A0A060WHC5_ONCMY Loading...

Acyltransferase

AlphaFold DB , UniProt , Accession A0A060WHC5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110537460, Length 335 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
1M63.1Low83.7Confident186 Ų186109.5 Ų109.592%0.91657%0.568SS**  0128.10-155.5165.292.800108.4S271 F272M1-S271 WeakPolarHBondContact CE-O 2.96Å; M1-F272 HydrophobicContact CE-CB 4.33Å
2K79.3Confident84.5Confident203 Ų203110.3 Ų110.388%0.88357%0.573SS**  trans-73.7131.8176.6-73.4-176.7178.11790109.1S271K2-S271 PolarHBondContact O-OG 3.27Å
3I83.9Confident85.3Confident86 Ų86107.7 Ų107.744%0.44157%0.565SS.*  trans-79.7122178.3-60.3173.8000108.8F5 Q269 S271 F272I3-F5 HydrophobicContact CB-CE2 4.19Å; I3-F5 HydrophobicContact CB-CZ 4.45Å; I3-F5 HydrophobicContact CG2-CD1 4.35Å; I3-F5 HydrophobicContact CG2-CD2 4.07Å; I3-F5 HydrophobicContact CG2-CE1 4.02Å; I3-F5 HydrophobicContact CG2-CE2 3.72Å; I3-F5 HydrophobicContact CG2-CG 4.38Å; I3-F5 HydrophobicContact CG2-CZ 3.69Å; I3-Q269 HydrophobicContact CG2-CB 3.85Å; I3-Q269 HydrophobicContact CG2-CG 4.01Å; I3-S271 WeakPolarHBondContact CA-OG 3.32Å; I3-F272 HydrophobicContact CD1-CE1 4.17Å; I3-F272 HydrophobicContact CG1-CE1 4.22Å
4Q86.8Confident85.9Confident123 Ų123107.6 Ų107.658%0.57555%0.553SS**  trans-98.8101.6174.6-171.7-18011.500109.2Q269 Y270 S271Q4-Q269 CarbonylContact O-C 3.52Å; Q4-Q269 VanDerWaalsContact O-CA 3.29Å; Q4-Q269 WeakPolarHBondContact O-CA 3.2Å; Q4-Q269 VanDerWaalsContact O-CB 3.31Å; Q4-Q269 WeakPolarHBondContact O-CB 3.44Å; Q4-Y270 HydrophobicContact CG-CD2 4.09Å; Q4-Y270 PolarHBondContact O-N 2.58Å; Q4-S271 PolarHBondContact N-OG 3.41Å
5F87.9Confident86.5Confident140 Ų140108.5 Ų108.561%0.61455%0.547SS*.BIsolated β-bridgetrans-71150.8177.9-69.8-80.5000112.1I3 Q269I3-F5 HydrophobicContact CB-CE2 4.19Å; I3-F5 HydrophobicContact CB-CZ 4.45Å; I3-F5 HydrophobicContact CG2-CD1 4.35Å; I3-F5 HydrophobicContact CG2-CD2 4.07Å; I3-F5 HydrophobicContact CG2-CE1 4.02Å; I3-F5 HydrophobicContact CG2-CE2 3.72Å; I3-F5 HydrophobicContact CG2-CG 4.38Å; I3-F5 HydrophobicContact CG2-CZ 3.69Å; F5-Q269 HydrophobicContact CD1-CB 4.05Å; F5-Q269 HydrophobicContact CE1-CB 4.49Å
6A82.3Confident87.2Confident23 Ų23105.4 Ų105.419%0.1953%0.532CS..PPolyproline II helixtrans-68.5141171.100000110L10 F268 Y270A6-L10 HydrophobicContact CB-CD1 4.05Å; A6-F268 WeakPolarHBondContact CB-O 3.47Å; A6-F268 PolarHBondContact N-O 2.82Å; A6-Y270 HydrophobicContact CB-CE1 3.76Å
7P84.5Confident87.8Confident62 Ų62100.2 Ų100.240%0.40351%0.505SS..PPolyproline II helixtrans-57.5145.1173.8-23.333.7000111.9D9 L10 Y270P7-D9 VanDerWaalsContact C-N 3.31Å; P7-D9 WeakPolarHBondContact CB-OD1 3.38Å; P7-L10 HydrophobicContact CB-CG 4.38Å; P7-L10 WeakPolarHBondContact O-CD1 3.32Å; P7-L10 WeakPolarHBondContact O-CG 3.26Å; P7-Y270 WeakPolarHBondContact CD-OH 3.36Å
8T82.6Confident88.2Confident131 Ų13195.6 Ų95.680%0.80448%0.482SS*.THydrogen-bonded Turntrans-75.9-20.4179.948.80000112.8R15T8-R15 PolarHBondContact O-NH2 3.32Å
9D87Confident88.7Confident132 Ų13293.2 Ų93.271%0.70648%0.479SS*.THydrogen-bonded Turntrans-93.219.1-176.265.6-20.6000114.1P7P7-D9 VanDerWaalsContact C-N 3.31Å; P7-D9 WeakPolarHBondContact CB-OD1 3.38Å
10L88.9Confident89.1Confident38 Ų3888.7 Ų88.720%0.19946%0.455CS..  trans-62.3132.5179.3-73.8171.2000112.5A6 P7 R15A6-L10 HydrophobicContact CB-CD1 4.05Å; P7-L10 HydrophobicContact CB-CG 4.38Å; P7-L10 WeakPolarHBondContact O-CD1 3.32Å; P7-L10 WeakPolarHBondContact O-CG 3.26Å; L10-R15 PolarHBondContact O-NE 2.65Å; L10-R15 PolarHBondContact O-NH2 2.82Å
11P94Very high89.5Confident80 Ų8084.4 Ų84.452%0.51943%0.434SS..  trans-55.7149175.6-25.932.9000112.9T13 R14 R15P11-T13 PolarHBondContact O-N 3.09Å; P11-R14 WeakPolarHBondContact O-CB 3.45Å; P11-R14 PolarHBondContact O-N 3.15Å; P11-R15 PolarHBondContact O-N 3.48Å
12L93.8Very high91.1Very high120 Ų12078.5 Ų78.563%0.62841%0.405SS*.Hα-helixtrans-53.1-41.7179.1-179.761.6000112.1R14 R15 L16L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.25Å; L12-R15 WeakPolarHBondContact O-CA 3.29Å; L12-R15 WeakPolarHBondContact O-CB 3.44Å; L12-R15 PolarHBondContact O-N 2.9Å; L12-L16 HydrophobicContact CD1-CG 4.27Å; L12-L16 HydrophobicContact CG-CD1 4.04Å; L12-L16 HydrophobicContact CG-CG 4.26Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.8Å
13T95.1Very high92Very high76 Ų7671.7 Ų71.747%0.46638%0.377SS..Hα-helixtrans-55.2-43.2176.7-48.60000112.1P11 R15 L16 Q17 Y83P11-T13 PolarHBondContact O-N 3.09Å; T13-R15 PolarHBondContact O-N 2.79Å; T13-L16 PolarHBondContact O-N 3.13Å; T13-Q17 WeakPolarHBondContact O-CB 3.37Å; T13-Q17 VanDerWaalsContact O-CG 3.22Å; T13-Q17 WeakPolarHBondContact O-CG 3.37Å; T13-Q17 PolarHBondContact O-N 3.01Å; T13-Y83 HydrophobicContact CG2-CE1 4.47Å
14R94.1Very high92.6Very high107 Ų10767.9 Ų67.940%0.40436%0.357SS..Hα-helixtrans-67.9-25.7178.9-70.6-78.5-99.7-179.9-7.4112.2P11 L12 M18 R278P11-R14 WeakPolarHBondContact O-CB 3.45Å; P11-R14 PolarHBondContact O-N 3.15Å; L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.25Å; R14-M18 PolarHBondContact O-N 2.85Å; R14-R278 VanDerWaalsContact NE-NH1 3.11Å; R14-R278 VanDerWaalsContact NH1-NH1 3.11Å; R14-R278 PolarHBondContact O-NH2 3.19Å
15R94.4Very high93Very high120 Ų12062.2 Ų62.245%0.45333%0.331SS..Hα-helixtrans-78.5-40.9174.4-59.7177.5-172.8-100.71.3111.4T8 L10 P11 L12 T13 M18 A19T8-R15 PolarHBondContact O-NH2 3.32Å; L10-R15 PolarHBondContact O-NE 2.65Å; L10-R15 PolarHBondContact O-NH2 2.82Å; P11-R15 PolarHBondContact O-N 3.48Å; L12-R15 WeakPolarHBondContact O-CA 3.29Å; L12-R15 WeakPolarHBondContact O-CB 3.44Å; L12-R15 PolarHBondContact O-N 2.9Å; T13-R15 PolarHBondContact O-N 2.79Å; R15-M18 CarbonylContact O-C 3.56Å; R15-M18 WeakPolarHBondContact O-CB 3.3Å; R15-M18 PolarHBondContact O-N 2.75Å; R15-M18 VanDerWaalsContact O-N 3.13Å; R15-A19 WeakPolarHBondContact O-CB 3.33Å; R15-A19 PolarHBondContact O-N 2.72Å
16L96.9Very high93.4Very high59 Ų5960.2 Ų60.231%0.30932%0.322SS..Hα-helixtrans-64.2-42.2174.9-66.6174.5000111.6L12 T13 M18 A19 S20 Y83L12-L16 HydrophobicContact CD1-CG 4.27Å; L12-L16 HydrophobicContact CG-CD1 4.04Å; L12-L16 HydrophobicContact CG-CG 4.26Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.8Å; T13-L16 PolarHBondContact O-N 3.13Å; L16-M18 VanDerWaalsContact C-N 3.29Å; L16-M18 PolarHBondContact O-N 3.47Å; L16-A19 PolarHBondContact O-N 3.25Å; L16-S20 PolarHBondContact O-N 3.49Å; L16-S20 PolarHBondContact O-OG 2.76Å; L16-Y83 HydrophobicContact CB-CD1 3.92Å; L16-Y83 HydrophobicContact CB-CD2 4.13Å; L16-Y83 HydrophobicContact CB-CE1 3.94Å; L16-Y83 HydrophobicContact CB-CE2 4.16Å; L16-Y83 HydrophobicContact CB-CG 4.03Å; L16-Y83 HydrophobicContact CD1-CE1 3.94Å; L16-Y83 HydrophobicContact CD1-CE2 4.09Å; L16-Y83 WeakPolarHBondContact CD1-OH 3.03Å
17Q97.5Very high94Very high17 Ų1759.4 Ų59.48%0.07932%0.315CS..Hα-helixtrans-57.1-39.8169.3-71176.1-11.700112.7T13 S20 V21 Y83 D86 Y87T13-Q17 WeakPolarHBondContact O-CB 3.37Å; T13-Q17 VanDerWaalsContact O-CG 3.22Å; T13-Q17 WeakPolarHBondContact O-CG 3.37Å; T13-Q17 PolarHBondContact O-N 3.01Å; Q17-S20 PolarHBondContact O-OG 2.89Å; Q17-V21 WeakPolarHBondContact O-CG2 3.46Å; Q17-V21 PolarHBondContact O-N 2.96Å; Q17-Y83 HydrophobicContact CG-CD1 4.42Å; Q17-Y83 WeakPolarHBondContact CG-O 3.37Å; Q17-D86 PolarHBondContact NE2-O 2.94Å; Q17-Y87 HydrophobicContact CB-CD2 4.05Å; Q17-Y87 WeakPolarHBondContact O-CD2 3.49Å
18M95.9Very high94.2Very high17 Ų1759.3 Ų59.38%0.08431%0.308CS..Hα-helixtrans-69.2-45175.5175.35474.400111.3R14 R15 L16 S20 V21 L22 Y87 R265 I275R14-M18 PolarHBondContact O-N 2.85Å; R15-M18 CarbonylContact O-C 3.56Å; R15-M18 WeakPolarHBondContact O-CB 3.3Å; R15-M18 PolarHBondContact O-N 2.75Å; R15-M18 VanDerWaalsContact O-N 3.13Å; L16-M18 VanDerWaalsContact C-N 3.29Å; L16-M18 PolarHBondContact O-N 3.47Å; M18-S20 VanDerWaalsContact C-N 3.32Å; M18-S20 PolarHBondContact O-N 3.15Å; M18-V21 PolarHBondContact O-N 2.88Å; M18-L22 WeakPolarHBondContact O-CB 3.45Å; M18-L22 PolarHBondContact O-N 3.43Å; M18-Y87 HydrophobicContact CE-CE2 3.97Å; M18-Y87 HydrophobicContact SD-CE2 4.44Å; M18-R265 VanDerWaalsContact CE-CZ 3.49Å; M18-I275 HydrophobicContact CE-CG2 4Å; M18-I275 HydrophobicContact SD-CG2 3.75Å
