CB-CE2 4.46Å; L152-F189 HydrophobicContact CD2-CD2 3.91Å; L152-F189 HydrophobicContact CD2-CE1 4.37Å; L152-F189 HydrophobicContact CD2-CE2 3.61Å; L152-F189 HydrophobicContact CD2-CG 4.41Å; L152-F189 HydrophobicContact CD2-CZ 3.87Å; F155-F189 AromaticContact CD1-CD2 3.64Å; F155-F189 HydrophobicContact CD1-CD2 3.64Å; F155-F189 AromaticContact CD1-CE2 3.9Å; F155-F189 HydrophobicContact CD1-CE2 3.9Å; F155-F189 HydrophobicContact CE1-CD2 4.04Å; Y185-F189 VanDerWaalsContact CB-CD1 3.5Å; Y185-F189 HydrophobicContact CD1-CB 4.31Å; Y185-F189 AromaticContact CD1-CD1 3.96Å; Y185-F189 HydrophobicContact CD1-CD1 3.96Å; Y185-F189 AromaticContact CD1-CD2 3.66Å; Y185-F189 HydrophobicContact CD1-CD2 3.66Å; Y185-F189 HydrophobicContact CD1-CE1 4.15Å; Y185-F189 AromaticContact CD1-CE2 3.86Å; Y185-F189 HydrophobicContact CD1-CE2 3.86Å; Y185-F189 AromaticContact CD1-CG 3.7Å; Y185-F189 HydrophobicContact CD1-CG 3.7Å; Y185-F189 HydrophobicContact CD1-CZ 4.1Å; Y185-F189 HydrophobicContact CD2-CD1 4.3Å; Y185-F189 HydrophobicContact CD2-CE1 4.03Å; Y185-F189 HydrophobicContact CD2-CZ 4.32Å; Y185-F189 HydrophobicContact CE1-CD2 4.1Å; Y185-F189 AromaticContact CE1-CE2 3.91Å; Y185-F189 HydrophobicContact CE1-CE2 3.91Å; Y185-F189 HydrophobicContact CE1-CZ 4.2Å; Y185-F189 HydrophobicContact CE2-CZ 4.41Å; Y185-F189 AromaticContact CG-CD1 3.67Å; Y185-F189 HydrophobicContact CG-CD1 3.67Å; Y185-F189 HydrophobicContact CG-CD2 4.24Å; Y185-F189 AromaticContact CG-CE1 3.82Å; Y185-F189 HydrophobicContact CG-CE1 3.82Å; Y185-F189 HydrophobicContact CG-CE2 4.37Å; Y185-F189 AromaticContact CG-CG 3.88Å; Y185-F189 HydrophobicContact CG-CG 3.88Å; Y185-F189 HydrophobicContact CG-CZ 4.17Å; D186-F189 WeakPolarHBondContact O-CB 3.43Å; D186-F189 PolarHBondContact O-N 3.38Å; R187-F189 VanDerWaalsContact C-N 3.32Å; R187-F189 PolarHBondContact O-N 3.26Å; F189-F192 WeakPolarHBondContact O-CB 3.34Å; F189-F192 PolarHBondContact O-N 3.47Å; F189-F193 PolarHBondContact O-N 3.44Å
190W97.9Very high96.6Very high146 Ų14659.6 Ų59.655%0.55328%0.275SS*.Hα-helixtrans-68.9-35.7179.1-68.5109.7000113.3Y185 D186 R187 F192 F193 L194Y185-W190 PolarHBondContact O-NE1 3.48Å; Y185-W190 VanDerWaalsContact O-NE1 3.15Å; D186-W190 PolarHBondContact O-N 3.39Å; R187-W190 PolarHBondContact O-N 3.34Å; W190-F192 VanDerWaalsContact C-N 3.31Å; W190-F193 HydrophobicContact CE3-CD1 4.28Å; W190-F193 HydrophobicContact CZ3-CD1 4.43Å; W190-F193 WeakPolarHBondContact O-CB 3.35Å; W190-F193 PolarHBondContact O-N 3.07Å; W190-L194 PolarHBondContact O-N 3.16Å
