A0A087YC57_POEFO Loading...

Calcineurin B homologous protein 3

AlphaFold DB , UniProt , Accession A0A087YC57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 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
1M37.7Very low45.7Very low254 Ų254114.5 Ų114.5100%1.25162%0.617SS**  090.70-70-169.6-82.500108.2
2G34.8Very low47.7Very low52 Ų52107.9 Ų107.954%0.53658%0.577SS.*  trans-1689.2-174.800000116.3
3A33.4Very low49.3Very low81 Ų81109.2 Ų109.267%0.66958%0.577SS**Hα-helixtrans-95.8-15.2-174.100000114.2T6A3-T6 PolarHBondContact O-OG1 3.46Å
4T39Very low51Low123 Ų123109.1 Ų109.176%0.75558%0.578SS**Hα-helixtrans-86.1-27-179.228.80000113.6S8T4-S8 PolarHBondContact O-OG 3.4Å
5Q39.3Very low52.8Low141 Ų141103 Ų10366%0.65955%0.545SS*.Hα-helixtrans-72.4-39.9179.5-79.6175.9-4.700112.5S8 E9Q5-S8 PolarHBondContact O-N 2.97Å; Q5-S8 PolarHBondContact O-OG 3.38Å; Q5-E9 PolarHBondContact O-N 3.25Å; Q5-E9 VanDerWaalsContact O-N 3.1Å
6T41.2Very low54.4Low72 Ų7299.5 Ų99.544%0.44253%0.528SS..Hα-helixtrans-66.8-41.2-177.351.60000112.3A3 S8 E9 Y10A3-T6 PolarHBondContact O-OG1 3.46Å; T6-S8 VanDerWaalsContact C-N 3.34Å; T6-S8 PolarHBondContact O-N 3.28Å; T6-E9 PolarHBondContact O-N 3.08Å; T6-Y10 VanDerWaalsContact O-CD2 3.29Å; T6-Y10 WeakPolarHBondContact O-CD2 3.17Å; T6-Y10 PolarHBondContact O-N 3.04Å
7H45.9Very low55.5Low128 Ų12897.8 Ų97.859%0.59354%0.54SS*.Hα-helixtrans-69-31.9179.9-157.3-48.3000112.8Q11H7-Q11 WeakPolarHBondContact O-CG 3.48Å; H7-Q11 PolarHBondContact O-N 3.07Å
8S54.9Low56.5Low39 Ų3998.1 Ų98.127%0.27354%0.535SS..Hα-helixtrans-73-38.5174.652.90000112.6T4 Q5 T6 Q11 Y12T4-S8 PolarHBondContact O-OG 3.4Å; Q5-S8 PolarHBondContact O-N 2.97Å; Q5-S8 PolarHBondContact O-OG 3.38Å; T6-S8 VanDerWaalsContact C-N 3.34Å; T6-S8 PolarHBondContact O-N 3.28Å; S8-Q11 PolarHBondContact O-N 3.13Å; S8-Y12 WeakPolarHBondContact O-CD2 3.43Å; S8-Y12 WeakPolarHBondContact O-CE2 3.1Å; S8-Y12 PolarHBondContact O-N 3.14Å; S8-Y12 VanDerWaalsContact O-N 3.08Å
9E53.8Low57.6Low111 Ų11193.1 Ų93.152%0.51951%0.507SS..Hα-helixtrans-65.2-43.5179-78.9175.6158.100112.3Q5 T6 Q11 Y12 E13Q5-E9 PolarHBondContact O-N 3.25Å; Q5-E9 VanDerWaalsContact O-N 3.1Å; T6-E9 PolarHBondContact O-N 3.08Å; E9-Q11 VanDerWaalsContact C-N 3.31Å; E9-Q11 PolarHBondContact O-N 3.29Å; E9-Y12 PolarHBondContact O-N 3.13Å; E9-E13 PolarHBondContact O-N 3.13Å
10Y58.1Low58.6Low158 Ų15891 Ų9162%0.6251%0.508SS*.Hα-helixtrans-64.9-31.4175.1-85.6-73.2000113.7T6 N14T6-Y10 VanDerWaalsContact O-CD2 3.29Å; T6-Y10 WeakPolarHBondContact O-CD2 3.17Å; T6-Y10 PolarHBondContact O-N 3.04Å; Y10-N14 PolarHBondContact O-N 3.41Å; Y10-N14 PolarHBondContact O-ND2 2.81Å
11Q64.2Low59.7Low100 Ų10086.8 Ų86.847%0.46749%0.485SS..Hα-helixtrans-68.3-42.8173.4-82.8-177-12.900111.1H7 S8 E9 N14 M15H7-Q11 WeakPolarHBondContact O-CG 3.48Å; H7-Q11 PolarHBondContact O-N 3.07Å; S8-Q11 PolarHBondContact O-N 3.13Å; E9-Q11 VanDerWaalsContact C-N 3.31Å; E9-Q11 PolarHBondContact O-N 3.29Å; Q11-N14 PolarHBondContact O-N 3.44Å; Q11-M15 HydrophobicContact CB-CE 4.49Å; Q11-M15 WeakPolarHBondContact O-CG 3.34Å; Q11-M15 PolarHBondContact O-N 3.4Å; Q11-M15 VanDerWaalsContact O-N 3.1Å
12Y70.5Confident61.9Low36 Ų3676.9 Ų76.914%0.14144%0.441CS..Hα-helixtrans-66.4-39.7178-63.6-49.8000112.5S8 E9 N14 M15 V16 I26 H30 F86S8-Y12 WeakPolarHBondContact O-CD2 3.43Å; S8-Y12 WeakPolarHBondContact O-CE2 3.1Å; S8-Y12 PolarHBondContact O-N 3.14Å; S8-Y12 VanDerWaalsContact O-N 3.08Å; E9-Y12 PolarHBondContact O-N 3.13Å; Y12-N14 PolarHBondContact O-N 2.78Å; Y12-M15 HydrophobicContact CD1-SD 4.28Å; Y12-M15 WeakPolarHBondContact O-CB 3.18Å; Y12-M15 PolarHBondContact O-N 3.35Å; Y12-M15 VanDerWaalsContact O-N 3.16Å; Y12-V16 WeakPolarHBondContact O-CG2 3.49Å; Y12-V16 PolarHBondContact O-N 3.44Å; Y12-I26 HydrophobicContact CD1-CB 4.48Å; Y12-I26 HydrophobicContact CD1-CG2 3.36Å; Y12-I26 HydrophobicContact CE1-CG2 3.83Å; Y12-I26 HydrophobicContact CG-CG2 4.32Å; Y12-H30 HydrophobicContact CE1-CB 4.49Å; Y12-H30 AromaticContact CE1-ND1 3.99Å; Y12-F86 HydrophobicContact CD1-CE1 4.44Å; Y12-F86 AromaticContact CE1-CE1 3.95Å; Y12-F86 HydrophobicContact CE1-CE1 3.95Å
13E68.3Low64.2Low124 Ų12477.3 Ų77.358%0.57943%0.433SS*.Hα-helixtrans-62.6-41.3176.7-75.4-176.3170.300112.9E9 M15 V16 G17E9-E13 PolarHBondContact O-N 3.13Å; E13-M15 VanDerWaalsContact C-N 3.3Å; E13-M15 PolarHBondContact O-N 3.36Å; E13-V16 PolarHBondContact O-N 3.37Å; E13-G17 PolarHBondContact O-N 3.34Å
14N73.3Confident66.5Low109 Ų10978.1 Ų78.158%0.58342%0.423SS*.Hα-helixtrans-64.5-36.1173.7-80.1-56.2000112Y10 Q11 Y12 G17 K18Y10-N14 PolarHBondContact O-N 3.41Å; Y10-N14 PolarHBondContact O-ND2 2.81Å; Q11-N14 PolarHBondContact O-N 3.44Å; Y12-N14 PolarHBondContact O-N 2.78Å; N14-G17 PolarHBondContact O-N 3.13Å; N14-K18 PolarHBondContact O-N 3.44Å
15M76.9Confident68.5Low17 Ų1774 Ų748%0.08440%0.395CS..Hα-helixtrans-69.4-34.7176.7-69.6168.3-17700112.2Q11 Y12 E13 G17 K18 T19 I26 F86 E87 L90Q11-M15 HydrophobicContact CB-CE 4.49Å; Q11-M15 WeakPolarHBondContact O-CG 3.34Å; Q11-M15 PolarHBondContact O-N 3.4Å; Q11-M15 VanDerWaalsContact O-N 3.1Å; Y12-M15 HydrophobicContact CD1-SD 4.28Å; Y12-M15 WeakPolarHBondContact O-CB 3.18Å; Y12-M15 PolarHBondContact O-N 3.35Å; Y12-M15 VanDerWaalsContact O-N 3.16Å; E13-M15 VanDerWaalsContact C-N 3.3Å; E13-M15 PolarHBondContact O-N 3.36Å; M15-G17 VanDerWaalsContact C-N 3.32Å; M15-G17 PolarHBondContact O-N 3.05Å; M15-K18 PolarHBondContact O-N 3.4Å; M15-T19 WeakPolarHBondContact O-CB 3.31Å; M15-T19 WeakPolarHBondContact O-CG2 3.39Å; M15-T19 PolarHBondContact O-N 3.21Å; M15-T19 PolarHBondContact O-OG1 3.17Å; M15-I26 HydrophobicContact CB-CD1 3.92Å; M15-I26 HydrophobicContact SD-CG2 4.48Å; M15-F86 HydrophobicContact CE-CD1 3.9Å; M15-F86 HydrophobicContact CE-CE1 4.35Å; M15-F86 HydrophobicContact SD-CD1 3.83Å; M15-F86 HydrophobicContact SD-CE1 3.65Å; M15-E87 HydrophobicContact CE-CB 4.27Å; M15-L90 HydrophobicContact CB-CD1 3.97Å; M15-L90 HydrophobicContact CG-CD1 3.92Å; M15-L90 HydrophobicContact SD-CD1 3.49Å; M15-L90 WeakPolarHBondContact SD-CD1 3.43Å
16V78.3Confident70.7Confident47 Ų4767.3 Ų67.329%0.28536%0.364SS..Hα-helixtrans-57.6-471731710000110.3Y12 E13 K18 G20 F21 I26Y12-V16 WeakPolarHBondContact O-CG2 3.49Å; Y12-V16 PolarHBondContact O-N 3.44Å; E13-V16 PolarHBondContact O-N 3.37Å; V16-K18 PolarHBondContact O-N 2.81Å; V16-G20 VanDerWaalsContact O-CA 3.26Å; V16-G20 WeakPolarHBondContact O-CA 3.37Å; V16-G20 PolarHBondContact O-N 3.37Å; V16-F21 WeakPolarHBondContact CG1-O 3.31Å; V16-F21 WeakPolarHBondContact CG2-O 3.28Å; V16-I26 HydrophobicContact CB-CD1 4.28Å; V16-I26 HydrophobicContact CG2-CD1 3.5Å; V16-I26 VanDerWaalsContact CG2-CD1 3.5Å
17G73.2Confident72.8Confident70 Ų7068.6 Ų68.672%0.72236%0.363SS*.Hα-helixtrans-62.1-39.1-179.500000113.7E13 N14 M15E13-G17 PolarHBondContact O-N 3.34Å; N14-G17 PolarHBondContact O-N 3.13Å; M15-G17 VanDerWaalsContact C-N 3.32Å; M15-G17 PolarHBondContact O-N 3.05Å
18K74.4Confident74.7Confident104 Ų10465.8 Ų65.845%0.45235%0.353SS..Hα-helixtrans-79.4-34.9-178.7-66.6-176-177.2-173.50113.4N14 M15 V16 L74 E87 M91N14-K18 PolarHBondContact O-N 3.44Å; M15-K18 PolarHBondContact O-N 3.4Å; V16-K18 PolarHBondContact O-N 2.81Å; K18-L74 HydrophobicContact CD-CD1 4.37Å; K18-E87 IonicContact NZ-OE1 3.72Å; K18-E87 PolarHBondContact NZ-OE1 3.16Å; K18-M91 HydrophobicContact CB-SD 4.29Å
19T76.4Confident76.2Confident2 Ų264.1 Ų64.11%0.01234%0.34CS..Hα-helixtrans-114.1-1-167.269.40000113.5M15 F21 L90 M91 R97M15-T19 WeakPolarHBondContact O-CB 3.31Å; M15-T19 WeakPolarHBondContact O-CG2 3.39Å; M15-T19 PolarHBondContact O-N 3.21Å; M15-T19 PolarHBondContact O-OG1 3.17Å; T19-F21 PolarHBondContact O-N 2.91Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.34Å; T19-L90 HydrophobicContact CG2-CB 4.09Å; T19-M91 HydrophobicContact CG2-CE 4.48Å; T19-M91 HydrophobicContact CG2-SD 3.61Å; T19-R97 VanDerWaalsContact O-CD 3.31Å; T19-R97 WeakPolarHBondContact O-CD 3.46Å; T19-R97 PolarHBondContact O-NE 2.73Å; T19-R97 PolarHBondContact O-NH1 3.49Å; T19-R97 PolarHBondContact O-NH2 2.98Å; T19-R97 VanDerWaalsContact O-NH2 3.17Å
20G77.4Confident77.8Confident51 Ų5160.8 Ų60.853%0.52633%0.325SS..  trans47.121.1-177.500000115.9V16V16-G20 VanDerWaalsContact O-CA 3.26Å; V16-G20 WeakPolarHBondContact O-CA 3.37Å; V16-G20 PolarHBondContact O-N 3.37Å
21F83.4Confident79.1Confident3 Ų358 Ų581%0.01332%0.319CS..  trans-82.3151170.1-75-61.8000109.8V16 T19 Q25 I26 L29 M93 R97 L206V16-F21 WeakPolarHBondContact CG1-O 3.31Å; V16-F21 WeakPolarHBondContact CG2-O 3.28Å; T19-F21 PolarHBondContact O-N 2.91Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.34Å; F21-Q25 HydrophobicContact CB-CB 4.1Å; F21-Q25 HydrophobicContact CD1-CB 4.03Å; F21-Q25 HydrophobicContact CG-CB 4.4Å; F21-I26 HydrophobicContact CB-CD1 4.11Å; F21-I26 HydrophobicContact CB-CG1 3.59Å; F21-L29 HydrophobicContact CD2-CD1 4.13Å; F21-L29 HydrophobicContact CE1-CD1 4.26Å; F21-L29 HydrophobicContact CE2-CD1 3.9Å; F21-L29 HydrophobicContact CG-CD1 4.45Å; F21-L29 HydrophobicContact CZ-CD1 3.97Å; F21-M93 HydrophobicContact CE2-CB 4.2Å; F21-M93 HydrophobicContact CZ-CB 4.19Å; F21-R97 HydrophobicContact CD1-CG 4Å; F21-R97 HydrophobicContact CE1-CG 3.27Å; F21-R97 HydrophobicContact CE2-CG 4.3Å; F21-R97 HydrophobicContact CZ-CG 3.45Å; F21-R97 VanDerWaalsContact CZ-CG 3.45Å; F21-L206 HydrophobicContact CE1-CD1 3.97Å; F21-L206 HydrophobicContact CE1-CD2 3.95Å; F21-L206 HydrophobicContact CE1-CG 4.4Å; F21-L206 HydrophobicContact CZ-CD1 4.14Å; F21-L206 HydrophobicContact CZ-CD2 4.34Å
22S83.4Confident80.2Confident47 Ų4758.7 Ų58.733%0.32932%0.317SS..  trans-70.9156.6167.577.20000110.9E24 Q25 I26S22-E24 PolarHBondContact O-N 3.13Å; S22-E24 VanDerWaalsContact O-N 3.17Å; S22-Q25 WeakPolarHBondContact O-CB 3.31Å; S22-Q25 PolarHBondContact O-N 3.28Å; S22-Q25 WeakPolarHBondContact OG-CG 3.3Å; S22-Q25 PolarHBondContact OG-N 2.83Å; S22-Q25 PolarHBondContact OG-OE1 2.99Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.18Å
23T82.5Confident81Confident60 Ų6057.2 Ų57.237%0.36831%0.311SS..Hα-helixtrans-56.9-32.7176.4-45.50000112.3K27T23-K27 VanDerWaalsContact O-CG 3.3Å; T23-K27 WeakPolarHBondContact O-CG 3.38Å; T23-K27 PolarHBondContact O-N 3.46Å
24E81.6Confident81.9Confident98 Ų9854.9 Ų54.946%0.45830%0.301SS..Hα-helixtrans-69-44.1175.1-68.7-172.5-170.500112.2S22 I26 K27 N28 T210S22-E24 PolarHBondContact O-N 3.13Å; S22-E24 VanDerWaalsContact O-N 3.17Å; E24-I26 VanDerWaalsContact C-N 3.31Å; E24-I26 PolarHBondContact O-N 2.98Å; E24-K27 PolarHBondContact O-N 3.5Å; E24-N28 PolarHBondContact O-N 3.36Å; E24-N28 PolarHBondContact O-ND2 3.32Å; E24-T210 PolarHBondContact OE2-OG1 3.19Å
25Q82.4Confident82.6Confident38 Ų3855.9 Ų55.918%0.17830%0.302CS..Hα-helixtrans-60.9-43175.4-73.7168.1-33.900110.9F21 S22 K27 N28 L29 L206F21-Q25 HydrophobicContact CB-CB 4.1Å; F21-Q25 HydrophobicContact CD1-CB 4.03Å; F21-Q25 HydrophobicContact CG-CB 4.4Å; S22-Q25 WeakPolarHBondContact O-CB 3.31Å; S22-Q25 PolarHBondContact O-N 3.28Å; S22-Q25 WeakPolarHBondContact OG-CG 3.3Å; S22-Q25 PolarHBondContact OG-N 2.83Å; S22-Q25 PolarHBondContact OG-OE1 2.99Å; Q25-K27 PolarHBondContact O-N 3.13Å; Q25-N28 PolarHBondContact O-N 3.22Å; Q25-L29 WeakPolarHBondContact O-CB 3.37Å; Q25-L29 WeakPolarHBondContact O-CG 3.47Å; Q25-L29 PolarHBondContact O-N 3.26Å; Q25-L206 PolarHBondContact NE2-O 3.41Å
26I85.4Confident83.1Confident0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-62.9-43.5177.5-64.8171.9000111Y12 M15 V16 F21 S22 E24 N28 L29 H30 F86 L90Y12-I26 HydrophobicContact CD1-CB 4.48Å; Y12-I26 HydrophobicContact CD1-CG2 3.36Å; Y12-I26 HydrophobicContact CE1-CG2 3.83Å; Y12-I26 HydrophobicContact CG-CG2 4.32Å; M15-I26 HydrophobicContact CB-CD1 3.92Å; M15-I26 HydrophobicContact SD-CG2 4.48Å; V16-I26 HydrophobicContact CB-CD1 4.28Å; V16-I26 HydrophobicContact CG2-CD1 3.5Å; V16-I26 VanDerWaalsContact CG2-CD1 3.5Å; F21-I26 HydrophobicContact CB-CD1 4.11Å; F21-I26 HydrophobicContact CB-CG1 3.59Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.18Å; E24-I26 VanDerWaalsContact C-N 3.31Å; E24-I26 PolarHBondContact O-N 2.98Å; I26-N28 VanDerWaalsContact C-N 3.34Å; I26-N28 PolarHBondContact O-N 3.2Å; I26-L29 PolarHBondContact O-N 2.8Å; I26-H30 WeakPolarHBondContact O-CB 3.49Å; I26-H30 PolarHBondContact O-N 3.42Å; I26-F86 HydrophobicContact CG2-CE1 3.9Å; I26-F86 HydrophobicContact CG2-CZ 3.85Å; I26-L90 HydrophobicContact CG2-CD1 3.97Å
27K84.4Confident83.6Confident99 Ų9954.4 Ų54.443%0.4329%0.292SS..Hα-helixtrans-60.7-42.5175.2-75.9172.8179.6177.50112.1T23 E24 Q25 H30 M31T23-K27 VanDerWaalsContact O-CG 3.3Å; T23-K27 WeakPolarHBondContact O-CG 3.38Å; T23-K27 PolarHBondContact O-N 3.46Å; E24-K27 PolarHBondContact O-N 3.5Å; Q25-K27 PolarHBondContact O-N 3.13Å; K27-H30 WeakPolarHBondContact O-CB 3.19Å; K27-H30 PolarHBondContact O-N 3.28Å; K27-M31 WeakPolarHBondContact O-CG 3.48Å; K27-M31 PolarHBondContact O-N 3.39Å
28N85.3Confident84.2Confident69 Ų6953.7 Ų53.737%0.36929%0.285SS..Hα-helixtrans-63.6-42.9176.5-71.4-22.2000111.9E24 Q25 I26 H30 M31 R32E24-N28 PolarHBondContact O-N 3.36Å; E24-N28 PolarHBondContact O-ND2 3.32Å; Q25-N28 PolarHBondContact O-N 3.22Å; I26-N28 VanDerWaalsContact C-N 3.34Å; I26-N28 PolarHBondContact O-N 3.2Å; N28-H30 VanDerWaalsContact C-N 3.32Å; N28-H30 PolarHBondContact O-N 3.01Å; N28-M31 HydrophobicContact CB-CE 4.49Å; N28-M31 PolarHBondContact O-N 2.99Å; N28-M31 WeakPolarHBondContact OD1-CE 2.91Å; N28-R32 PolarHBondContact O-N 3.49Å
29L87.1Confident84.7Confident3 Ų355 Ų552%0.01630%0.297CS..Hα-helixtrans-65.1-35.7174.7-72.7172000112F21 Q25 I26 R32 F33 F86 F89 L90 M93 F205 L206F21-L29 HydrophobicContact CD2-CD1 4.13Å; F21-L29 HydrophobicContact CE1-CD1 4.26Å; F21-L29 HydrophobicContact CE2-CD1 3.9Å; F21-L29 HydrophobicContact CG-CD1 4.45Å; F21-L29 HydrophobicContact CZ-CD1 3.97Å; Q25-L29 WeakPolarHBondContact O-CB 3.37Å; Q25-L29 WeakPolarHBondContact O-CG 3.47Å; Q25-L29 PolarHBondContact O-N 3.26Å; I26-L29 PolarHBondContact O-N 2.8Å; L29-R32 PolarHBondContact O-N 3.26Å; L29-F33 WeakPolarHBondContact O-CB 3.29Å; L29-F33 PolarHBondContact O-N 3.08Å; L29-F86 HydrophobicContact CB-CE2 4.34Å; L29-F89 HydrophobicContact CB-CE1 4.45Å; L29-F89 HydrophobicContact CD2-CE1 4.21Å; L29-L90 HydrophobicContact CB-CD2 3.74Å; L29-L90 HydrophobicContact CD1-CD2 3.51Å; L29-L90 HydrophobicContact CG-CD2 4.26Å; L29-M93 HydrophobicContact CD1-CB 4.33Å; L29-M93 HydrophobicContact CD2-CE 3.93Å; L29-M93 HydrophobicContact CD2-CG 4.2Å; L29-F205 HydrophobicContact CD2-CE2 4.14Å; L29-L206 HydrophobicContact CD1-CD2 3.95Å; L29-L206 HydrophobicContact CD2-CD2 3.86Å; L29-L206 HydrophobicContact CG-CD2 4.12Å
30H86.8Confident85.2Confident41 Ų4159.2 Ų59.219%0.1932%0.316CS..Hα-helixtrans-65-44.8175.5-162.797000111.9Y12 I26 K27 N28 R32 F33 Q34 F86Y12-H30 HydrophobicContact CE1-CB 4.49Å; Y12-H30 AromaticContact CE1-ND1 3.99Å; I26-H30 WeakPolarHBondContact O-CB 3.49Å; I26-H30 PolarHBondContact O-N 3.42Å; K27-H30 WeakPolarHBondContact O-CB 3.19Å; K27-H30 PolarHBondContact O-N 3.28Å; N28-H30 VanDerWaalsContact C-N 3.32Å; N28-H30 PolarHBondContact O-N 3.01Å; H30-R32 VanDerWaalsContact C-N 3.28Å; H30-R32 PolarHBondContact O-N 2.81Å; H30-F33 WeakPolarHBondContact O-CB 3.35Å; H30-F33 PolarHBondContact O-N 3.32Å; H30-Q34 PolarHBondContact CD2-NE2 3.21Å; H30-Q34 VanDerWaalsContact CD2-NE2 3.29Å; H30-Q34 PolarHBondContact NE2-NE2 2.89Å; H30-Q34 WeakPolarHBondContact O-CG 3.47Å; H30-Q34 PolarHBondContact O-N 3.1Å; H30-F86 HydrophobicContact CB-CD2 4.45Å; H30-F86 HydrophobicContact CB-CE1 4.02Å; H30-F86 HydrophobicContact CB-CE2 3.72Å; H30-F86 HydrophobicContact CB-CZ 3.44Å; H30-F86 VanDerWaalsContact CB-CZ 3.44Å; H30-F86 AromaticContact CE1-CD1 3.93Å; H30-F86 AromaticContact CG-CE1 4Å; H30-F86 AromaticContact CG-CZ 3.86Å; H30-F86 AromaticContact ND1-CD1 3.23Å; H30-F86 WeakPolarHBondContact ND1-CD1 3.23Å; H30-F86 AromaticContact ND1-CD2 3.79Å; H30-F86 AromaticContact ND1-CE1 3.19Å; H30-F86 WeakPolarHBondContact ND1-CE1 3.4Å; H30-F86 AromaticContact ND1-CE2 3.79Å; H30-F86 AromaticContact ND1-CG 3.53Å; H30-F86 AromaticContact ND1-CZ 3.49Å; H30-F86 WeakPolarHBondContact ND1-CZ 3.47Å
31M85.5Confident85.7Confident99 Ų9966 Ų6649%0.48833%0.331SS..Hα-helixtrans-60.2-41.3173.6-71.1-173.2-69.200111.1K27 N28 Q34 Q35K27-M31 WeakPolarHBondContact O-CG 3.48Å; K27-M31 PolarHBondContact O-N 3.39Å; N28-M31 HydrophobicContact CB-CE 4.49Å; N28-M31 PolarHBondContact O-N 2.99Å; N28-M31 WeakPolarHBondContact OD1-CE 2.91Å; M31-Q34 PolarHBondContact O-N 2.8Å; M31-Q35 WeakPolarHBondContact O-CG 3.42Å; M31-Q35 PolarHBondContact O-N 3.28Å; M31-Q35 VanDerWaalsContact O-N 3.08Å