19A96.8Very high94.6Very high51 Ų5156.6 Ų56.642%0.42129%0.289SS..Hα-helixtrans-62.2-38.8179.800000111.9R15 L16 L22 Q23R15-A19 WeakPolarHBondContact O-CB 3.33Å; R15-A19 PolarHBondContact O-N 2.72Å; L16-A19 PolarHBondContact O-N 3.25Å; A19-L22 PolarHBondContact O-N 3.38Å; A19-Q23 VanDerWaalsContact O-CB 3.3Å; A19-Q23 WeakPolarHBondContact O-CB 3.31Å; A19-Q23 PolarHBondContact O-N 3.01Å
20S97.7Very high95Very high2 Ų251.2 Ų51.21%0.01426%0.264CS..Hα-helixtrans-64.6-44.8175.760.70000112L16 Q17 M18 Q23 W24 V80 M84L16-S20 PolarHBondContact O-N 3.49Å; L16-S20 PolarHBondContact O-OG 2.76Å; Q17-S20 PolarHBondContact O-OG 2.89Å; M18-S20 VanDerWaalsContact C-N 3.32Å; M18-S20 PolarHBondContact O-N 3.15Å; S20-Q23 PolarHBondContact O-N 3.45Å; S20-W24 PolarHBondContact O-N 2.88Å; S20-V80 VanDerWaalsContact CB-CG2 3.48Å; S20-V80 VanDerWaalsContact CB-O 3.25Å; S20-V80 WeakPolarHBondContact CB-O 3.15Å; S20-M84 PolarHBondContact OG-N 3.04Å
21V97.6Very high95.3Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-66.6-40.81761740000111.5Q17 M18 Q23 W24 V25 M84 Y87 F88 I275 P276Q17-V21 WeakPolarHBondContact O-CG2 3.46Å; Q17-V21 PolarHBondContact O-N 2.96Å; M18-V21 PolarHBondContact O-N 2.88Å; V21-Q23 VanDerWaalsContact C-N 3.35Å; V21-Q23 PolarHBondContact O-N 3.42Å; V21-W24 PolarHBondContact O-N 2.79Å; V21-V25 HydrophobicContact CG1-CG2 4.17Å; V21-V25 WeakPolarHBondContact O-CB 3.48Å; V21-V25 WeakPolarHBondContact O-CG2 3.48Å; V21-V25 PolarHBondContact O-N 3.42Å; V21-M84 HydrophobicContact CG2-CG 4.1Å; V21-Y87 HydrophobicContact CB-CD2 4.35Å; V21-Y87 HydrophobicContact CB-CE2 4.36Å; V21-Y87 HydrophobicContact CB-CG 4.47Å; V21-Y87 HydrophobicContact CG1-CE1 4.35Å; V21-Y87 HydrophobicContact CG2-CD1 3.57Å; V21-Y87 HydrophobicContact CG2-CD2 3.68Å; V21-Y87 HydrophobicContact CG2-CE1 4Å; V21-Y87 HydrophobicContact CG2-CE2 4.1Å; V21-Y87 HydrophobicContact CG2-CG 3.4Å; V21-Y87 VanDerWaalsContact CG2-CG 3.4Å; V21-F88 HydrophobicContact CG1-CZ 4.29Å; V21-F88 HydrophobicContact CG2-CE2 3.82Å; V21-F88 HydrophobicContact CG2-CZ 4.15Å; V21-I275 HydrophobicContact CG1-CG2 3.92Å; V21-P276 HydrophobicContact CG1-CG 3.84Å
22L96.8Very high95.4Very high61 Ų6147.2 Ų47.232%0.31924%0.238SC..Hα-helixtrans-60-45.7175.1176.162.6000111.3M18 A19 W24 V25 F26 I267 I275M18-L22 WeakPolarHBondContact O-CB 3.45Å; M18-L22 PolarHBondContact O-N 3.43Å; A19-L22 PolarHBondContact O-N 3.38Å; L22-W24 VanDerWaalsContact C-N 3.33Å; L22-W24 PolarHBondContact O-N 2.87Å; L22-V25 PolarHBondContact O-N 3.21Å; L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.32Å; L22-F26 PolarHBondContact O-N 3.07Å; L22-I267 HydrophobicContact CD1-CD1 3.7Å; L22-I267 HydrophobicContact CD1-CG1 4.06Å; L22-I267 HydrophobicContact CD2-CD1 3.93Å; L22-I267 HydrophobicContact CD2-CG1 4.45Å; L22-I267 HydrophobicContact CG-CD1 4.49Å; L22-I275 HydrophobicContact CB-CD1 4.43Å; L22-I275 HydrophobicContact CD1-CD1 3.78Å
23Q96.6Very high95.6Very high60 Ų6044.9 Ų44.928%0.2823%0.23SC..Hα-helixtrans-60.9-42.2176.2176.5-87.3-44.700111.5A19 S20 V21 S27 Y155A19-Q23 VanDerWaalsContact O-CB 3.3Å; A19-Q23 WeakPolarHBondContact O-CB 3.31Å; A19-Q23 PolarHBondContact O-N 3.01Å; S20-Q23 PolarHBondContact O-N 3.45Å; V21-Q23 VanDerWaalsContact C-N 3.35Å; V21-Q23 PolarHBondContact O-N 3.42Å; Q23-S27 PolarHBondContact NE2-OG 3.42Å; Q23-S27 WeakPolarHBondContact O-CB 3.27Å; Q23-S27 PolarHBondContact O-N 3.1Å; Q23-S27 PolarHBondContact O-OG 2.83Å; Q23-Y155 PolarHBondContact NE2-OH 3.23Å
24W96.7Very high95.7Very high7 Ų743.7 Ų43.73%0.02722%0.224CC..Hα-helixtrans-66.5-47176.8176.879.4000112.7S20 V21 L22 F26 S27 F28 M84 L114 A116 F119S20-W24 PolarHBondContact O-N 2.88Å; V21-W24 PolarHBondContact O-N 2.79Å; L22-W24 VanDerWaalsContact C-N 3.33Å; L22-W24 PolarHBondContact O-N 2.87Å; W24-F26 VanDerWaalsContact C-N 3.33Å; W24-F26 PolarHBondContact O-N 3.2Å; W24-S27 WeakPolarHBondContact O-CB 3.22Å; W24-S27 PolarHBondContact O-N 3.02Å; W24-S27 VanDerWaalsContact O-N 3.11Å; W24-F28 PolarHBondContact O-N 2.91Å; W24-M84 HydrophobicContact CB-CE 3.92Å; W24-M84 HydrophobicContact CB-SD 3.99Å; W24-M84 HydrophobicContact CD2-CE 3.16Å; W24-M84 HydrophobicContact CD2-SD 4.31Å; W24-M84 HydrophobicContact CE3-CE 3.5Å; W24-M84 HydrophobicContact CG-CE 3.34Å; W24-M84 HydrophobicContact CG-SD 3.85Å; W24-M84 HydrophobicContact CH2-CE 4.32Å; W24-M84 HydrophobicContact CZ2-CE 4.09Å; W24-M84 HydrophobicContact CZ3-CE 4.07Å; W24-L114 HydrophobicContact CH2-CB 3.42Å; W24-L114 VanDerWaalsContact CH2-CB 3.42Å; W24-L114 HydrophobicContact CH2-CD1 4Å; W24-L114 HydrophobicContact CH2-CG 4.38Å; W24-L114 HydrophobicContact CZ2-CB 4.17Å; W24-L114 WeakPolarHBondContact CZ2-O 3.37Å; W24-L114 HydrophobicContact CZ3-CB 4.12Å; W24-L114 HydrophobicContact CZ3-CD1 3.84Å; W24-A116 HydrophobicContact CH2-CB 3.58Å; W24-A116 HydrophobicContact CZ2-CB 4.12Å; W24-A116 HydrophobicContact CZ3-CB 4.2Å; W24-F119 AromaticContact CD1-CD1 3.65Å; W24-F119 AromaticContact CD1-CE1 3.46Å; W24-F119 VanDerWaalsContact CD1-CE1 3.46Å; W24-F119 AromaticContact CD1-CZ 4Å; W24-F119 AromaticContact NE1-CD1 3.23Å; W24-F119 AromaticContact NE1-CE1 3.54Å; W24-F119 AromaticContact NE1-CG 3.54Å
25V95.8Very high95.9Very high4 Ų439.1 Ų39.12%0.02421%0.209CC..Hα-helixtrans-59.9-44.3176171.10000110.7V21 L22 S27 F28 L29 V274 I275 P276V21-V25 HydrophobicContact CG1-CG2 4.17Å; V21-V25 WeakPolarHBondContact O-CB 3.48Å; V21-V25 WeakPolarHBondContact O-CG2 3.48Å; V21-V25 PolarHBondContact O-N 3.42Å; L22-V25 PolarHBondContact O-N 3.21Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 2.79Å; V25-F28 PolarHBondContact O-N 3.18Å; V25-L29 HydrophobicContact CG1-CD1 3.72Å; V25-L29 HydrophobicContact CG1-CG 4.45Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 PolarHBondContact O-N 2.85Å; V25-V274 HydrophobicContact CG1-CG2 4.15Å; V25-I275 HydrophobicContact CB-CD1 4.44Å; V25-I275 HydrophobicContact CG1-CD1 4.48Å; V25-I275 HydrophobicContact CG2-CD1 4.42Å; V25-P276 HydrophobicContact CG2-CG 4.43Å
26F95.9Very high96Very high97 Ų9736.5 Ų36.543%0.42520%0.203SC..Hα-helixtrans-61.5-41.5174.6174.2-102.7000111.8L22 W24 F28 L29 G30 L31L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.32Å; L22-F26 PolarHBondContact O-N 3.07Å; W24-F26 VanDerWaalsContact C-N 3.33Å; W24-F26 PolarHBondContact O-N 3.2Å; F26-F28 VanDerWaalsContact C-N 3.28Å; F26-F28 PolarHBondContact O-N 3.29Å; F26-L29 PolarHBondContact O-N 3.31Å; F26-G30 CarbonylContact O-C 3.47Å; F26-G30 WeakPolarHBondContact O-CA 3.41Å; F26-G30 PolarHBondContact O-N 2.94Å; F26-L31 HydrophobicContact CD1-CB 4.46Å; F26-L31 HydrophobicContact CE1-CB 4.16Å; F26-L31 HydrophobicContact CE1-CD1 4.05Å; F26-L31 PolarHBondContact O-N 3.1Å
27S94.4Very high96.1Very high7 Ų739.5 Ų39.55%0.04922%0.217CC..Hα-helixtrans-60-40.3176.7-60.40000112Q23 W24 V25 F152 Y155Q23-S27 PolarHBondContact NE2-OG 3.42Å; Q23-S27 WeakPolarHBondContact O-CB 3.27Å; Q23-S27 PolarHBondContact O-N 3.1Å; Q23-S27 PolarHBondContact O-OG 2.83Å; W24-S27 WeakPolarHBondContact O-CB 3.22Å; W24-S27 PolarHBondContact O-N 3.02Å; W24-S27 VanDerWaalsContact O-N 3.11Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 2.79Å; S27-F152 WeakPolarHBondContact O-CE2 3.23Å; S27-F152 WeakPolarHBondContact O-CZ 3.32Å; S27-Y155 PolarHBondContact OG-OH 3.46Å
28F90Very high96.1Very high60 Ų6042.9 Ų42.926%0.26323%0.234SC..Hα-helixtrans-75.1-42.3-179.3-164.4-81.8000112.9W24 V25 F26 L114 M142W24-F28 PolarHBondContact O-N 2.91Å; V25-F28 PolarHBondContact O-N 3.18Å; F26-F28 VanDerWaalsContact C-N 3.28Å; F26-F28 PolarHBondContact O-N 3.29Å; F28-L114 HydrophobicContact CD1-CD2 3.59Å; F28-L114 HydrophobicContact CE1-CD2 3.45Å; F28-L114 VanDerWaalsContact CE1-CD2 3.45Å; F28-L114 HydrophobicContact CG-CD2 4.31Å; F28-L114 HydrophobicContact CZ-CD2 4.07Å; F28-M142 HydrophobicContact CE2-CE 4.27Å
29L91.3Very high96.1Very high74 Ų7443.4 Ų43.439%0.38724%0.236SC..Hα-helixtrans-98.5-31.4-170.4-62.1176.1000114.7V25 F26 F262V25-L29 HydrophobicContact CG1-CD1 3.72Å; V25-L29 HydrophobicContact CG1-CG 4.45Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 PolarHBondContact O-N 2.85Å; F26-L29 PolarHBondContact O-N 3.31Å; L29-F262 HydrophobicContact CD1-CZ 4.2Å; L29-F262 HydrophobicContact CD2-CZ 4.48Å