191I97.9Very high96.8Very high66 Ų6661.8 Ų61.834%0.33829%0.285SS..Hα-helixtrans-64.4-40.2171.2-68.2165.1000109.9V27 R187 C188 F193 L194 I195V27-I191 HydrophobicContact CG1-CB 3.84Å; V27-I191 HydrophobicContact CG1-CD1 4.02Å; V27-I191 HydrophobicContact CG1-CG2 3.54Å; R187-I191 WeakPolarHBondContact O-CB 3.23Å; R187-I191 VanDerWaalsContact O-CG1 3.25Å; R187-I191 WeakPolarHBondContact O-CG1 3.39Å; R187-I191 PolarHBondContact O-N 3.4Å; C188-I191 PolarHBondContact O-N 3.45Å; I191-F193 VanDerWaalsContact C-N 3.32Å; I191-F193 PolarHBondContact O-N 2.73Å; I191-L194 WeakPolarHBondContact O-CB 3.07Å; I191-L194 PolarHBondContact O-N 3.09Å; I191-L194 VanDerWaalsContact O-N 3.13Å; I191-I195 HydrophobicContact CG2-CD1 4.5Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 2.78Å
192F97.7Very high97Very high0 Ų056.9 Ų56.90%026%0.263CS..Hα-helixtrans-65.9-35.6176-151.1-77.8000112.3A24 V27 W33 V108 V151 L152 C188 F189 W190 I195 L196A24-F192 HydrophobicContact CB-CE2 4.46Å; V27-F192 HydrophobicContact CG2-CD2 3.72Å; W33-F192 HydrophobicContact CH2-CB 4.24Å; W33-F192 AromaticContact CH2-CD2 3.65Å; W33-F192 HydrophobicContact CH2-CD2 3.65Å; W33-F192 HydrophobicContact CH2-CE2 4.16Å; W33-F192 AromaticContact CH2-CG 3.93Å; W33-F192 HydrophobicContact CH2-CG 3.93Å; W33-F192 HydrophobicContact CZ2-CD2 4.01Å; V108-F192 HydrophobicContact CB-CZ 4.47Å; V108-F192 HydrophobicContact CG1-CZ 4.43Å; V108-F192 HydrophobicContact CG2-CZ 4.2Å; V151-F192 HydrophobicContact CB-CD1 4.37Å; V151-F192 HydrophobicContact CB-CE1 3.57Å; V151-F192 HydrophobicContact CB-CZ 3.86Å; V151-F192 HydrophobicContact CG1-CD1 3.94Å; V151-F192 HydrophobicContact CG1-CE1 3.46Å; V151-F192 VanDerWaalsContact CG1-CE1 3.46Å; V151-F192 HydrophobicContact CG1-CE2 4.16Å; V151-F192 HydrophobicContact CG1-CG 4.48Å; V151-F192 HydrophobicContact CG1-CZ 3.59Å; V151-F192 HydrophobicContact CG2-CE1 4.11Å; V151-F192 HydrophobicContact CG2-CZ 3.93Å; L152-F192 HydrophobicContact CD2-CB 4.16Å; L152-F192 HydrophobicContact CD2-CD1 4.01Å; L152-F192 HydrophobicContact CD2-CG 4.5Å; L152-F192 HydrophobicContact CG-CD1 4.02Å; C188-F192 WeakPolarHBondContact O-CB 3.11Å; C188-F192 PolarHBondContact O-N 3.48Å; F189-F192 WeakPolarHBondContact O-CB 3.34Å; F189-F192 PolarHBondContact O-N 3.47Å; W190-F192 VanDerWaalsContact C-N 3.31Å; F192-I195 HydrophobicContact CD2-CD1 4.43Å; F192-I195 WeakPolarHBondContact O-CB 3.22Å; F192-I195 PolarHBondContact O-N 3.23Å; F192-L196 PolarHBondContact O-N 3.43Å
193F98.2Very high97Very high87 Ų8756.8 Ų56.838%0.38226%0.258SS..Hα-helixtrans-63.5-38.8169.4-178.6-106000112.6L152 F189 W190 I191 I195 L196 I197L152-F193 HydrophobicContact CD1-CB 4.28Å; L152-F193 HydrophobicContact CD1-CD2 4Å; L152-F193 HydrophobicContact CD2-CB 4.44Å; F189-F193 PolarHBondContact O-N 3.44Å; W190-F193 HydrophobicContact CE3-CD1 4.28Å; W190-F193 HydrophobicContact CZ3-CD1 4.43Å; W190-F193 WeakPolarHBondContact O-CB 3.35Å; W190-F193 PolarHBondContact O-N 3.07Å; I191-F193 