32R86.7Confident86Confident115 Ų11567.9 Ų67.943%0.43434%0.343SS..Hα-helixtrans-66.1-41.6176.8-172.557171.7-168.6-0.8112N28 L29 H30 Q34 Q35 L36N28-R32 PolarHBondContact O-N 3.49Å; L29-R32 PolarHBondContact O-N 3.26Å; H30-R32 VanDerWaalsContact C-N 3.28Å; H30-R32 PolarHBondContact O-N 2.81Å; R32-Q34 PolarHBondContact O-N 3.24Å; R32-Q35 WeakPolarHBondContact O-CB 3.3Å; R32-Q35 PolarHBondContact O-N 3.26Å; R32-L36 HydrophobicContact CG-CD1 4.19Å; R32-L36 HydrophobicContact CG-CG 4.48Å; R32-L36 VanDerWaalsContact O-CG 3.3Å; R32-L36 WeakPolarHBondContact O-CG 3.26Å; R32-L36 PolarHBondContact O-N 3.45Å
33F88.6Confident86.4Confident5 Ų565.7 Ų65.72%0.02233%0.328CS..Hα-helixtrans-57.9-48.3175.7177.6-91.3000111L29 H30 Q35 L36 S37 L43 G85 F86 F89L29-F33 WeakPolarHBondContact O-CB 3.29Å; L29-F33 PolarHBondContact O-N 3.08Å; H30-F33 WeakPolarHBondContact O-CB 3.35Å; H30-F33 PolarHBondContact O-N 3.32Å; F33-Q35 VanDerWaalsContact C-N 3.32Å; F33-Q35 PolarHBondContact O-N 2.97Å; F33-L36 PolarHBondContact O-N 3.49Å; F33-L36 VanDerWaalsContact O-N 3.13Å; F33-S37 WeakPolarHBondContact O-CB 3.36Å; F33-S37 PolarHBondContact O-N 3.28Å; F33-S37 PolarHBondContact O-OG 3.38Å; F33-L43 HydrophobicContact CE2-CB 3.7Å; F33-L43 HydrophobicContact CE2-CD2 4.48Å; F33-L43 HydrophobicContact CZ-CB 4.1Å; F33-G85 WeakPolarHBondContact CE2-O 3.4Å; F33-F86 HydrophobicContact CB-CD2 3.8Å; F33-F86 HydrophobicContact CB-CE2 4.19Å; F33-F86 HydrophobicContact CD1-CB 4.3Å; F33-F86 HydrophobicContact CD1-CD2 4.22Å; F33-F86 HydrophobicContact CD2-CD2 4.21Å; F33-F86 HydrophobicContact CE1-CB 4.26Å; F33-F86 AromaticContact CG-CD2 3.82Å; F33-F86 HydrophobicContact CG-CD2 3.82Å; F33-F86 HydrophobicContact CZ-CB 4.4Å; F33-F89 HydrophobicContact CB-CD1 4.31Å; F33-F89 HydrophobicContact CB-CE1 4.39Å; F33-F89 HydrophobicContact CD2-CB 3.75Å; F33-F89 HydrophobicContact CD2-CD1 4.02Å; F33-F89 HydrophobicContact CD2-CD2 4.05Å; F33-F89 AromaticContact CD2-CG 3.67Å; F33-F89 HydrophobicContact CD2-CG 3.67Å; F33-F89 HydrophobicContact CE2-CB 3.95Å; F33-F89 HydrophobicContact CE2-CG 4.32Å
34Q87.5Confident86.9Confident76 Ų7667.4 Ų67.436%0.35533%0.328SS..Hα-helixtrans-60.6-39.3177-71.5178.7-15.100112.8H30 M31 R32 L36 S37 G38 N39H30-Q34 PolarHBondContact CD2-NE2 3.21Å; H30-Q34 VanDerWaalsContact CD2-NE2 3.29Å; H30-Q34 PolarHBondContact NE2-NE2 2.89Å; H30-Q34 WeakPolarHBondContact O-CG 3.47Å; H30-Q34 PolarHBondContact O-N 3.1Å; M31-Q34 PolarHBondContact O-N 2.8Å; R32-Q34 PolarHBondContact O-N 3.24Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; Q34-S37 PolarHBondContact O-OG 3.44Å; Q34-G38 PolarHBondContact O-N 3.17Å; Q34-G38 VanDerWaalsContact O-N 3.14Å; Q34-N39 PolarHBondContact O-N 3.39Å
35Q87.6Confident87.4Confident130 Ų13065.2 Ų65.261%0.60732%0.315SS*.Hα-helixtrans-63.9-40.9175.2-73.1173.5-2.900112.1M31 R32 F33M31-Q35 WeakPolarHBondContact O-CG 3.42Å; M31-Q35 PolarHBondContact O-N 3.28Å; M31-Q35 VanDerWaalsContact O-N 3.08Å; R32-Q35 WeakPolarHBondContact O-CB 3.3Å; R32-Q35 PolarHBondContact O-N 3.26Å; F33-Q35 VanDerWaalsContact C-N 3.32Å; F33-Q35 PolarHBondContact O-N 2.97Å
36L87.6Confident87.8Confident32 Ų3268.1 Ų68.117%0.16833%0.329CS..Hα-helixtrans-71.5-40.3179.4-68.1175.7000111.5R32 F33 Q34 G38 L43 H47 L48 I51 F89R32-L36 HydrophobicContact CG-CD1 4.19Å; R32-L36 HydrophobicContact CG-CG 4.48Å; R32-L36 VanDerWaalsContact O-CG 3.3Å; R32-L36 WeakPolarHBondContact O-CG 3.26Å; R32-L36 PolarHBondContact O-N 3.45Å; F33-L36 PolarHBondContact O-N 3.49Å; F33-L36 VanDerWaalsContact O-N 3.13Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; L36-G38 VanDerWaalsContact C-N 3.28Å; L36-G38 PolarHBondContact O-N 3.42Å; L36-L43 HydrophobicContact CB-CD1 3.81Å; L36-H47 WeakPolarHBondContact O-CB 3.15Å; L36-L48 HydrophobicContact CD1-CD2 4.31Å; L36-I51 HydrophobicContact CD2-CD1 3.6Å; L36-I51 HydrophobicContact CD2-CG1 3.85Å; L36-F89 HydrophobicContact CD1-CE2 4.33Å; L36-F89 HydrophobicContact CD1-CZ 4.48Å
37S87.7Confident88Confident0 Ų069.7 Ų69.70%034%0.336CS..THydrogen-bonded Turntrans-80.4-0.918070.20000114.3F33 Q34 N39 E40 T42F33-S37 WeakPolarHBondContact O-CB 3.36Å; F33-S37 PolarHBondContact O-N 3.28Å; F33-S37 PolarHBondContact O-OG 3.38Å; Q34-S37 PolarHBondContact O-OG 3.44Å; S37-N39 VanDerWaalsContact C-N 3.25Å; S37-N39 PolarHBondContact O-N 3.04Å; S37-E40 VanDerWaalsContact O-CB 3.28Å; S37-E40 WeakPolarHBondContact O-CB 3.35Å; S37-E40 VanDerWaalsContact O-CG 3.31Å; S37-E40 WeakPolarHBondContact O-CG 3.36Å; S37-E40 PolarHBondContact O-N 3.27Å; S37-E40 VanDerWaalsContact O-N 3.13Å; S37-E40 PolarHBondContact OG-N 3.45Å; S37-E40 PolarHBondContact OG-O 3.19Å; S37-T42 WeakPolarHBondContact CB-O 3.32Å
38G86.3Confident88.2Confident55 Ų5565.2 Ų65.257%0.56732%0.317SS*.THydrogen-bonded Turntrans65.428.7-173.900000113.6Q34 L36 E40Q34-G38 PolarHBondContact O-N 3.17Å; Q34-G38 VanDerWaalsContact O-N 3.14Å; L36-G38 VanDerWaalsContact C-N 3.28Å; L36-G38 PolarHBondContact O-N 3.42Å; G38-E40 VanDerWaalsContact C-N 3.29Å
39N84.6Confident88.3Confident131 Ų13168.1 Ų68.170%0.70133%0.326SS*.THydrogen-bonded Turntrans69.716.4-171.3-48.6-67.3000115Q34 S37Q34-N39 PolarHBondContact O-N 3.39Å; S37-N39 VanDerWaalsContact C-N 3.25Å; S37-N39 PolarHBondContact O-N 3.04Å
40E87.8Confident88.4Confident91 Ų9173.8 Ų73.843%0.42536%0.357SS..  trans-75.1158.9168.5-63.3-175.4176.800111.6S37 G38 T42 H47S37-E40 VanDerWaalsContact O-CB 3.28Å; S37-E40 WeakPolarHBondContact O-CB 3.35Å; S37-E40 VanDerWaalsContact O-CG 3.31Å; S37-E40 WeakPolarHBondContact O-CG 3.36Å; S37-E40 PolarHBondContact O-N 3.27Å; S37-E40 VanDerWaalsContact O-N 3.13Å; S37-E40 PolarHBondContact OG-N 3.45Å; S37-E40 PolarHBondContact OG-O 3.19Å; G38-E40 VanDerWaalsContact C-N 3.29Å; E40-T42 VanDerWaalsContact C-N 3.28Å; E40-H47 IonicContact OE2-CE1 3.44Å; E40-H47 PolarHBondContact OE2-CE1 3.04Å
41K86.8Confident88.4Confident194 Ų19473.2 Ų73.284%0.84335%0.354SS*.SBendtrans-73.9-21.6177.9-67.4-175.7-179.6179.10112.9
42T91.1Very high88.4Confident43 Ų4374 Ų7426%0.26437%0.367SS..SBendtrans-125.1156-177.354.50000110.2S37 E40 E83 I84S37-T42 WeakPolarHBondContact CB-O 3.32Å; E40-T42 VanDerWaalsContact C-N 3.28Å; T42-E83 VanDerWaalsContact CB-OE2 3.26Å; T42-E83 WeakPolarHBondContact CB-OE2 3.49Å; T42-E83 HydrophobicContact CG2-CB 4.48Å; T42-E83 PolarHBondContact OG1-OE2 2.83Å; T42-I84 CarbonylContact C-O 3.51Å; T42-I84 WeakPolarHBondContact CA-O 3.3Å
43L91.8Very high88.3Confident0 Ų072.7 Ų72.70%038%0.381CS..EExtended strand (participates in β ladder)trans-112.3134.1177.1-172.475.4000108.8F33 L36 H47 L48 F68 E83 I84 F89F33-L43 HydrophobicContact CE2-CB 3.7Å; F33-L43 HydrophobicContact CE2-CD2 4.48Å; F33-L43 HydrophobicContact CZ-CB 4.1Å; L36-L43 HydrophobicContact CB-CD1 3.81Å; L43-H47 HydrophobicContact CD1-CB 3.58Å; L43-H47 HydrophobicContact CG-CB 4.38Å; L43-L48 HydrophobicContact CD2-CD1 4.25Å; L43-L48 HydrophobicContact CD2-CD2 3.84Å; L43-L48 HydrophobicContact CD2-CG 4.02Å; L43-L48 HydrophobicContact CG-CG 4.46Å; L43-F68 WeakPolarHBondContact O-CE1 3.31Å; L43-E83 WeakPolarHBondContact O-CA 3.36Å; L43-I84 HydrophobicContact CB-CG1 3.88Å; L43-I84 HydrophobicContact CD2-CD1 4.13Å; L43-I84 HydrophobicContact CD2-CG1 4.29Å; L43-I84 PolarHBondContact N-O 3.06Å; L43-I84 PolarHBondContact O-N 3.17Å; L43-F89 HydrophobicContact CD2-CD2 4.14Å
44R92.6Very high88.1Confident97 Ų9774 Ų7437%0.36639%0.388SS..EExtended strand (participates in β ladder)trans-112.6160.7179.4-64.7177.9174-171.5-2.5110.6E46 H47 E83R44-E46 HydrophobicContact CB-CG 3.79Å; R44-E46 WeakPolarHBondContact CD-OE1 3.43Å; R44-E46 IonicContact NH1-OE1 3.68Å; R44-E46 PolarHBondContact NH1-OE1 2.97Å; R44-E46 PolarHBondContact O-N 2.65Å; R44-H47 PolarHBondContact N-ND1 3.25Å; R44-H47 VanDerWaalsContact O-CB 3.31Å; R44-H47 WeakPolarHBondContact O-CB 3.49Å; R44-H47 PolarHBondContact O-N 2.78Å; R44-E83 HydrophobicContact CG-CB 4.48Å; R44-E83 HydrophobicContact CG-CG 3.97Å; R44-E83 IonicContact CZ-OE1 3.92Å; R44-E83 IonicContact NE-OE1 3.92Å; R44-E83 PolarHBondContact NE-OE1 3.14Å; R44-E83 IonicContact NH2-OE1 2.77Å; R44-E83 PolarHBondContact NH2-OE1 3.39Å
45R92.5Very high87.8Confident51 Ų5172.4 Ų72.419%0.19239%0.388CS..Hα-helixtrans-54.7-39.8176.7-71176.2174.178.9-4.3112.5H47 L48 K49 I64 E65 F68 S80 Y81R45-H47 VanDerWaalsContact C-N 3.28Å; R45-H47 PolarHBondContact O-N 3.14Å; R45-L48 PolarHBondContact O-N 3.13Å; R45-L48 VanDerWaalsContact O-N 3.17Å; R45-K49 WeakPolarHBondContact O-CG 3.09Å; R45-K49 PolarHBondContact O-N 2.88Å; R45-I64 HydrophobicContact CB-CG2 4.24Å; R45-I64 HydrophobicContact CG-CG2 4.16Å; R45-E65 WeakPolarHBondContact CD-OE1 3.48Å; R45-E65 IonicContact CZ-OE2 3.4Å; R45-E65 IonicContact NE-OE1 2.82Å; R45-E65 PolarHBondContact NE-OE1 2.78Å; R45-E65 IonicContact NE-OE2 3.09Å; R45-E65 PolarHBondContact NE-OE2 2.71Å; R45-E65 IonicContact NH2-OE2 2.7Å; R45-E65 PolarHBondContact NH2-OE2 2.94Å; R45-F68 HydrophobicContact CB-CE2 4.18Å; R45-F68 HydrophobicContact CB-CZ 4.45Å; R45-F68 HydrophobicContact CG-CD1 4.41Å; R45-F68 HydrophobicContact CG-CD2 3.54Å; R45-F68 HydrophobicContact CG-CE1 4.31Å; R45-F68 HydrophobicContact CG-CE2 3.44Å; R45-F68 VanDerWaalsContact CG-CE2 3.44Å; R45-F68 HydrophobicContact CG-CG 4.09Å; R45-F68 HydrophobicContact CG-CZ 3.89Å; R45-F68 VanDerWaalsContact N-CZ 3.3Å; R45-S80 PolarHBondContact NH2-OG 3.47Å; R45-Y81 PolarHBondContact NH1-O 2.71Å; R45-Y81 PolarHBondContact NH2-O 2.96Å
46E90.2Very high87.5Confident99 Ų9972.7 Ų72.746%0.46339%0.393SS..Hα-helixtrans-59.3-37.1178.159.2-167.8167.600112.9R44 L48 K49 N50R44-E46 HydrophobicContact CB-CG 3.79Å; R44-E46 WeakPolarHBondContact CD-OE1 3.43Å; R44-E46 IonicContact NH1-OE1 3.68Å; R44-E46 PolarHBondContact NH1-OE1 2.97Å; R44-E46 PolarHBondContact O-N 2.65Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 3.23Å; E46-K49 PolarHBondContact O-N 3.17Å; E46-N50 PolarHBondContact O-N 2.93Å; E46-N50 VanDerWaalsContact O-N 3.13Å; E46-N50 PolarHBondContact O-ND2 3.13Å; E46-N50 VanDerWaalsContact O-ND2 3.13Å
47H90.1Very high87.3Confident33 Ų3373.3 Ų73.315%0.15340%0.397CS..Hα-helixtrans-62-41.6176.2-61.4157000111.7L36 E40 L43 R44 R45L36-H47 WeakPolarHBondContact O-CB 3.15Å; E40-H47 IonicContact OE2-CE1 3.44Å; E40-H47 PolarHBondContact OE2-CE1 3.04Å; L43-H47 HydrophobicContact CD1-CB 3.58Å; L43-H47 HydrophobicContact CG-CB 4.38Å; R44-H47 PolarHBondContact N-ND1 3.25Å; R44-H47 VanDerWaalsContact O-CB 3.31Å; R44-H47 WeakPolarHBondContact O-CB 3.49Å; R44-H47 PolarHBondContact O-N 2.78Å; R45-H47 VanDerWaalsContact C-N 3.28Å; R45-H47 PolarHBondContact O-N 3.14Å
48L88.5Confident87.1Confident5 Ų575 Ų753%0.02641%0.408CS..Hα-helixtrans-75-36.1177.2-64-175.6000112.8L36 L43 R45 E46 N50 I51 I64 F67 F68L36-L48 HydrophobicContact CD1-CD2 4.31Å; L43-L48 HydrophobicContact CD2-CD1 4.25Å; L43-L48 HydrophobicContact CD2-CD2 3.84Å; L43-L48 HydrophobicContact CD2-CG 4.02Å; L43-L48 HydrophobicContact CG-CG 4.46Å; R45-L48 PolarHBondContact O-N 3.13Å; R45-L48 VanDerWaalsContact O-N 3.17Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 3.23Å; L48-N50 PolarHBondContact O-N 3.24Å; L48-I51 HydrophobicContact CB-CD1 4.41Å; L48-I51 HydrophobicContact CD2-CD1 3.68Å; L48-I51 WeakPolarHBondContact O-CB 3.41Å; L48-I51 VanDerWaalsContact O-CG1 3.31Å; L48-I51 WeakPolarHBondContact O-CG1 3.08Å; L48-I51 PolarHBondContact O-N 2.96Å; L48-I51 VanDerWaalsContact O-N 3.13Å; L48-I64 HydrophobicContact CB-CD1 4.23Å; L48-I64 HydrophobicContact CB-CG1 3.85Å; L48-I64 HydrophobicContact CB-CG2 4.36Å; L48-I64 HydrophobicContact CD1-CG1 4.48Å; L48-I64 HydrophobicContact CD1-CG2 4.45Å; L48-F67 HydrophobicContact CD1-CB 3.99Å; L48-F67 HydrophobicContact CD1-CD2 4Å; L48-F67 HydrophobicContact CD1-CG 3.99Å; L48-F68 HydrophobicContact CD1-CE2 3.9Å; L48-F68 HydrophobicContact CD1-CZ 4.44Å
49K88.1Confident87Confident130 Ų13074.3 Ų74.357%0.56539%0.391SS*.Hα-helixtrans-60.8-30.4175.5-73.4179.3-178.5-178.40112.5R45 E46 I51 I64R45-K49 WeakPolarHBondContact O-CG 3.09Å; R45-K49 PolarHBondContact O-N 2.88Å; E46-K49 PolarHBondContact O-N 3.17Å; K49-I51 PolarHBondContact O-N 3.49Å; K49-I64 HydrophobicContact CB-CD1 4.39Å; K49-I64 HydrophobicContact CG-CD1 3.64Å
50N87.8Confident87.2Confident123 Ų12372.1 Ų72.166%0.65838%0.375SS*.THydrogen-bonded Turntrans-78.3-2.4179.5-70.2-25.7000114E46 L48 P52E46-N50 PolarHBondContact O-N 2.93Å; E46-N50 VanDerWaalsContact O-N 3.13Å; E46-N50 PolarHBondContact O-ND2 3.13Å; E46-N50 VanDerWaalsContact O-ND2 3.13Å; L48-N50 PolarHBondContact O-N 3.24Å; N50-P52 WeakPolarHBondContact O-CD 3.28Å
51I87.8Confident87.2Confident28 Ų2871 Ų7114%0.14437%0.374CS..  trans-71.3113.9178.1-61.9172.1000109.3L36 L48 K49 A53 L54 A55L36-I51 HydrophobicContact CD2-CD1 3.6Å; L36-I51 HydrophobicContact CD2-CG1 3.85Å; L48-I51 HydrophobicContact CB-CD1 4.41Å; L48-I51 HydrophobicContact CD2-CD1 3.68Å; L48-I51 WeakPolarHBondContact O-CB 3.41Å; L48-I51 VanDerWaalsContact O-CG1 3.31Å; L48-I51 WeakPolarHBondContact O-CG1 3.08Å; L48-I51 PolarHBondContact O-N 2.96Å; L48-I51 VanDerWaalsContact O-N 3.13Å; K49-I51 PolarHBondContact O-N 3.49Å; I51-A53 HydrophobicContact CG2-CB 4.15Å; I51-A53 PolarHBondContact O-N 3.1Å; I51-A53 VanDerWaalsContact O-N 3.17Å; I51-L54 HydrophobicContact CB-CB 4.31Å; I51-L54 HydrophobicContact CB-CD1 4.12Å; I51-L54 HydrophobicContact CB-CG 4.15Å; I51-L54 HydrophobicContact CD1-CD1 3.92Å; I51-L54 HydrophobicContact CG2-CB 4.42Å; I51-L54 HydrophobicContact CG2-CD1 4.37Å; I51-L54 HydrophobicContact CG2-CG 4Å; I51-L54 PolarHBondContact O-N 3.46Å; I51-A55 PolarHBondContact O-N 3.38Å
52P85.3Confident87.2Confident115 Ų11562.6 Ų62.675%0.74734%0.338SS*.G310 helixtrans-61.9-32.5-175.5-24.135.4000113.1N50 L54 A55N50-P52 WeakPolarHBondContact O-CD 3.28Å; P52-L54 PolarHBondContact O-N 3.39Å; P52-A55 WeakPolarHBondContact O-CB 3.22Å; P52-A55 PolarHBondContact O-N 2.96Å
53A83.4Confident87Confident89 Ų8962.5 Ų62.574%0.73634%0.335SS*.G310 helixtrans-67.6-20.4178.100000113.7I51I51-A53 HydrophobicContact CG2-CB 4.15Å; I51-A53 PolarHBondContact O-N 3.1Å; I51-A53 VanDerWaalsContact O-N 3.17Å
54L84.4Confident86.9Confident33 Ų3362.8 Ų62.817%0.17334%0.337CS..G310 helixtrans-92.3-11175.6-67.5-178.3000112.7I51 P52 N56 N57 K60 I63I51-L54 HydrophobicContact CB-CB 4.31Å; I51-L54 HydrophobicContact CB-CD1 4.12Å; I51-L54 HydrophobicContact CB-CG 4.15Å; I51-L54 HydrophobicContact CD1-CD1 3.92Å; I51-L54 HydrophobicContact CG2-CB 4.42Å; I51-L54 HydrophobicContact CG2-CD1 4.37Å; I51-L54 HydrophobicContact CG2-CG 4Å; I51-L54 PolarHBondContact O-N 3.46Å; P52-L54 PolarHBondContact O-N 3.39Å; L54-N56 VanDerWaalsContact C-N 3.28Å; L54-N56 PolarHBondContact O-N 3.4Å; L54-N57 PolarHBondContact O-N 3.04Å; L54-N57 VanDerWaalsContact O-N 3.13Å; L54-K60 HydrophobicContact CB-CB 4.42Å; L54-K60 WeakPolarHBondContact O-CB 3.14Å; L54-K60 VanDerWaalsContact O-CD 3.31Å; L54-K60 WeakPolarHBondContact O-CD 3.5Å; L54-I63 HydrophobicContact CD2-CD1 4.4Å
55A82.3Confident86.8Confident42 Ų4261.5 Ų61.535%0.34734%0.335SS..THydrogen-bonded Turntrans-58.8-39.1-17100000113.3I51 P52 K60I51-A55 PolarHBondContact O-N 3.38Å; P52-A55 WeakPolarHBondContact O-CB 3.22Å; P52-A55 PolarHBondContact O-N 2.96Å; A55-K60 PolarHBondContact O-NZ 3.28Å
56N81.7Confident86.6Confident135 Ų13559.2 Ų59.272%0.72233%0.327SS*.THydrogen-bonded Turntrans-106.722.5-178.4-53.4-27.6000112.2L54L54-N56 VanDerWaalsContact C-N 3.28Å; L54-N56 PolarHBondContact O-N 3.4Å
57N83.5Confident86.5Confident46 Ų4655.6 Ų55.625%0.24631%0.31CS..  trans-93.6122175.1-172.2-17.8000108.6L54 I59 K60L54-N57 PolarHBondContact O-N 3.04Å; L54-N57 VanDerWaalsContact O-N 3.13Å; N57-I59 PolarHBondContact O-N 2.94Å; N57-I59 WeakPolarHBondContact OD1-CG1 3.06Å; N57-I59 PolarHBondContact OD1-N 2.98Å; N57-K60 HydrophobicContact CB-CB 4.25Å; N57-K60 VanDerWaalsContact O-CB 3.22Å; N57-K60 WeakPolarHBondContact O-CB 3.35Å; N57-K60 WeakPolarHBondContact O-CG 3.49Å; N57-K60 PolarHBondContact O-N 3.46Å