30G94.4Very high96.2Very high18 Ų1846.2 Ų46.219%0.18624%0.239CC..THydrogen-bonded Turntrans-121.1-29.8-166.900000115.3F26 A32 P33 C34F26-G30 CarbonylContact O-C 3.47Å; F26-G30 WeakPolarHBondContact O-CA 3.41Å; F26-G30 PolarHBondContact O-N 2.94Å; G30-A32 PolarHBondContact O-N 2.96Å; G30-P33 VanDerWaalsContact O-CD 3.26Å; G30-P33 WeakPolarHBondContact O-CD 3.27Å; G30-C34 PolarHBondContact O-N 3.17Å; G30-C34 VanDerWaalsContact O-N 3.11Å; G30-C34 PolarHBondContact O-SG 2.89Å
31L96.6Very high96.2Very high34 Ų3450 Ų5018%0.17826%0.262CS..Hα-helixtrans-63.4-41-171.4-179.862000112.8F26 C34 C35 F152 Y155F26-L31 HydrophobicContact CD1-CB 4.46Å; F26-L31 HydrophobicContact CE1-CB 4.16Å; F26-L31 HydrophobicContact CE1-CD1 4.05Å; F26-L31 PolarHBondContact O-N 3.1Å; L31-C34 WeakPolarHBondContact O-CB 3.47Å; L31-C34 PolarHBondContact O-N 2.83Å; L31-C35 WeakPolarHBondContact O-CB 3.41Å; L31-C35 PolarHBondContact O-N 2.94Å; L31-C35 PolarHBondContact O-SG 3.44Å; L31-F152 HydrophobicContact CB-CD2 4.14Å; L31-F152 HydrophobicContact CB-CE2 4.12Å; L31-F152 HydrophobicContact CD2-CD2 3.81Å; L31-F152 HydrophobicContact CD2-CE2 3.96Å; L31-F152 HydrophobicContact CG-CD2 3.8Å; L31-F152 HydrophobicContact CG-CE2 4.17Å; L31-Y155 HydrophobicContact CD2-CD1 3.67Å; L31-Y155 HydrophobicContact CD2-CE1 3.78Å; L31-Y155 HydrophobicContact CD2-CG 4.18Å
32A95.8Very high96.2Very high1 Ų151.5 Ų51.51%0.00827%0.269CS..Hα-helixtrans-59.8-52.3178.300000113.2G30 C34 C35 I36 W146 A149 F152G30-A32 PolarHBondContact O-N 2.96Å; A32-C34 VanDerWaalsContact C-N 3.3Å; A32-C34 PolarHBondContact O-N 3.19Å; A32-C35 PolarHBondContact O-N 2.61Å; A32-I36 WeakPolarHBondContact O-CG1 3.33Å; A32-I36 PolarHBondContact O-N 3.39Å; A32-W146 HydrophobicContact CB-CE3 3.55Å; A32-W146 HydrophobicContact CB-CH2 4.39Å; A32-W146 HydrophobicContact CB-CZ3 3.29Å; A32-A149 HydrophobicContact CB-CB 4.26Å; A32-F152 HydrophobicContact CB-CB 4.2Å; A32-F152 HydrophobicContact CB-CD1 3.56Å; A32-F152 HydrophobicContact CB-CD2 4.15Å; A32-F152 HydrophobicContact CB-CE1 3.83Å; A32-F152 HydrophobicContact CB-CE2 4.41Å; A32-F152 HydrophobicContact CB-CG 3.7Å; A32-F152 HydrophobicContact CB-CZ 4.24Å
33P96.3Very high96.2Very high70 Ų7052.5 Ų52.546%0.45527%0.273SS..Hα-helixtrans-53.3-43.2169.6-27.831.4000113.8G30 C35 I36 M37G30-P33 VanDerWaalsContact O-CD 3.26Å; G30-P33 WeakPolarHBondContact O-CD 3.27Å; P33-C35 PolarHBondContact O-N 2.94Å; P33-I36 PolarHBondContact O-N 2.87Å; P33-M37 WeakPolarHBondContact O-CB 3.48Å; P33-M37 PolarHBondContact O-N 3.31Å
34C97.9Very high96.2Very high51 Ų5158 Ų5835%0.34530%0.297SS..Hα-helixtrans-62.2-42.7177.4-690000112G30 L31 A32 M37 M38G30-C34 PolarHBondContact O-N 3.17Å; G30-C34 VanDerWaalsContact O-N 3.11Å; G30-C34 PolarHBondContact O-SG 2.89Å; L31-C34 WeakPolarHBondContact O-CB 3.47Å; L31-C34 PolarHBondContact O-N 2.83Å; A32-C34 VanDerWaalsContact C-N 3.3Å; A32-C34 PolarHBondContact O-N 3.19Å; C34-M37 PolarHBondContact O-N 3.34Å; C34-M38 VanDerWaalsContact O-CB 3.23Å; C34-M38 WeakPolarHBondContact O-CB 3.37Å; C34-M38 PolarHBondContact O-N 3Å
35C97.9Very high96.2Very high12 Ų1260.2 Ų60.28%0.08131%0.311CS..Hα-helixtrans-67-40.9177.9-68.90000112.2L31 A32 P33 M38 F39 P150 F151 F152L31-C35 WeakPolarHBondContact O-CB 3.41Å; L31-C35 PolarHBondContact O-N 2.94Å; L31-C35 PolarHBondContact O-SG 3.44Å; A32-C35 PolarHBondContact O-N 2.61Å; P33-C35 PolarHBondContact O-N 2.94Å; C35-M38 PolarHBondContact O-N 3.02Å; C35-F39 WeakPolarHBondContact O-CB 3.48Å; C35-F39 PolarHBondContact O-N 3.46Å; C35-P150 WeakPolarHBondContact CB-O 3.26Å; C35-F151 HydrophobicContact CB-CB 4.09Å; C35-F151 HydrophobicContact CB-CD2 4.32Å; C35-F152 HydrophobicContact CB-CB 4.23Å
36I97.4Very high96.3Very high64 Ų6470.4 Ų70.433%0.32835%0.349SS..Hα-helixtrans-60.2-51.6173.6-69.1161.7000110A32 P33 M38 F39 F40 A149 P150A32-I36 WeakPolarHBondContact O-CG1 3.33Å; A32-I36 PolarHBondContact O-N 3.39Å; P33-I36 PolarHBondContact O-N 2.87Å; I36-M38 VanDerWaalsContact C-N 3.33Å; I36-M38 PolarHBondContact O-N 2.88Å; I36-F39 WeakPolarHBondContact O-CB 3.32Å; I36-F39 PolarHBondContact O-N 2.84Å; I36-F40 HydrophobicContact CG2-CD2 3.84Å; I36-F40 HydrophobicContact CG2-CE2 3.7Å; I36-F40 WeakPolarHBondContact O-CD2 3.39Å; I36-F40 PolarHBondContact O-N 3.09Å; I36-F40 VanDerWaalsContact O-N 3.14Å; I36-A149 HydrophobicContact CD1-CB 4.05Å; I36-A149 HydrophobicContact CG1-CB 4.1Å; I36-P150 HydrophobicContact CG1-CG 4.34Å
37M97.8Very high96.4Very high123 Ų12371 Ų7161%0.60635%0.352SS*.Hα-helixtrans-58.7-45.6178.4-177.2-177.970.500111.1P33 C34 F39 F40 V41P33-M37 WeakPolarHBondContact O-CB 3.48Å; P33-M37 PolarHBondContact O-N 3.31Å; C34-M37 PolarHBondContact O-N 3.34Å; M37-F39 PolarHBondContact O-N 2.93Å; M37-F40 PolarHBondContact O-N 3.39Å; M37-V41 HydrophobicContact CG-CG2 4.18Å; M37-V41 WeakPolarHBondContact O-CB 3.38Å; M37-V41 VanDerWaalsContact O-CG2 3.28Å; M37-V41 WeakPolarHBondContact O-CG2 3.04Å; M37-V41 PolarHBondContact O-N 3.49Å
38M97.6Very high96.6Very high88 Ų8877 Ų7743%0.43337%0.374SS..Hα-helixtrans-59.5-45.3177.4-177.6175.671.300111.7C34 C35 I36 F40 V41 L42 F151C34-M38 VanDerWaalsContact O-CB 3.23Å; C34-M38 WeakPolarHBondContact O-CB 3.37Å; C34-M38 PolarHBondContact O-N 3Å; C35-M38 PolarHBondContact O-N 3.02Å; I36-M38 VanDerWaalsContact C-N 3.33Å; I36-M38 PolarHBondContact O-N 2.88Å; M38-F40 VanDerWaalsContact C-N 3.33Å; M38-F40 PolarHBondContact O-N 2.79Å; M38-V41 PolarHBondContact O-N 2.8Å; M38-L42 HydrophobicContact CG-CD1 4.01Å; M38-L42 HydrophobicContact CG-CG 4.34Å; M38-L42 WeakPolarHBondContact O-CB 3.44Å; M38-L42 VanDerWaalsContact O-CG 3.23Å; M38-L42 WeakPolarHBondContact O-CG 3.42Å; M38-L42 PolarHBondContact O-N 2.85Å; M38-F151 HydrophobicContact CE-CD2 3.42Å; M38-F151 VanDerWaalsContact CE-CD2 3.42Å; M38-F151 HydrophobicContact CE-CE2 3.67Å; M38-F151 HydrophobicContact CE-CG 4.07Å
39F97.6Very high96.9Very high27 Ų2778.5 Ų78.512%0.11838%0.383CS..Hα-helixtrans-56.1-47.2177.4177-94.6000111.9C35 I36 M37 M43 S51 Y54 A55 P150 F151C35-F39 WeakPolarHBondContact O-CB 3.48Å; C35-F39 PolarHBondContact O-N 3.46Å; I36-F39 WeakPolarHBondContact O-CB 3.32Å; I36-F39 PolarHBondContact O-N 2.84Å; M37-F39 PolarHBondContact O-N 2.93Å; F39-M43 HydrophobicContact CE1-SD 3.98Å; F39-M43 HydrophobicContact CZ-SD 4.42Å; F39-M43 PolarHBondContact O-N 2.95Å; F39-S51 WeakPolarHBondContact CE2-O 3.29Å; F39-S51 PolarHBondContact O-OG 3.32Å; F39-Y54 AromaticContact CD2-CD1 3.98Å; F39-Y54 HydrophobicContact CD2-CD1 3.98Å; F39-Y54 AromaticContact CE2-CD1 3.85Å; F39-Y54 HydrophobicContact CE2-CD1 3.85Å; F39-A55 HydrophobicContact CE2-CB 4.33Å; F39-A55 HydrophobicContact CZ-CB 4.04Å; F39-P150 HydrophobicContact CB-CB 4.11Å; F39-P150 HydrophobicContact CB-CG 3.67Å; F39-P150 HydrophobicContact CD1-CG 4.22Å; F39-P150 HydrophobicContact CD2-CB 3.91Å; F39-P150 HydrophobicContact CD2-CG 4.27Å; F39-P150 HydrophobicContact CG-CB 3.96Å; F39-P150 HydrophobicContact CG-CG 3.79Å; F39-F151 HydrophobicContact CB-CD2 4.32Å; F39-F151 HydrophobicContact CB-CE2 3.68Å; F39-F151 HydrophobicContact CB-CZ 4.46Å; F39-F151 HydrophobicContact CD2-CE2 4.02Å; F39-F151 AromaticContact CD2-CZ 3.98Å; F39-F151 HydrophobicContact CD2-CZ 3.98Å; F39-F151 HydrophobicContact CG-CE2 4.36Å
40F97.4Very high97.2Very high110 Ų11079.1 Ų79.148%0.48239%0.387SS..Hα-helixtrans-70.3-44.2178.3-75-67.2000112.8I36 M37 M38 L42 M43 F44I36-F40 HydrophobicContact CG2-CD2 3.84Å; I36-F40 HydrophobicContact CG2-CE2 3.7Å; I36-F40 WeakPolarHBondContact O-CD2 3.39Å; I36-F40 PolarHBondContact O-N 3.09Å; I36-F40 VanDerWaalsContact O-N 3.14Å; M37-F40 PolarHBondContact O-N 3.39Å; M38-F40 VanDerWaalsContact C-N 3.33Å; M38-F40 PolarHBondContact O-N 2.79Å; F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 3.48Å; F40-M43 HydrophobicContact CD1-SD 4.39Å; F40-M43 WeakPolarHBondContact O-CB 3.47Å; F40-M43 PolarHBondContact O-N 2.77Å; F40-M43 VanDerWaalsContact O-N 3.11Å; F40-F44 WeakPolarHBondContact O-CD2 3.29Å