VanDerWaalsContact C-N 3.32Å; I191-F193 PolarHBondContact O-N 2.73Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.01Å; F193-L196 HydrophobicContact CD2-CD2 4.4Å; F193-L196 HydrophobicContact CE2-CD2 4.47Å; F193-L196 WeakPolarHBondContact O-CB 3Å; F193-L196 PolarHBondContact O-N 2.04Å; F193-I197 HydrophobicContact CD1-CD1 3.96Å; F193-I197 HydrophobicContact CE1-CD1 3.54Å; F193-I197 HydrophobicContact CE1-CG1 4.36Å; F193-I197 HydrophobicContact CZ-CD1 4.06Å; F193-I197 PolarHBondContact O-N 3.04Å
194L98.1Very high96.9Very high89 Ų8959 Ų5947%0.46628%0.275SS..Hα-helixtrans-61.9-39.7172.3-179.565.6000111.6W190 I191 L196 I197 L198W190-L194 PolarHBondContact O-N 3.16Å; I191-L194 WeakPolarHBondContact O-CB 3.07Å; I191-L194 PolarHBondContact O-N 3.09Å; I191-L194 VanDerWaalsContact O-N 3.13Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 3.29Å; L194-I197 WeakPolarHBondContact O-CB 3.44Å; L194-I197 PolarHBondContact O-N 2.8Å; L194-I197 VanDerWaalsContact O-N 3.11Å; L194-L198 HydrophobicContact CD1-CG 4.43Å; L194-L198 HydrophobicContact CG-CD1 4.27Å; L194-L198 HydrophobicContact CG-CG 4.33Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 3.35Å
195I98Very high96.6Very high2 Ų250.9 Ų50.91%0.0125%0.246CC..Hα-helixtrans-57.7-43.5175.4-68.2169.5000111.1C20 A24 V108 I191 F192 F193 I197 L198 H199C20-I195 HydrophobicContact CB-CG2 3.97Å; A24-I195 HydrophobicContact CB-CD1 3.88Å; V108-I195 HydrophobicContact CG1-CG2 4.33Å; I191-I195 HydrophobicContact CG2-CD1 4.5Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 2.78Å; F192-I195 HydrophobicContact CD2-CD1 4.43Å; F192-I195 WeakPolarHBondContact O-CB 3.22Å; F192-I195 PolarHBondContact O-N 3.23Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.01Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 3.5Å; I195-H199 WeakPolarHBondContact CG2-NE2 3.46Å; I195-H199 PolarHBondContact O-CD2 3.25Å; I195-H199 PolarHBondContact O-N 3.3Å
196L97.9Very high96.3Very high31 Ų3148.3 Ų48.316%0.16224%0.236CC..Hα-helixtrans-56.9-47.1173.8173.566.7000111.7C145 C149 L152 F192 F193 L194 L198 H199 G200C145-L196 VanDerWaalsContact O-CD1 3.26Å; C145-L196 WeakPolarHBondContact O-CD1 3.37Å; C149-L196 HydrophobicContact CB-CD1 4.03Å; C149-L196 HydrophobicContact CB-CD2 4.48Å; L152-L196 HydrophobicContact CD1-CB 4.31Å; L152-L196 HydrophobicContact CD1-CD2 3.91Å; F192-L196 PolarHBondContact O-N 3.43Å; F193-L196 HydrophobicContact CD2-CD2 4.4Å; F193-L196 HydrophobicContact CE2-CD2 4.47Å; F193-L196 WeakPolarHBondContact O-CB 3Å; F193-L196 PolarHBondContact O-N 2.04Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 3.29Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.15Å; L196-H199 PolarHBondContact O-N 3.41Å; L196-G200 PolarHBondContact O-N 3.18Å