58P83.3Confident86.5Confident34 Ų3454 Ų5422%0.22130%0.303CS..THydrogen-bonded Turntrans-57.2-37.7-178.1-17.119.1000112.9K60 L143 E146P58-K60 VanDerWaalsContact C-N 3.29Å; P58-K60 PolarHBondContact O-N 2.91Å; P58-L143 HydrophobicContact CB-CD2 4.22Å; P58-L143 HydrophobicContact CG-CD2 4.46Å; P58-E146 WeakPolarHBondContact CA-OE2 3.45Å; P58-E146 VanDerWaalsContact CB-OE2 3.22Å; P58-E146 WeakPolarHBondContact CB-OE2 3.3Å; P58-E146 VanDerWaalsContact CD-OE2 3.28Å; P58-E146 WeakPolarHBondContact CD-OE2 3.3Å; P58-E146 HydrophobicContact CG-CB 4.19Å; P58-E146 WeakPolarHBondContact CG-OE2 3.31Å
59I84.1Confident86.5Confident42 Ų4254.4 Ų54.422%0.21531%0.305CS..THydrogen-bonded Turntrans-92.421-178.658.2163.6000112.7N57 T61 E62 I63 M122 L143N57-I59 PolarHBondContact O-N 2.94Å; N57-I59 WeakPolarHBondContact OD1-CG1 3.06Å; N57-I59 PolarHBondContact OD1-N 2.98Å; I59-T61 VanDerWaalsContact C-N 3.26Å; I59-T61 PolarHBondContact O-N 3.49Å; I59-E62 VanDerWaalsContact CA-OE2 3.22Å; I59-E62 WeakPolarHBondContact CA-OE2 3.36Å; I59-E62 HydrophobicContact CB-CB 4.42Å; I59-E62 PolarHBondContact O-N 3.2Å; I59-I63 HydrophobicContact CD1-CD1 3.81Å; I59-I63 HydrophobicContact CD1-CG1 4.1Å; I59-I63 HydrophobicContact CG1-CD1 3.76Å; I59-I63 HydrophobicContact CG1-CG1 4.22Å; I59-I63 WeakPolarHBondContact O-CB 3.22Å; I59-I63 VanDerWaalsContact O-CG1 3.22Å; I59-I63 WeakPolarHBondContact O-CG1 3.33Å; I59-I63 PolarHBondContact O-N 3.16Å; I59-M122 HydrophobicContact CB-CE 4.3Å; I59-M122 HydrophobicContact CD1-CE 4.14Å; I59-M122 HydrophobicContact CG2-CE 4.47Å; I59-L143 HydrophobicContact CG2-CD2 3.77Å; I59-L143 HydrophobicContact CG2-CG 4.24Å
60K88.3Confident86.4Confident84 Ų8450.7 Ų50.737%0.36529%0.288SS..Hα-helixtrans-61.3-36.7-175.868.8-172.2174.7-167.90112.2L54 A55 N57 P58 I64L54-K60 HydrophobicContact CB-CB 4.42Å; L54-K60 WeakPolarHBondContact O-CB 3.14Å; L54-K60 VanDerWaalsContact O-CD 3.31Å; L54-K60 WeakPolarHBondContact O-CD 3.5Å; A55-K60 PolarHBondContact O-NZ 3.28Å; N57-K60 HydrophobicContact CB-CB 4.25Å; N57-K60 VanDerWaalsContact O-CB 3.22Å; N57-K60 WeakPolarHBondContact O-CB 3.35Å; N57-K60 WeakPolarHBondContact O-CG 3.49Å; N57-K60 PolarHBondContact O-N 3.46Å; P58-K60 VanDerWaalsContact C-N 3.29Å; P58-K60 PolarHBondContact O-N 2.91Å; K60-I64 WeakPolarHBondContact O-CB 3.48Å; K60-I64 WeakPolarHBondContact O-CD1 3.37Å; K60-I64 WeakPolarHBondContact O-CG1 3.27Å; K60-I64 PolarHBondContact O-N 2.99Å
61T87.4Confident86.2Confident67 Ų6746.4 Ų46.441%0.41126%0.263SS..Hα-helixtrans-69.4-45-175.9-53.90000109.1I59 I64 E65I59-T61 VanDerWaalsContact C-N 3.26Å; I59-T61 PolarHBondContact O-N 3.49Å; T61-I64 PolarHBondContact O-N 3.1Å; T61-E65 WeakPolarHBondContact O-CG 3.21Å; T61-E65 PolarHBondContact O-N 2.73Å
62E87.3Confident85.9Confident18 Ų1845.3 Ų45.38%0.08426%0.257CS..Hα-helixtrans-62.9-45.6179-65.863.1-136.800110.2I59 I64 E65 A66 M122 K138I59-E62 VanDerWaalsContact CA-OE2 3.22Å; I59-E62 WeakPolarHBondContact CA-OE2 3.36Å; I59-E62 HydrophobicContact CB-CB 4.42Å; I59-E62 PolarHBondContact O-N 3.2Å; E62-I64 VanDerWaalsContact C-N 3.35Å; E62-I64 PolarHBondContact O-N 3.34Å; E62-E65 PolarHBondContact O-N 3.06Å; E62-A66 VanDerWaalsContact O-CB 3.22Å; E62-A66 WeakPolarHBondContact O-CB 3.4Å; E62-A66 PolarHBondContact O-N 3.42Å; E62-M122 HydrophobicContact CB-CE 3.86Å; E62-M122 HydrophobicContact CB-CG 3.63Å; E62-M122 HydrophobicContact CB-SD 4.08Å; E62-K138 IonicContact OE1-NZ 2.71Å
63I87.4Confident85.8Confident41 Ų4140.8 Ų40.821%0.2123%0.226CC..Hα-helixtrans-58.8-47.8173.5-70.1166.4000110.3L54 I59 A66 F67L54-I63 HydrophobicContact CD2-CD1 4.4Å; I59-I63 HydrophobicContact CD1-CD1 3.81Å; I59-I63 HydrophobicContact CD1-CG1 4.1Å; I59-I63 HydrophobicContact CG1-CD1 3.76Å; I59-I63 HydrophobicContact CG1-CG1 4.22Å; I59-I63 WeakPolarHBondContact O-CB 3.22Å; I59-I63 VanDerWaalsContact O-CG1 3.22Å; I59-I63 WeakPolarHBondContact O-CG1 3.33Å; I59-I63 PolarHBondContact O-N 3.16Å; I63-A66 PolarHBondContact O-N 3.41Å; I63-F67 HydrophobicContact CG2-CD2 4.43Å; I63-F67 HydrophobicContact CG2-CE2 4.2Å; I63-F67 VanDerWaalsContact O-CD2 3.32Å; I63-F67 WeakPolarHBondContact O-CD2 3.4Å; I63-F67 PolarHBondContact O-N 3.34Å
64I89.7Confident85.1Confident6 Ų641.9 Ų41.93%0.03122%0.219CC..Hα-helixtrans-63.8-50.7-177.6-70.2168.8000110R45 L48 K49 K60 T61 E62 A66 F67 F68R45-I64 HydrophobicContact CB-CG2 4.24Å; R45-I64 HydrophobicContact CG-CG2 4.16Å; L48-I64 HydrophobicContact CB-CD1 4.23Å; L48-I64 HydrophobicContact CB-CG1 3.85Å; L48-I64 HydrophobicContact CB-CG2 4.36Å; L48-I64 HydrophobicContact CD1-CG1 4.48Å; L48-I64 HydrophobicContact CD1-CG2 4.45Å; K49-I64 HydrophobicContact CB-CD1 4.39Å; K49-I64 HydrophobicContact CG-CD1 3.64Å; K60-I64 WeakPolarHBondContact O-CB 3.48Å; K60-I64 WeakPolarHBondContact O-CD1 3.37Å; K60-I64 WeakPolarHBondContact O-CG1 3.27Å; K60-I64 PolarHBondContact O-N 2.99Å; T61-I64 PolarHBondContact O-N 3.1Å; E62-I64 VanDerWaalsContact C-N 3.35Å; E62-I64 PolarHBondContact O-N 3.34Å; I64-A66 VanDerWaalsContact C-N 3.27Å; I64-A66 PolarHBondContact O-N 3.38Å; I64-F67 WeakPolarHBondContact O-CB 3.4Å; I64-F67 PolarHBondContact O-N 2.85Å; I64-F67 VanDerWaalsContact O-N 3.11Å; I64-F68 HydrophobicContact CG2-CD2 4.42Å; I64-F68 HydrophobicContact CG2-CE2 4.19Å; I64-F68 WeakPolarHBondContact O-CD2 3.41Å
65E88.9Confident84.3Confident71 Ų7146.2 Ų46.233%0.33224%0.242SC..Hα-helixtrans-62.9-34.7-179.8-66.9-51.7137.500112R45 T61 E62 F67 F68 D69R45-E65 WeakPolarHBondContact CD-OE1 3.48Å; R45-E65 IonicContact CZ-OE2 3.4Å; R45-E65 IonicContact NE-OE1 2.82Å; R45-E65 PolarHBondContact NE-OE1 2.78Å; R45-E65 IonicContact NE-OE2 3.09Å; R45-E65 PolarHBondContact NE-OE2 2.71Å; R45-E65 IonicContact NH2-OE2 2.7Å; R45-E65 PolarHBondContact NH2-OE2 2.94Å; T61-E65 WeakPolarHBondContact O-CG 3.21Å; T61-E65 PolarHBondContact O-N 2.73Å; E62-E65 PolarHBondContact O-N 3.06Å; E65-F67 PolarHBondContact O-N 3.5Å; E65-F68 CarbonylContact O-C 3.46Å; E65-F68 PolarHBondContact O-N 3.18Å; E65-D69 PolarHBondContact O-N 3.46Å
66A88.5Confident83.7Confident2 Ų249 Ų492%0.01725%0.252CS..Hα-helixtrans-61.2-26.9175.600000113.7E62 I63 I64 F68 N72 F118 M122E62-A66 VanDerWaalsContact O-CB 3.22Å; E62-A66 WeakPolarHBondContact O-CB 3.4Å; E62-A66 PolarHBondContact O-N 3.42Å; I63-A66 PolarHBondContact O-N 3.41Å; I64-A66 VanDerWaalsContact C-N 3.27Å; I64-A66 PolarHBondContact O-N 3.38Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-N72 PolarHBondContact O-ND2 3.13Å; A66-F118 HydrophobicContact CB-CE1 4.31Å; A66-F118 HydrophobicContact CB-CE2 4.14Å; A66-F118 HydrophobicContact CB-CZ 3.65Å; A66-M122 HydrophobicContact CB-CB 4.44Å; A66-M122 HydrophobicContact CB-CG 4.31Å
67F88.8Confident83.5Confident24 Ų2447.3 Ų47.311%0.10524%0.239CC..Hα-helixtrans-70.3-28.6172.6-88.9-87.7000113.1L48 I63 I64 E65 I84 F89 V92 M93L48-F67 HydrophobicContact CD1-CB 3.99Å; L48-F67 HydrophobicContact CD1-CD2 4Å; L48-F67 HydrophobicContact CD1-CG 3.99Å; I63-F67 HydrophobicContact CG2-CD2 4.43Å; I63-F67 HydrophobicContact CG2-CE2 4.2Å; I63-F67 VanDerWaalsContact O-CD2 3.32Å; I63-F67 WeakPolarHBondContact O-CD2 3.4Å; I63-F67 PolarHBondContact O-N 3.34Å; I64-F67 WeakPolarHBondContact O-CB 3.4Å; I64-F67 PolarHBondContact O-N 2.85Å; I64-F67 VanDerWaalsContact O-N 3.11Å; E65-F67 PolarHBondContact O-N 3.5Å; F67-I84 HydrophobicContact CB-CD1 4.12Å; F67-I84 HydrophobicContact CD1-CD1 4.14Å; F67-F89 AromaticContact CD1-CD2 3.96Å; F67-F89 HydrophobicContact CD1-CD2 3.96Å; F67-F89 HydrophobicContact CD1-CE2 4.3Å; F67-F89 AromaticContact CE1-CD2 3.61Å; F67-F89 HydrophobicContact CE1-CD2 3.61Å; F67-F89 AromaticContact CE1-CE2 3.58Å; F67-F89 HydrophobicContact CE1-CE2 3.58Å; F67-F89 HydrophobicContact CZ-CE2 4.26Å; F67-V92 HydrophobicContact CD1-CB 3.96Å; F67-V92 HydrophobicContact CD1-CG1 3.68Å; F67-V92 HydrophobicContact CD1-CG2 4.31Å; F67-V92 HydrophobicContact CD2-CG1 4.36Å; F67-V92 HydrophobicContact CE1-CB 4.02Å; F67-V92 HydrophobicContact CE1-CG1 3.61Å; F67-V92 HydrophobicContact CE2-CG1 4.3Å; F67-V92 HydrophobicContact CG-CG1 4.06Å; F67-V92 HydrophobicContact CZ-CG1 3.94Å; F67-M93 HydrophobicContact CE1-SD 4.25Å; F67-M93 HydrophobicContact CZ-SD 4.02Å
68F90.8Very high83.2Confident0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-99.1-9.9-177.4-65-84.4000112.9L43 R45 L48 I64 E65 A66 K70 S80 Y81 I84L43-F68 WeakPolarHBondContact O-CE1 3.31Å; R45-F68 HydrophobicContact CB-CE2 4.18Å; R45-F68 HydrophobicContact CB-CZ 4.45Å; R45-F68 HydrophobicContact CG-CD1 4.41Å; R45-F68 HydrophobicContact CG-CD2 3.54Å; R45-F68 HydrophobicContact CG-CE1 4.31Å; R45-F68 HydrophobicContact CG-CE2 3.44Å; R45-F68 VanDerWaalsContact CG-CE2 3.44Å; R45-F68 HydrophobicContact CG-CG 4.09Å; R45-F68 HydrophobicContact CG-CZ 3.89Å; R45-F68 VanDerWaalsContact N-CZ 3.3Å; L48-F68 HydrophobicContact CD1-CE2 3.9Å; L48-F68 HydrophobicContact CD1-CZ 4.44Å; I64-F68 HydrophobicContact CG2-CD2 4.42Å; I64-F68 HydrophobicContact CG2-CE2 4.19Å; I64-F68 WeakPolarHBondContact O-CD2 3.41Å; E65-F68 CarbonylContact O-C 3.46Å; E65-F68 PolarHBondContact O-N 3.18Å; A66-F68 VanDerWaalsContact C-N 3.32Å; F68-K70 PolarHBondContact O-N 3.01Å; F68-S80 CarbonylContact O-C 3.52Å; F68-S80 WeakPolarHBondContact O-CA 3.22Å; F68-S80 WeakPolarHBondContact O-CB 3.22Å; F68-Y81 WeakPolarHBondContact CD1-O 3.47Å; F68-Y81 WeakPolarHBondContact O-CD2 3.32Å; F68-Y81 PolarHBondContact O-N 3.35Å; F68-I84 HydrophobicContact CD1-CG2 3.74Å; F68-I84 HydrophobicContact CE1-CB 4.47Å; F68-I84 HydrophobicContact CE1-CD1 4.44Å; F68-I84 HydrophobicContact CE1-CG1 4.02Å; F68-I84 HydrophobicContact CE1-CG2 4.03Å; F68-I84 HydrophobicContact CZ-CG1 4.41Å
69D88Confident83.2Confident13 Ų1351.5 Ų51.57%0.0727%0.269CS..BIsolated β-bridgetrans-69.4124.4177.8-168.7-16.3000111.7E65 R71 N72E65-D69 PolarHBondContact O-N 3.46Å; D69-R71 PolarHBondContact O-N 2.94Å; D69-R71 VanDerWaalsContact OD1-CB 3.27Å; D69-R71 WeakPolarHBondContact OD1-CB 3.42Å; D69-R71 WeakPolarHBondContact OD1-CG 3.46Å; D69-R71 PolarHBondContact OD1-N 3.19Å; D69-R71 IonicContact OD1-NE 2.94Å; D69-R71 PolarHBondContact OD1-NE 2.64Å; D69-R71 VanDerWaalsContact OD1-NE 3.14Å; D69-R71 IonicContact OD2-CZ 2.71Å; D69-R71 IonicContact OD2-NE 3.39Å; D69-R71 PolarHBondContact OD2-NE 3.2Å; D69-R71 IonicContact OD2-NH2 3.06Å; D69-R71 PolarHBondContact OD2-NH2 3.36Å; D69-N72 PolarHBondContact O-N 3.11Å
70K86.3Confident83.3Confident51 Ų5152.8 Ų52.822%0.22228%0.282CS..G310 helixtrans-66.8-25.6177.7-71.6-176.7168.9-160.90112.8F68 N72 Q73 E77 G79 Y81F68-K70 PolarHBondContact O-N 3.01Å; K70-N72 PolarHBondContact O-N 3.42Å; K70-Q73 WeakPolarHBondContact O-CB 3.46Å; K70-Q73 PolarHBondContact O-N 3.35Å; K70-Q73 VanDerWaalsContact O-N 3.08Å; K70-E77 CarbonylContact C-O 3.56Å; K70-E77 HydrophobicContact CB-CB 4.13Å; K70-E77 WeakPolarHBondContact CB-O 3Å; K70-E77 HydrophobicContact CD-CB 4.13Å; K70-E77 IonicContact NZ-OE2 2.95Å; K70-E77 PolarHBondContact NZ-OE2 3.17Å; K70-G79 WeakPolarHBondContact CB-O 3.47Å; K70-G79 PolarHBondContact N-O 3.02Å; K70-Y81 HydrophobicContact CB-CE2 4.22Å; K70-Y81 HydrophobicContact CG-CD2 3.78Å; K70-Y81 HydrophobicContact CG-CE1 4.27Å; K70-Y81 HydrophobicContact CG-CE2 3.43Å; K70-Y81 VanDerWaalsContact CG-CE2 3.43Å; K70-Y81 HydrophobicContact CG-CG 4.34Å
71R83.6Confident83.2Confident33 Ų3351.7 Ų51.713%0.12528%0.276CS..G310 helixtrans-64-23.6176.1-62.6176.4-69.6175.4-4.4112.5D69 Q73 N76 E77 N121 D124 G127D69-R71 PolarHBondContact O-N 2.94Å; D69-R71 VanDerWaalsContact OD1-CB 3.27Å; D69-R71 WeakPolarHBondContact OD1-CB 3.42Å; D69-R71 WeakPolarHBondContact OD1-CG 3.46Å; D69-R71 PolarHBondContact OD1-N 3.19Å; D69-R71 IonicContact OD1-NE 2.94Å; D69-R71 PolarHBondContact OD1-NE 2.64Å; D69-R71 VanDerWaalsContact OD1-NE 3.14Å; D69-R71 IonicContact OD2-CZ 2.71Å; D69-R71 IonicContact OD2-NE 3.39Å; D69-R71 PolarHBondContact OD2-NE 3.2Å; D69-R71 IonicContact OD2-NH2 3.06Å; D69-R71 PolarHBondContact OD2-NH2 3.36Å; R71-Q73 VanDerWaalsContact C-N 3.27Å; R71-N76 WeakPolarHBondContact CA-OD1 3.4Å; R71-N76 PolarHBondContact O-OD1 2.85Å; R71-E77 WeakPolarHBondContact CG-O 3.18Å; R71-E77 PolarHBondContact N-O 3.48Å; R71-N121 WeakPolarHBondContact CB-ND2 3.45Å; R71-N121 PolarHBondContact NH2-O 3.47Å; R71-D124 VanDerWaalsContact NH1-CG 3.26Å; R71-D124 PolarHBondContact NH1-O 2.91Å; R71-D124 IonicContact NH1-OD1 3.83Å; R71-D124 IonicContact NH1-OD2 3.58Å; R71-D124 PolarHBondContact NH1-OD2 2.86Å; R71-D124 PolarHBondContact NH2-O 3.14Å; R71-G127 VanDerWaalsContact NH1-CA 3.26Å
72N82.2Confident83.2Confident5 Ų556.4 Ų56.43%0.02729%0.293CS..G310 helixtrans-85.5-1.6178.8-65.1-26.2000113.1A66 D69 K70 H95 F118 N121A66-N72 PolarHBondContact O-ND2 3.13Å; D69-N72 PolarHBondContact O-N 3.11Å; K70-N72 PolarHBondContact O-N 3.42Å; N72-H95 PolarHBondContact O-NE2 2.82Å; N72-F118 HydrophobicContact CB-CD2 4.03Å; N72-F118 HydrophobicContact CB-CE2 4.06Å; N72-F118 WeakPolarHBondContact ND2-CE2 3.28Å; N72-N121 PolarHBondContact OD1-ND2 2.95Å
73Q82.9Confident83.3Confident21 Ų2158.9 Ų58.910%0.09831%0.305CS..SBendtrans-95.4175.7173.8-54.1-59.3-3000111.7K70 R71 D75 N76 Y81 E88K70-Q73 WeakPolarHBondContact O-CB 3.46Å; K70-Q73 PolarHBondContact O-N 3.35Å; K70-Q73 VanDerWaalsContact O-N 3.08Å; R71-Q73 VanDerWaalsContact C-N 3.27Å; Q73-D75 VanDerWaalsContact C-N 3.28Å; Q73-D75 PolarHBondContact O-N 3.39Å; Q73-N76 PolarHBondContact O-N 2.91Å; Q73-Y81 HydrophobicContact CG-CE2 3.82Å; Q73-E88 PolarHBondContact NE2-O 3.43Å
74L67.8Low83.5Confident111 Ų11157 Ų5758%0.58130%0.295SS*.THydrogen-bonded Turntrans-63.3-31.4-177.4-72.1167.1000113.9K18 N76 M91K18-L74 HydrophobicContact CD-CD1 4.37Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-M91 HydrophobicContact CD1-CE 3.93Å; L74-M91 HydrophobicContact CD1-SD 4.17Å; L74-M91 HydrophobicContact CD2-CE 3.85Å; L74-M91 HydrophobicContact CG-CE 3.67Å; L74-M91 HydrophobicContact CG-SD 4.45Å
75D67.1Low83.5Confident124 Ų12457.4 Ų57.466%0.66330%0.301SS*.THydrogen-bonded Turntrans-85.9-7.4-172-59.7-36.5000113.1Q73 E77Q73-D75 VanDerWaalsContact C-N 3.28Å; Q73-D75 PolarHBondContact O-N 3.39Å; D75-E77 HydrophobicContact CB-CG 4.1Å; D75-E77 PolarHBondContact O-N 3.38Å
76N70Confident83.5Confident101 Ų10155 Ų5554%0.5429%0.29SS..  trans44.838179.2-162.936.9000113.6R71 Q73 L74R71-N76 WeakPolarHBondContact CA-OD1 3.4Å; R71-N76 PolarHBondContact O-OD1 2.85Å; Q73-N76 PolarHBondContact O-N 2.91Å; L74-N76 VanDerWaalsContact C-N 3.33Å
77E77.1Confident83.5Confident100 Ų10058.3 Ų58.347%0.46731%0.305SS..  trans-75.6149.8179.2-67.6-168.9158.500111K70 R71 D75K70-E77 CarbonylContact C-O 3.56Å; K70-E77 HydrophobicContact CB-CB 4.13Å; K70-E77 WeakPolarHBondContact CB-O 3Å; K70-E77 HydrophobicContact CD-CB 4.13Å; K70-E77 IonicContact NZ-OE2 2.95Å; K70-E77 PolarHBondContact NZ-OE2 3.17Å; R71-E77 WeakPolarHBondContact CG-O 3.18Å; R71-E77 PolarHBondContact N-O 3.48Å; D75-E77 HydrophobicContact CB-CG 4.1Å; D75-E77 PolarHBondContact O-N 3.38Å
78L77.7Confident83.4Confident126 Ų12659.8 Ų59.866%0.6631%0.312SS*.SBendtrans-73.8142.1170.7-78.1159.2000111
79G83.2Confident83.4Confident42 Ų4260 Ų6043%0.43331%0.313SS..SBendtrans113.1-175.2175.300000113.6K70K70-G79 WeakPolarHBondContact CB-O 3.47Å; K70-G79 PolarHBondContact N-O 3.02Å
80S85.6Confident83.4Confident68 Ų6859.5 Ų59.548%0.47631%0.31SS..BIsolated β-bridgetrans-128.7151.8179.465.80000112.1R45 F68R45-S80 PolarHBondContact NH2-OG 3.47Å; F68-S80 CarbonylContact O-C 3.52Å; F68-S80 WeakPolarHBondContact O-CA 3.22Å; F68-S80 WeakPolarHBondContact O-CB 3.22Å
81Y86.6Confident83.4Confident61 Ų6157.7 Ų57.724%0.23930%0.303CS..  trans-77.9145.2168.6-65.3-75.7000110.3R45 F68 K70 Q73 I84R45-Y81 PolarHBondContact NH1-O 2.71Å; R45-Y81 PolarHBondContact NH2-O 2.96Å; F68-Y81 WeakPolarHBondContact CD1-O 3.47Å; F68-Y81 WeakPolarHBondContact O-CD2 3.32Å; F68-Y81 PolarHBondContact O-N 3.35Å; K70-Y81 HydrophobicContact CB-CE2 4.22Å; K70-Y81 HydrophobicContact CG-CD2 3.78Å; K70-Y81 HydrophobicContact CG-CE1 4.27Å; K70-Y81 HydrophobicContact CG-CE2 3.43Å; K70-Y81 VanDerWaalsContact CG-CE2 3.43Å; K70-Y81 HydrophobicContact CG-CG 4.34Å; Q73-Y81 HydrophobicContact CG-CE2 3.82Å; Y81-I84 HydrophobicContact CD2-CG2 4.06Å; Y81-I84 HydrophobicContact CG-CG2 4.13Å
82E87.4Confident83.6Confident167 Ų16756.1 Ų56.178%0.7830%0.297SS*.SBendtrans-75.4-40.2167.4-67-172.6169.100110.9
83E90.5Very high83.8Confident69 Ų6956.5 Ų56.532%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-137.2146.5177.2-40.5-171.1163.800110T42 L43 R44T42-E83 VanDerWaalsContact CB-OE2 3.26Å; T42-E83 WeakPolarHBondContact CB-OE2 3.49Å; T42-E83 HydrophobicContact CG2-CB 4.48Å; T42-E83 PolarHBondContact OG1-OE2 2.83Å; L43-E83 WeakPolarHBondContact O-CA 3.36Å; R44-E83 HydrophobicContact CG-CB 4.48Å; R44-E83 HydrophobicContact CG-CG 3.97Å; R44-E83 IonicContact CZ-OE1 3.92Å; R44-E83 IonicContact NE-OE1 3.92Å; R44-E83 PolarHBondContact NE-OE1 3.14Å; R44-E83 IonicContact NH2-OE1 2.77Å; R44-E83 PolarHBondContact NH2-OE1 3.39Å