41V97.9Very high97.3Very high82 Ų8278.3 Ų78.350%0.49738%0.378SS..Hα-helixtrans-58.5-44.1178.1167.90000110.6M37 M38 M43 F44 T45M37-V41 HydrophobicContact CG-CG2 4.18Å; M37-V41 WeakPolarHBondContact O-CB 3.38Å; M37-V41 VanDerWaalsContact O-CG2 3.28Å; M37-V41 WeakPolarHBondContact O-CG2 3.04Å; M37-V41 PolarHBondContact O-N 3.49Å; M38-V41 PolarHBondContact O-N 2.8Å; V41-M43 PolarHBondContact O-N 3.41Å; V41-F44 PolarHBondContact O-N 2.88Å; V41-T45 HydrophobicContact CG1-CG2 4.25Å; V41-T45 VanDerWaalsContact O-CG2 3.32Å; V41-T45 WeakPolarHBondContact O-CG2 3.23Å; V41-T45 PolarHBondContact O-N 3.36Å
42L97.7Very high97.4Very high31 Ų3179.8 Ų79.816%0.16239%0.388CS..Hα-helixtrans-57.1-37.1178.1-74.5172.5000112.1M38 F40 F44 T45 F47 W48 I50 S51M38-L42 HydrophobicContact CG-CD1 4.01Å; M38-L42 HydrophobicContact CG-CG 4.34Å; M38-L42 WeakPolarHBondContact O-CB 3.44Å; M38-L42 VanDerWaalsContact O-CG 3.23Å; M38-L42 WeakPolarHBondContact O-CG 3.42Å; M38-L42 PolarHBondContact O-N 2.85Å; F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 3.48Å; L42-F44 PolarHBondContact O-N 3.5Å; L42-T45 PolarHBondContact O-N 3.06Å; L42-T45 VanDerWaalsContact O-N 3.12Å; L42-T45 PolarHBondContact O-OG1 3.5Å; L42-F47 HydrophobicContact CD2-CB 3.67Å; L42-F47 HydrophobicContact CD2-CD2 4.33Å; L42-F47 HydrophobicContact CD2-CG 4.33Å; L42-F47 CarbonylContact O-C 3.55Å; L42-W48 WeakPolarHBondContact O-CA 3.42Å; L42-W48 PolarHBondContact O-N 2.95Å; L42-W48 VanDerWaalsContact O-N 3.12Å; L42-I50 HydrophobicContact CD1-CG2 4.37Å; L42-S51 WeakPolarHBondContact CB-OG 3.32Å
43M96.4Very high97.5Very high82 Ų8284.2 Ų84.240%0.40441%0.411SS..Hα-helixtrans-59.8-28.4176.5-68.1-175.866.800113.7F39 F40 V41 W48 S51F39-M43 HydrophobicContact CE1-SD 3.98Å; F39-M43 HydrophobicContact CZ-SD 4.42Å; F39-M43 PolarHBondContact O-N 2.95Å; F40-M43 HydrophobicContact CD1-SD 4.39Å; F40-M43 WeakPolarHBondContact O-CB 3.47Å; F40-M43 PolarHBondContact O-N 2.77Å; F40-M43 VanDerWaalsContact O-N 3.11Å; V41-M43 PolarHBondContact O-N 3.41Å; M43-W48 WeakPolarHBondContact O-CB 3.48Å; M43-S51 VanDerWaalsContact CG-CB 3.45Å
44F97.1Very high97.6Very high177 Ų17782.2 Ų82.278%0.77640%0.395SS*.THydrogen-bonded Turntrans-100.114.5-179.5-60.3-76000113.2F40 V41 L42F40-F44 WeakPolarHBondContact O-CD2 3.29Å; V41-F44 PolarHBondContact O-N 2.88Å; L42-F44 PolarHBondContact O-N 3.5Å
45T97.6Very high97.6Very high53 Ų5381.7 Ų81.733%0.32539%0.394SS..SBendtrans-120.3176.6177.868.50000111.2V41 L42 F47 W48V41-T45 HydrophobicContact CG1-CG2 4.25Å; V41-T45 VanDerWaalsContact O-CG2 3.32Å; V41-T45 WeakPolarHBondContact O-CG2 3.23Å; V41-T45 PolarHBondContact O-N 3.36Å; L42-T45 PolarHBondContact O-N 3.06Å; L42-T45 VanDerWaalsContact O-N 3.12Å; L42-T45 PolarHBondContact O-OG1 3.5Å; T45-F47 PolarHBondContact O-N 2.88Å; T45-F47 PolarHBondContact OG1-N 2.98Å; T45-W48 PolarHBondContact O-N 3.29Å; T45-W48 VanDerWaalsContact O-N 3.15Å
46R97.6Very high97.6Very high218 Ų21889.8 Ų89.882%0.82342%0.423SS*.THydrogen-bonded Turntrans-57.9-13.6170.671.4-179.774.3155.62.9114
47F97.4Very high97.6Very high110 Ų11092.3 Ų92.348%0.48243%0.429SS..THydrogen-bonded Turntrans-95.413.1-179.6-55.7-68.5000113.7L42 T45 L49 I50L42-F47 HydrophobicContact CD2-CB 3.67Å; L42-F47 HydrophobicContact CD2-CD2 4.33Å; L42-F47 HydrophobicContact CD2-CG 4.33Å; L42-F47 CarbonylContact O-C 3.55Å; T45-F47 PolarHBondContact O-N 2.88Å; T45-F47 PolarHBondContact OG1-N 2.98Å; F47-L49 PolarHBondContact O-N 2.93Å; F47-I50 HydrophobicContact CB-CD1 4.12Å; F47-I50 HydrophobicContact CD1-CD1 4.44Å; F47-I50 WeakPolarHBondContact O-CB 3.45Å; F47-I50 PolarHBondContact O-N 3.37Å
48W97.9Very high97.5Very high133 Ų13387.8 Ų87.850%0.50441%0.406SS..Hα-helixtrans-52.1-31.6-177.370.8-92.3000114.1L42 M43 T45 I50 S51 V52L42-W48 WeakPolarHBondContact O-CA 3.42Å; L42-W48 PolarHBondContact O-N 2.95Å; L42-W48 VanDerWaalsContact O-N 3.12Å; M43-W48 WeakPolarHBondContact O-CB 3.48Å; T45-W48 PolarHBondContact O-N 3.29Å; T45-W48 VanDerWaalsContact O-N 3.15Å; W48-I50 PolarHBondContact O-N 3.38Å; W48-S51 PolarHBondContact O-N 3.06Å; W48-S51 VanDerWaalsContact O-N 3.1Å; W48-V52 HydrophobicContact CE3-CB 4.22Å; W48-V52 HydrophobicContact CE3-CG2 3.58Å; W48-V52 HydrophobicContact CZ3-CB 4.15Å; W48-V52 HydrophobicContact CZ3-CG1 4.44Å; W48-V52 HydrophobicContact CZ3-CG2 3.74Å; W48-V52 PolarHBondContact O-N 3.49Å
49L97.7Very high97.5Very high90 Ų9091.2 Ų91.247%0.47142%0.418SS..Hα-helixtrans-60.3-31.2179.1-170.463.2000112F47 V52 L53F47-L49 PolarHBondContact O-N 2.93Å; L49-V52 PolarHBondContact O-N 2.98Å; L49-L53 HydrophobicContact CD1-CG 4.31Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.23Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 2.85Å
50I97.1Very high97.5Very high88 Ų8894.5 Ų94.545%0.45144%0.44SS..Hα-helixtrans-62.2-47.8175.1-60179.7000110.3L42 F47 W48 V52 Y54L42-I50 HydrophobicContact CD1-CG2 4.37Å; F47-I50 HydrophobicContact CB-CD1 4.12Å; F47-I50 HydrophobicContact CD1-CD1 4.44Å; F47-I50 WeakPolarHBondContact O-CB 3.45Å; F47-I50 PolarHBondContact O-N 3.37Å; W48-I50 PolarHBondContact O-N 3.38Å; I50-V52 VanDerWaalsContact C-N 3.35Å; I50-V52 PolarHBondContact O-N 3.31Å; I50-Y54 VanDerWaalsContact O-CB 3.27Å; I50-Y54 WeakPolarHBondContact O-CB 3.28Å; I50-Y54 PolarHBondContact O-N 3.4Å
51S97.3Very high97.4Very high1 Ų189.8 Ų89.81%0.00742%0.42CS..Hα-helixtrans-65.4-37.9178.6-63.80000112F39 L42 M43 W48 Y54 A55F39-S51 WeakPolarHBondContact CE2-O 3.29Å; F39-S51 PolarHBondContact O-OG 3.32Å; L42-S51 WeakPolarHBondContact CB-OG 3.32Å; M43-S51 VanDerWaalsContact CG-CB 3.45Å; W48-S51 PolarHBondContact O-N 3.06Å; W48-S51 VanDerWaalsContact O-N 3.1Å; S51-Y54 PolarHBondContact O-N 3.45Å; S51-A55 VanDerWaalsContact O-CB 3.22Å; S51-A55 WeakPolarHBondContact O-CB 3.37Å; S51-A55 PolarHBondContact O-N 2.95Å
52V97.8Very high97.3Very high65 Ų6591.9 Ų91.939%0.39442%0.419SS..Hα-helixtrans-67.9-46.4178.1169.60000111.8W48 L49 I50 Y54 A55 W56W48-V52 HydrophobicContact CE3-CB 4.22Å; W48-V52 HydrophobicContact CE3-CG2 3.58Å; W48-V52 HydrophobicContact CZ3-CB 4.15Å; W48-V52 HydrophobicContact CZ3-CG1 4.44Å; W48-V52 HydrophobicContact CZ3-CG2 3.74Å; W48-V52 PolarHBondContact O-N 3.49Å; L49-V52 PolarHBondContact O-N 2.98Å; I50-V52 VanDerWaalsContact C-N 3.35Å; I50-V52 PolarHBondContact O-N 3.31Å; V52-Y54 VanDerWaalsContact C-N 3.32Å; V52-Y54 PolarHBondContact O-N 3.04Å; V52-A55 PolarHBondContact O-N 3.38Å; V52-W56 PolarHBondContact O-N 3.46Å
53L98.1Very high97.3Very high93 Ų9395 Ų9549%0.48743%0.433SS..Hα-helixtrans-62.5-42.1175.7-68.9175.4000111.2L49 W56 W57L49-L53 HydrophobicContact CD1-CG 4.31Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.23Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 2.85Å; L53-W56 HydrophobicContact CD2-CE3 4.44Å; L53-W56 PolarHBondContact O-N 3.33Å; L53-W57 PolarHBondContact O-N 3.43Å
54Y97.9Very high97.3Very high29 Ų2992.7 Ų92.711%0.11442%0.424CS..Hα-helixtrans-65.2-40.2175.1-176.2-94.7000111.9F39 I50 S51 V52 W56 W57 F58 P150 F151 D154F39-Y54 AromaticContact CD2-CD1 3.98Å; F39-Y54 HydrophobicContact CD2-CD1 3.98Å; F39-Y54 AromaticContact CE2-CD1 3.85Å; F39-Y54 HydrophobicContact CE2-CD1 3.85Å; I50-Y54 VanDerWaalsContact O-CB 3.27Å; I50-Y54 WeakPolarHBondContact O-CB 3.28Å; I50-Y54 PolarHBondContact O-N 3.4Å; S51-Y54 PolarHBondContact O-N 3.45Å; V52-Y54 VanDerWaalsContact C-N 3.32Å; V52-Y54 PolarHBondContact O-N 3.04Å; Y54-W56 VanDerWaalsContact C-N 3.34Å; Y54-W56 PolarHBondContact O-N 3.26Å; Y54-W57 CarbonylContact O-C 3.58Å; Y54-W57 PolarHBondContact O-N 3.14Å; Y54-F58 HydrophobicContact CD1-CB 4.43Å; Y54-F58 HydrophobicContact CD1-CD2 4.48Å; Y54-F58 HydrophobicContact CE1-CB 4.17Å; Y54-F58 AromaticContact CE1-CD2 3.52Å; Y54-F58 HydrophobicContact CE1-CD2 3.52Å; Y54-F58 HydrophobicContact CE1-CE2 4.34Å; Y54-F58 HydrophobicContact CE1-CG 4.28Å; Y54-F58 AromaticContact CZ-CD2 3.86Å; Y54-F58 WeakPolarHBondContact O-CB 3.25Å; Y54-F58 PolarHBondContact O-N 2.98Å; Y54-P150 HydrophobicContact CD1-CB 4.18Å; Y54-P150 HydrophobicContact CE1-CB 3.48Å; Y54-P150 VanDerWaalsContact CE1-CB 3.48Å; Y54-F151 HydrophobicContact CD1-CD1 4.16Å; Y54-F151 AromaticContact CD1-CE1 3.71Å; Y54-F151 HydrophobicContact CD1-CE1 3.71Å; Y54-F151 HydrophobicContact CD1-CZ 4.14Å; Y54-F151 AromaticContact CD2-CD1 3.75Å; Y54-F151 HydrophobicContact CD2-CD1 3.75Å; Y54-F151 AromaticContact CD2-CE1 3.47Å; Y54-F151 HydrophobicContact CD2-CE1 3.47Å; Y54-F151 VanDerWaalsContact CD2-CE1 3.47Å; Y54-F151 HydrophobicContact CE1-CD1 4.02Å; Y54-F151 HydrophobicContact CE1-CE1 4.05Å; Y54-F151 AromaticContact CE2-CD1 3.6Å; Y54-F151 HydrophobicContact CE2-CD1 3.6Å; Y54-F151 AromaticContact CE2-CE1 3.84Å; Y54-F151 HydrophobicContact CE2-CE1 3.84Å; Y54-F151 HydrophobicContact CG-CD1 4.04Å; Y54-F151 AromaticContact CG-CE1 3.4Å; Y54-F151 HydrophobicContact CG-CE1 3.4Å; Y54-F151 VanDerWaalsContact CG-CE1 3.4Å; Y54-F151 HydrophobicContact CG-CZ 4.1Å; Y54-F151 AromaticContact CZ-CD1 3.75Å; Y54-F151 VanDerWaalsContact CZ-N 3.32Å; Y54-F151 PolarHBondContact OH-N 3.09Å; Y54-D154 WeakPolarHBondContact CE2-OD2 3.22Å; Y54-D154 PolarHBondContact OH-OD2 3.35Å