197I98.1Very high96Very high86 Ų8655.5 Ų55.544%0.44126%0.261SS..Hα-helixtrans-62.5-42.8178.5-65172.1000111F193 L194 I195 G200 L201F193-I197 HydrophobicContact CD1-CD1 3.96Å; F193-I197 HydrophobicContact CE1-CD1 3.54Å; F193-I197 HydrophobicContact CE1-CG1 4.36Å; F193-I197 HydrophobicContact CZ-CD1 4.06Å; F193-I197 PolarHBondContact O-N 3.04Å; L194-I197 WeakPolarHBondContact O-CB 3.44Å; L194-I197 PolarHBondContact O-N 2.8Å; L194-I197 VanDerWaalsContact O-N 3.11Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.88Å; I197-G200 CarbonylContact O-C 3.54Å; I197-G200 WeakPolarHBondContact O-CA 3.41Å; I197-G200 PolarHBondContact O-N 2.65Å; I197-G200 VanDerWaalsContact O-N 3.13Å; I197-L201 PolarHBondContact O-N 3.23Å
198L97.7Very high95.6Very high36 Ų3649.7 Ų49.719%0.18824%0.243CC..Hα-helixtrans-65.3-38.2179.6-70-179.3000112.3L16 C20 L194 I195 L196 G200 L201 N202L16-L198 HydrophobicContact CD2-CD2 4.07Å; C20-L198 WeakPolarHBondContact SG-CB 3.43Å; L194-L198 HydrophobicContact CD1-CG 4.43Å; L194-L198 HydrophobicContact CG-CD1 4.27Å; L194-L198 HydrophobicContact CG-CG 4.33Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 3.35Å; I195-L198 PolarHBondContact O-N 3.5Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.15Å; L198-G200 VanDerWaalsContact C-N 3.33Å; L198-L201 PolarHBondContact O-N 3.24Å; L198-N202 PolarHBondContact O-N 3.04Å
199H96.9Very high94.9Very high1 Ų150 Ų501%0.00525%0.245CC..Hα-helixtrans-63.5-39.9170.4-71.2-51.3000112S112 T141 C145 I195 L196 L201 N202 L203S112-H199 PolarHBondContact OG-CE1 2.95Å; S112-H199 PolarHBondContact OG-NE2 3.29Å; T141-H199 HydrophobicContact CG2-CB 4.46Å; T141-H199 WeakPolarHBondContact CG2-O 3.43Å; C145-H199 HydrophobicContact CB-CB 4.11Å; I195-H199 WeakPolarHBondContact CG2-NE2 3.46Å; I195-H199 PolarHBondContact O-CD2 3.25Å; I195-H199 PolarHBondContact O-N 3.3Å; L196-H199 PolarHBondContact O-N 3.41Å; H199-L201 VanDerWaalsContact C-N 3.34Å; H199-L201 PolarHBondContact O-N 2.98Å; H199-N202 PolarHBondContact O-N 2.81Å; H199-L203 PolarHBondContact O-N 3.04Å
200G95.1Very high94Very high26 Ų2652.3 Ų52.327%0.26827%0.274SS..Hα-helixtrans-59.2-43171.300000112.8L196 I197 L198 N202 L203 V204L196-G200 PolarHBondContact O-N 3.18Å; I197-G200 CarbonylContact O-C 3.54Å; I197-G200 WeakPolarHBondContact O-CA 3.41Å; I197-G200 PolarHBondContact O-N 2.65Å; I197-G200 VanDerWaalsContact O-N 3.13Å; L198-G200 VanDerWaalsContact C-N 3.33Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 2.87Å; G200-L203 WeakPolarHBondContact O-CB 3.23Å; G200-L203 PolarHBondContact O-N 2.88Å; G200-V204 PolarHBondContact O-N 3.41Å