84I91.1Very high83.9Confident1 Ų155.9 Ų55.91%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-117.5144.5177.263.3175.6000111.1T42 L43 F67 F68 Y81 E88 F89T42-I84 CarbonylContact C-O 3.51Å; T42-I84 WeakPolarHBondContact CA-O 3.3Å; L43-I84 HydrophobicContact CB-CG1 3.88Å; L43-I84 HydrophobicContact CD2-CD1 4.13Å; L43-I84 HydrophobicContact CD2-CG1 4.29Å; L43-I84 PolarHBondContact N-O 3.06Å; L43-I84 PolarHBondContact O-N 3.17Å; F67-I84 HydrophobicContact CB-CD1 4.12Å; F67-I84 HydrophobicContact CD1-CD1 4.14Å; F68-I84 HydrophobicContact CD1-CG2 3.74Å; F68-I84 HydrophobicContact CE1-CB 4.47Å; F68-I84 HydrophobicContact CE1-CD1 4.44Å; F68-I84 HydrophobicContact CE1-CG1 4.02Å; F68-I84 HydrophobicContact CE1-CG2 4.03Å; F68-I84 HydrophobicContact CZ-CG1 4.41Å; Y81-I84 HydrophobicContact CD2-CG2 4.06Å; Y81-I84 HydrophobicContact CG-CG2 4.13Å; I84-E88 HydrophobicContact CB-CB 3.92Å; I84-E88 HydrophobicContact CG2-CB 4.23Å; I84-F89 HydrophobicContact CD1-CB 4.43Å
85G90.1Very high84.7Confident16 Ų1652 Ų5217%0.16528%0.275CS..  trans-85.5-173.4171.800000112.1F33 E87 E88 F89F33-G85 WeakPolarHBondContact CE2-O 3.4Å; G85-E87 VanDerWaalsContact C-N 3.34Å; G85-E88 WeakPolarHBondContact CA-OE2 3.47Å; G85-E88 PolarHBondContact N-OE2 2.9Å; G85-F89 WeakPolarHBondContact O-CB 3.45Å; G85-F89 PolarHBondContact O-N 2.63Å; G85-F89 VanDerWaalsContact O-N 3.14Å
86F88.9Confident85.5Confident20 Ų2048.1 Ų48.19%0.08825%0.253CS..Hα-helixtrans-68.8-32.8177.8179.7-119.9000112.7Y12 M15 I26 L29 H30 F33 F89 L90Y12-F86 HydrophobicContact CD1-CE1 4.44Å; Y12-F86 AromaticContact CE1-CE1 3.95Å; Y12-F86 HydrophobicContact CE1-CE1 3.95Å; M15-F86 HydrophobicContact CE-CD1 3.9Å; M15-F86 HydrophobicContact CE-CE1 4.35Å; M15-F86 HydrophobicContact SD-CD1 3.83Å; M15-F86 HydrophobicContact SD-CE1 3.65Å; I26-F86 HydrophobicContact CG2-CE1 3.9Å; I26-F86 HydrophobicContact CG2-CZ 3.85Å; L29-F86 HydrophobicContact CB-CE2 4.34Å; H30-F86 HydrophobicContact CB-CD2 4.45Å; H30-F86 HydrophobicContact CB-CE1 4.02Å; H30-F86 HydrophobicContact CB-CE2 3.72Å; H30-F86 HydrophobicContact CB-CZ 3.44Å; H30-F86 VanDerWaalsContact CB-CZ 3.44Å; H30-F86 AromaticContact CE1-CD1 3.93Å; H30-F86 AromaticContact CG-CE1 4Å; H30-F86 AromaticContact CG-CZ 3.86Å; H30-F86 AromaticContact ND1-CD1 3.23Å; H30-F86 WeakPolarHBondContact ND1-CD1 3.23Å; H30-F86 AromaticContact ND1-CD2 3.79Å; H30-F86 AromaticContact ND1-CE1 3.19Å; H30-F86 WeakPolarHBondContact ND1-CE1 3.4Å; H30-F86 AromaticContact ND1-CE2 3.79Å; H30-F86 AromaticContact ND1-CG 3.53Å; H30-F86 AromaticContact ND1-CZ 3.49Å; H30-F86 WeakPolarHBondContact ND1-CZ 3.47Å; F33-F86 HydrophobicContact CB-CD2 3.8Å; F33-F86 HydrophobicContact CB-CE2 4.19Å; F33-F86 HydrophobicContact CD1-CB 4.3Å; F33-F86 HydrophobicContact CD1-CD2 4.22Å; F33-F86 HydrophobicContact CD2-CD2 4.21Å; F33-F86 HydrophobicContact CE1-CB 4.26Å; F33-F86 AromaticContact CG-CD2 3.82Å; F33-F86 HydrophobicContact CG-CD2 3.82Å; F33-F86 HydrophobicContact CZ-CB 4.4Å; F86-F89 HydrophobicContact CD2-CD1 4.38Å; F86-F89 HydrophobicContact CE2-CD1 4.41Å; F86-F89 PolarHBondContact O-N 3.28Å; F86-L90 HydrophobicContact CD1-CD1 3.99Å; F86-L90 HydrophobicContact CD1-CG 4.41Å; F86-L90 HydrophobicContact CD2-CG 4.25Å; F86-L90 HydrophobicContact CE1-CD1 3.42Å; F86-L90 VanDerWaalsContact CE1-CD1 3.42Å; F86-L90 HydrophobicContact CE1-CD2 4.47Å; F86-L90 HydrophobicContact CE1-CG 3.95Å; F86-L90 HydrophobicContact CE2-CD1 4.15Å; F86-L90 HydrophobicContact CE2-CD2 3.86Å; F86-L90 HydrophobicContact CE2-CG 3.73Å; F86-L90 HydrophobicContact CZ-CD1 3.51Å; F86-L90 HydrophobicContact CZ-CD2 3.69Å; F86-L90 HydrophobicContact CZ-CG 3.58Å; F86-L90 WeakPolarHBondContact O-CG 3.36Å; F86-L90 PolarHBondContact O-N 3.17Å
87E87.4Confident86Confident72 Ų7245.5 Ų45.534%0.33624%0.235SC..Hα-helixtrans-65.8-49.5178.9-175.4167.3-174.900110.9M15 K18 G85 F89 L90 M91M15-E87 HydrophobicContact CE-CB 4.27Å; K18-E87 IonicContact NZ-OE1 3.72Å; K18-E87 PolarHBondContact NZ-OE1 3.16Å; G85-E87 VanDerWaalsContact C-N 3.34Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.29Å; E87-L90 WeakPolarHBondContact O-CB 3.23Å; E87-L90 PolarHBondContact O-N 3.45Å; E87-L90 VanDerWaalsContact O-N 3.14Å; E87-M91 WeakPolarHBondContact O-CG 3.48Å; E87-M91 PolarHBondContact O-N 3.19Å
88E88.4Confident85.8Confident54 Ų5442.2 Ų42.225%0.25222%0.223SC..Hα-helixtrans-62.8-38.2177.7-63.876.8-159.600111.6Q73 I84 G85 M91 V92Q73-E88 PolarHBondContact NE2-O 3.43Å; I84-E88 HydrophobicContact CB-CB 3.92Å; I84-E88 HydrophobicContact CG2-CB 4.23Å; G85-E88 WeakPolarHBondContact CA-OE2 3.47Å; G85-E88 PolarHBondContact N-OE2 2.9Å; E88-M91 PolarHBondContact O-N 2.62Å; E88-V92 WeakPolarHBondContact O-CG2 3.34Å; E88-V92 PolarHBondContact O-N 3.35Å; E88-V92 VanDerWaalsContact O-N 3.17Å
89F89Confident85.4Confident6 Ų638.5 Ų38.53%0.02620%0.203CC..Hα-helixtrans-60.5-46.1173.4177.2-94.8000111.6L29 F33 L36 L43 F67 I84 G85 F86 E87 M91 V92 M93L29-F89 HydrophobicContact CB-CE1 4.45Å; L29-F89 HydrophobicContact CD2-CE1 4.21Å; F33-F89 HydrophobicContact CB-CD1 4.31Å; F33-F89 HydrophobicContact CB-CE1 4.39Å; F33-F89 HydrophobicContact CD2-CB 3.75Å; F33-F89 HydrophobicContact CD2-CD1 4.02Å; F33-F89 HydrophobicContact CD2-CD2 4.05Å; F33-F89 AromaticContact CD2-CG 3.67Å; F33-F89 HydrophobicContact CD2-CG 3.67Å; F33-F89 HydrophobicContact CE2-CB 3.95Å; F33-F89 HydrophobicContact CE2-CG 4.32Å; L36-F89 HydrophobicContact CD1-CE2 4.33Å; L36-F89 HydrophobicContact CD1-CZ 4.48Å; L43-F89 HydrophobicContact CD2-CD2 4.14Å; F67-F89 AromaticContact CD1-CD2 3.96Å; F67-F89 HydrophobicContact CD1-CD2 3.96Å; F67-F89 HydrophobicContact CD1-CE2 4.3Å; F67-F89 AromaticContact CE1-CD2 3.61Å; F67-F89 HydrophobicContact CE1-CD2 3.61Å; F67-F89 AromaticContact CE1-CE2 3.58Å; F67-F89 HydrophobicContact CE1-CE2 3.58Å; F67-F89 HydrophobicContact CZ-CE2 4.26Å; I84-F89 HydrophobicContact CD1-CB 4.43Å; G85-F89 WeakPolarHBondContact O-CB 3.45Å; G85-F89 PolarHBondContact O-N 2.63Å; G85-F89 VanDerWaalsContact O-N 3.14Å; F86-F89 HydrophobicContact CD2-CD1 4.38Å; F86-F89 HydrophobicContact CE2-CD1 4.41Å; F86-F89 PolarHBondContact O-N 3.28Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.29Å; F89-M91 VanDerWaalsContact C-N 3.33Å; F89-M91 PolarHBondContact O-N 3.05Å; F89-V92 PolarHBondContact O-N 3.45Å; F89-M93 HydrophobicContact CD1-CG 4.09Å; F89-M93 HydrophobicContact CE1-CG 3.69Å; F89-M93 HydrophobicContact CE1-SD 4.5Å; F89-M93 HydrophobicContact CE2-CG 4.4Å; F89-M93 HydrophobicContact CZ-CG 3.86Å; F89-M93 HydrophobicContact CZ-SD 4.09Å; F89-M93 VanDerWaalsContact O-CG 3.3Å; F89-M93 WeakPolarHBondContact O-CG 3.44Å; F89-M93 PolarHBondContact O-N 3.27Å
90L88.1Confident84.5Confident1 Ų140 Ų401%0.00521%0.207CC..Hα-helixtrans-63.6-38.8177.4-77.2178.3000112.5M15 T19 I26 L29 F86 E87 V92 M93 S94M15-L90 HydrophobicContact CB-CD1 3.97Å; M15-L90 HydrophobicContact CG-CD1 3.92Å; M15-L90 HydrophobicContact SD-CD1 3.49Å; M15-L90 WeakPolarHBondContact SD-CD1 3.43Å; T19-L90 HydrophobicContact CG2-CB 4.09Å; I26-L90 HydrophobicContact CG2-CD1 3.97Å; L29-L90 HydrophobicContact CB-CD2 3.74Å; L29-L90 HydrophobicContact CD1-CD2 3.51Å; L29-L90 HydrophobicContact CG-CD2 4.26Å; F86-L90 HydrophobicContact CD1-CD1 3.99Å; F86-L90 HydrophobicContact CD1-CG 4.41Å; F86-L90 HydrophobicContact CD2-CG 4.25Å; F86-L90 HydrophobicContact CE1-CD1 3.42Å; F86-L90 VanDerWaalsContact CE1-CD1 3.42Å; F86-L90 HydrophobicContact CE1-CD2 4.47Å; F86-L90 HydrophobicContact CE1-CG 3.95Å; F86-L90 HydrophobicContact CE2-CD1 4.15Å; F86-L90 HydrophobicContact CE2-CD2 3.86Å; F86-L90 HydrophobicContact CE2-CG 3.73Å; F86-L90 HydrophobicContact CZ-CD1 3.51Å; F86-L90 HydrophobicContact CZ-CD2 3.69Å; F86-L90 HydrophobicContact CZ-CG 3.58Å; F86-L90 WeakPolarHBondContact O-CG 3.36Å; F86-L90 PolarHBondContact O-N 3.17Å; E87-L90 WeakPolarHBondContact O-CB 3.23Å; E87-L90 PolarHBondContact O-N 3.45Å; E87-L90 VanDerWaalsContact O-N 3.14Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 3.32Å; L90-M93 PolarHBondContact O-N 3.32Å; L90-S94 WeakPolarHBondContact O-CB 3.28Å; L90-S94 PolarHBondContact O-N 2.81Å
91M87.2Confident83.1Confident14 Ų1445.4 Ų45.47%0.06923%0.228CC..Hα-helixtrans-59-45.9177.1-71.7-41.6-52.800111.4K18 T19 L74 E87 E88 F89 S94K18-M91 HydrophobicContact CB-SD 4.29Å; T19-M91 HydrophobicContact CG2-CE 4.48Å; T19-M91 HydrophobicContact CG2-SD 3.61Å; L74-M91 HydrophobicContact CD1-CE 3.93Å; L74-M91 HydrophobicContact CD1-SD 4.17Å; L74-M91 HydrophobicContact CD2-CE 3.85Å; L74-M91 HydrophobicContact CG-CE 3.67Å; L74-M91 HydrophobicContact CG-SD 4.45Å; E87-M91 WeakPolarHBondContact O-CG 3.48Å; E87-M91 PolarHBondContact O-N 3.19Å; E88-M91 PolarHBondContact O-N 2.62Å; F89-M91 VanDerWaalsContact C-N 3.33Å; F89-M91 PolarHBondContact O-N 3.05Å; M91-S94 VanDerWaalsContact O-CB 3.23Å; M91-S94 WeakPolarHBondContact O-CB 3.49Å; M91-S94 PolarHBondContact O-N 3.4Å; M91-S94 VanDerWaalsContact O-N 3.16Å; M91-S94 PolarHBondContact O-OG 2.93Å
92V87.6Confident81.9Confident0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-63-45.7175.9174.80000111F67 E88 F89 L90 S94 H95 F96 F118F67-V92 HydrophobicContact CD1-CB 3.96Å; F67-V92 HydrophobicContact CD1-CG1 3.68Å; F67-V92 HydrophobicContact CD1-CG2 4.31Å; F67-V92 HydrophobicContact CD2-CG1 4.36Å; F67-V92 HydrophobicContact CE1-CB 4.02Å; F67-V92 HydrophobicContact CE1-CG1 3.61Å; F67-V92 HydrophobicContact CE2-CG1 4.3Å; F67-V92 HydrophobicContact CG-CG1 4.06Å; F67-V92 HydrophobicContact CZ-CG1 3.94Å; E88-V92 WeakPolarHBondContact O-CG2 3.34Å; E88-V92 PolarHBondContact O-N 3.35Å; E88-V92 VanDerWaalsContact O-N 3.17Å; F89-V92 PolarHBondContact O-N 3.45Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 3.32Å; V92-S94 PolarHBondContact O-N 3.39Å; V92-S94 VanDerWaalsContact O-N 3.17Å; V92-H95 PolarHBondContact O-CD2 3.41Å; V92-H95 PolarHBondContact O-N 3.45Å; V92-F96 HydrophobicContact CG1-CE2 4.43Å; V92-F96 WeakPolarHBondContact O-CD2 3.31Å; V92-F118 HydrophobicContact CG1-CE2 3.94Å; V92-F118 HydrophobicContact CG1-CZ 4.21Å
93M86.5Confident80.8Confident13 Ų1344.9 Ų44.96%0.06423%0.227CC..Hα-helixtrans-60.8-27.4177.2-69.9-57.4-5900112.6F21 L29 F67 F89 L90 H95 F96 F205 L206F21-M93 HydrophobicContact CE2-CB 4.2Å; F21-M93 HydrophobicContact CZ-CB 4.19Å; L29-M93 HydrophobicContact CD1-CB 4.33Å; L29-M93 HydrophobicContact CD2-CE 3.93Å; L29-M93 HydrophobicContact CD2-CG 4.2Å; F67-M93 HydrophobicContact CE1-SD 4.25Å; F67-M93 HydrophobicContact CZ-SD 4.02Å; F89-M93 HydrophobicContact CD1-CG 4.09Å; F89-M93 HydrophobicContact CE1-CG 3.69Å; F89-M93 HydrophobicContact CE1-SD 4.5Å; F89-M93 HydrophobicContact CE2-CG 4.4Å; F89-M93 HydrophobicContact CZ-CG 3.86Å; F89-M93 HydrophobicContact CZ-SD 4.09Å; F89-M93 VanDerWaalsContact O-CG 3.3Å; F89-M93 WeakPolarHBondContact O-CG 3.44Å; F89-M93 PolarHBondContact O-N 3.27Å; L90-M93 PolarHBondContact O-N 3.32Å; M93-H95 PolarHBondContact O-N 3.35Å; M93-F96 PolarHBondContact O-N 3.25Å; M93-F205 HydrophobicContact CE-CE2 4.45Å; M93-F205 HydrophobicContact CE-CZ 4Å; M93-L206 HydrophobicContact CE-CD1 4.24Å; M93-L206 HydrophobicContact CE-CD2 4.33Å
94S85.6Confident80.2Confident8 Ų843.8 Ų43.86%0.05623%0.227CC..Hα-helixtrans-64.6-26.1-17993.50000112.8L90 M91 V92 F96 R97L90-S94 WeakPolarHBondContact O-CB 3.28Å; L90-S94 PolarHBondContact O-N 2.81Å; M91-S94 VanDerWaalsContact O-CB 3.23Å; M91-S94 WeakPolarHBondContact O-CB 3.49Å; M91-S94 PolarHBondContact O-N 3.4Å; M91-S94 VanDerWaalsContact O-N 3.16Å; M91-S94 PolarHBondContact O-OG 2.93Å; V92-S94 PolarHBondContact O-N 3.39Å; V92-S94 VanDerWaalsContact O-N 3.17Å; S94-F96 PolarHBondContact O-N 3.04Å; S94-R97 WeakPolarHBondContact O-CB 3.4Å; S94-R97 WeakPolarHBondContact O-CG 3.26Å; S94-R97 PolarHBondContact O-N 2.84Å; S94-R97 PolarHBondContact O-NE 2.86Å
95H84.2Confident79.6Confident29 Ų2949.3 Ų49.313%0.13425%0.253CS..THydrogen-bonded Turntrans-67.7-24.4174.1-63.3-62.6000112.5N72 V92 M93 R97 K115 F118N72-H95 PolarHBondContact O-NE2 2.82Å; V92-H95 PolarHBondContact O-CD2 3.41Å; V92-H95 PolarHBondContact O-N 3.45Å; M93-H95 PolarHBondContact O-N 3.35Å; H95-R97 VanDerWaalsContact C-N 3.35Å; H95-K115 WeakPolarHBondContact O-CE 3.41Å; H95-K115 VanDerWaalsContact O-CG 3.3Å; H95-K115 WeakPolarHBondContact O-CG 3.43Å; H95-F118 HydrophobicContact CB-CD2 4.32Å; H95-F118 HydrophobicContact CB-CG 4.36Å; H95-F118 AromaticContact CD2-CD2 3.53Å; H95-F118 AromaticContact CG-CD2 3.98Å
96F83.1Confident79.1Confident42 Ų4255.2 Ų55.218%0.18428%0.276CS..THydrogen-bonded Turntrans-95.715.1-178.8-61.2-84.1000113.7V92 M93 S94 F118 M201 H202 V203V92-F96 HydrophobicContact CG1-CE2 4.43Å; V92-F96 WeakPolarHBondContact O-CD2 3.31Å; M93-F96 PolarHBondContact O-N 3.25Å; S94-F96 PolarHBondContact O-N 3.04Å; F96-F118 HydrophobicContact CE1-CE1 4.46Å; F96-F118 AromaticContact CE2-CE1 3.98Å; F96-F118 HydrophobicContact CE2-CE1 3.98Å; F96-F118 AromaticContact CE2-CZ 3.87Å; F96-F118 HydrophobicContact CE2-CZ 3.87Å; F96-F118 HydrophobicContact CZ-CD1 4.21Å; F96-F118 AromaticContact CZ-CE1 3.49Å; F96-F118 HydrophobicContact CZ-CE1 3.49Å; F96-F118 VanDerWaalsContact CZ-CE1 3.49Å; F96-F118 AromaticContact CZ-CZ 3.82Å; F96-F118 HydrophobicContact CZ-CZ 3.82Å; F96-M201 HydrophobicContact CD1-CE 3.93Å; F96-M201 HydrophobicContact CD1-CG 3.87Å; F96-M201 HydrophobicContact CE1-CE 3.37Å; F96-M201 HydrophobicContact CE1-CG 3.92Å; F96-M201 HydrophobicContact CE1-SD 4.49Å; F96-M201 HydrophobicContact CE2-CE 4.48Å; F96-M201 HydrophobicContact CZ-CE 3.7Å; F96-H202 VanDerWaalsContact O-CA 3.28Å; F96-H202 WeakPolarHBondContact O-CA 3.44Å; F96-V203 HydrophobicContact CB-CB 4.31Å; F96-V203 HydrophobicContact CB-CG2 3.74Å; F96-V203 HydrophobicContact CD1-CG2 4.28Å; F96-V203 HydrophobicContact CG-CG2 4.14Å; F96-V203 PolarHBondContact O-N 3.25Å; F96-V203 VanDerWaalsContact O-N 3.1Å
97R80.6Confident78.6Confident47 Ų4759.2 Ų59.218%0.17730%0.295CS..PPolyproline II helixtrans-64.4136.9177.4-79.7-179.7-72.9164.1-14.6111T19 F21 S94 H95 M111 K115T19-R97 VanDerWaalsContact O-CD 3.31Å; T19-R97 WeakPolarHBondContact O-CD 3.46Å; T19-R97 PolarHBondContact O-NE 2.73Å; T19-R97 PolarHBondContact O-NH1 3.49Å; T19-R97 PolarHBondContact O-NH2 2.98Å; T19-R97 VanDerWaalsContact O-NH2 3.17Å; F21-R97 HydrophobicContact CD1-CG 4Å; F21-R97 HydrophobicContact CE1-CG 3.27Å; F21-R97 HydrophobicContact CE2-CG 4.3Å; F21-R97 HydrophobicContact CZ-CG 3.45Å; F21-R97 VanDerWaalsContact CZ-CG 3.45Å; S94-R97 WeakPolarHBondContact O-CB 3.4Å; S94-R97 WeakPolarHBondContact O-CG 3.26Å; S94-R97 PolarHBondContact O-N 2.84Å; S94-R97 PolarHBondContact O-NE 2.86Å; H95-R97 VanDerWaalsContact C-N 3.35Å; R97-M111 HydrophobicContact CB-CE 4.06Å; R97-K115 PolarHBondContact O-NZ 3.17Å
98P73.7Confident78.2Confident31 Ų3159.7 Ų59.720%0.20129%0.294CS..PPolyproline II helixtrans-65.4150.8169.829.2-33000109.5S100 H202 D207P98-S100 PolarHBondContact O-N 2.84Å; P98-H202 HydrophobicContact CB-CB 4.19Å; P98-D207 HydrophobicContact CG-CB 4.49Å
99L67.9Low77.8Confident48 Ų4861.1 Ų61.125%0.25131%0.307SS..PPolyproline II helixtrans-64.8134168.5-74.9178.3000109.9T103 R108 M111 E198L99-T103 HydrophobicContact CD2-CG2 4.38Å; L99-R108 HydrophobicContact CD2-CG 4.15Å; L99-M111 HydrophobicContact CD2-SD 3.8Å; L99-E198 HydrophobicContact CD1-CB 3.64Å; L99-E198 HydrophobicContact CD1-CG 3.27Å; L99-E198 HydrophobicContact CD2-CB 4.07Å; L99-E198 HydrophobicContact CD2-CG 4.48Å; L99-E198 HydrophobicContact CG-CB 3.92Å; L99-E198 HydrophobicContact CG-CG 4.13Å
100S64.4Low77.5Confident73 Ų7363.2 Ų63.251%0.5133%0.325SS..PPolyproline II helixtrans-82.4145.1168.4-175.60000109.3P98 K102 T103P98-S100 PolarHBondContact O-N 2.84Å; S100-K102 PolarHBondContact O-N 3.34Å; S100-T103 PolarHBondContact N-OG1 2.93Å; S100-T103 WeakPolarHBondContact O-CB 3.2Å; S100-T103 PolarHBondContact O-N 2.74Å; S100-T103 VanDerWaalsContact O-N 3.07Å; S100-T103 PolarHBondContact O-OG1 3.48Å
101I57.7Low77.2Confident181 Ų18164.7 Ų64.793%0.92833%0.332SS*.THydrogen-bonded Turntrans-59.9-16.4177.4-60.7169.4000111.7
102K60.3Low77.1Confident192 Ų19265.9 Ų65.984%0.83534%0.336SS*.THydrogen-bonded Turntrans-97.31-179.3-62.3-176.3179.1-179.40114.7S100S100-K102 PolarHBondContact O-N 3.34Å