55A97.8Very high97.2Very high40 Ų4084.5 Ų84.533%0.33139%0.388SS..Hα-helixtrans-63.4-40.6177.600000112F39 S51 V52 F58 F59F39-A55 HydrophobicContact CE2-CB 4.33Å; F39-A55 HydrophobicContact CZ-CB 4.04Å; S51-A55 VanDerWaalsContact O-CB 3.22Å; S51-A55 WeakPolarHBondContact O-CB 3.37Å; S51-A55 PolarHBondContact O-N 2.95Å; V52-A55 PolarHBondContact O-N 3.38Å; A55-F58 WeakPolarHBondContact O-CB 3.35Å; A55-F58 PolarHBondContact O-N 2.86Å; A55-F59 PolarHBondContact O-N 2.99Å
56W98.1Very high97.2Very high181 Ų18183.4 Ų83.469%0.68638%0.382SS*.Hα-helixtrans-62.2-49.2173.7173.937.5000111.3V52 L53 Y54 F58 F59 V60V52-W56 PolarHBondContact O-N 3.46Å; L53-W56 HydrophobicContact CD2-CE3 4.44Å; L53-W56 PolarHBondContact O-N 3.33Å; Y54-W56 VanDerWaalsContact C-N 3.34Å; Y54-W56 PolarHBondContact O-N 3.26Å; W56-F58 VanDerWaalsContact C-N 3.3Å; W56-F58 PolarHBondContact O-N 2.79Å; W56-F59 PolarHBondContact O-N 3.39Å; W56-V60 WeakPolarHBondContact O-CG2 3.23Å; W56-V60 PolarHBondContact O-N 3.06Å; W56-V60 VanDerWaalsContact O-N 3.08Å
57W97.2Very high97.1Very high118 Ų11878 Ų7845%0.44737%0.365SS..Hα-helixtrans-55.5-47.4172169.6-106.3000111.2L53 Y54 F59 V60 D61L53-W57 PolarHBondContact O-N 3.43Å; Y54-W57 CarbonylContact O-C 3.58Å; Y54-W57 PolarHBondContact O-N 3.14Å; W57-F59 PolarHBondContact O-N 3.22Å; W57-V60 PolarHBondContact O-N 3.32Å; W57-V60 VanDerWaalsContact O-N 3.13Å; W57-D61 HydrophobicContact CD2-CB 3.99Å; W57-D61 HydrophobicContact CE3-CB 4.32Å; W57-D61 HydrophobicContact CH2-CB 4.09Å; W57-D61 HydrophobicContact CZ2-CB 3.73Å; W57-D61 HydrophobicContact CZ3-CB 4.38Å; W57-D61 PolarHBondContact NE1-OD2 3.31Å; W57-D61 WeakPolarHBondContact O-CB 3.35Å; W57-D61 PolarHBondContact O-N 3.14Å
58F96.6Very high96.9Very high28 Ų2873.4 Ų73.412%0.12335%0.348CS..Hα-helixtrans-55.5-41.2-177.4-170.1-84000112.1Y54 A55 W56 W62 R148 P150 R153Y54-F58 HydrophobicContact CD1-CB 4.43Å; Y54-F58 HydrophobicContact CD1-CD2 4.48Å; Y54-F58 HydrophobicContact CE1-CB 4.17Å; Y54-F58 AromaticContact CE1-CD2 3.52Å; Y54-F58 HydrophobicContact CE1-CD2 3.52Å; Y54-F58 HydrophobicContact CE1-CE2 4.34Å; Y54-F58 HydrophobicContact CE1-CG 4.28Å; Y54-F58 AromaticContact CZ-CD2 3.86Å; Y54-F58 WeakPolarHBondContact O-CB 3.25Å; Y54-F58 PolarHBondContact O-N 2.98Å; A55-F58 WeakPolarHBondContact O-CB 3.35Å; A55-F58 PolarHBondContact O-N 2.86Å; W56-F58 VanDerWaalsContact C-N 3.3Å; W56-F58 PolarHBondContact O-N 2.79Å; F58-W62 AromaticContact CD1-CE3 3.83Å; F58-W62 HydrophobicContact CD1-CE3 3.83Å; F58-W62 AromaticContact CD1-CZ3 3.88Å; F58-W62 HydrophobicContact CD1-CZ3 3.88Å; F58-W62 AromaticContact CE1-CE3 3.6Å; F58-W62 HydrophobicContact CE1-CE3 3.6Å; F58-W62 HydrophobicContact CE1-CH2 4.26Å; F58-W62 AromaticContact CE1-CZ3 3.33Å; F58-W62 HydrophobicContact CE1-CZ3 3.33Å; F58-W62 HydrophobicContact CZ-CZ3 4.42Å; F58-W62 WeakPolarHBondContact O-CA 3.42Å; F58-W62 PolarHBondContact O-N 3.39Å; F58-R148 WeakPolarHBondContact CZ-O 3.31Å; F58-P150 HydrophobicContact CE2-CB 4.42Å; F58-R153 VanDerWaalsContact CD1-NH1 3.27Å; F58-R153 VanDerWaalsContact CE1-NH1 3.34Å; F58-R153 HydrophobicContact CE2-CG 4.1Å; F58-R153 VanDerWaalsContact CZ-NH1 3.27Å; F58-R153 PolarHBondContact O-NH1 2.99Å; F58-R153 PolarHBondContact O-NH2 3.37Å
59F97.2Very high96.7Very high160 Ų16067.8 Ų67.870%0.70233%0.332SS*.Hα-helixtrans-71.1-45.3177.4-178.2-96.6000112.6A55 W56 W57 D61 W62A55-F59 PolarHBondContact O-N 2.99Å; W56-F59 PolarHBondContact O-N 3.39Å; W57-F59 PolarHBondContact O-N 3.22Å; F59-D61 VanDerWaalsContact C-N 3.28Å; F59-D61 PolarHBondContact O-N 3.26Å; F59-W62 WeakPolarHBondContact O-CB 3.41Å; F59-W62 PolarHBondContact O-N 2.74Å
60V97.3Very high96.5Very high96 Ų9667.3 Ų67.358%0.58232%0.324SS*.Hα-helixtrans-63.8-37.9177.3172.80000111.2W56 W57 W62W56-V60 WeakPolarHBondContact O-CG2 3.23Å; W56-V60 PolarHBondContact O-N 3.06Å; W56-V60 VanDerWaalsContact O-N 3.08Å; W57-V60 PolarHBondContact O-N 3.32Å; W57-V60 VanDerWaalsContact O-N 3.13Å; V60-W62 VanDerWaalsContact C-N 3.33Å
61D96.8Very high96.4Very high10 Ų1064.9 Ų64.95%0.05331%0.309CS..THydrogen-bonded Turntrans-96.919.6-174.3178.463.1000112.5W57 F59 E63 T64 R70 R153W57-D61 HydrophobicContact CD2-CB 3.99Å; W57-D61 HydrophobicContact CE3-CB 4.32Å; W57-D61 HydrophobicContact CH2-CB 4.09Å; W57-D61 HydrophobicContact CZ2-CB 3.73Å; W57-D61 HydrophobicContact CZ3-CB 4.38Å; W57-D61 PolarHBondContact NE1-OD2 3.31Å; W57-D61 WeakPolarHBondContact O-CB 3.35Å; W57-D61 PolarHBondContact O-N 3.14Å; F59-D61 VanDerWaalsContact C-N 3.28Å; F59-D61 PolarHBondContact O-N 3.26Å; D61-E63 VanDerWaalsContact C-N 3.33Å; D61-E63 PolarHBondContact O-N 3.35Å; D61-T64 PolarHBondContact O-N 2.84Å; D61-T64 PolarHBondContact O-OG1 2.91Å; D61-T64 WeakPolarHBondContact OD1-CB 3.24Å; D61-T64 PolarHBondContact OD1-OG1 3.5Å; D61-R70 IonicContact OD1-CZ 3.64Å; D61-R70 IonicContact OD1-NE 3.75Å; D61-R70 IonicContact OD1-NH2 3.51Å; D61-R70 PolarHBondContact OD1-NH2 3.33Å; D61-R70 IonicContact OD2-CZ 2.84Å; D61-R70 IonicContact OD2-NH1 3.78Å; D61-R70 IonicContact OD2-NH2 2.89Å; D61-R70 PolarHBondContact OD2-NH2 2.8Å; D61-R153 PolarHBondContact O-NH2 3.07Å; D61-R153 IonicContact OD2-CZ 3.47Å; D61-R153 IonicContact OD2-NH2 3.65Å; D61-R153 PolarHBondContact OD2-NH2 3.49Å
62W95.7Very high96.4Very high127 Ų12769.8 Ų69.848%0.48133%0.33SS..THydrogen-bonded Turntrans-57.7-40.9-173.3-175.4-91.4000113.8F58 F59 V60 P65F58-W62 AromaticContact CD1-CE3 3.83Å; F58-W62 HydrophobicContact CD1-CE3 3.83Å; F58-W62 AromaticContact CD1-CZ3 3.88Å; F58-W62 HydrophobicContact CD1-CZ3 3.88Å; F58-W62 AromaticContact CE1-CE3 3.6Å; F58-W62 HydrophobicContact CE1-CE3 3.6Å; F58-W62 HydrophobicContact CE1-CH2 4.26Å; F58-W62 AromaticContact CE1-CZ3 3.33Å; F58-W62 HydrophobicContact CE1-CZ3 3.33Å; F58-W62 HydrophobicContact CZ-CZ3 4.42Å; F58-W62 WeakPolarHBondContact O-CA 3.42Å; F58-W62 PolarHBondContact O-N 3.39Å; F59-W62 WeakPolarHBondContact O-CB 3.41Å; F59-W62 PolarHBondContact O-N 2.74Å; V60-W62 VanDerWaalsContact C-N 3.33Å; W62-P65 WeakPolarHBondContact O-CD 3.48Å
63E96.1Very high96.2Very high97 Ų9770.2 Ų70.245%0.45333%0.328SS..THydrogen-bonded Turntrans-85.5-8.4-173.7-69.4-63.8137.300114.1D61 S66 K67D61-E63 VanDerWaalsContact C-N 3.33Å; D61-E63 PolarHBondContact O-N 3.35Å; E63-S66 PolarHBondContact O-N 3.4Å; E63-S66 VanDerWaalsContact O-N 3.15Å; E63-K67 HydrophobicContact CB-CD 4.13Å; E63-K67 WeakPolarHBondContact O-CG 3.27Å; E63-K67 PolarHBondContact O-N 2.72Å
64T96.6Very high96.1Very high33 Ų3372 Ų7220%0.20233%0.332CS..THydrogen-bonded Turntrans-61-40.5-173.2-60.50000114.2D61 S66 K67 G69 R70 M157D61-T64 PolarHBondContact O-N 2.84Å; D61-T64 PolarHBondContact O-OG1 2.91Å; D61-T64 WeakPolarHBondContact OD1-CB 3.24Å; D61-T64 PolarHBondContact OD1-OG1 3.5Å; T64-S66 PolarHBondContact O-N 2.82Å; T64-K67 CarbonylContact O-C 3.57Å; T64-K67 PolarHBondContact O-N 2.89Å; T64-G69 WeakPolarHBondContact O-CA 3.47Å; T64-G69 PolarHBondContact O-N 2.66Å; T64-R70 HydrophobicContact CG2-CG 3.99Å; T64-M157 HydrophobicContact CG2-SD 4.29Å