201L96.1Very high93.1Very high79 Ų7949.6 Ų49.641%0.41427%0.269SS..Hα-helixtrans-64.5-38.1176.4-173.9135.1000111.9L16 I197 L198 H199 L203 V204 L205L16-L201 HydrophobicContact CD1-CD2 3.32Å; I197-L201 PolarHBondContact O-N 3.23Å; L198-L201 PolarHBondContact O-N 3.24Å; H199-L201 VanDerWaalsContact C-N 3.34Å; H199-L201 PolarHBondContact O-N 2.98Å; L201-L203 VanDerWaalsContact C-N 3.28Å; L201-L203 PolarHBondContact O-N 3.41Å; L201-V204 WeakPolarHBondContact O-CA 3.24Å; L201-V204 WeakPolarHBondContact O-CB 3.46Å; L201-V204 PolarHBondContact O-N 3.29Å; L201-L205 HydrophobicContact CD2-CD1 3.7Å; L201-L205 HydrophobicContact CD2-CG 3.97Å; L201-L205 WeakPolarHBondContact O-CG 3.39Å; L201-L205 PolarHBondContact O-N 2.95Å
202N95.4Very high91.5Very high0 Ų054.3 Ų54.30%029%0.29CS..Hα-helixtrans-60.8-35.1173.5-81.3-11.3000112.7A13 L16 S17 F119 T141 L198 H199 G200 V204 L205 I206A13-N202 WeakPolarHBondContact CA-OD1 3.05Å; A13-N202 PolarHBondContact O-ND2 2.82Å; L16-N202 WeakPolarHBondContact CD1-OD1 3.47Å; S17-N202 PolarHBondContact OG-ND2 3.04Å; F119-N202 HydrophobicContact CZ-CB 4.34Å; T141-N202 HydrophobicContact CG2-CB 3.77Å; L198-N202 PolarHBondContact O-N 3.04Å; H199-N202 PolarHBondContact O-N 2.81Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 2.87Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.47Å; N202-L205 PolarHBondContact O-N 3.48Å; N202-I206 VanDerWaalsContact O-CG1 3.24Å; N202-I206 WeakPolarHBondContact O-CG1 3.36Å; N202-I206 PolarHBondContact O-N 2.73Å
203L94.1Very high90Very high37 Ų3758.2 Ų58.219%0.19431%0.307CS..Hα-helixtrans-62-39.7172.7-62.7171.5000111.9Y138 T141 H199 G200 L201 I206 R207Y138-L203 HydrophobicContact CD1-CD2 3.88Å; T141-L203 HydrophobicContact CG2-CD2 3.63Å; T141-L203 HydrophobicContact CG2-CG 3.76Å; H199-L203 PolarHBondContact O-N 3.04Å; G200-L203 WeakPolarHBondContact O-CB 3.23Å; G200-L203 PolarHBondContact O-N 2.88Å; L201-L203 VanDerWaalsContact C-N 3.28Å; L201-L203 PolarHBondContact O-N 3.41Å; L203-I206 PolarHBondContact O-N 3.1Å; L203-R207 PolarHBondContact O-N 3.35Å; L203-R207 VanDerWaalsContact O-N 3.13Å
204V93.1Very high88.1Confident85 Ų8559.4 Ų59.452%0.51532%0.323SS..Hα-helixtrans-66.3-43.8174.8-179.40000110.5G200 L201 N202 I206 R207 L208G200-V204 PolarHBondContact O-N 3.41Å; L201-V204 WeakPolarHBondContact O-CA 3.24Å; L201-V204 WeakPolarHBondContact O-CB 3.46Å; L201-V204 PolarHBondContact O-N 3.29Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.47Å; V204-I206 VanDerWaalsContact C-N 3.34Å; V204-I206 PolarHBondContact O-N 3.11Å; V204-R207 WeakPolarHBondContact O-CA 3.2Å; V204-R207 WeakPolarHBondContact O-CB 3.34Å; V204-R207 PolarHBondContact O-N 3.11Å; V204-L208 HydrophobicContact CG1-CD1 4.38Å; V204-L208 HydrophobicContact CG1-CG 4.41Å; V204-L208 WeakPolarHBondContact O-CG 2.96Å; V204-L208 PolarHBondContact O-N 2.85Å