103T65.2Low77Confident26 Ų2671.9 Ų71.916%0.1636%0.358CS..  trans-70.9130.7-174.6-58.80000110.5L99 S100 E107 R108 M111L99-T103 HydrophobicContact CD2-CG2 4.38Å; S100-T103 PolarHBondContact N-OG1 2.93Å; S100-T103 WeakPolarHBondContact O-CB 3.2Å; S100-T103 PolarHBondContact O-N 2.74Å; S100-T103 VanDerWaalsContact O-N 3.07Å; S100-T103 PolarHBondContact O-OG1 3.48Å; T103-E107 WeakPolarHBondContact CA-OE2 3.47Å; T103-E107 HydrophobicContact CG2-CB 3.35Å; T103-E107 HydrophobicContact CG2-CG 4.45Å; T103-E107 WeakPolarHBondContact CG2-OE2 3.49Å; T103-R108 HydrophobicContact CG2-CG 3.77Å; T103-M111 HydrophobicContact CG2-SD 4.41Å
104S78.1Confident77Confident46 Ų4676 Ų7632%0.32238%0.378SS..  trans-69.3162.6178.390.20000111.5E106 E107 R108S104-E106 VanDerWaalsContact CB-OE2 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.11Å; S104-E106 PolarHBondContact O-N 2.89Å; S104-E106 PolarHBondContact OG-N 3.41Å; S104-E106 PolarHBondContact OG-OE2 2.94Å; S104-E107 PolarHBondContact N-OE2 2.94Å; S104-E107 VanDerWaalsContact N-OE2 3.15Å; S104-E107 PolarHBondContact O-N 3.19Å; S104-E107 PolarHBondContact OG-N 2.77Å; S104-R108 VanDerWaalsContact O-CG 3.3Å; S104-R108 WeakPolarHBondContact O-CG 3.4Å; S104-R108 PolarHBondContact O-N 3.42Å
105E77.8Confident77.1Confident116 Ų11675.8 Ų75.854%0.54238%0.376SS..Hα-helixtrans-61.9-33.4177.3-69.8-63.3120.900112R108 T109E105-R108 PolarHBondContact O-N 2.91Å; E105-R108 WeakPolarHBondContact OE1-CD 3.35Å; E105-R108 IonicContact OE1-CZ 2.65Å; E105-R108 IonicContact OE1-NE 3.37Å; E105-R108 IonicContact OE1-NH1 3.15Å; E105-R108 PolarHBondContact OE1-NH1 3.26Å; E105-R108 IonicContact OE2-NH1 2.69Å; E105-T109 WeakPolarHBondContact O-CB 3.45Å; E105-T109 PolarHBondContact O-N 3.39Å; E105-T109 PolarHBondContact O-OG1 3.16Å
106E79.6Confident77.3Confident140 Ų14074.4 Ų74.465%0.65437%0.369SS*.Hα-helixtrans-66.1-44.9174.1-58.277.4-166.800111.6S104 T109 A110S104-E106 VanDerWaalsContact CB-OE2 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.11Å; S104-E106 PolarHBondContact O-N 2.89Å; S104-E106 PolarHBondContact OG-N 3.41Å; S104-E106 PolarHBondContact OG-OE2 2.94Å; E106-T109 PolarHBondContact O-N 3.25Å; E106-A110 WeakPolarHBondContact O-CB 3.46Å; E106-A110 PolarHBondContact O-N 3.35Å
107E77.4Confident77.5Confident105 Ų10576.1 Ų76.149%0.49138%0.375SS..Hα-helixtrans-66.1-39.2176.7-70.7-179.8151.400111.6T103 S104 T109 A110 M111T103-E107 WeakPolarHBondContact CA-OE2 3.47Å; T103-E107 HydrophobicContact CG2-CB 3.35Å; T103-E107 HydrophobicContact CG2-CG 4.45Å; T103-E107 WeakPolarHBondContact CG2-OE2 3.49Å; S104-E107 PolarHBondContact N-OE2 2.94Å; S104-E107 VanDerWaalsContact N-OE2 3.15Å; S104-E107 PolarHBondContact O-N 3.19Å; S104-E107 PolarHBondContact OG-N 2.77Å; E107-T109 VanDerWaalsContact C-N 3.33Å; E107-T109 PolarHBondContact O-N 3.42Å; E107-A110 PolarHBondContact O-N 2.95Å; E107-M111 WeakPolarHBondContact O-CB 3.32Å; E107-M111 VanDerWaalsContact O-CG 3.31Å; E107-M111 WeakPolarHBondContact O-CG 3.3Å; E107-M111 PolarHBondContact O-N 2.97Å
108R79.7Confident77.9Confident81 Ų8174.3 Ų74.331%0.30637%0.368SS..Hα-helixtrans-59.6-45.5174.4-73.5177.471.7-176.52.6110.9L99 T103 S104 E105 M111 R112L99-R108 HydrophobicContact CD2-CG 4.15Å; T103-R108 HydrophobicContact CG2-CG 3.77Å; S104-R108 VanDerWaalsContact O-CG 3.3Å; S104-R108 WeakPolarHBondContact O-CG 3.4Å; S104-R108 PolarHBondContact O-N 3.42Å; E105-R108 PolarHBondContact O-N 2.91Å; E105-R108 WeakPolarHBondContact OE1-CD 3.35Å; E105-R108 IonicContact OE1-CZ 2.65Å; E105-R108 IonicContact OE1-NE 3.37Å; E105-R108 IonicContact OE1-NH1 3.15Å; E105-R108 PolarHBondContact OE1-NH1 3.26Å; E105-R108 IonicContact OE2-NH1 2.69Å; R108-M111 PolarHBondContact O-N 3.43Å; R108-R112 VanDerWaalsContact O-CB 3.23Å; R108-R112 WeakPolarHBondContact O-CB 3.31Å; R108-R112 PolarHBondContact O-N 2.91Å
109T81Confident78.6Confident85 Ų8574.5 Ų74.552%0.52137%0.367SS..Hα-helixtrans-64.9-41.7178-54.70000111.3E105 E106 E107 R112 R113E105-T109 WeakPolarHBondContact O-CB 3.45Å; E105-T109 PolarHBondContact O-N 3.39Å; E105-T109 PolarHBondContact O-OG1 3.16Å; E106-T109 PolarHBondContact O-N 3.25Å; E107-T109 VanDerWaalsContact C-N 3.33Å; E107-T109 PolarHBondContact O-N 3.42Å; T109-R112 PolarHBondContact O-N 2.94Å; T109-R113 WeakPolarHBondContact O-CB 3.29Å; T109-R113 PolarHBondContact O-N 3.44Å
110A82.4Confident79.6Confident50 Ų5072.3 Ų72.341%0.41336%0.356SS..Hα-helixtrans-63.9-46.3176.200000112.3E106 E107 R112 R113 Q114E106-A110 WeakPolarHBondContact O-CB 3.46Å; E106-A110 PolarHBondContact O-N 3.35Å; E107-A110 PolarHBondContact O-N 2.95Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.02Å; A110-R113 PolarHBondContact O-N 2.97Å; A110-Q114 WeakPolarHBondContact O-CG 3.46Å; A110-Q114 PolarHBondContact O-N 3.28Å
111M81.2Confident80.7Confident31 Ų3169.2 Ų69.215%0.15333%0.334CS..Hα-helixtrans-63.5-41176.4-71.5-172.992.300111.5R97 L99 T103 E107 R108 Q114 K115R97-M111 HydrophobicContact CB-CE 4.06Å; L99-M111 HydrophobicContact CD2-SD 3.8Å; T103-M111 HydrophobicContact CG2-SD 4.41Å; E107-M111 WeakPolarHBondContact O-CB 3.32Å; E107-M111 VanDerWaalsContact O-CG 3.31Å; E107-M111 WeakPolarHBondContact O-CG 3.3Å; E107-M111 PolarHBondContact O-N 2.97Å; R108-M111 PolarHBondContact O-N 3.43Å; M111-Q114 PolarHBondContact O-N 2.86Å; M111-K115 WeakPolarHBondContact O-CB 3.25Å; M111-K115 VanDerWaalsContact O-CG 3.28Å; M111-K115 WeakPolarHBondContact O-CG 3.42Å; M111-K115 PolarHBondContact O-N 3.04Å
112R84.9Confident82.1Confident39 Ų3961.4 Ų61.415%0.14729%0.293CS..Hα-helixtrans-58.2-51174.2179.6-174.7177.383.38.4110.6R108 T109 A110 Q114 K115 V116 L192 K193 L195 E198R108-R112 VanDerWaalsContact O-CB 3.23Å; R108-R112 WeakPolarHBondContact O-CB 3.31Å; R108-R112 PolarHBondContact O-N 2.91Å; T109-R112 PolarHBondContact O-N 2.94Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.02Å; R112-Q114 VanDerWaalsContact C-N 3.32Å; R112-Q114 PolarHBondContact O-N 2.78Å; R112-K115 PolarHBondContact O-N 2.65Å; R112-V116 HydrophobicContact CG-CG2 4.48Å; R112-V116 VanDerWaalsContact O-CG2 3.31Å; R112-V116 WeakPolarHBondContact O-CG2 3.46Å; R112-V116 PolarHBondContact O-N 2.71Å; R112-L192 PolarHBondContact NH2-O 3.32Å; R112-K193 PolarHBondContact NH2-O 2.9Å; R112-K193 VanDerWaalsContact NH2-O 3.07Å; R112-L195 PolarHBondContact NH1-O 2.94Å; R112-L195 PolarHBondContact NH2-O 3.24Å; R112-E198 HydrophobicContact CB-CB 4.46Å; R112-E198 IonicContact CZ-OE2 2.94Å; R112-E198 IonicContact NH1-OE1 3.97Å; R112-E198 IonicContact NH1-OE2 3.9Å; R112-E198 PolarHBondContact NH1-OE2 3.33Å
113R86.1Confident83.3Confident126 Ų12653.9 Ų53.948%0.47526%0.261SS..Hα-helixtrans-61.4-39.1179.5-167.8172.5-175.9-112.10.2112.3T109 A110 R117 F185T109-R113 WeakPolarHBondContact O-CB 3.29Å; T109-R113 PolarHBondContact O-N 3.44Å; A110-R113 PolarHBondContact O-N 2.97Å; R113-R117 VanDerWaalsContact O-CB 3.29Å; R113-R117 WeakPolarHBondContact O-CB 3.36Å; R113-R117 PolarHBondContact O-N 3Å; R113-F185 HydrophobicContact CG-CE1 4.34Å; R113-F185 HydrophobicContact CG-CZ 3.98Å
114Q85.4Confident84.3Confident101 Ų10152.9 Ų52.947%0.47225%0.254SS..Hα-helixtrans-64.2-44.7174.4-75175.4-13.700112.3A110 M111 R112 R117 F118A110-Q114 WeakPolarHBondContact O-CG 3.46Å; A110-Q114 PolarHBondContact O-N 3.28Å; M111-Q114 PolarHBondContact O-N 2.86Å; R112-Q114 VanDerWaalsContact C-N 3.32Å; R112-Q114 PolarHBondContact O-N 2.78Å; Q114-R117 PolarHBondContact O-N 3.35Å; Q114-F118 PolarHBondContact O-N 3.07Å
115K88Confident84.2Confident2 Ų255.3 Ų55.31%0.00927%0.268CS..Hα-helixtrans-63.9-43.6177.2-73.7176.7-173.1-151.10112.2H95 R97 M111 R112 R117 F118 L119 E198 M201H95-K115 WeakPolarHBondContact O-CE 3.41Å; H95-K115 VanDerWaalsContact O-CG 3.3Å; H95-K115 WeakPolarHBondContact O-CG 3.43Å; R97-K115 PolarHBondContact O-NZ 3.17Å; M111-K115 WeakPolarHBondContact O-CB 3.25Å; M111-K115 VanDerWaalsContact O-CG 3.28Å; M111-K115 WeakPolarHBondContact O-CG 3.42Å; M111-K115 PolarHBondContact O-N 3.04Å; R112-K115 PolarHBondContact O-N 2.65Å; K115-R117 VanDerWaalsContact C-N 3.32Å; K115-F118 PolarHBondContact O-N 3.24Å; K115-L119 PolarHBondContact O-N 2.95Å; K115-E198 PolarHBondContact NZ-O 3.18Å; K115-M201 HydrophobicContact CB-SD 3.82Å; K115-M201 HydrophobicContact CD-CB 4.26Å; K115-M201 HydrophobicContact CG-SD 4.16Å; K115-M201 PolarHBondContact NZ-O 3.08Å
116V88.4Confident84.3Confident1 Ų154.7 Ų54.71%0.00627%0.268CS..Hα-helixtrans-63.2-41.2175.1173.90000110.4R112 L119 F120 F185 F188 E189 L192 M197R112-V116 HydrophobicContact CG-CG2 4.48Å; R112-V116 VanDerWaalsContact O-CG2 3.31Å; R112-V116 WeakPolarHBondContact O-CG2 3.46Å; R112-V116 PolarHBondContact O-N 2.71Å; V116-L119 PolarHBondContact O-N 3.42Å; V116-F120 WeakPolarHBondContact O-CB 3.22Å; V116-F120 PolarHBondContact O-N 3.07Å; V116-F185 HydrophobicContact CB-CE2 4.48Å; V116-F185 HydrophobicContact CG1-CE2 3.88Å; V116-F185 HydrophobicContact CG1-CZ 4.28Å; V116-F188 HydrophobicContact CG1-CD1 3.72Å; V116-F188 HydrophobicContact CG1-CE1 4.17Å; V116-E189 HydrophobicContact CG1-CB 4.47Å; V116-L192 HydrophobicContact CG1-CD1 4.29Å; V116-L192 HydrophobicContact CG2-CD1 4.33Å; V116-M197 HydrophobicContact CG2-CB 4.36Å; V116-M197 HydrophobicContact CG2-CG 4.09Å
117R88.8Confident84.3Confident78 Ų7849 Ų4929%0.29425%0.246SC..Hα-helixtrans-62.8-43.6175.4-177.667.768.5178.91.3112.2R113 Q114 K115 L119 F120 N121 F185R113-R117 VanDerWaalsContact O-CB 3.29Å; R113-R117 WeakPolarHBondContact O-CB 3.36Å; R113-R117 PolarHBondContact O-N 3Å; Q114-R117 PolarHBondContact O-N 3.35Å; K115-R117 VanDerWaalsContact C-N 3.32Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 3Å; R117-F120 WeakPolarHBondContact O-CB 3.18Å; R117-F120 PolarHBondContact O-N 2.99Å; R117-N121 PolarHBondContact O-N 3.02Å; R117-N121 PolarHBondContact O-OD1 3.45Å; R117-F185 HydrophobicContact CB-CE2 3.8Å; R117-F185 HydrophobicContact CB-CZ 4.29Å; R117-F185 HydrophobicContact CG-CE2 4.46Å; R117-F185 VanDerWaalsContact CZ-CD1 3.45Å; R117-F185 VanDerWaalsContact NH1-CD2 3.28Å; R117-F185 VanDerWaalsContact NH2-CG 3.26Å
118F88.1Confident84.5Confident8 Ų847.9 Ų47.94%0.03524%0.244CC..Hα-helixtrans-59.1-45.5175.7178.9-85.8000111.4A66 N72 V92 H95 F96 Q114 K115 F120 N121 M122 M201A66-F118 HydrophobicContact CB-CE1 4.31Å; A66-F118 HydrophobicContact CB-CE2 4.14Å; A66-F118 HydrophobicContact CB-CZ 3.65Å; N72-F118 HydrophobicContact CB-CD2 4.03Å; N72-F118 HydrophobicContact CB-CE2 4.06Å; N72-F118 WeakPolarHBondContact ND2-CE2 3.28Å; V92-F118 HydrophobicContact CG1-CE2 3.94Å; V92-F118 HydrophobicContact CG1-CZ 4.21Å; H95-F118 HydrophobicContact CB-CD2 4.32Å; H95-F118 HydrophobicContact CB-CG 4.36Å; H95-F118 AromaticContact CD2-CD2 3.53Å; H95-F118 AromaticContact CG-CD2 3.98Å; F96-F118 HydrophobicContact CE1-CE1 4.46Å; F96-F118 AromaticContact CE2-CE1 3.98Å; F96-F118 HydrophobicContact CE2-CE1 3.98Å; F96-F118 AromaticContact CE2-CZ 3.87Å; F96-F118 HydrophobicContact CE2-CZ 3.87Å; F96-F118 HydrophobicContact CZ-CD1 4.21Å; F96-F118 AromaticContact CZ-CE1 3.49Å; F96-F118 HydrophobicContact CZ-CE1 3.49Å; F96-F118 VanDerWaalsContact CZ-CE1 3.49Å; F96-F118 AromaticContact CZ-CZ 3.82Å; F96-F118 HydrophobicContact CZ-CZ 3.82Å; Q114-F118 PolarHBondContact O-N 3.07Å; K115-F118 PolarHBondContact O-N 3.24Å; F118-F120 VanDerWaalsContact C-N 3.33Å; F118-F120 PolarHBondContact O-N 3.31Å; F118-N121 PolarHBondContact O-N 3.37Å; F118-M122 WeakPolarHBondContact O-CB 3.47Å; F118-M122 PolarHBondContact O-N 3.33Å; F118-M201 HydrophobicContact CB-CE 4.29Å; F118-M201 HydrophobicContact CD1-CE 3.3Å; F118-M201 HydrophobicContact CE1-CE 3.9Å; F118-M201 HydrophobicContact CG-CE 4.03Å
119L88Confident84.7Confident36 Ų3645.7 Ų45.719%0.18825%0.247CC..Hα-helixtrans-66.3-36.5177.7-174.363.3000112K115 V116 R117 M122 H123 F188 L192 M197K115-L119 PolarHBondContact O-N 2.95Å; V116-L119 PolarHBondContact O-N 3.42Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 3Å; L119-M122 HydrophobicContact CD1-CE 3.91Å; L119-M122 HydrophobicContact CD1-SD 4.32Å; L119-M122 WeakPolarHBondContact O-CB 3.34Å; L119-M122 PolarHBondContact O-N 3.46Å; L119-H123 PolarHBondContact O-CD2 2.69Å; L119-H123 PolarHBondContact O-N 3.06Å; L119-F188 HydrophobicContact CB-CE1 4.24Å; L119-F188 HydrophobicContact CD2-CE1 4.08Å; L119-F188 HydrophobicContact CD2-CZ 3.92Å; L119-F188 HydrophobicContact CG-CE1 4.11Å; L119-F188 HydrophobicContact CG-CZ 3.97Å; L119-L192 HydrophobicContact CD2-CD1 4.16Å; L119-M197 HydrophobicContact CD2-CE 3.81Å
120F88.9Confident85.1Confident1 Ų144.5 Ų44.50%0.00424%0.235CC..Hα-helixtrans-61-52.6173.6-177.6-88.7000111.1V116 R117 F118 M122 H123 D124 G129 I131 I183 F185 F188V116-F120 WeakPolarHBondContact O-CB 3.22Å; V116-F120 PolarHBondContact O-N 3.07Å; R117-F120 WeakPolarHBondContact O-CB 3.18Å; R117-F120 PolarHBondContact O-N 2.99Å; F118-F120 VanDerWaalsContact C-N 3.33Å; F118-F120 PolarHBondContact O-N 3.31Å; F120-M122 PolarHBondContact O-N 3.28Å; F120-H123 PolarHBondContact O-N 2.83Å; F120-D124 HydrophobicContact CD1-CB 4.17Å; F120-D124 HydrophobicContact CE1-CB 3.82Å; F120-D124 HydrophobicContact CZ-CB 4.35Å; F120-D124 WeakPolarHBondContact O-CB 3.3Å; F120-D124 PolarHBondContact O-N 3.26Å; F120-G129 WeakPolarHBondContact CZ-O 3.31Å; F120-I131 HydrophobicContact CD2-CD1 3.63Å; F120-I131 HydrophobicContact CD2-CG1 4.06Å; F120-I131 HydrophobicContact CE2-CD1 3.73Å; F120-I131 HydrophobicContact CE2-CG1 3.68Å; F120-I131 HydrophobicContact CG-CD1 4.43Å; F120-I131 HydrophobicContact CZ-CG1 4.1Å; F120-I183 WeakPolarHBondContact CE2-O 3.46Å; F120-F185 HydrophobicContact CB-CD2 4.06Å; F120-F185 HydrophobicContact CD1-CD2 4.45Å; F120-F185 HydrophobicContact CD2-CB 4.41Å; F120-F185 HydrophobicContact CD2-CD2 4.29Å; F120-F185 HydrophobicContact CE2-CB 4.33Å; F120-F185 AromaticContact CG-CD2 4Å; F120-F185 HydrophobicContact CG-CD2 4Å; F120-F185 HydrophobicContact CZ-CB 4.43Å; F120-F188 HydrophobicContact CB-CD1 4.06Å; F120-F188 HydrophobicContact CB-CE1 4.27Å; F120-F188 HydrophobicContact CD2-CB 3.84Å; F120-F188 HydrophobicContact CD2-CD1 4.06Å; F120-F188 HydrophobicContact CD2-CD2 4.46Å; F120-F188 AromaticContact CD2-CG 3.89Å; F120-F188 HydrophobicContact CD2-CG 3.89Å; F120-F188 HydrophobicContact CE2-CB 4.33Å
121N88Confident85.3Confident9 Ų942.3 Ų42.35%0.04822%0.216CC..Hα-helixtrans-60.2-29.1178.2-65.2-7.8000112.6R71 N72 R117 F118 H123R71-N121 WeakPolarHBondContact CB-ND2 3.45Å; R71-N121 PolarHBondContact NH2-O 3.47Å; N72-N121 PolarHBondContact OD1-ND2 2.95Å; R117-N121 PolarHBondContact O-N 3.02Å; R117-N121 PolarHBondContact O-OD1 3.45Å; F118-N121 PolarHBondContact O-N 3.37Å; N121-H123 VanDerWaalsContact C-N 3.28Å; N121-H123 PolarHBondContact O-N 3.04Å
122M86.8Confident85.6Confident17 Ų1742.3 Ų42.38%0.08422%0.218CC..Hα-helixtrans-68-28176.1-177.3-178.3107.700112.5I59 E62 A66 F118 L119 F120I59-M122 HydrophobicContact CB-CE 4.3Å; I59-M122 HydrophobicContact CD1-CE 4.14Å; I59-M122 HydrophobicContact CG2-CE 4.47Å; E62-M122 HydrophobicContact CB-CE 3.86Å; E62-M122 HydrophobicContact CB-CG 3.63Å; E62-M122 HydrophobicContact CB-SD 4.08Å; A66-M122 HydrophobicContact CB-CB 4.44Å; A66-M122 HydrophobicContact CB-CG 4.31Å; F118-M122 WeakPolarHBondContact O-CB 3.47Å; F118-M122 PolarHBondContact O-N 3.33Å; L119-M122 HydrophobicContact CD1-CE 3.91Å; L119-M122 HydrophobicContact CD1-SD 4.32Å; L119-M122 WeakPolarHBondContact O-CB 3.34Å; L119-M122 PolarHBondContact O-N 3.46Å; F120-M122 PolarHBondContact O-N 3.28Å
123H84.8Confident85.6Confident34 Ų3442.6 Ų42.616%0.15722%0.222CC..Hα-helixtrans-99.7-32179.4-70.4-60.2000113.6L119 F120 N121 T125 I131L119-H123 PolarHBondContact O-CD2 2.69Å; L119-H123 PolarHBondContact O-N 3.06Å; F120-H123 PolarHBondContact O-N 2.83Å; N121-H123 VanDerWaalsContact C-N 3.28Å; N121-H123 PolarHBondContact O-N 3.04Å; H123-T125 PolarHBondContact O-N 2.78Å; H123-T125 PolarHBondContact O-OG1 3.24Å; H123-I131 HydrophobicContact CB-CD1 3.82Å; H123-I131 HydrophobicContact CB-CG1 4.2Å
124D86.4Confident85.5Confident4 Ų443.9 Ų43.92%0.02123%0.233CC..  trans-73.187.5170.8170.78.1000109.1R71 F120 G127 D128 G129 I131R71-D124 VanDerWaalsContact NH1-CG 3.26Å; R71-D124 PolarHBondContact NH1-O 2.91Å; R71-D124 IonicContact NH1-OD1 3.83Å; R71-D124 IonicContact NH1-OD2 3.58Å; R71-D124 PolarHBondContact NH1-OD2 2.86Å; R71-D124 PolarHBondContact NH2-O 3.14Å; F120-D124 HydrophobicContact CD1-CB 4.17Å; F120-D124 HydrophobicContact CE1-CB 3.82Å; F120-D124 HydrophobicContact CZ-CB 4.35Å; F120-D124 WeakPolarHBondContact O-CB 3.3Å; F120-D124 PolarHBondContact O-N 3.26Å; D124-G127 WeakPolarHBondContact OD1-CA 3.4Å; D124-G127 PolarHBondContact OD1-N 3.46Å; D124-D128 PolarHBondContact OD1-N 3.3Å; D124-G129 WeakPolarHBondContact OD2-CA 3.43Å; D124-G129 PolarHBondContact OD2-N 3.2Å; D124-I131 HydrophobicContact CB-CG1 4.37Å