65P96.1Very high95.9Very high5 Ų572.9 Ų72.93%0.03234%0.338CS..G310 helixtrans-50.7-44.8172.6-28.335.5000113.3W62 K67 F147 M157 P163W62-P65 WeakPolarHBondContact O-CD 3.48Å; P65-K67 PolarHBondContact O-N 2.83Å; P65-F147 HydrophobicContact CB-CB 4.06Å; P65-F147 HydrophobicContact CB-CD1 3.55Å; P65-F147 HydrophobicContact CB-CE1 4.24Å; P65-F147 HydrophobicContact CB-CG 3.97Å; P65-F147 HydrophobicContact CG-CB 4.13Å; P65-F147 HydrophobicContact CG-CD1 3.98Å; P65-F147 HydrophobicContact CG-CG 4.43Å; P65-M157 HydrophobicContact CB-SD 4.03Å; P65-M157 HydrophobicContact CG-CE 4.22Å; P65-M157 HydrophobicContact CG-SD 3.64Å; P65-P163 VanDerWaalsContact C-CD 3.48Å; P65-P163 HydrophobicContact CB-CG 3.66Å; P65-P163 WeakPolarHBondContact O-CD 3.36Å
66S96.1Very high95.8Very high29 Ų2971.1 Ų71.120%0.20332%0.323CS..G310 helixtrans-79.8-3.3-178.7-59.70000114E63 T64 S168 Y171E63-S66 PolarHBondContact O-N 3.4Å; E63-S66 VanDerWaalsContact O-N 3.15Å; T64-S66 PolarHBondContact O-N 2.82Å; S66-S168 WeakPolarHBondContact CA-OG 3.43Å; S66-S168 WeakPolarHBondContact CB-OG 3.42Å; S66-S168 WeakPolarHBondContact O-CA 3.45Å; S66-S168 PolarHBondContact OG-OG 3.26Å; S66-Y171 WeakPolarHBondContact O-CB 3.1Å
67K96.1Very high95.6Very high106 Ų10668.2 Ų68.246%0.46132%0.317SS..G310 helixtrans-112.735.6178-66.3176.2-177.8170.90111.9E63 T64 P65 Y171E63-K67 HydrophobicContact CB-CD 4.13Å; E63-K67 WeakPolarHBondContact O-CG 3.27Å; E63-K67 PolarHBondContact O-N 2.72Å; T64-K67 CarbonylContact O-C 3.57Å; T64-K67 PolarHBondContact O-N 2.89Å; P65-K67 PolarHBondContact O-N 2.83Å; K67-Y171 VanDerWaalsContact CA-CD1 3.42Å; K67-Y171 HydrophobicContact CB-CD1 4.18Å; K67-Y171 HydrophobicContact CB-CD2 4.34Å; K67-Y171 HydrophobicContact CB-CE1 3.85Å; K67-Y171 HydrophobicContact CB-CE2 4.02Å; K67-Y171 HydrophobicContact CB-CG 4.41Å; K67-Y171 HydrophobicContact CD-CE2 4.45Å; K67-Y171 HydrophobicContact CG-CD2 4.01Å; K67-Y171 HydrophobicContact CG-CE2 3.85Å; K67-Y171 HydrophobicContact CG-CG 4.42Å; K67-Y171 WeakPolarHBondContact O-CE1 3.16Å
68G93.4Very high95.6Very high12 Ų1265.5 Ų65.512%0.12431%0.311CS..THydrogen-bonded Turntrans88.41.1177.800000114.8F139G68-F139 WeakPolarHBondContact O-CE1 3.47Å
69G94.5Very high95.6Very high16 Ų1672.8 Ų72.817%0.16534%0.338CS..  trans64.4-155.6178.300000113.6T64T64-G69 WeakPolarHBondContact O-CA 3.47Å; T64-G69 PolarHBondContact O-N 2.66Å
70R93.1Very high95.6Very high80 Ų8067 Ų6730%0.30232%0.315SS..  trans-137.770.5-178.8-81.9-177.3-102.692.726110.5D61 T64 F72 D154 M157 M158D61-R70 IonicContact OD1-CZ 3.64Å; D61-R70 IonicContact OD1-NE 3.75Å; D61-R70 IonicContact OD1-NH2 3.51Å; D61-R70 PolarHBondContact OD1-NH2 3.33Å; D61-R70 IonicContact OD2-CZ 2.84Å; D61-R70 IonicContact OD2-NH1 3.78Å; D61-R70 IonicContact OD2-NH2 2.89Å; D61-R70 PolarHBondContact OD2-NH2 2.8Å; T64-R70 HydrophobicContact CG2-CG 3.99Å; R70-F72 PolarHBondContact O-N 2.85Å; R70-D154 IonicContact CZ-OD1 2.71Å; R70-D154 IonicContact NH1-OD1 3.66Å; R70-D154 PolarHBondContact NH1-OD1 2.87Å; R70-D154 IonicContact NH2-OD1 2.66Å; R70-M157 CarbonylContact C-O 3.28Å; R70-M157 VanDerWaalsContact NH2-CE 3.32Å; R70-M158 WeakPolarHBondContact O-CA 3.2Å
71R95.4Very high95.6Very high36 Ų3663.2 Ų63.214%0.13629%0.291CS..  trans-58131.3176.8177170.8-82.5-160.3-12110.2F122 S138 M157 A159R71-F122 PolarHBondContact NH2-O 3.36Å; R71-S138 PolarHBondContact NH1-O 3.37Å; R71-S138 PolarHBondContact NH1-OG 3.45Å; R71-S138 PolarHBondContact NH2-O 3.24Å; R71-S138 PolarHBondContact NH2-OG 2.96Å; R71-M157 WeakPolarHBondContact CA-O 3.32Å; R71-M157 PolarHBondContact N-O 3.26Å; R71-A159 PolarHBondContact NH2-O 3.28Å; R71-A159 VanDerWaalsContact NH2-O 3.08Å
72F96.1Very high95.7Very high104 Ų10464.2 Ų64.246%0.45630%0.296SS..  trans-116.299.6177.9-173.4-140.9000110.2R70 F74 L75 C76 M158R70-F72 PolarHBondContact O-N 2.85Å; F72-F74 HydrophobicContact CD1-CB 4.43Å; F72-F74 HydrophobicContact CE1-CB 3.91Å; F72-F74 HydrophobicContact CE1-CD1 4.1Å; F72-F74 HydrophobicContact CE1-CG 4.43Å; F72-F74 HydrophobicContact CE2-CB 4.06Å; F72-F74 HydrophobicContact CZ-CB 3.7Å; F72-F74 HydrophobicContact CZ-CD1 4.4Å; F72-F74 HydrophobicContact CZ-CG 4.36Å; F72-F74 PolarHBondContact O-N 2.87Å; F72-L75 HydrophobicContact CD1-CB 4.28Å; F72-L75 HydrophobicContact CD1-CD1 3.71Å; F72-L75 HydrophobicContact CD1-CG 3.55Å; F72-L75 HydrophobicContact CE1-CD1 4.5Å; F72-L75 HydrophobicContact CE1-CG 4.09Å; F72-L75 PolarHBondContact O-N 2.79Å; F72-C76 PolarHBondContact O-N 2.9Å; F72-M158 HydrophobicContact CB-CB 4.03Å; F72-M158 HydrophobicContact CB-CG 3.92Å; F72-M158 PolarHBondContact N-O 2.93Å
73H94.3Very high95.8Very high74 Ų7461.9 Ų61.934%0.34329%0.288SS..Hα-helixtrans-56-30-171.1-64.7-73.2000114.5C76 H77 Y125 R130H73-C76 PolarHBondContact O-N 2.83Å; H73-H77 PolarHBondContact O-N 3.17Å; H73-H77 PolarHBondContact O-ND1 3.23Å; H73-Y125 HydrophobicContact CB-CE2 4.24Å; H73-Y125 PolarHBondContact CE1-OH 3.28Å; H73-Y125 AromaticContact ND1-CE2 3.93Å; H73-Y125 AromaticContact ND1-CZ 3.64Å; H73-Y125 PolarHBondContact ND1-OH 2.87Å; H73-R130 VanDerWaalsContact CE1-CZ 3.48Å; H73-R130 PolarHBondContact CE1-NH2 2.91Å
74F95.4Very high95.9Very high131 Ų13157.2 Ų57.258%0.57527%0.266SS*.Hα-helixtrans-63.1-45176.3177.6-97.9000111.4F72 C76 H77 L78F72-F74 HydrophobicContact CD1-CB 4.43Å; F72-F74 HydrophobicContact CE1-CB 3.91Å; F72-F74 HydrophobicContact CE1-CD1 4.1Å; F72-F74 HydrophobicContact CE1-CG 4.43Å; F72-F74 HydrophobicContact CE2-CB 4.06Å; F72-F74 HydrophobicContact CZ-CB 3.7Å; F72-F74 HydrophobicContact CZ-CD1 4.4Å; F72-F74 HydrophobicContact CZ-CG 4.36Å; F72-F74 PolarHBondContact O-N 2.87Å; F74-C76 VanDerWaalsContact C-N 3.33Å; F74-C76 PolarHBondContact O-N 3Å; F74-H77 PolarHBondContact O-N 3.05Å; F74-H77 VanDerWaalsContact O-N 3.09Å; F74-L78 HydrophobicContact CD1-CD2 4.39Å; F74-L78 HydrophobicContact CE1-CD2 3.8Å; F74-L78 HydrophobicContact CZ-CD2 4.1Å; F74-L78 PolarHBondContact O-N 3.09Å
75L93.6Very high96Very high48 Ų4858.4 Ų58.425%0.25127%0.267SS..Hα-helixtrans-64.8-38.5178.6-71.6178.5000111.7F72 H77 L78 W81 M158F72-L75 HydrophobicContact CD1-CB 4.28Å; F72-L75 HydrophobicContact CD1-CD1 3.71Å; F72-L75 HydrophobicContact CD1-CG 3.55Å; F72-L75 HydrophobicContact CE1-CD1 4.5Å; F72-L75 HydrophobicContact CE1-CG 4.09Å; F72-L75 PolarHBondContact O-N 2.79Å; L75-H77 PolarHBondContact O-N 2.89Å; L75-L78 HydrophobicContact CD2-CD1 3.6Å; L75-L78 HydrophobicContact CD2-CG 4.29Å; L75-L78 WeakPolarHBondContact O-CG 3.4Å; L75-L78 PolarHBondContact O-N 3.26Å; L75-W81 PolarHBondContact O-NE1 2.86Å; L75-M158 HydrophobicContact CD1-CB 3.82Å; L75-M158 HydrophobicContact CD1-CG 4.12Å; L75-M158 HydrophobicContact CD1-SD 3.44Å; L75-M158 WeakPolarHBondContact CD1-SD 3.06Å
76C95.4Very high96.1Very high2 Ų261.3 Ų61.31%0.01428%0.282CS..Hα-helixtrans-64.5-19.6175.1-59.80000113.8F72 H73 F74 C123 Y125F72-C76 PolarHBondContact O-N 2.9Å; H73-C76 PolarHBondContact O-N 2.83Å; F74-C76 VanDerWaalsContact C-N 3.33Å; F74-C76 PolarHBondContact O-N 3Å; C76-C123 PolarHBondContact SG-O 3.43Å; C76-Y125 HydrophobicContact CB-CD2 3.47Å; C76-Y125 VanDerWaalsContact CB-CD2 3.47Å; C76-Y125 HydrophobicContact CB-CE1 4.42Å; C76-Y125 HydrophobicContact CB-CE2 3.24Å; C76-Y125 HydrophobicContact CB-CG 4.23Å; C76-Y125 PolarHBondContact O-N 2.84Å
77H95.1Very high96.2Very high120 Ų12060 Ų6056%0.55627%0.272SS*.THydrogen-bonded Turntrans-95.6-1.2178-81.9104.3000114.2H73 F74 L75 R79 Y125H73-H77 PolarHBondContact O-N 3.17Å; H73-H77 PolarHBondContact O-ND1 3.23Å; F74-H77 PolarHBondContact O-N 3.05Å; F74-H77 VanDerWaalsContact O-N 3.09Å; L75-H77 PolarHBondContact O-N 2.89Å; H77-R79 PolarHBondContact O-N 2.87Å; H77-Y125 HydrophobicContact CB-CD2 4.44Å; H77-Y125 AromaticContact CD2-CD2 3.67Å; H77-Y125 AromaticContact CE1-CD2 3.04Å; H77-Y125 WeakPolarHBondContact CE1-CD2 3.28Å; H77-Y125 AromaticContact CE1-CE2 3.37Å; H77-Y125 WeakPolarHBondContact CE1-CE2 3.42Å; H77-Y125 AromaticContact CE1-CG 3.95Å; H77-Y125 AromaticContact CG-CD2 3.52Å; H77-Y125 AromaticContact ND1-CD2 3.14Å; H77-Y125 WeakPolarHBondContact ND1-CD2 3.41Å; H77-Y125 AromaticContact ND1-CE2 3.44Å; H77-Y125 WeakPolarHBondContact ND1-CE2 3.49Å; H77-Y125 AromaticContact NE2-CD2 3.38Å; H77-Y125 WeakPolarHBondContact NE2-CD2 3.23Å; H77-Y125 AromaticContact NE2-CG 3.9Å