205L92.1Very high86.3Confident23 Ų2364 Ų6412%0.1234%0.34CS..Hα-helixtrans-60.3-42.8176.8-67.2179.6000111.8L9 A13 L16 L201 N202 R207 L208 T209L9-L205 HydrophobicContact CD2-CD2 3.97Å; A13-L205 HydrophobicContact CB-CB 4.39Å; A13-L205 HydrophobicContact CB-CD1 3.97Å; L16-L205 HydrophobicContact CD1-CD1 3.9Å; L201-L205 HydrophobicContact CD2-CD1 3.7Å; L201-L205 HydrophobicContact CD2-CG 3.97Å; L201-L205 WeakPolarHBondContact O-CG 3.39Å; L201-L205 PolarHBondContact O-N 2.95Å; N202-L205 PolarHBondContact O-N 3.48Å; L205-R207 VanDerWaalsContact C-N 3.28Å; L205-R207 PolarHBondContact O-N 2.96Å; L205-L208 HydrophobicContact CD2-CD1 4.45Å; L205-L208 PolarHBondContact O-N 3.28Å; L205-L208 VanDerWaalsContact O-N 3.15Å; L205-T209 WeakPolarHBondContact O-CG2 3.09Å; L205-T209 PolarHBondContact O-N 3.12Å; L205-T209 VanDerWaalsContact O-N 3.07Å
206I90.6Very high84.1Confident3 Ų368.6 Ų68.62%0.01536%0.361CS..Hα-helixtrans-58.7-42.9174.1-60.5158.4000110F119 L137 Y138 N202 L203 V204 L208 T209F119-I206 HydrophobicContact CE1-CD1 4.08Å; F119-I206 HydrophobicContact CE1-CG1 3.69Å; F119-I206 HydrophobicContact CZ-CD1 3.87Å; F119-I206 HydrophobicContact CZ-CG1 3.94Å; L137-I206 HydrophobicContact CB-CD1 3.81Å; L137-I206 HydrophobicContact CB-CG1 4.16Å; L137-I206 HydrophobicContact CB-CG2 4.43Å; L137-I206 WeakPolarHBondContact O-CD1 3.05Å; Y138-I206 HydrophobicContact CD1-CB 4.46Å; Y138-I206 HydrophobicContact CD1-CD1 4.25Å; Y138-I206 HydrophobicContact CD1-CG2 4.27Å; Y138-I206 HydrophobicContact CD2-CG2 3.94Å; Y138-I206 HydrophobicContact CE1-CB 3.88Å; Y138-I206 HydrophobicContact CE1-CD1 4.47Å; Y138-I206 HydrophobicContact CE1-CG2 3.8Å; Y138-I206 HydrophobicContact CE2-CB 4.39Å; Y138-I206 HydrophobicContact CE2-CG2 3.4Å; Y138-I206 VanDerWaalsContact CE2-CG2 3.4Å; Y138-I206 HydrophobicContact CG-CG2 4.32Å; Y138-I206 WeakPolarHBondContact OH-CG2 3.42Å; N202-I206 VanDerWaalsContact O-CG1 3.24Å; N202-I206 WeakPolarHBondContact O-CG1 3.36Å; N202-I206 PolarHBondContact O-N 2.73Å; L203-I206 PolarHBondContact O-N 3.1Å; V204-I206 VanDerWaalsContact C-N 3.34Å; V204-I206 PolarHBondContact O-N 3.11Å; I206-L208 PolarHBondContact O-N 2.79Å; I206-T209 PolarHBondContact O-N 3.38Å; I206-T209 PolarHBondContact O-OG1 2.64Å
207R89.4Confident81.5Confident172 Ų17270.1 Ų70.165%0.64939%0.385SS*.Hα-helixtrans-59.9-44.1175.5-77.6-70.4-177.3-164.610112.3Y138 L203 V204 L205 T209 G210Y138-R207 HydrophobicContact CE1-CG 4.14Å; Y138-R207 WeakPolarHBondContact OH-CA 3.29Å; Y138-R207 WeakPolarHBondContact OH-CD 2.8Å; Y138-R207 WeakPolarHBondContact OH-CG 3.46Å; Y138-R207 PolarHBondContact OH-N 3.17Å; Y138-R207 VanDerWaalsContact OH-N 3.09Å; Y138-R207 PolarHBondContact OH-NE 3.27Å; L203-R207 PolarHBondContact O-N 3.35Å; L203-R207 VanDerWaalsContact O-N 3.13Å; V204-R207 WeakPolarHBondContact O-CA 3.2Å; V204-R207 WeakPolarHBondContact O-CB 3.34Å; V204-R207 PolarHBondContact O-N 3.11Å; L205-R207 VanDerWaalsContact C-N 3.28Å; L205-R207 PolarHBondContact O-N 2.96Å; R207-T209 VanDerWaalsContact C-N 3.25Å; R207-T209 PolarHBondContact O-N 2.8Å; R207-G210 PolarHBondContact O-N 3.38Å; R207-G210 VanDerWaalsContact O-N 3.08Å