125T76.3Confident85.6Confident98 Ų9840.2 Ų40.260%0.60122%0.216SC*.SBendtrans-80.5-29.9-170.2-540000111.5H123 E135H123-T125 PolarHBondContact O-N 2.78Å; H123-T125 PolarHBondContact O-OG1 3.24Å; T125-E135 PolarHBondContact N-OE1 3.08Å
126D80.4Confident85.6Confident103 Ų10343.2 Ų43.255%0.55123%0.228SC*.SBendtrans-91.4-13.7-178.670.57000114D128D126-D128 VanDerWaalsContact C-N 3.32Å; D126-D128 WeakPolarHBondContact OD1-CB 3.37Å; D126-D128 VanDerWaalsContact OD1-CG 3.26Å; D126-D128 PolarHBondContact OD1-N 3.47Å
127G79.4Confident85.4Confident19 Ų1945.4 Ų45.420%0.19624%0.236CC..  trans74.920.8177.700000114.4R71 D124 G129R71-G127 VanDerWaalsContact NH1-CA 3.26Å; D124-G127 WeakPolarHBondContact OD1-CA 3.4Å; D124-G127 PolarHBondContact OD1-N 3.46Å; G127-G129 PolarHBondContact O-N 3.01Å
128D81.9Confident85.2Confident82 Ų8246.3 Ų46.344%0.43924%0.242SC..SBendtrans-76.2-7.7176.885.3-11.5000113D124 D126 K130D124-D128 PolarHBondContact OD1-N 3.3Å; D126-D128 VanDerWaalsContact C-N 3.32Å; D126-D128 WeakPolarHBondContact OD1-CB 3.37Å; D126-D128 VanDerWaalsContact OD1-CG 3.26Å; D126-D128 PolarHBondContact OD1-N 3.47Å; D128-K130 WeakPolarHBondContact OD1-CA 3.37Å; D128-K130 WeakPolarHBondContact OD1-CB 3.4Å; D128-K130 PolarHBondContact OD1-N 3.33Å
129G83.9Confident85Confident36 Ų3646.4 Ų46.437%0.37125%0.245SC..SBendtrans83.215.8179.300000113.8F120 D124 G127F120-G129 WeakPolarHBondContact CZ-O 3.31Å; D124-G129 WeakPolarHBondContact OD2-CA 3.43Å; D124-G129 PolarHBondContact OD2-N 3.2Å; G127-G129 PolarHBondContact O-N 3.01Å
130K88.7Confident84.9Confident60 Ų6045.5 Ų45.526%0.26124%0.241SC..EExtended strand (participates in β ladder)trans-136.8146.1177.2-58.4175.7-173.6166.80108.8D128 E181 I183 T184D128-K130 WeakPolarHBondContact OD1-CA 3.37Å; D128-K130 WeakPolarHBondContact OD1-CB 3.4Å; D128-K130 PolarHBondContact OD1-N 3.33Å; K130-E181 HydrophobicContact CD-CB 4.3Å; K130-E181 IonicContact NZ-OE2 2.61Å; K130-E181 PolarHBondContact NZ-OE2 3.42Å; K130-I183 CarbonylContact C-O 3.59Å; K130-I183 WeakPolarHBondContact CA-O 3.41Å; K130-T184 HydrophobicContact CG-CG2 4.41Å
131I87.4Confident84.6Confident3 Ų347.3 Ų47.32%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-95.2107.2168.4-58.3167.7000106.7F120 H123 D124 E135 G182 I183 F188F120-I131 HydrophobicContact CD2-CD1 3.63Å; F120-I131 HydrophobicContact CD2-CG1 4.06Å; F120-I131 HydrophobicContact CE2-CD1 3.73Å; F120-I131 HydrophobicContact CE2-CG1 3.68Å; F120-I131 HydrophobicContact CG-CD1 4.43Å; F120-I131 HydrophobicContact CZ-CG1 4.1Å; H123-I131 HydrophobicContact CB-CD1 3.82Å; H123-I131 HydrophobicContact CB-CG1 4.2Å; D124-I131 HydrophobicContact CB-CG1 4.37Å; I131-E135 HydrophobicContact CG2-CB 4.07Å; I131-G182 CarbonylContact O-C 3.35Å; I131-G182 VanDerWaalsContact O-CA 3.23Å; I131-G182 WeakPolarHBondContact O-CA 3.27Å; I131-I183 HydrophobicContact CB-CB 4.24Å; I131-I183 PolarHBondContact N-O 2.93Å; I131-I183 PolarHBondContact O-N 3.44Å; I131-F188 HydrophobicContact CD1-CD2 3.93Å; I131-F188 HydrophobicContact CD1-CE2 3.98Å
132T87.1Confident84.4Confident32 Ų3249.6 Ų49.620%0.19626%0.259CS..  trans-68.1162.617963.60000111.1E134 E135 Y136T132-E134 PolarHBondContact O-N 2.99Å; T132-E135 PolarHBondContact N-OE2 3.5Å; T132-E135 PolarHBondContact O-N 2.96Å; T132-E135 VanDerWaalsContact OG1-CG 3.3Å; T132-E135 WeakPolarHBondContact OG1-CG 3.11Å; T132-E135 PolarHBondContact OG1-N 2.87Å; T132-E135 PolarHBondContact OG1-OE2 3.31Å; T132-Y136 WeakPolarHBondContact O-CB 3.49Å; T132-Y136 PolarHBondContact O-N 2.96Å
133L84.3Confident84.2Confident44 Ų4452.8 Ų52.823%0.2328%0.276CS..Hα-helixtrans-59.1-34.2174.3178.862.5000112.2R137 M163L133-R137 HydrophobicContact CD1-CG 4.15Å; L133-R137 HydrophobicContact CG-CG 4.38Å; L133-R137 VanDerWaalsContact O-CB 3.24Å; L133-R137 WeakPolarHBondContact O-CB 3.49Å; L133-R137 VanDerWaalsContact O-CG 3.22Å; L133-R137 WeakPolarHBondContact O-CG 3.24Å; L133-R137 PolarHBondContact O-N 3.38Å; L133-M163 HydrophobicContact CB-CE 4.35Å; L133-M163 HydrophobicContact CD1-CB 3.79Å; L133-M163 HydrophobicContact CD1-CE 4.12Å; L133-M163 HydrophobicContact CD1-CG 3.89Å
134E85Confident83.9Confident153 Ų15353.2 Ų53.272%0.71528%0.28SS*.Hα-helixtrans-68.8-44.2179.2-63.2-167.416300111.6T132 R137 K138T132-E134 PolarHBondContact O-N 2.99Å; E134-R137 PolarHBondContact O-N 2.9Å; E134-K138 WeakPolarHBondContact O-CB 3.32Å; E134-K138 PolarHBondContact O-N 2.88Å
135E87.3Confident83.1Confident25 Ų2555.5 Ų55.512%0.11730%0.296CS..Hα-helixtrans-64.8-43.5175.9-69.9167.8128.900111.9T125 I131 T132 K138 A139T125-E135 PolarHBondContact N-OE1 3.08Å; I131-E135 HydrophobicContact CG2-CB 4.07Å; T132-E135 PolarHBondContact N-OE2 3.5Å; T132-E135 PolarHBondContact O-N 2.96Å; T132-E135 VanDerWaalsContact OG1-CG 3.3Å; T132-E135 WeakPolarHBondContact OG1-CG 3.11Å; T132-E135 PolarHBondContact OG1-N 2.87Å; T132-E135 PolarHBondContact OG1-OE2 3.31Å; E135-K138 PolarHBondContact O-N 3.4Å; E135-A139 PolarHBondContact O-N 2.99Å
136Y86.8Confident82.7Confident65 Ų6556 Ų5626%0.25529%0.291SS..Hα-helixtrans-63.9-45177.1-175.7-111.2000111.9T132 K138 A139 V140 A159 A162 M163 I183T132-Y136 WeakPolarHBondContact O-CB 3.49Å; T132-Y136 PolarHBondContact O-N 2.96Å; Y136-K138 VanDerWaalsContact C-N 3.33Å; Y136-K138 PolarHBondContact O-N 3.31Å; Y136-A139 PolarHBondContact O-N 3.49Å; Y136-V140 HydrophobicContact CD1-CG2 4.3Å; Y136-V140 HydrophobicContact CD2-CG2 4.36Å; Y136-V140 HydrophobicContact CE1-CG2 3.9Å; Y136-V140 HydrophobicContact CE2-CG2 3.96Å; Y136-V140 WeakPolarHBondContact O-CG2 3.45Å; Y136-V140 PolarHBondContact O-N 3.18Å; Y136-A159 HydrophobicContact CD1-CB 3.97Å; Y136-A159 HydrophobicContact CE1-CB 4.01Å; Y136-A159 WeakPolarHBondContact CE1-O 3.23Å; Y136-A162 HydrophobicContact CE1-CB 4.01Å; Y136-M163 HydrophobicContact CD1-CE 3.84Å; Y136-M163 HydrophobicContact CG-CE 3.81Å; Y136-I183 HydrophobicContact CD2-CD1 4.41Å
137R85.5Confident81.9Confident47 Ų4754 Ų5418%0.17729%0.285CS..Hα-helixtrans-57.1-47.8174.3-83.7174.3175.6163.91.3111.1L133 E134 A139 V140 E141 A159 D160L133-R137 HydrophobicContact CD1-CG 4.15Å; L133-R137 HydrophobicContact CG-CG 4.38Å; L133-R137 VanDerWaalsContact O-CB 3.24Å; L133-R137 WeakPolarHBondContact O-CB 3.49Å; L133-R137 VanDerWaalsContact O-CG 3.22Å; L133-R137 WeakPolarHBondContact O-CG 3.24Å; L133-R137 PolarHBondContact O-N 3.38Å; E134-R137 PolarHBondContact O-N 2.9Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-A139 PolarHBondContact O-N 3.19Å; R137-V140 PolarHBondContact O-N 3.33Å; R137-E141 VanDerWaalsContact O-CB 3.3Å; R137-E141 WeakPolarHBondContact O-CB 3.29Å; R137-E141 VanDerWaalsContact O-CG 3.32Å; R137-E141 WeakPolarHBondContact O-CG 3.47Å; R137-E141 PolarHBondContact O-N 2.86Å; R137-A159 HydrophobicContact CB-CB 4.37Å; R137-A159 HydrophobicContact CG-CB 3.7Å; R137-D160 IonicContact CZ-OD1 3.85Å; R137-D160 IonicContact CZ-OD2 3.99Å; R137-D160 IonicContact NE-OD1 3.01Å; R137-D160 PolarHBondContact NE-OD1 3.34Å; R137-D160 IonicContact NE-OD2 2.68Å; R137-D160 IonicContact NH2-OD1 3.14Å; R137-D160 PolarHBondContact NH2-OD1 3.36Å; R137-D160 IonicContact NH2-OD2 2.91Å; R137-D160 PolarHBondContact NH2-OD2 3Å
138K84.8Confident81.2Confident96 Ų9656.4 Ų56.442%0.41731%0.311SS..Hα-helixtrans-57.9-48.2179.3-175.3-172.3168.2-150.70111.2E62 E134 E135 Y136 V140 E141 E142E62-K138 IonicContact OE1-NZ 2.71Å; E134-K138 WeakPolarHBondContact O-CB 3.32Å; E134-K138 PolarHBondContact O-N 2.88Å; E135-K138 PolarHBondContact O-N 3.4Å; Y136-K138 VanDerWaalsContact C-N 3.33Å; Y136-K138 PolarHBondContact O-N 3.31Å; K138-V140 PolarHBondContact O-N 2.99Å; K138-E141 PolarHBondContact O-N 3.24Å; K138-E142 WeakPolarHBondContact CE-OE1 3.35Å; K138-E142 IonicContact NZ-OE1 3.06Å; K138-E142 WeakPolarHBondContact O-CG 3.31Å; K138-E142 PolarHBondContact O-N 3.31Å
139A84.4Confident80.5Confident11 Ų1157.8 Ų57.89%0.09132%0.322CS..Hα-helixtrans-61.3-42.9178.800000112.5E135 Y136 R137 L143E135-A139 PolarHBondContact O-N 2.99Å; Y136-A139 PolarHBondContact O-N 3.49Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-A139 PolarHBondContact O-N 3.19Å; A139-L143 WeakPolarHBondContact O-CB 3.43Å; A139-L143 WeakPolarHBondContact O-CD1 3.27Å; A139-L143 VanDerWaalsContact O-CG 3.25Å; A139-L143 WeakPolarHBondContact O-CG 3.5Å; A139-L143 PolarHBondContact O-N 3.46Å; A139-L143 VanDerWaalsContact O-N 3.13Å
140V84.5Confident80Confident17 Ų1758.7 Ų58.710%0.10332%0.318CS..Hα-helixtrans-68.6-42177.8172.70000111.4Y136 R137 K138 L143 L144 A159Y136-V140 HydrophobicContact CD1-CG2 4.3Å; Y136-V140 HydrophobicContact CD2-CG2 4.36Å; Y136-V140 HydrophobicContact CE1-CG2 3.9Å; Y136-V140 HydrophobicContact CE2-CG2 3.96Å; Y136-V140 WeakPolarHBondContact O-CG2 3.45Å; Y136-V140 PolarHBondContact O-N 3.18Å; R137-V140 PolarHBondContact O-N 3.33Å; K138-V140 PolarHBondContact O-N 2.99Å; V140-L143 PolarHBondContact O-N 3.02Å; V140-L144 HydrophobicContact CG1-CD1 3.49Å; V140-L144 VanDerWaalsContact CG1-CD1 3.49Å; V140-L144 HydrophobicContact CG1-CG 4.11Å; V140-L144 VanDerWaalsContact O-CB 3.29Å; V140-L144 WeakPolarHBondContact O-CB 3.39Å; V140-L144 VanDerWaalsContact O-CG 3.31Å; V140-L144 WeakPolarHBondContact O-CG 3.41Å; V140-L144 PolarHBondContact O-N 3.21Å; V140-A159 HydrophobicContact CB-CB 4.13Å; V140-A159 HydrophobicContact CG1-CB 4.17Å; V140-A159 HydrophobicContact CG2-CB 4.27Å
141E83.6Confident79.5Confident39 Ų3958.3 Ų58.318%0.18233%0.331CS..Hα-helixtrans-61-46.2176.7-78.9-176.7-16100111.1R137 K138 S145 Q152 A155R137-E141 VanDerWaalsContact O-CB 3.3Å; R137-E141 WeakPolarHBondContact O-CB 3.29Å; R137-E141 VanDerWaalsContact O-CG 3.32Å; R137-E141 WeakPolarHBondContact O-CG 3.47Å; R137-E141 PolarHBondContact O-N 2.86Å; K138-E141 PolarHBondContact O-N 3.24Å; E141-S145 WeakPolarHBondContact O-CA 3.23Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.28Å; E141-S145 PolarHBondContact O-OG 3.2Å; E141-Q152 HydrophobicContact CG-CG 4.38Å; E141-Q152 WeakPolarHBondContact OE2-CG 3.39Å; E141-Q152 PolarHBondContact OE2-NE2 2.93Å; E141-A155 HydrophobicContact CG-CB 3.95Å
142E82.2Confident79Confident56 Ų5664.4 Ų64.426%0.26236%0.36SS..Hα-helixtrans-62.1-46.3177.9-73.1171.5168.500111.4K138 E146K138-E142 WeakPolarHBondContact CE-OE1 3.35Å; K138-E142 IonicContact NZ-OE1 3.06Å; K138-E142 WeakPolarHBondContact O-CG 3.31Å; K138-E142 PolarHBondContact O-N 3.31Å; E142-E146 PolarHBondContact O-N 2.93Å
143L82.9Confident78.8Confident84 Ų8471 Ų7144%0.4439%0.388SS..Hα-helixtrans-64.4-42179.2-74.1170000113.5P58 I59 A139 V140P58-L143 HydrophobicContact CB-CD2 4.22Å; P58-L143 HydrophobicContact CG-CD2 4.46Å; I59-L143 HydrophobicContact CG2-CD2 3.77Å; I59-L143 HydrophobicContact CG2-CG 4.24Å; A139-L143 WeakPolarHBondContact O-CB 3.43Å; A139-L143 WeakPolarHBondContact O-CD1 3.27Å; A139-L143 VanDerWaalsContact O-CG 3.25Å; A139-L143 WeakPolarHBondContact O-CG 3.5Å; A139-L143 PolarHBondContact O-N 3.46Å; A139-L143 VanDerWaalsContact O-N 3.13Å; V140-L143 PolarHBondContact O-N 3.02Å
144L79.6Confident78.8Confident44 Ų4470.4 Ų70.423%0.2339%0.392CS..Hα-helixtrans-88-33.7-174.2-65-178.3000112.8V140 S147 I150 A155 I158V140-L144 HydrophobicContact CG1-CD1 3.49Å; V140-L144 VanDerWaalsContact CG1-CD1 3.49Å; V140-L144 HydrophobicContact CG1-CG 4.11Å; V140-L144 VanDerWaalsContact O-CB 3.29Å; V140-L144 WeakPolarHBondContact O-CB 3.39Å; V140-L144 VanDerWaalsContact O-CG 3.31Å; V140-L144 WeakPolarHBondContact O-CG 3.41Å; V140-L144 PolarHBondContact O-N 3.21Å; L144-S147 WeakPolarHBondContact O-CB 3.48Å; L144-S147 PolarHBondContact O-N 3.35Å; L144-S147 PolarHBondContact O-OG 2.87Å; L144-I150 HydrophobicContact CD1-CD1 4.14Å; L144-I150 HydrophobicContact CD2-CD1 4.29Å; L144-A155 HydrophobicContact CB-CB 4.1Å; L144-A155 HydrophobicContact CD1-CB 4.06Å; L144-I158 HydrophobicContact CD1-CD1 3.95Å; L144-I158 HydrophobicContact CD1-CG2 4.48Å
145S69.9Low78.8Confident52 Ų5263.1 Ų63.136%0.36436%0.358SS..Hα-helixtrans-70.8-36.1-177.9-56.10000111.7E141 S147 G148E141-S145 WeakPolarHBondContact O-CA 3.23Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.28Å; E141-S145 PolarHBondContact O-OG 3.2Å; S145-S147 PolarHBondContact O-N 2.9Å; S145-G148 PolarHBondContact O-N 2.9Å
146E68.1Low78.6Confident107 Ų10768 Ų6850%0.538%0.375SS..THydrogen-bonded Turntrans-72.3-19177.4-155.5165.8-167.800112.1P58 E142 G148P58-E146 WeakPolarHBondContact CA-OE2 3.45Å; P58-E146 VanDerWaalsContact CB-OE2 3.22Å; P58-E146 WeakPolarHBondContact CB-OE2 3.3Å; P58-E146 VanDerWaalsContact CD-OE2 3.28Å; P58-E146 WeakPolarHBondContact CD-OE2 3.3Å; P58-E146 HydrophobicContact CG-CB 4.19Å; P58-E146 WeakPolarHBondContact CG-OE2 3.31Å; E142-E146 PolarHBondContact O-N 2.93Å; E146-G148 PolarHBondContact O-N 3.31Å
147S63.4Low78.6Confident62 Ų6267.7 Ų67.743%0.43439%0.386SS..THydrogen-bonded Turntrans-73.8-13.2173.283.30000113.7L144 S145 T149L144-S147 WeakPolarHBondContact O-CB 3.48Å; L144-S147 PolarHBondContact O-N 3.35Å; L144-S147 PolarHBondContact O-OG 2.87Å; S145-S147 PolarHBondContact O-N 2.9Å; S147-T149 PolarHBondContact O-N 2.91Å; S147-T149 PolarHBondContact OG-OG1 3.39Å
148G64.8Low78.7Confident70 Ų7069.1 Ų69.172%0.72240%0.397SS*.THydrogen-bonded Turntrans66.12.7178.700000115.4S145 E146S145-G148 PolarHBondContact O-N 2.9Å; E146-G148 PolarHBondContact O-N 3.31Å
149T65.9Low78.8Confident111 Ų11164.5 Ų64.568%0.68138%0.377SS*.SBendtrans-91.6-25.6-175.657.60000113.3S147S147-T149 PolarHBondContact O-N 2.91Å; S147-T149 PolarHBondContact OG-OG1 3.39Å
150I73.8Confident78.8Confident54 Ų5466.5 Ų66.528%0.27739%0.386SS..SBendtrans-132.7127.9-173.3-59.7175.2000108.1L144 A155 I158L144-I150 HydrophobicContact CD1-CD1 4.14Å; L144-I150 HydrophobicContact CD2-CD1 4.29Å; I150-A155 HydrophobicContact CG2-CB 4.34Å; I150-I158 HydrophobicContact CD1-CD1 3.72Å; I150-I158 HydrophobicContact CG2-CD1 4.29Å
151G77.7Confident78.9Confident53 Ų5368.5 Ų68.555%0.54640%0.404SS..  trans-72.2162.4174.100000111.8E153 G154 A155G151-E153 VanDerWaalsContact C-N 3.25Å; G151-E153 PolarHBondContact O-N 2.82Å; G151-E153 VanDerWaalsContact O-N 3.16Å; G151-G154 WeakPolarHBondContact O-CA 3.15Å; G151-G154 PolarHBondContact O-N 3.38Å; G151-A155 PolarHBondContact O-N 2.67Å
152Q78.3Confident79Confident131 Ų13167.9 Ų67.961%0.61241%0.405SS*.Hα-helixtrans-52.9-40.8-176.2-166.9176.99.900113.3E141 G154 A155 R156E141-Q152 HydrophobicContact CG-CG 4.38Å; E141-Q152 WeakPolarHBondContact OE2-CG 3.39Å; E141-Q152 PolarHBondContact OE2-NE2 2.93Å; Q152-G154 VanDerWaalsContact C-N 3.34Å; Q152-G154 PolarHBondContact O-N 2.93Å; Q152-A155 PolarHBondContact O-N 2.69Å; Q152-R156 WeakPolarHBondContact O-CB 3.34Å; Q152-R156 PolarHBondContact O-N 3.49Å
153E82.4Confident79.1Confident171 Ų17165.7 Ų65.780%0.79940%0.396SS*.Hα-helixtrans-64.8-35.9177.2-169.8175.9-171.400112.8G151 A157G151-E153 VanDerWaalsContact C-N 3.25Å; G151-E153 PolarHBondContact O-N 2.82Å; G151-E153 VanDerWaalsContact O-N 3.16Å; E153-A157 PolarHBondContact O-N 2.91Å
154G84.5Confident79.1Confident30 Ų3067.5 Ų67.531%0.30941%0.405SS..Hα-helixtrans-70.8-40.9175.600000112.3G151 Q152 R156 A157 I158G151-G154 WeakPolarHBondContact O-CA 3.15Å; G151-G154 PolarHBondContact O-N 3.38Å; Q152-G154 VanDerWaalsContact C-N 3.34Å; Q152-G154 PolarHBondContact O-N 2.93Å; G154-R156 VanDerWaalsContact C-N 3.31Å; G154-R156 PolarHBondContact O-N 2.78Å; G154-A157 PolarHBondContact O-N 2.84Å; G154-I158 WeakPolarHBondContact O-CD1 3.46Å; G154-I158 VanDerWaalsContact O-CG1 3.27Å; G154-I158 WeakPolarHBondContact O-CG1 3.22Å; G154-I158 PolarHBondContact O-N 3.47Å
155A84.3Confident79.2Confident0 Ų071.9 Ų71.90%042%0.424CS..Hα-helixtrans-62.5-41175.200000111.1E141 L144 I150 G151 Q152 I158 A159E141-A155 HydrophobicContact CG-CB 3.95Å; L144-A155 HydrophobicContact CB-CB 4.1Å; L144-A155 HydrophobicContact CD1-CB 4.06Å; I150-A155 HydrophobicContact CG2-CB 4.34Å; G151-A155 PolarHBondContact O-N 2.67Å; Q152-A155 PolarHBondContact O-N 2.69Å; A155-I158 PolarHBondContact O-N 3.13Å; A155-A159 WeakPolarHBondContact O-CB 3.48Å; A155-A159 PolarHBondContact O-N 3.07Å