78L96.8Very high96.3Very high61 Ų6155 Ų5532%0.31925%0.251SS..  trans-59140.4-177-70.2178.8000111.9F74 L75 V80 W81F74-L78 HydrophobicContact CD1-CD2 4.39Å; F74-L78 HydrophobicContact CE1-CD2 3.8Å; F74-L78 HydrophobicContact CZ-CD2 4.1Å; F74-L78 PolarHBondContact O-N 3.09Å; L75-L78 HydrophobicContact CD2-CD1 3.6Å; L75-L78 HydrophobicContact CD2-CG 4.29Å; L75-L78 WeakPolarHBondContact O-CG 3.4Å; L75-L78 PolarHBondContact O-N 3.26Å; L78-V80 HydrophobicContact CB-CG1 3.81Å; L78-V80 HydrophobicContact CD1-CG1 4.42Å; L78-V80 PolarHBondContact O-N 2.97Å; L78-W81 VanDerWaalsContact O-CD1 3.31Å; L78-W81 PolarHBondContact O-N 2.95Å
79R96.8Very high96.5Very high181 Ų18157.6 Ų57.668%0.68327%0.266SS*.Hα-helixtrans-57.7-21.1177.1-70.2-59.8-165.2169.73.5114H77 W81 D82 Y83H77-R79 PolarHBondContact O-N 2.87Å; R79-W81 PolarHBondContact O-N 2.87Å; R79-D82 WeakPolarHBondContact CD-OD2 3.48Å; R79-D82 IonicContact CZ-OD2 2.8Å; R79-D82 IonicContact NE-OD2 2.65Å; R79-D82 IonicContact NH1-OD2 3.5Å; R79-D82 PolarHBondContact NH1-OD2 2.71Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 2.85Å; R79-D82 VanDerWaalsContact O-N 3.14Å; R79-Y83 HydrophobicContact CB-CE2 4.41Å; R79-Y83 WeakPolarHBondContact O-CD2 3.3Å; R79-Y83 PolarHBondContact O-N 3.35Å
80V97.3Very high96.6Very high38 Ų3857.2 Ų57.223%0.2326%0.26CS..Hα-helixtrans-56.7-34173.872.20000111.8S20 L78 Y83 M84S20-V80 VanDerWaalsContact CB-CG2 3.48Å; S20-V80 VanDerWaalsContact CB-O 3.25Å; S20-V80 WeakPolarHBondContact CB-O 3.15Å; L78-V80 HydrophobicContact CB-CG1 3.81Å; L78-V80 HydrophobicContact CD1-CG1 4.42Å; L78-V80 PolarHBondContact O-N 2.97Å; V80-Y83 PolarHBondContact O-N 2.56Å; V80-M84 PolarHBondContact O-N 3.03Å
81W97.9Very high96.9Very high18 Ų1859.5 Ų59.57%0.06827%0.272CS..Hα-helixtrans-76-30178.7-49128.9000112.9L75 L78 R79 M84 R85 F119 T124 A126L75-W81 PolarHBondContact O-NE1 2.86Å; L78-W81 VanDerWaalsContact O-CD1 3.31Å; L78-W81 PolarHBondContact O-N 2.95Å; R79-W81 PolarHBondContact O-N 2.87Å; W81-M84 HydrophobicContact CE3-SD 4.06Å; W81-M84 HydrophobicContact CZ3-SD 4.21Å; W81-M84 PolarHBondContact O-N 2.83Å; W81-R85 WeakPolarHBondContact O-CB 3.11Å; W81-R85 PolarHBondContact O-N 3.08Å; W81-F119 HydrophobicContact CE3-CE1 4.01Å; W81-F119 HydrophobicContact CH2-CE1 4.06Å; W81-F119 AromaticContact CH2-CZ 3.99Å; W81-F119 HydrophobicContact CH2-CZ 3.99Å; W81-F119 HydrophobicContact CZ2-CZ 4.43Å; W81-F119 AromaticContact CZ3-CE1 3.7Å; W81-F119 HydrophobicContact CZ3-CE1 3.7Å; W81-F119 HydrophobicContact CZ3-CZ 4.12Å; W81-T124 HydrophobicContact CB-CG2 4.03Å; W81-T124 HydrophobicContact CD2-CG2 3.68Å; W81-T124 HydrophobicContact CE3-CG2 4.13Å; W81-T124 HydrophobicContact CG-CG2 3.62Å; W81-A126 HydrophobicContact CB-CB 3.88Å; W81-A126 WeakPolarHBondContact O-CB 3.34Å
82D98.1Very high97.1Very high30 Ų3058.7 Ų58.716%0.1627%0.27CS..Hα-helixtrans-62-46.1170.1-72.6-35.3000110.3R79 M84 R85 D86R79-D82 WeakPolarHBondContact CD-OD2 3.48Å; R79-D82 IonicContact CZ-OD2 2.8Å; R79-D82 IonicContact NE-OD2 2.65Å; R79-D82 IonicContact NH1-OD2 3.5Å; R79-D82 PolarHBondContact NH1-OD2 2.71Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 2.85Å; R79-D82 VanDerWaalsContact O-N 3.14Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 2.75Å; D82-R85 WeakPolarHBondContact O-CB 3.24Å; D82-R85 PolarHBondContact O-N 3.07Å; D82-R85 IonicContact OD1-CZ 3.32Å; D82-R85 IonicContact OD1-NH1 3.58Å; D82-R85 PolarHBondContact OD1-NH1 3.36Å; D82-R85 IonicContact OD1-NH2 2.79Å; D82-D86 WeakPolarHBondContact O-CB 3.46Å; D82-D86 PolarHBondContact O-N 3.45Å
83Y98.4Very high97.2Very high78 Ų7855.3 Ų55.331%0.30626%0.258SS..Hα-helixtrans-63.5-37.6175.7-66.4-56.6000112.2T13 L16 Q17 R79 V80 D86 Y87T13-Y83 HydrophobicContact CG2-CE1 4.47Å; L16-Y83 HydrophobicContact CB-CD1 3.92Å; L16-Y83 HydrophobicContact CB-CD2 4.13Å; L16-Y83 HydrophobicContact CB-CE1 3.94Å; L16-Y83 HydrophobicContact CB-CE2 4.16Å; L16-Y83 HydrophobicContact CB-CG 4.03Å; L16-Y83 HydrophobicContact CD1-CE1 3.94Å; L16-Y83 HydrophobicContact CD1-CE2 4.09Å; L16-Y83 WeakPolarHBondContact CD1-OH 3.03Å; Q17-Y83 HydrophobicContact CG-CD1 4.42Å; Q17-Y83 WeakPolarHBondContact CG-O 3.37Å; R79-Y83 HydrophobicContact CB-CE2 4.41Å; R79-Y83 WeakPolarHBondContact O-CD2 3.3Å; R79-Y83 PolarHBondContact O-N 3.35Å; V80-Y83 PolarHBondContact O-N 2.56Å; Y83-D86 PolarHBondContact O-N 3.09Å; Y83-Y87 PolarHBondContact O-N 3.46Å
84M98Very high97.3Very high0 Ų054.7 Ų54.70%025%0.254CS..Hα-helixtrans-66.3-44.8175.1-166.2-174.2173.800111.7S20 V21 W24 V80 W81 D82 D86 Y87 F88 F119 I120S20-M84 PolarHBondContact OG-N 3.04Å; V21-M84 HydrophobicContact CG2-CG 4.1Å; W24-M84 HydrophobicContact CB-CE 3.92Å; W24-M84 HydrophobicContact CB-SD 3.99Å; W24-M84 HydrophobicContact CD2-CE 3.16Å; W24-M84 HydrophobicContact CD2-SD 4.31Å; W24-M84 HydrophobicContact CE3-CE 3.5Å; W24-M84 HydrophobicContact CG-CE 3.34Å; W24-M84 HydrophobicContact CG-SD 3.85Å; W24-M84 HydrophobicContact CH2-CE 4.32Å; W24-M84 HydrophobicContact CZ2-CE 4.09Å; W24-M84 HydrophobicContact CZ3-CE 4.07Å; V80-M84 PolarHBondContact O-N 3.03Å; W81-M84 HydrophobicContact CE3-SD 4.06Å; W81-M84 HydrophobicContact CZ3-SD 4.21Å; W81-M84 PolarHBondContact O-N 2.83Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 2.75Å; M84-D86 VanDerWaalsContact C-N 3.28Å; M84-D86 PolarHBondContact O-N 2.81Å; M84-Y87 WeakPolarHBondContact O-CB 3.46Å; M84-Y87 PolarHBondContact O-N 3.49Å; M84-F88 HydrophobicContact CE-CE2 3.95Å; M84-F88 HydrophobicContact CG-CD2 4.34Å; M84-F88 HydrophobicContact CG-CE2 4.11Å; M84-F88 WeakPolarHBondContact O-CD2 3.22Å; M84-F88 PolarHBondContact O-N 2.97Å; M84-F119 HydrophobicContact CE-CD1 4.44Å; M84-F119 HydrophobicContact SD-CD1 4.43Å; M84-F119 HydrophobicContact SD-CE1 4.45Å; M84-I120 HydrophobicContact CE-CD1 3.82Å; M84-I120 HydrophobicContact CE-CG1 3.88Å; M84-I120 HydrophobicContact CG-CD1 3.88Å; M84-I120 HydrophobicContact CG-CG1 4.25Å; M84-I120 HydrophobicContact SD-CD1 4.01Å; M84-I120 HydrophobicContact SD-CG1 3.8Å
85R98.3Very high97.5Very high58 Ų5851.4 Ų51.422%0.21925%0.245CC..Hα-helixtrans-54.2-46.5173177.6-161.567.7-136.6-9.6111W81 D82 Y87 F88 P89 V90 I120 A126 T127W81-R85 WeakPolarHBondContact O-CB 3.11Å; W81-R85 PolarHBondContact O-N 3.08Å; D82-R85 WeakPolarHBondContact O-CB 3.24Å; D82-R85 PolarHBondContact O-N 3.07Å; D82-R85 IonicContact OD1-CZ 3.32Å; D82-R85 IonicContact OD1-NH1 3.58Å; D82-R85 PolarHBondContact OD1-NH1 3.36Å; D82-R85 IonicContact OD1-NH2 2.79Å; R85-Y87 VanDerWaalsContact C-N 3.31Å; R85-Y87 PolarHBondContact O-N 2.98Å; R85-F88 CarbonylContact O-C 3.58Å; R85-F88 PolarHBondContact O-N 2.9Å; R85-P89 CarbonylContact O-C 3.55Å; R85-P89 VanDerWaalsContact O-CA 3.26Å; R85-P89 WeakPolarHBondContact O-CA 3.34Å; R85-V90 HydrophobicContact CG-CB 4.02Å; R85-V90 PolarHBondContact O-N 2.8Å; R85-I120 HydrophobicContact CB-CG2 4.31Å; R85-A126 HydrophobicContact CB-CB 4.05Å; R85-A126 VanDerWaalsContact CD-O 3.32Å; R85-A126 WeakPolarHBondContact CD-O 3.42Å; R85-A126 PolarHBondContact NH1-O 2.78Å; R85-T127 HydrophobicContact CG-CG2 4.08Å
86D98.3Very high97.7Very high65 Ų6550.4 Ų50.435%0.34824%0.244SC..Hα-helixtrans-78.5-12.6-176.4-60.5-17.3000113.5Q17 D82 Y83 M84 P89Q17-D86 PolarHBondContact NE2-O 2.94Å; D82-D86 WeakPolarHBondContact O-CB 3.46Å; D82-D86 PolarHBondContact O-N 3.45Å; Y83-D86 PolarHBondContact O-N 3.09Å; M84-D86 VanDerWaalsContact C-N 3.28Å; M84-D86 PolarHBondContact O-N 2.81Å; D86-P89 VanDerWaalsContact O-CD 3.31Å; D86-P89 WeakPolarHBondContact O-CD 3.41Å
87Y98Very high97.8Very high2 Ų256.4 Ų56.41%0.00828%0.276CS..Hα-helixtrans-71-39.6168.6-179-82.8000111.4Q17 M18 V21 Y83 M84 R85 P89 R265 P276 R278Q17-Y87 HydrophobicContact CB-CD2 4.05Å; Q17-Y87 WeakPolarHBondContact O-CD2 3.49Å; M18-Y87 HydrophobicContact CE-CE2 3.97Å; M18-Y87 HydrophobicContact SD-CE2 4.44Å; V21-Y87 HydrophobicContact CB-CD2 4.35Å; V21-Y87 HydrophobicContact CB-CE2 4.36Å; V21-Y87 HydrophobicContact CB-CG 4.47Å; V21-Y87 HydrophobicContact CG1-CE1 4.35Å; V21-Y87 HydrophobicContact CG2-CD1 3.57Å; V21-Y87 HydrophobicContact CG2-CD2 3.68Å; V21-Y87 HydrophobicContact CG2-CE1 4Å; V21-Y87 HydrophobicContact CG2-CE2 4.1Å; V21-Y87 HydrophobicContact CG2-CG 3.4Å; V21-Y87 VanDerWaalsContact CG2-CG 3.4Å; Y83-Y87 PolarHBondContact O-N 3.46Å; M84-Y87 WeakPolarHBondContact O-CB 3.46Å; M84-Y87 PolarHBondContact O-N 3.49Å; R85-Y87 VanDerWaalsContact C-N 3.31Å; R85-Y87 PolarHBondContact O-N 2.98Å; Y87-P89 WeakPolarHBondContact O-CD 3.31Å; Y87-R265 WeakPolarHBondContact OH-CD 3.2Å; Y87-P276 WeakPolarHBondContact CE1-O 3.16Å; Y87-P276 PolarHBondContact OH-O 2.82Å; Y87-R278 HydrophobicContact CD1-CG 3.87Å; Y87-R278 HydrophobicContact CD2-CG 4Å; Y87-R278 VanDerWaalsContact CD2-NE 3.26Å; Y87-R278 HydrophobicContact CE1-CB 4.32Å; Y87-R278 HydrophobicContact CE1-CG 3.44Å; Y87-R278 VanDerWaalsContact CE1-CG 3.44Å; Y87-R278 HydrophobicContact CE2-CG 3.58Å; Y87-R278 HydrophobicContact CG-CG 4.13Å