208L87.7Confident78.7Confident52 Ų5275.3 Ų75.327%0.27240%0.404SS..Hα-helixtrans-64.9-27.1179.4-65.6-179.4000113L9 V204 L205 I206 G210 I211 F213L9-L208 HydrophobicContact CD1-CB 4.19Å; V204-L208 HydrophobicContact CG1-CD1 4.38Å; V204-L208 HydrophobicContact CG1-CG 4.41Å; V204-L208 WeakPolarHBondContact O-CG 2.96Å; V204-L208 PolarHBondContact O-N 2.85Å; L205-L208 HydrophobicContact CD2-CD1 4.45Å; L205-L208 PolarHBondContact O-N 3.28Å; L205-L208 VanDerWaalsContact O-N 3.15Å; I206-L208 PolarHBondContact O-N 2.79Å; L208-G210 PolarHBondContact O-N 3.1Å; L208-I211 HydrophobicContact CD2-CD1 4.24Å; L208-I211 PolarHBondContact O-N 3.04Å; L208-I211 VanDerWaalsContact O-N 3.16Å; L208-F213 HydrophobicContact CD2-CZ 4.07Å
209T84.4Confident76.4Confident10 Ų1082.7 Ų82.76%0.06143%0.434CS..Hα-helixtrans-66.7-23.1174.167.90000113.4K6 L9 F10 L205 I206 R207 I211K6-T209 VanDerWaalsContact CE-O 3.24Å; K6-T209 WeakPolarHBondContact CE-O 3.24Å; L9-T209 HydrophobicContact CB-CG2 3.65Å; L9-T209 HydrophobicContact CD1-CG2 3.83Å; L9-T209 HydrophobicContact CG-CG2 4.4Å; F10-T209 HydrophobicContact CD1-CG2 4.03Å; F10-T209 HydrophobicContact CE1-CG2 3.69Å; F10-T209 HydrophobicContact CE2-CG2 4.23Å; F10-T209 HydrophobicContact CG-CG2 4.46Å; F10-T209 HydrophobicContact CZ-CG2 3.79Å; L205-T209 WeakPolarHBondContact O-CG2 3.09Å; L205-T209 PolarHBondContact O-N 3.12Å; L205-T209 VanDerWaalsContact O-N 3.07Å; I206-T209 PolarHBondContact O-N 3.38Å; I206-T209 PolarHBondContact O-OG1 2.64Å; R207-T209 VanDerWaalsContact C-N 3.25Å; R207-T209 PolarHBondContact O-N 2.8Å; T209-I211 VanDerWaalsContact C-N 3.34Å
210G77.1Confident74Confident67 Ų6789.9 Ų89.969%0.69147%0.473SS*.THydrogen-bonded Turntrans-79.3-16.3174.700000113.8R207 L208R207-G210 PolarHBondContact O-N 3.38Å; R207-G210 VanDerWaalsContact O-N 3.08Å; L208-G210 PolarHBondContact O-N 3.1Å
211I78.6Confident71.8Confident89 Ų8993.6 Ų93.646%0.45649%0.491SS..SBendtrans-99.1127.4-177-58.8171.6000109.2Q5 L208 T209Q5-I211 PolarHBondContact NE2-O 3.22Å; Q5-I211 VanDerWaalsContact NE2-O 3.09Å; L208-I211 HydrophobicContact CD2-CD1 4.24Å; L208-I211 PolarHBondContact O-N 3.04Å; L208-I211 VanDerWaalsContact O-N 3.16Å; T209-I211 VanDerWaalsContact C-N 3.34Å
212Q65.9Low69.2Low165 Ų16598.3 Ų98.377%0.77151%0.51SS*.PPolyproline II helixtrans-85.7117.6169-66.1-168.2-4.400108.9