156R84.1Confident79.8Confident127 Ų12770.3 Ų70.348%0.47941%0.412SS..Hα-helixtrans-61.9-45.4173.8-174.9176.5176.3172.42.8112.6Q152 G154 I158 A159 D160Q152-R156 WeakPolarHBondContact O-CB 3.34Å; Q152-R156 PolarHBondContact O-N 3.49Å; G154-R156 VanDerWaalsContact C-N 3.31Å; G154-R156 PolarHBondContact O-N 2.78Å; R156-I158 VanDerWaalsContact C-N 3.3Å; R156-I158 PolarHBondContact O-N 2.86Å; R156-A159 PolarHBondContact O-N 3.41Å; R156-D160 WeakPolarHBondContact O-CB 3.46Å; R156-D160 VanDerWaalsContact O-CG 3.25Å; R156-D160 PolarHBondContact O-N 3.44Å
157A86.6Confident80.4Confident59 Ų5965.5 Ų65.549%0.48839%0.391SS..Hα-helixtrans-63-37.1177.500000112.4E153 G154 A161E153-A157 PolarHBondContact O-N 2.91Å; G154-A157 PolarHBondContact O-N 2.84Å; A157-A161 WeakPolarHBondContact O-CB 3.33Å; A157-A161 PolarHBondContact O-N 3.48Å
158I86.8Confident81.1Confident77 Ų7766 Ų6640%0.39539%0.394SS..Hα-helixtrans-65.7-46.4174.7-69.1164.3000110.6L144 I150 G154 A155 R156 D160 A161 A162L144-I158 HydrophobicContact CD1-CD1 3.95Å; L144-I158 HydrophobicContact CD1-CG2 4.48Å; I150-I158 HydrophobicContact CD1-CD1 3.72Å; I150-I158 HydrophobicContact CG2-CD1 4.29Å; G154-I158 WeakPolarHBondContact O-CD1 3.46Å; G154-I158 VanDerWaalsContact O-CG1 3.27Å; G154-I158 WeakPolarHBondContact O-CG1 3.22Å; G154-I158 PolarHBondContact O-N 3.47Å; A155-I158 PolarHBondContact O-N 3.13Å; R156-I158 VanDerWaalsContact C-N 3.3Å; R156-I158 PolarHBondContact O-N 2.86Å; I158-D160 VanDerWaalsContact C-N 3.31Å; I158-D160 PolarHBondContact O-N 2.99Å; I158-A161 PolarHBondContact O-N 2.85Å; I158-A162 WeakPolarHBondContact O-CB 3.47Å; I158-A162 PolarHBondContact O-N 3.22Å
159A86.6Confident81.6Confident0 Ų067 Ų670%039%0.387CS..Hα-helixtrans-60.5-42.2178.500000111.7Y136 R137 V140 A155 R156 M163Y136-A159 HydrophobicContact CD1-CB 3.97Å; Y136-A159 HydrophobicContact CE1-CB 4.01Å; Y136-A159 WeakPolarHBondContact CE1-O 3.23Å; R137-A159 HydrophobicContact CB-CB 4.37Å; R137-A159 HydrophobicContact CG-CB 3.7Å; V140-A159 HydrophobicContact CB-CB 4.13Å; V140-A159 HydrophobicContact CG1-CB 4.17Å; V140-A159 HydrophobicContact CG2-CB 4.27Å; A155-A159 WeakPolarHBondContact O-CB 3.48Å; A155-A159 PolarHBondContact O-N 3.07Å; R156-A159 PolarHBondContact O-N 3.41Å; A159-M163 WeakPolarHBondContact O-CB 3.33Å; A159-M163 PolarHBondContact O-N 3.35Å
160D85.3Confident81.9Confident53 Ų5363.7 Ų63.728%0.28337%0.365SS..Hα-helixtrans-65.2-44.4177.6-71.5-7.8000112.2R137 R156 I158 M163 L164R137-D160 IonicContact CZ-OD1 3.85Å; R137-D160 IonicContact CZ-OD2 3.99Å; R137-D160 IonicContact NE-OD1 3.01Å; R137-D160 PolarHBondContact NE-OD1 3.34Å; R137-D160 IonicContact NE-OD2 2.68Å; R137-D160 IonicContact NH2-OD1 3.14Å; R137-D160 PolarHBondContact NH2-OD1 3.36Å; R137-D160 IonicContact NH2-OD2 2.91Å; R137-D160 PolarHBondContact NH2-OD2 3Å; R156-D160 WeakPolarHBondContact O-CB 3.46Å; R156-D160 VanDerWaalsContact O-CG 3.25Å; R156-D160 PolarHBondContact O-N 3.44Å; I158-D160 VanDerWaalsContact C-N 3.31Å; I158-D160 PolarHBondContact O-N 2.99Å; D160-M163 PolarHBondContact O-N 3.33Å; D160-L164 WeakPolarHBondContact O-CB 3.45Å; D160-L164 PolarHBondContact O-N 3.28Å
161A86.6Confident81.8Confident59 Ų5963.4 Ų63.449%0.48837%0.366SS..Hα-helixtrans-63.2-44.9178.100000111.6A157 I158 L164 E165A157-A161 WeakPolarHBondContact O-CB 3.33Å; A157-A161 PolarHBondContact O-N 3.48Å; I158-A161 PolarHBondContact O-N 2.85Å; A161-L164 PolarHBondContact O-N 3.31Å; A161-E165 PolarHBondContact O-N 3.29Å
162A85.7Confident81Confident25 Ų2566 Ų6621%0.20737%0.373CS..Hα-helixtrans-64.8-41.7177.600000111.7Y136 I158 L164 E165 V166Y136-A162 HydrophobicContact CE1-CB 4.01Å; I158-A162 WeakPolarHBondContact O-CB 3.47Å; I158-A162 PolarHBondContact O-N 3.22Å; A162-L164 VanDerWaalsContact C-N 3.35Å; A162-L164 PolarHBondContact O-N 3.2Å; A162-E165 WeakPolarHBondContact O-CB 3.36Å; A162-E165 PolarHBondContact O-N 3.15Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 2.69Å; A162-V166 VanDerWaalsContact O-N 3.09Å
163M82.9Confident80Confident11 Ų1166.7 Ų66.75%0.05438%0.381CS..Hα-helixtrans-64.3-40.3177.2-1686680.600112L133 Y136 A159 D160 E165 V166 A167 Y180 I183L133-M163 HydrophobicContact CB-CE 4.35Å; L133-M163 HydrophobicContact CD1-CB 3.79Å; L133-M163 HydrophobicContact CD1-CE 4.12Å; L133-M163 HydrophobicContact CD1-CG 3.89Å; Y136-M163 HydrophobicContact CD1-CE 3.84Å; Y136-M163 HydrophobicContact CG-CE 3.81Å; A159-M163 WeakPolarHBondContact O-CB 3.33Å; A159-M163 PolarHBondContact O-N 3.35Å; D160-M163 PolarHBondContact O-N 3.33Å; M163-E165 VanDerWaalsContact C-N 3.31Å; M163-E165 PolarHBondContact O-N 2.77Å; M163-V166 PolarHBondContact O-N 2.82Å; M163-A167 WeakPolarHBondContact O-CB 3.39Å; M163-A167 PolarHBondContact O-N 2.7Å; M163-Y180 HydrophobicContact CG-CD1 4.07Å; M163-Y180 HydrophobicContact CG-CE1 4.21Å; M163-Y180 HydrophobicContact SD-CD1 3.95Å; M163-Y180 HydrophobicContact SD-CE1 3.53Å; M163-Y180 VanDerWaalsContact SD-CE1 3.53Å; M163-I183 HydrophobicContact CE-CD1 3.81Å; M163-I183 HydrophobicContact CE-CG1 3.79Å; M163-I183 HydrophobicContact SD-CD1 3.72Å; M163-I183 HydrophobicContact SD-CG1 3.41Å; M163-I183 WeakPolarHBondContact SD-CG1 3.47Å
164L83Confident79.2Confident122 Ų12261.8 Ų61.864%0.63936%0.36SS*.Hα-helixtrans-63.1-39.1176.5-175.865.1000111.7D160 A161 A162 A167 S168D160-L164 WeakPolarHBondContact O-CB 3.45Å; D160-L164 PolarHBondContact O-N 3.28Å; A161-L164 PolarHBondContact O-N 3.31Å; A162-L164 VanDerWaalsContact C-N 3.35Å; A162-L164 PolarHBondContact O-N 3.2Å; L164-A167 PolarHBondContact O-N 3.28Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.2Å; L164-S168 PolarHBondContact O-N 2.84Å; L164-S168 PolarHBondContact O-OG 2.84Å
165E83.6Confident78Confident135 Ų13561.6 Ų61.663%0.63136%0.358SS*.Hα-helixtrans-61.1-47.2175.5-172.4175.4168.100111.3A161 A162 M163 S168 T169A161-E165 PolarHBondContact O-N 3.29Å; A162-E165 WeakPolarHBondContact O-CB 3.36Å; A162-E165 PolarHBondContact O-N 3.15Å; M163-E165 VanDerWaalsContact C-N 3.31Å; M163-E165 PolarHBondContact O-N 2.77Å; E165-S168 PolarHBondContact O-N 2.97Å; E165-S168 PolarHBondContact O-OG 3.36Å; E165-T169 PolarHBondContact O-N 2.8Å; E165-T169 VanDerWaalsContact O-N 3.1Å; E165-T169 PolarHBondContact O-OG1 3.22Å; E165-T169 VanDerWaalsContact O-OG1 3.08Å
166V81.9Confident76.8Confident19 Ų1968.2 Ų68.212%0.11540%0.401CS..Hα-helixtrans-62.1-44.8176.5177.20000111.3A162 M163 T169 N170 Y180 I183 H187 I191A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 2.69Å; A162-V166 VanDerWaalsContact O-N 3.09Å; M163-V166 PolarHBondContact O-N 2.82Å; V166-T169 PolarHBondContact O-N 3.39Å; V166-N170 WeakPolarHBondContact CG1-ND2 3.17Å; V166-N170 WeakPolarHBondContact O-CB 3.4Å; V166-N170 PolarHBondContact O-N 3.06Å; V166-N170 VanDerWaalsContact O-N 3.11Å; V166-N170 PolarHBondContact O-ND2 3.42Å; V166-Y180 WeakPolarHBondContact CG1-OH 3.39Å; V166-I183 HydrophobicContact CG1-CG1 4.29Å; V166-H187 HydrophobicContact CG1-CB 4.32Å; V166-I191 HydrophobicContact CB-CD1 4.4Å; V166-I191 HydrophobicContact CG1-CD1 3.88Å; V166-I191 HydrophobicContact CG2-CD1 3.51Å; V166-I191 HydrophobicContact CG2-CG1 4.02Å
167A79.9Confident75.7Confident6 Ų669.8 Ų69.85%0.0542%0.419CS..Hα-helixtrans-62.5-44.517800000111.7M163 L164 T169 V171 Y180M163-A167 WeakPolarHBondContact O-CB 3.39Å; M163-A167 PolarHBondContact O-N 2.7Å; L164-A167 PolarHBondContact O-N 3.28Å; A167-T169 VanDerWaalsContact C-N 3.33Å; A167-T169 PolarHBondContact O-N 2.95Å; A167-V171 WeakPolarHBondContact O-CA 3.34Å; A167-V171 PolarHBondContact O-N 2.94Å; A167-Y180 HydrophobicContact CB-CD1 4.11Å; A167-Y180 HydrophobicContact CB-CD2 3.49Å; A167-Y180 VanDerWaalsContact CB-CD2 3.49Å; A167-Y180 HydrophobicContact CB-CE1 4.44Å; A167-Y180 HydrophobicContact CB-CE2 3.89Å; A167-Y180 HydrophobicContact CB-CG 3.6Å
168S77.8Confident74.7Confident72 Ų7271.6 Ų71.650%0.50342%0.42SS..Hα-helixtrans-67.1-31.4-177.869.50000113.7L164 E165L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.2Å; L164-S168 PolarHBondContact O-N 2.84Å; L164-S168 PolarHBondContact O-OG 2.84Å; E165-S168 PolarHBondContact O-N 2.97Å; E165-S168 PolarHBondContact O-OG 3.36Å
169T76.8Confident73.7Confident93 Ų9375.6 Ų75.657%0.57144%0.435SS*.Hα-helixtrans-81.3-40.5-179.8-61.20000111.4E165 V166 A167E165-T169 PolarHBondContact O-N 2.8Å; E165-T169 VanDerWaalsContact O-N 3.1Å; E165-T169 PolarHBondContact O-OG1 3.22Å; E165-T169 VanDerWaalsContact O-OG1 3.08Å; V166-T169 PolarHBondContact O-N 3.39Å; A167-T169 VanDerWaalsContact C-N 3.33Å; A167-T169 PolarHBondContact O-N 2.95Å
170N71.1Confident73.1Confident41 Ų4177 Ų7722%0.21944%0.44CS..Hα-helixtrans-93.4-24.1-172.7-65.4-58.7000113.9V166 P172 H187 E190V166-N170 WeakPolarHBondContact CG1-ND2 3.17Å; V166-N170 WeakPolarHBondContact O-CB 3.4Å; V166-N170 PolarHBondContact O-N 3.06Å; V166-N170 VanDerWaalsContact O-N 3.11Å; V166-N170 PolarHBondContact O-ND2 3.42Å; N170-P172 VanDerWaalsContact C-CD 3.48Å; N170-P172 WeakPolarHBondContact O-CD 3.46Å; N170-H187 WeakPolarHBondContact CB-NE2 3.43Å; N170-H187 VanDerWaalsContact CG-CD2 3.42Å; N170-E190 PolarHBondContact OD1-OE2 3.18Å
171V71.1Confident72.6Confident48 Ų4880.4 Ų80.429%0.29145%0.454SS..  trans-126.872-179.9-161.40000110A167 N173 L174 Y180A167-V171 WeakPolarHBondContact O-CA 3.34Å; A167-V171 PolarHBondContact O-N 2.94Å; V171-N173 PolarHBondContact O-N 3.28Å; V171-L174 HydrophobicContact CB-CD1 3.8Å; V171-L174 HydrophobicContact CG1-CB 4.31Å; V171-L174 HydrophobicContact CG1-CD1 3.41Å; V171-L174 VanDerWaalsContact CG1-CD1 3.41Å; V171-L174 HydrophobicContact CG1-CG 4.47Å; V171-L174 HydrophobicContact CG2-CD1 4.43Å; V171-L174 PolarHBondContact O-N 2.68Å; V171-Y180 HydrophobicContact CG2-CD2 4.08Å; V171-Y180 HydrophobicContact CG2-CE2 3.88Å
172P60.8Low72.5Confident107 Ų10777.8 Ų77.870%0.69543%0.434SS*.THydrogen-bonded Turntrans-65.8-12.8-174.525-34.1000114.2N170N170-P172 VanDerWaalsContact C-CD 3.48Å; N170-P172 WeakPolarHBondContact O-CD 3.46Å
173N59.2Low72.5Confident145 Ų14576.8 Ų76.878%0.77543%0.425SS*.THydrogen-bonded Turntrans-108.519-179.5-67.9-16.5000113.3V171 G175V171-N173 PolarHBondContact O-N 3.28Å; N173-G175 PolarHBondContact O-N 2.85Å
174L63.9Low72.8Confident69 Ų6977.8 Ų77.836%0.36143%0.431SS..  trans-58.3108.4173.9-141.285.2000108.1V171 D178V171-L174 HydrophobicContact CB-CD1 3.8Å; V171-L174 HydrophobicContact CG1-CB 4.31Å; V171-L174 HydrophobicContact CG1-CD1 3.41Å; V171-L174 VanDerWaalsContact CG1-CD1 3.41Å; V171-L174 HydrophobicContact CG1-CG 4.47Å; V171-L174 HydrophobicContact CG2-CD1 4.43Å; V171-L174 PolarHBondContact O-N 2.68Å; L174-D178 HydrophobicContact CB-CB 4.45Å; L174-D178 HydrophobicContact CD1-CB 4.13Å; L174-D178 VanDerWaalsContact CD2-O 3.31Å; L174-D178 WeakPolarHBondContact CD2-O 3.45Å; L174-D178 HydrophobicContact CG-CB 3.66Å
175G59.9Low73Confident26 Ų2672.1 Ų72.127%0.26840%0.402SS..  trans-62.1162.6173.300000111.2N173 D177 D178N173-G175 PolarHBondContact O-N 2.85Å; G175-D177 PolarHBondContact O-N 2.99Å; G175-D178 PolarHBondContact N-OD2 2.83Å; G175-D178 PolarHBondContact O-N 3.34Å
176P59.7Low73.2Confident139 Ų13971.2 Ų71.290%0.90340%0.397SS*.THydrogen-bonded Turntrans-59.8-17.8177.822.6-32000114.3
177D61.4Low73.4Confident160 Ų16071.8 Ų71.886%0.85640%0.399SS*.THydrogen-bonded Turntrans-105.1-2.3175.3-67.9-37.2000113.4G175G175-D177 PolarHBondContact O-N 2.99Å
178D64.8Low73.7Confident97 Ų9772.6 Ų72.652%0.51940%0.401SS..  trans-82.8127-178.8-74.6-23.2000109.9L174 G175L174-D178 HydrophobicContact CB-CB 4.45Å; L174-D178 HydrophobicContact CD1-CB 4.13Å; L174-D178 VanDerWaalsContact CD2-O 3.31Å; L174-D178 WeakPolarHBondContact CD2-O 3.45Å; L174-D178 HydrophobicContact CG-CB 3.66Å; G175-D178 PolarHBondContact N-OD2 2.83Å; G175-D178 PolarHBondContact O-N 3.34Å
179F66.6Low74Confident160 Ų16072.1 Ų72.170%0.70239%0.391SS*.  trans-92.1128.7178.6-176-100.7000110E181F179-E181 PolarHBondContact O-N 2.95Å; F179-E181 VanDerWaalsContact O-N 3.09Å
180Y73.4Confident74.4Confident29 Ų2971.9 Ų71.911%0.11438%0.383CS..  trans-72.4104.6171-173.7-103.3000109.3M163 V166 A167 V171 G182 I183 H187M163-Y180 HydrophobicContact CG-CD1 4.07Å; M163-Y180 HydrophobicContact CG-CE1 4.21Å; M163-Y180 HydrophobicContact SD-CD1 3.95Å; M163-Y180 HydrophobicContact SD-CE1 3.53Å; M163-Y180 VanDerWaalsContact SD-CE1 3.53Å; V166-Y180 WeakPolarHBondContact CG1-OH 3.39Å; A167-Y180 HydrophobicContact CB-CD1 4.11Å; A167-Y180 HydrophobicContact CB-CD2 3.49Å; A167-Y180 VanDerWaalsContact CB-CD2 3.49Å; A167-Y180 HydrophobicContact CB-CE1 4.44Å; A167-Y180 HydrophobicContact CB-CE2 3.89Å; A167-Y180 HydrophobicContact CB-CG 3.6Å; V171-Y180 HydrophobicContact CG2-CD2 4.08Å; V171-Y180 HydrophobicContact CG2-CE2 3.88Å; Y180-G182 VanDerWaalsContact C-N 3.26Å; Y180-G182 VanDerWaalsContact CE1-O 3.31Å; Y180-G182 WeakPolarHBondContact CE1-O 3.39Å; Y180-G182 PolarHBondContact O-N 3.47Å; Y180-G182 PolarHBondContact OH-O 3.28Å; Y180-I183 HydrophobicContact CE1-CG1 4.29Å; Y180-H187 AromaticContact CZ-ND1 3.98Å; Y180-H187 PolarHBondContact OH-ND1 3.15Å
181E74.8Confident75Confident125 Ų12573.4 Ų73.458%0.58439%0.391SS*.  trans-64.4-28.7-174-65.7-177.716400113.2K130 F179K130-E181 HydrophobicContact CD-CB 4.3Å; K130-E181 IonicContact NZ-OE2 2.61Å; K130-E181 PolarHBondContact NZ-OE2 3.42Å; F179-E181 PolarHBondContact O-N 2.95Å; F179-E181 VanDerWaalsContact O-N 3.09Å
182G84.3Confident75.6Confident5 Ų572 Ų725%0.05238%0.382CS..  trans151.2173.3178.500000113.4I131 Y180 T184I131-G182 CarbonylContact O-C 3.35Å; I131-G182 VanDerWaalsContact O-CA 3.23Å; I131-G182 WeakPolarHBondContact O-CA 3.27Å; Y180-G182 VanDerWaalsContact C-N 3.26Å; Y180-G182 VanDerWaalsContact CE1-O 3.31Å; Y180-G182 WeakPolarHBondContact CE1-O 3.39Å; Y180-G182 PolarHBondContact O-N 3.47Å; Y180-G182 PolarHBondContact OH-O 3.28Å; G182-T184 PolarHBondContact O-N 3.09Å
183I86.4Confident76.7Confident4 Ų472.2 Ų72.22%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-76.9113177.5-51.1179.8000107.9F120 K130 I131 Y136 M163 V166 Y180 H187 F188 I191F120-I183 WeakPolarHBondContact CE2-O 3.46Å; K130-I183 CarbonylContact C-O 3.59Å; K130-I183 WeakPolarHBondContact CA-O 3.41Å; I131-I183 HydrophobicContact CB-CB 4.24Å; I131-I183 PolarHBondContact N-O 2.93Å; I131-I183 PolarHBondContact O-N 3.44Å; Y136-I183 HydrophobicContact CD2-CD1 4.41Å; M163-I183 HydrophobicContact CE-CD1 3.81Å; M163-I183 HydrophobicContact CE-CG1 3.79Å; M163-I183 HydrophobicContact SD-CD1 3.72Å; M163-I183 HydrophobicContact SD-CG1 3.41Å; M163-I183 WeakPolarHBondContact SD-CG1 3.47Å; V166-I183 HydrophobicContact CG1-CG1 4.29Å; Y180-I183 HydrophobicContact CE1-CG1 4.29Å; I183-H187 HydrophobicContact CG2-CB 3.65Å; I183-F188 HydrophobicContact CG2-CB 4.03Å; I183-F188 HydrophobicContact CG2-CD2 4.28Å; I183-I191 HydrophobicContact CD1-CD1 4.32Å; I183-I191 HydrophobicContact CG2-CD1 3.98Å
184T88.9Confident77.7Confident31 Ų3172.2 Ų72.219%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-75.4167.6171.773.60000110.2K130 G182 E186 H187 F188K130-T184 HydrophobicContact CG-CG2 4.41Å; G182-T184 PolarHBondContact O-N 3.09Å; T184-E186 WeakPolarHBondContact CB-OE2 3.41Å; T184-E186 PolarHBondContact O-N 3.43Å; T184-E186 PolarHBondContact OG1-N 3.32Å; T184-E186 PolarHBondContact OG1-OE2 3.48Å; T184-H187 PolarHBondContact N-ND1 3.39Å; T184-H187 PolarHBondContact O-N 3.14Å; T184-H187 PolarHBondContact OG1-N 2.9Å; T184-F188 PolarHBondContact O-N 3.17Å
185F87.4Confident78.5Confident4 Ų471.8 Ų71.82%0.01837%0.369CS..Hα-helixtrans-56.2-37.9175.3177.4-99.1000113R113 V116 R117 F120 F188 E189R113-F185 HydrophobicContact CG-CE1 4.34Å; R113-F185 HydrophobicContact CG-CZ 3.98Å; V116-F185 HydrophobicContact CB-CE2 4.48Å; V116-F185 HydrophobicContact CG1-CE2 3.88Å; V116-F185 HydrophobicContact CG1-CZ 4.28Å; R117-F185 HydrophobicContact CB-CE2 3.8Å; R117-F185 HydrophobicContact CB-CZ 4.29Å; R117-F185 HydrophobicContact CG-CE2 4.46Å; R117-F185 VanDerWaalsContact CZ-CD1 3.45Å; R117-F185 VanDerWaalsContact NH1-CD2 3.28Å; R117-F185 VanDerWaalsContact NH2-CG 3.26Å; F120-F185 HydrophobicContact CB-CD2 4.06Å; F120-F185 HydrophobicContact CD1-CD2 4.45Å; F120-F185 HydrophobicContact CD2-CB 4.41Å; F120-F185 HydrophobicContact CD2-CD2 4.29Å; F120-F185 HydrophobicContact CE2-CB 4.33Å; F120-F185 AromaticContact CG-CD2 4Å; F120-F185 HydrophobicContact CG-CD2 4Å; F120-F185 HydrophobicContact CZ-CB 4.43Å; F185-F188 PolarHBondContact O-N 2.91Å; F185-E189 HydrophobicContact CE1-CB 4.48Å; F185-E189 WeakPolarHBondContact O-CB 3.31Å; F185-E189 PolarHBondContact O-N 2.94Å
186E86.5Confident79.3Confident116 Ų11675.8 Ų75.854%0.54238%0.381SS..Hα-helixtrans-65.1-43.8179.2-62.967.9-146.100111T184 F188 E189 E190T184-E186 WeakPolarHBondContact CB-OE2 3.41Å; T184-E186 PolarHBondContact O-N 3.43Å; T184-E186 PolarHBondContact OG1-N 3.32Å; T184-E186 PolarHBondContact OG1-OE2 3.48Å; E186-F188 VanDerWaalsContact C-N 3.3Å; E186-F188 PolarHBondContact O-N 2.8Å; E186-E189 PolarHBondContact O-N 2.75Å; E186-E190 PolarHBondContact O-N 3.19Å
187H85.8Confident80.3Confident31 Ų3170.1 Ų70.114%0.14434%0.343CS..Hα-helixtrans-61.5-42.1173.2-58.9157000110.9V166 N170 Y180 I183 T184 E190 I191V166-H187 HydrophobicContact CG1-CB 4.32Å; N170-H187 WeakPolarHBondContact CB-NE2 3.43Å; N170-H187 VanDerWaalsContact CG-CD2 3.42Å; Y180-H187 AromaticContact CZ-ND1 3.98Å; Y180-H187 PolarHBondContact OH-ND1 3.15Å; I183-H187 HydrophobicContact CG2-CB 3.65Å; T184-H187 PolarHBondContact N-ND1 3.39Å; T184-H187 PolarHBondContact O-N 3.14Å; T184-H187 PolarHBondContact OG1-N 2.9Å; H187-E190 PolarHBondContact O-N 3.45Å; H187-I191 WeakPolarHBondContact O-CD1 3.44Å; H187-I191 WeakPolarHBondContact O-CG1 3.4Å; H187-I191 PolarHBondContact O-N 2.87Å
188F86.3Confident80.8Confident22 Ų2263.2 Ų63.210%0.09631%0.305CS..Hα-helixtrans-65.4-39.9179.8-162.8-105.1000112.5V116 L119 F120 I131 I183 T184 F185 E186 E190 I191 L192V116-F188 HydrophobicContact CG1-CD1 3.72Å; V116-F188 HydrophobicContact CG1-CE1 4.17Å; L119-F188 HydrophobicContact CB-CE1 4.24Å; L119-F188 HydrophobicContact CD2-CE1 4.08Å; L119-F188 HydrophobicContact CD2-CZ 3.92Å; L119-F188 HydrophobicContact CG-CE1 4.11Å; L119-F188 HydrophobicContact CG-CZ 3.97Å; F120-F188 HydrophobicContact CB-CD1 4.06Å; F120-F188 HydrophobicContact CB-CE1 4.27Å; F120-F188 HydrophobicContact CD2-CB 3.84Å; F120-F188 HydrophobicContact CD2-CD1 4.06Å; F120-F188 HydrophobicContact CD2-CD2 4.46Å; F120-F188 AromaticContact CD2-CG 3.89Å; F120-F188 HydrophobicContact CD2-CG 3.89Å; F120-F188 HydrophobicContact CE2-CB 4.33Å; I131-F188 HydrophobicContact CD1-CD2 3.93Å; I131-F188 HydrophobicContact CD1-CE2 3.98Å; I183-F188 HydrophobicContact CG2-CB 4.03Å; I183-F188 HydrophobicContact CG2-CD2 4.28Å; T184-F188 PolarHBondContact O-N 3.17Å; F185-F188 PolarHBondContact O-N 2.91Å; E186-F188 VanDerWaalsContact C-N 3.3Å; E186-F188 PolarHBondContact O-N 2.8Å; F188-E190 VanDerWaalsContact C-N 3.32Å; F188-I191 PolarHBondContact O-N 3.4Å; F188-L192 HydrophobicContact CD1-CD1 3.92Å; F188-L192 HydrophobicContact CE1-CD1 3.44Å; F188-L192 VanDerWaalsContact CE1-CD1 3.44Å; F188-L192 HydrophobicContact CE1-CG 4.45Å; F188-L192 HydrophobicContact CZ-CD1 3.83Å; F188-L192 WeakPolarHBondContact O-CG 3.38Å; F188-L192 PolarHBondContact O-N 3.38Å; F188-L192 VanDerWaalsContact O-N 3.14Å
189E85.8Confident81.1Confident62 Ų6261.5 Ų61.529%0.2930%0.301SS..Hα-helixtrans-63.4-39.3173.8-174166.9-140.700111.3V116 F185 E186 L192 K193V116-E189 HydrophobicContact CG1-CB 4.47Å; F185-E189 HydrophobicContact CE1-CB 4.48Å; F185-E189 WeakPolarHBondContact O-CB 3.31Å; F185-E189 PolarHBondContact O-N 2.94Å; E186-E189 PolarHBondContact O-N 2.75Å; E189-L192 PolarHBondContact O-N 2.97Å; E189-K193 PolarHBondContact O-N 3.34Å; E189-K193 VanDerWaalsContact O-N 3.15Å
190E84.8Confident81.7Confident88 Ų8862.4 Ų62.441%0.41130%0.3SS..Hα-helixtrans-69-42.3176.3-173.5161.5-168.300112.9N170 E186 H187 F188 L192 K193N170-E190 PolarHBondContact OD1-OE2 3.18Å; E186-E190 PolarHBondContact O-N 3.19Å; H187-E190 PolarHBondContact O-N 3.45Å; F188-E190 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.46Å; E190-K193 HydrophobicContact CG-CD 4.11Å; E190-K193 WeakPolarHBondContact O-CB 3.28Å; E190-K193 WeakPolarHBondContact O-CD 3.39Å; E190-K193 WeakPolarHBondContact O-CG 3.39Å; E190-K193 PolarHBondContact O-N 3.31Å; E190-K193 VanDerWaalsContact O-N 3.17Å; E190-K193 IonicContact OE1-NZ 2.78Å; E190-K193 PolarHBondContact OE1-NZ 3.07Å
191I83.8Confident82Confident74 Ų7462.1 Ų62.138%0.37930%0.3SS..Hα-helixtrans-58.6-39.5176.2-69.1161.3000110.7V166 I183 H187 F188V166-I191 HydrophobicContact CB-CD1 4.4Å; V166-I191 HydrophobicContact CG1-CD1 3.88Å; V166-I191 HydrophobicContact CG2-CD1 3.51Å; V166-I191 HydrophobicContact CG2-CG1 4.02Å; I183-I191 HydrophobicContact CD1-CD1 4.32Å; I183-I191 HydrophobicContact CG2-CD1 3.98Å; H187-I191 WeakPolarHBondContact O-CD1 3.44Å; H187-I191 WeakPolarHBondContact O-CG1 3.4Å; H187-I191 PolarHBondContact O-N 2.87Å; F188-I191 PolarHBondContact O-N 3.4Å
192L84.1Confident82.2Confident18 Ų1859.1 Ų59.19%0.09429%0.286CS..THydrogen-bonded Turntrans-89.21.7-177.7-62.6-178.7000113.5R112 V116 L119 F188 E189 E190 D194 L195 M197R112-L192 PolarHBondContact NH2-O 3.32Å; V116-L192 HydrophobicContact CG1-CD1 4.29Å; V116-L192 HydrophobicContact CG2-CD1 4.33Å; L119-L192 HydrophobicContact CD2-CD1 4.16Å; F188-L192 HydrophobicContact CD1-CD1 3.92Å; F188-L192 HydrophobicContact CE1-CD1 3.44Å; F188-L192 VanDerWaalsContact CE1-CD1 3.44Å; F188-L192 HydrophobicContact CE1-CG 4.45Å; F188-L192 HydrophobicContact CZ-CD1 3.83Å; F188-L192 WeakPolarHBondContact O-CG 3.38Å; F188-L192 PolarHBondContact O-N 3.38Å; F188-L192 VanDerWaalsContact O-N 3.14Å; E189-L192 PolarHBondContact O-N 2.97Å; E190-L192 PolarHBondContact O-N 3.46Å; L192-D194 PolarHBondContact O-N 2.88Å; L192-D194 VanDerWaalsContact O-N 3.13Å; L192-L195 HydrophobicContact CD2-CD1 3.46Å; L192-L195 VanDerWaalsContact CD2-CD1 3.46Å; L192-L195 WeakPolarHBondContact O-CB 3.43Å; L192-L195 PolarHBondContact O-N 3.44Å; L192-M197 HydrophobicContact CB-CG 4.47Å; L192-M197 HydrophobicContact CD1-CE 4.4Å; L192-M197 HydrophobicContact CD1-CG 4.47Å; L192-M197 HydrophobicContact CD1-SD 4.43Å
193K81.9Confident81.8Confident112 Ų11260.6 Ų60.649%0.48729%0.293SS..THydrogen-bonded Turntrans-54.4-36.9-17375.4-171.1165.2-164.80113.9R112 E189 E190 L195R112-K193 PolarHBondContact NH2-O 2.9Å; R112-K193 VanDerWaalsContact NH2-O 3.07Å; E189-K193 PolarHBondContact O-N 3.34Å; E189-K193 VanDerWaalsContact O-N 3.15Å; E190-K193 HydrophobicContact CG-CD 4.11Å; E190-K193 WeakPolarHBondContact O-CB 3.28Å; E190-K193 WeakPolarHBondContact O-CD 3.39Å; E190-K193 WeakPolarHBondContact O-CG 3.39Å; E190-K193 PolarHBondContact O-N 3.31Å; E190-K193 VanDerWaalsContact O-N 3.17Å; E190-K193 IonicContact OE1-NZ 2.78Å; E190-K193 PolarHBondContact OE1-NZ 3.07Å; K193-L195 VanDerWaalsContact C-N 3.34Å
194D81Confident80.8Confident144 Ų14470 Ų7077%0.7733%0.329SS*.THydrogen-bonded Turntrans-85-8.9-178-61.1-41.9000113.2L192L192-D194 PolarHBondContact O-N 2.88Å; L192-D194 VanDerWaalsContact O-N 3.13Å
195L80.4Confident79.7Confident60 Ų6074.2 Ų74.231%0.31434%0.344SS..SBendtrans-94.4121.3176.8-72.4162.2000110R112 L192 K193 M197R112-L195 PolarHBondContact NH1-O 2.94Å; R112-L195 PolarHBondContact NH2-O 3.24Å; L192-L195 HydrophobicContact CD2-CD1 3.46Å; L192-L195 VanDerWaalsContact CD2-CD1 3.46Å; L192-L195 WeakPolarHBondContact O-CB 3.43Å; L192-L195 PolarHBondContact O-N 3.44Å; K193-L195 VanDerWaalsContact C-N 3.34Å; L195-M197 HydrophobicContact CB-CG 4.43Å; L195-M197 HydrophobicContact CB-SD 4.11Å; L195-M197 PolarHBondContact O-N 3.43Å
196E77.8Confident78.3Confident110 Ų11074.2 Ų74.251%0.51435%0.345SS..  trans-71.471.9173.4-64.4-177.4155.300111.8E198 S199 R200E196-E198 PolarHBondContact O-N 2.93Å; E196-S199 PolarHBondContact O-N 3.46Å; E196-R200 PolarHBondContact O-N 3.44Å
197M79.5Confident76.8Confident21 Ų2173.4 Ų73.410%0.10334%0.344CS..Hα-helixtrans-58.1-33.5-178.2-65.9-55.8-7000112.5V116 L119 L192 L195 S199 R200 M201V116-M197 HydrophobicContact CG2-CB 4.36Å; V116-M197 HydrophobicContact CG2-CG 4.09Å; L119-M197 HydrophobicContact CD2-CE 3.81Å; L192-M197 HydrophobicContact CB-CG 4.47Å; L192-M197 HydrophobicContact CD1-CE 4.4Å; L192-M197 HydrophobicContact CD1-CG 4.47Å; L192-M197 HydrophobicContact CD1-SD 4.43Å; L195-M197 HydrophobicContact CB-CG 4.43Å; L195-M197 HydrophobicContact CB-SD 4.11Å; L195-M197 PolarHBondContact O-N 3.43Å; M197-S199 PolarHBondContact O-N 2.96Å; M197-R200 PolarHBondContact O-N 3.25Å; M197-M201 WeakPolarHBondContact O-CB 3.31Å; M197-M201 PolarHBondContact O-N 2.84Å
198E71.6Confident75Confident14 Ų1476.1 Ų76.17%0.06536%0.358CS..Hα-helixtrans-60.4-33.7177.266.2-76.3-178.800113.1L99 R112 K115 E196L99-E198 HydrophobicContact CD1-CB 3.64Å; L99-E198 HydrophobicContact CD1-CG 3.27Å; L99-E198 HydrophobicContact CD2-CB 4.07Å; L99-E198 HydrophobicContact CD2-CG 4.48Å; L99-E198 HydrophobicContact CG-CB 3.92Å; L99-E198 HydrophobicContact CG-CG 4.13Å; R112-E198 HydrophobicContact CB-CB 4.46Å; R112-E198 IonicContact CZ-OE2 2.94Å; R112-E198 IonicContact NH1-OE1 3.97Å; R112-E198 IonicContact NH1-OE2 3.9Å; R112-E198 PolarHBondContact NH1-OE2 3.33Å; K115-E198 PolarHBondContact NZ-O 3.18Å; E196-E198 PolarHBondContact O-N 2.93Å
199S72.8Confident72.9Confident61 Ų6179.4 Ų79.443%0.42738%0.377SS..Hα-helixtrans-89.5-34.4177.7-176.60000112.3E196 M197 H202E196-S199 PolarHBondContact O-N 3.46Å; M197-S199 PolarHBondContact O-N 2.96Å; S199-H202 PolarHBondContact O-CE1 3.36Å; S199-H202 PolarHBondContact O-ND1 2.84Å
200R78.8Confident70.9Confident179 Ų17980.2 Ų80.268%0.67539%0.386SS*.Hα-helixtrans-83.7-35.5-175.1-67.8-172178.7-163.72.6114.3E196 M197 H202E196-R200 PolarHBondContact O-N 3.44Å; M197-R200 PolarHBondContact O-N 3.25Å; R200-H202 PolarHBondContact O-N 3.1Å
201M80.3Confident68.9Low24 Ų2480.1 Ų80.112%0.11840%0.4CS..SBendtrans-94.673.6-177.8-172.9-179.9166.400110.1F96 K115 F118 M197F96-M201 HydrophobicContact CD1-CE 3.93Å; F96-M201 HydrophobicContact CD1-CG 3.87Å; F96-M201 HydrophobicContact CE1-CE 3.37Å; F96-M201 HydrophobicContact CE1-CG 3.92Å; F96-M201 HydrophobicContact CE1-SD 4.49Å; F96-M201 HydrophobicContact CE2-CE 4.48Å; F96-M201 HydrophobicContact CZ-CE 3.7Å; K115-M201 HydrophobicContact CB-SD 3.82Å; K115-M201 HydrophobicContact CD-CB 4.26Å; K115-M201 HydrophobicContact CG-SD 4.16Å; K115-M201 PolarHBondContact NZ-O 3.08Å; F118-M201 HydrophobicContact CB-CE 4.29Å; F118-M201 HydrophobicContact CD1-CE 3.3Å; F118-M201 HydrophobicContact CE1-CE 3.9Å; F118-M201 HydrophobicContact CG-CE 4.03Å; M197-M201 WeakPolarHBondContact O-CB 3.31Å; M197-M201 PolarHBondContact O-N 2.84Å
202H78.8Confident66.8Low62 Ų6282.2 Ų82.229%0.28741%0.412SS..  trans-138.8153.5173.675.4-84000111.8F96 P98 S199 R200 R204F96-H202 VanDerWaalsContact O-CA 3.28Å; F96-H202 WeakPolarHBondContact O-CA 3.44Å; P98-H202 HydrophobicContact CB-CB 4.19Å; S199-H202 PolarHBondContact O-CE1 3.36Å; S199-H202 PolarHBondContact O-ND1 2.84Å; R200-H202 PolarHBondContact O-N 3.1Å; H202-R204 WeakPolarHBondContact NE2-CG 3.44Å
203V74.5Confident64.6Low35 Ų3587.6 Ų87.621%0.21244%0.44CS..  trans-102.7110.7177.2170.40000109.6F96 F205 L206F96-V203 HydrophobicContact CB-CB 4.31Å; F96-V203 HydrophobicContact CB-CG2 3.74Å; F96-V203 HydrophobicContact CD1-CG2 4.28Å; F96-V203 HydrophobicContact CG-CG2 4.14Å; F96-V203 PolarHBondContact O-N 3.25Å; F96-V203 VanDerWaalsContact O-N 3.1Å; V203-F205 VanDerWaalsContact C-N 3.26Å; V203-F205 HydrophobicContact CB-CE1 4.43Å; V203-F205 HydrophobicContact CG1-CD1 3.15Å; V203-F205 HydrophobicContact CG1-CD2 4.08Å; V203-F205 HydrophobicContact CG1-CE1 2.97Å; V203-F205 HydrophobicContact CG1-CE2 3.9Å; V203-F205 HydrophobicContact CG1-CG 3.73Å; V203-F205 HydrophobicContact CG1-CZ 3.36Å; V203-F205 PolarHBondContact O-N 3.01Å; V203-F205 VanDerWaalsContact O-N 3.17Å; V203-L206 HydrophobicContact CB-CD1 3.78Å; V203-L206 HydrophobicContact CB-CG 4.04Å; V203-L206 HydrophobicContact CG1-CD1 4.25Å; V203-L206 HydrophobicContact CG1-CG 4.01Å; V203-L206 VanDerWaalsContact O-CB 3.27Å; V203-L206 WeakPolarHBondContact O-CB 3.42Å; V203-L206 PolarHBondContact O-N 2.89Å
204R66.1Low62.4Low202 Ų20293.6 Ų93.676%0.76246%0.46SS*.G310 helixtrans-58.2-30.2-173.2-69.1-178.2-178.3176.81.8114.8H202 L206 D207H202-R204 WeakPolarHBondContact NE2-CG 3.44Å; R204-L206 PolarHBondContact O-N 2.86Å; R204-D207 WeakPolarHBondContact O-CB 3.4Å; R204-D207 PolarHBondContact O-N 3.03Å; R204-D207 VanDerWaalsContact O-N 3.13Å
205F65.4Low60.2Low119 Ų11992.6 Ų92.652%0.52246%0.462SS..G310 helixtrans-70.6-19.2178.371.1-109.6000112.9L29 M93 V203 D207 M208L29-F205 HydrophobicContact CD2-CE2 4.14Å; M93-F205 HydrophobicContact CE-CE2 4.45Å; M93-F205 HydrophobicContact CE-CZ 4Å; V203-F205 VanDerWaalsContact C-N 3.26Å; V203-F205 HydrophobicContact CB-CE1 4.43Å; V203-F205 HydrophobicContact CG1-CD1 3.15Å; V203-F205 HydrophobicContact CG1-CD2 4.08Å; V203-F205 HydrophobicContact CG1-CE1 2.97Å; V203-F205 HydrophobicContact CG1-CE2 3.9Å; V203-F205 HydrophobicContact CG1-CG 3.73Å; V203-F205 HydrophobicContact CG1-CZ 3.36Å; V203-F205 PolarHBondContact O-N 3.01Å; V203-F205 VanDerWaalsContact O-N 3.17Å; F205-D207 PolarHBondContact O-N 2.61Å; F205-M208 PolarHBondContact O-N 3.09Å
206L59.1Low58.1Low5 Ų593 Ų933%0.02648%0.481CS..G310 helixtrans-68.6-24172.7-62.1173.5000111.3F21 Q25 L29 M93 V203 R204 M208F21-L206 HydrophobicContact CE1-CD1 3.97Å; F21-L206 HydrophobicContact CE1-CD2 3.95Å; F21-L206 HydrophobicContact CE1-CG 4.4Å; F21-L206 HydrophobicContact CZ-CD1 4.14Å; F21-L206 HydrophobicContact CZ-CD2 4.34Å; Q25-L206 PolarHBondContact NE2-O 3.41Å; L29-L206 HydrophobicContact CD1-CD2 3.95Å; L29-L206 HydrophobicContact CD2-CD2 3.86Å; L29-L206 HydrophobicContact CG-CD2 4.12Å; M93-L206 HydrophobicContact CE-CD1 4.24Å; M93-L206 HydrophobicContact CE-CD2 4.33Å; V203-L206 HydrophobicContact CB-CD1 3.78Å; V203-L206 HydrophobicContact CB-CG 4.04Å; V203-L206 HydrophobicContact CG1-CD1 4.25Å; V203-L206 HydrophobicContact CG1-CG 4.01Å; V203-L206 VanDerWaalsContact O-CB 3.27Å; V203-L206 WeakPolarHBondContact O-CB 3.42Å; V203-L206 PolarHBondContact O-N 2.89Å; R204-L206 PolarHBondContact O-N 2.86Å; L206-M208 VanDerWaalsContact C-N 3.32Å
207D53.5Low55.9Low99 Ų99101.1 Ų101.153%0.52952%0.515SS..G310 helixtrans-84.5-7.5177.7-151.516000112.6P98 R204 F205 N209P98-D207 HydrophobicContact CG-CB 4.49Å; R204-D207 WeakPolarHBondContact O-CB 3.4Å; R204-D207 PolarHBondContact O-N 3.03Å; R204-D207 VanDerWaalsContact O-N 3.13Å; F205-D207 PolarHBondContact O-N 2.61Å; D207-N209 VanDerWaalsContact C-N 3.31Å; D207-N209 PolarHBondContact O-N 3.11Å
208M48.7Very low54.7Low87 Ų87105.1 Ų105.143%0.42954%0.535SS..  trans-7684.8176.4-70.2-14885.800110.9F205 L206 T210 N212F205-M208 PolarHBondContact O-N 3.09Å; L206-M208 VanDerWaalsContact C-N 3.32Å; M208-T210 PolarHBondContact O-N 2.96Å; M208-N212 HydrophobicContact CE-CB 3.47Å; M208-N212 VanDerWaalsContact CE-CB 3.47Å
209N43.3Very low53.8Low92 Ų92109.9 Ų109.949%0.49256%0.56SS.*  trans-53.6131.8149.3-76.3-34.8000107.8D207 A211 N212D207-N209 VanDerWaalsContact C-N 3.31Å; D207-N209 PolarHBondContact O-N 3.11Å; N209-A211 PolarHBondContact O-N 3.49Å; N209-N212 PolarHBondContact O-N 3.47Å; N209-N212 VanDerWaalsContact O-N 3.13Å
210T42.4Very low52.8Low78 Ų78112.6 Ų112.648%0.47957%0.567SS.*G310 helixtrans-51.7-9.4-178.944.40000114.8E24 M208 N212E24-T210 PolarHBondContact OE2-OG1 3.19Å; M208-T210 PolarHBondContact O-N 2.96Å; T210-N212 VanDerWaalsContact C-N 3.34Å; T210-N212 PolarHBondContact O-N 3.05Å
211A42.6Very low51.3Low86 Ų86108.7 Ų108.771%0.71156%0.561SS**G310 helixtrans-64.9-25.8172.500000115.1N209N209-A211 PolarHBondContact O-N 3.49Å
212N39.5Very low49.4Very low119 Ų119114 Ų11464%0.63659%0.589SS**G310 helixtrans-90.12.6-177.5-74.5-28.4000114.3M208 N209 T210 R214M208-N212 HydrophobicContact CE-CB 3.47Å; M208-N212 VanDerWaalsContact CE-CB 3.47Å; N209-N212 PolarHBondContact O-N 3.47Å; N209-N212 VanDerWaalsContact O-N 3.13Å; T210-N212 VanDerWaalsContact C-N 3.34Å; T210-N212 PolarHBondContact O-N 3.05Å; N212-R214 PolarHBondContact O-N 3.05Å
213L39.7Very low47.5Very low131 Ų131117.5 Ų117.569%0.68661%0.609SS**  trans-79.363.3169.4-84.4151.6000110.9
214R34.4Very low45.6Very low238 Ų238123.4 Ų123.490%0.89864%0.637SS**  trans-94.587.8147.1-77.9-164.7-179.5-167.12.3107.1N212 G216N212-R214 PolarHBondContact O-N 3.05Å; R214-G216 PolarHBondContact O-N 2.95Å
215C34.3Very low44Very low122 Ų122117.3 Ų117.382%0.82463%0.627SS**  trans-58.6109.4162.4-147.30000106.6K217C215-K217 PolarHBondContact O-N 2.81Å
216G36.4Very low42.2Very low68 Ų68117.2 Ų117.270%0.70164%0.636SS**  trans-59.2131.8168.200000108.4R214R214-G216 PolarHBondContact O-N 2.95Å
217K32.5Very low40.7Very low281 Ų281127.4 Ų127.4100%1.22269%0.692SS**  trans-58.50174.6-75.5178.2174.6176.30111.9C215C215-K217 PolarHBondContact O-N 2.81Å

Retrieved 217 of 217 residues in 80.1 ms (Link to these results)

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