213F66.2Low66.9Low83 Ų83106.7 Ų106.736%0.36455%0.554SS.*PPolyproline II helixtrans-76.4134.8176-72.1-64.6000110.1Q5 L208 F215Q5-F213 HydrophobicContact CG-CD2 4.36Å; L208-F213 HydrophobicContact CD2-CZ 4.07Å; F213-F215 HydrophobicContact CB-CD2 4.31Å; F213-F215 PolarHBondContact O-N 3.24Å
214P58.2Low64.3Low111 Ų111111.2 Ų111.272%0.72159%0.589SS**THydrogen-bonded Turntrans-69-4.6-177.628.1-34.9000113.9
215F58.9Low62Low186 Ų186111.2 Ų111.282%0.81661%0.606SS**THydrogen-bonded Turntrans-84.1-7.9-175.1-58.7-72000114.6F213 G217F213-F215 HydrophobicContact CB-CD2 4.31Å; F213-F215 PolarHBondContact O-N 3.24Å; F215-G217 PolarHBondContact O-N 3.39Å
216Q53.6Low59.8Low98 Ų98113.9 Ų113.946%0.45864%0.639SS.*SBendtrans-82.292.5164.9-82.7-175.3-54.300108.2N3N3-Q216 PolarHBondContact ND2-OE1 3.34Å; N3-Q216 PolarHBondContact OD1-NE2 2.99Å; N3-Q216 PolarHBondContact OD1-OE1 2.95Å
217G42.5Very low57.6Low64 Ų64118.7 Ų118.766%0.6668%0.679SS**  trans-49.5148.4179.500000112.9F215 K219F215-G217 PolarHBondContact O-N 3.39Å; G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 3.06Å
218K40.1Very low55.5Low194 Ų194115.5 Ų115.584%0.84369%0.69SS**  trans-50.693.5164.2-70176.6175.21790109.7
219K48.9Very low53.8Low191 Ų191119.9 Ų119.983%0.8371%0.713SS**  trans-109.396.5142.4-87.3-179.8168179.10101.8G217G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 3.06Å
220D45.6Very low52.2Low152 Ų152126.1 Ų126.181%0.81375%0.746SS**  -152.7111.560.1-55.4-51.9000110.2
221V49Very low50.4Low105 Ų105131 Ų13164%0.63675%0.752SS**  trans-143.2124159179.80000105.5
222E42.5Very low48.7Very low178 Ų178141.1 Ų141.183%0.83279%0.787SS**  trans77.1108.3-177.3-63.6166.8-17000114.1
223L45.9Very low47.9Very low176 Ų176139.9 Ų139.992%0.92179%0.788SS**SBend-158.3115.257.7-80.3125.5000111.3
224S39.9Very low46.9Very low131 Ų131142.9 Ų142.992%0.91681%0.81SS**SBendtrans-178.650.7142.6-175.70000110.4
225G44.9Very low46.3Very low85 Ų85144.7 Ų144.788%0.87682%0.815SS**SBendtrans-139.740.3-179.700000112.6
226G46.2Very low45.6Very low80 Ų80142.2 Ų142.283%0.82582%0.815SS**SBendtrans-160.635.6-172.500000115.7
227A44.6Very low45.1Very low103 Ų103145 Ų14585%0.85184%0.838SS**SBendtrans-149.253.417000000111.2
228A45.5Very low45.2Very low106 Ų106150.4 Ų150.488%0.87685%0.849SS**  trans-146.562.2164.300000108
229D51Low45.6Very low143 Ų143147.3 Ų147.377%0.76585%0.85SS**  trans-120.1137.3158.9-153.65.1000106.8
230L50.9Low45.3Very low142 Ų142143.9 Ų143.974%0.74385%0.851SS**  trans66.5109.9175.3-60.4111.9000118.5
231M40.3Very low45.3Very low168 Ų168143.3 Ų143.383%0.82886%0.855SS**  170.3118.8109.2-82.8-89.6-97.800110.4
232Y43.1Very low45Very low302 Ų302146.7 Ų146.7100%1.18487%0.874SS**  trans51.40160-87.4-89.8000120.2

Retrieved 232 of 232 residues in 301.7 ms (Link to these results)

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