88F97.8Very high97.9Very high0 Ų051.1 Ų51.10%025%0.252CS..THydrogen-bonded Turntrans-104.914.5-178.7-61.2-70.7000114.2V21 M84 R85 V90 I120 L232 P276 Y277 K279 P280 I281V21-F88 HydrophobicContact CG1-CZ 4.29Å; V21-F88 HydrophobicContact CG2-CE2 3.82Å; V21-F88 HydrophobicContact CG2-CZ 4.15Å; M84-F88 HydrophobicContact CE-CE2 3.95Å; M84-F88 HydrophobicContact CG-CD2 4.34Å; M84-F88 HydrophobicContact CG-CE2 4.11Å; M84-F88 WeakPolarHBondContact O-CD2 3.22Å; M84-F88 PolarHBondContact O-N 2.97Å; R85-F88 CarbonylContact O-C 3.58Å; R85-F88 PolarHBondContact O-N 2.9Å; F88-V90 VanDerWaalsContact C-N 3.26Å; F88-V90 HydrophobicContact CB-CG2 3.6Å; F88-V90 PolarHBondContact O-N 2.83Å; F88-V90 VanDerWaalsContact O-N 3.1Å; F88-I120 HydrophobicContact CD2-CD1 3.85Å; F88-I120 HydrophobicContact CE2-CD1 4.33Å; F88-L232 HydrophobicContact CD1-CD2 3.7Å; F88-L232 HydrophobicContact CE1-CD1 4.18Å; F88-L232 HydrophobicContact CE1-CD2 3.78Å; F88-L232 HydrophobicContact CE1-CG 4.5Å; F88-P276 HydrophobicContact CE1-CB 3.86Å; F88-P276 HydrophobicContact CE1-CG 3.89Å; F88-P276 HydrophobicContact CZ-CB 4.05Å; F88-P276 HydrophobicContact CZ-CG 3.55Å; F88-Y277 WeakPolarHBondContact CE1-O 3.48Å; F88-K279 CarbonylContact C-O 3.6Å; F88-K279 WeakPolarHBondContact CA-O 3.31Å; F88-P280 CarbonylContact O-C 3.5Å; F88-P280 WeakPolarHBondContact O-CA 3.4Å; F88-I281 HydrophobicContact CB-CD1 3.84Å; F88-I281 HydrophobicContact CB-CG1 4.14Å; F88-I281 HydrophobicContact CD1-CD1 4.12Å; F88-I281 HydrophobicContact CD2-CD1 4.48Å; F88-I281 HydrophobicContact CG-CD1 3.93Å; F88-I281 PolarHBondContact O-N 2.81Å
89P97.1Very high98Very high68 Ų6852.1 Ų52.144%0.44226%0.258SS..THydrogen-bonded Turntrans24.556.8-160.9-17.6-5.2000117.2R85 D86 Y87 K91R85-P89 CarbonylContact O-C 3.55Å; R85-P89 VanDerWaalsContact O-CA 3.26Å; R85-P89 WeakPolarHBondContact O-CA 3.34Å; D86-P89 VanDerWaalsContact O-CD 3.31Å; D86-P89 WeakPolarHBondContact O-CD 3.41Å; Y87-P89 WeakPolarHBondContact O-CD 3.31Å; P89-K91 PolarHBondContact O-N 2.83Å
90V98.4Very high98Very high7 Ų746.5 Ų46.54%0.04224%0.244CC..  trans-69.6132.9-172.2-170.40000112.1R85 F88 I120 T127 I281R85-V90 HydrophobicContact CG-CB 4.02Å; R85-V90 PolarHBondContact O-N 2.8Å; F88-V90 VanDerWaalsContact C-N 3.26Å; F88-V90 HydrophobicContact CB-CG2 3.6Å; F88-V90 PolarHBondContact O-N 2.83Å; F88-V90 VanDerWaalsContact O-N 3.1Å; V90-I120 HydrophobicContact CB-CG2 4.29Å; V90-I120 HydrophobicContact CG1-CG2 4.3Å; V90-I120 HydrophobicContact CG2-CD1 3.61Å; V90-I120 HydrophobicContact CG2-CG2 4.26Å; V90-T127 HydrophobicContact CB-CG2 4.03Å; V90-T127 HydrophobicContact CG1-CG2 3.79Å; V90-I281 CarbonylContact C-O 3.55Å; V90-I281 VanDerWaalsContact CA-O 3.27Å; V90-I281 WeakPolarHBondContact CA-O 3.29Å; V90-I281 HydrophobicContact CG1-CB 4.29Å; V90-I281 HydrophobicContact CG1-CG2 4.4Å; V90-I281 HydrophobicContact CG2-CB 4.13Å; V90-I281 HydrophobicContact CG2-CD1 4.18Å
91K98.3Very high98Very high129 Ų12946.4 Ų46.456%0.56125%0.251SS*.EExtended strand (participates in β ladder)trans-125134172.3-63.3-177.7-175.9174.20111P89 I281 T283P89-K91 PolarHBondContact O-N 2.83Å; K91-I281 PolarHBondContact N-O 3.4Å; K91-T283 PolarHBondContact O-N 2.86Å
92L98.7Very high98.1Very high18 Ų1850 Ų509%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-103.8117.6170-17459.3000108.7N121 F122 F129 L132 F133 T283 V285L92-N121 HydrophobicContact CD1-CB 4.17Å; L92-N121 HydrophobicContact CD2-CB 4.39Å; L92-F122 HydrophobicContact CD1-CZ 4.36Å; L92-F129 HydrophobicContact CD2-CB 3.99Å; L92-F129 HydrophobicContact CD2-CD2 3.93Å; L92-F129 HydrophobicContact CD2-CG 4.47Å; L92-L132 HydrophobicContact CB-CD1 4.01Å; L92-L132 HydrophobicContact CD2-CD1 3.84Å; L92-L132 HydrophobicContact CG-CD1 3.84Å; L92-F133 HydrophobicContact CD2-CE2 4.5Å; L92-T283 CarbonylContact C-O 3.47Å; L92-T283 WeakPolarHBondContact CA-O 3.41Å; L92-T283 HydrophobicContact CD1-CG2 4.09Å; L92-V285 HydrophobicContact CD1-CG2 3.68Å
93V98.5Very high98.1Very high34 Ų3449.4 Ų49.421%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-106.3123.6-178.5-1780000108.5T283 V284 V285V93-T283 PolarHBondContact N-O 3.02Å; V93-V284 HydrophobicContact CB-CB 4.49Å; V93-V284 HydrophobicContact CB-CG1 4.35Å; V93-V284 HydrophobicContact CB-CG2 4.24Å; V93-V284 HydrophobicContact CG1-CG1 4.32Å; V93-V285 PolarHBondContact O-N 3.37Å
94K97.9Very high98.1Very high60 Ų6045.9 Ų45.926%0.26125%0.25SS..EExtended strand (participates in β ladder)trans-97.2125.8174.7171.7-179.6178.5-174.60109A96 D97 L132 F133K94-A96 WeakPolarHBondContact CE-O 3.44Å; K94-A96 VanDerWaalsContact CG-O 3.26Å; K94-A96 WeakPolarHBondContact CG-O 3.33Å; K94-D97 WeakPolarHBondContact CE-OD1 3.22Å; K94-D97 IonicContact NZ-OD1 3.33Å; K94-D97 PolarHBondContact NZ-OD1 2.91Å; K94-L132 HydrophobicContact CB-CD2 4.28Å; K94-L132 HydrophobicContact CD-CB 4.29Å; K94-L132 VanDerWaalsContact CD-O 3.3Å; K94-L132 WeakPolarHBondContact CD-O 2.91Å; K94-L132 WeakPolarHBondContact CE-O 3.37Å; K94-L132 PolarHBondContact NZ-O 3.42Å; K94-F133 HydrophobicContact CB-CE1 4.32Å; K94-F133 HydrophobicContact CB-CZ 3.84Å; K94-F133 HydrophobicContact CD-CD1 4.27Å; K94-F133 HydrophobicContact CD-CE1 3.77Å; K94-F133 HydrophobicContact CD-CZ 4.08Å; K94-F133 HydrophobicContact CG-CE1 3.67Å; K94-F133 HydrophobicContact CG-CZ 3.71Å
95T98.3Very high98.1Very high63 Ų6345.9 Ų45.939%0.38725%0.25SS..  trans-100.4-22.5174.769.80000113.4V284 V285 G286 R287 L316T95-V284 HydrophobicContact CG2-CG1 3.56Å; T95-V285 WeakPolarHBondContact CG2-O 3.14Å; T95-V285 PolarHBondContact N-O 3.29Å; T95-V285 VanDerWaalsContact N-O 3.15Å; T95-V285 PolarHBondContact OG1-O 3.31Å; T95-G286 VanDerWaalsContact OG1-C 3.26Å; T95-G286 WeakPolarHBondContact OG1-CA 3.25Å; T95-R287 PolarHBondContact OG1-N 3.43Å; T95-L316 HydrophobicContact CG2-CD1 4.11Å
96A97.5Very high98.2Very high27 Ų2743.1 Ų43.122%0.22324%0.24CC..SBendtrans-144.9156.7178.800000112.3K94 R287K94-A96 WeakPolarHBondContact CE-O 3.44Å; K94-A96 VanDerWaalsContact CG-O 3.26Å; K94-A96 WeakPolarHBondContact CG-O 3.33Å; A96-R287 HydrophobicContact CB-CB 4.08Å
97D98Very high98.2Very high128 Ų12840 Ų4068%0.68422%0.223SC*.  trans-68.9143.9167.6-70.9-52.4000111.3K94K94-D97 WeakPolarHBondContact CE-OD1 3.22Å; K94-D97 IonicContact NZ-OD1 3.33Å; K94-D97 PolarHBondContact NZ-OD1 2.91Å
98L98.2Very high98.2Very high9 Ų940 Ų405%0.04722%0.223CC..  trans-113.7124.3170.5-58.4-177000107.8P100 Y104 F133 L136 V222 P288L98-P100 WeakPolarHBondContact O-CD 3.49Å; L98-Y104 HydrophobicContact CB-CE1 4.29Å; L98-Y104 HydrophobicContact CB-CE2 3.92Å; L98-Y104 HydrophobicContact CD2-CD1 4.24Å; L98-Y104 HydrophobicContact CD2-CE1 3.81Å; L98-Y104 HydrophobicContact CG-CE1 4.47Å; L98-F133 HydrophobicContact CB-CD1 4.01Å; L98-F133 HydrophobicContact CD1-CD1 3.61Å; L98-F133 HydrophobicContact CD1-CE1 3.72Å; L98-F133 HydrophobicContact CD1-CG 4.31Å; L98-F133 HydrophobicContact CG-CD1 3.65Å; L98-F133 HydrophobicContact CG-CE1 3.72Å; L98-L136 HydrophobicContact CB-CD1 3.72Å; L98-L136 HydrophobicContact CD1-CD1 3.72Å; L98-L136 HydrophobicContact CG-CD1 4.38Å; L98-V222 HydrophobicContact CD2-CG2 4.12Å; L98-P288 HydrophobicContact CD2-CB 3.89Å; L98-P288 HydrophobicContact CD2-CG 3.91Å
99D97.9Very high98.2Very high82 Ų8240 Ų4044%0.43922%0.223SC..  trans-66.4116.6177.5176.96.7000110.4G101 K102 Y104D99-G101 PolarHBondContact O-N 3.34Å; D99-G101 VanDerWaalsContact O-N 3.09Å; D99-G101 WeakPolarHBondContact OD1-CA 3.37Å; D99-G101 PolarHBondContact OD1-N 3.48Å; D99-K102 HydrophobicContact CB-CG 4.08Å; D99-K102 PolarHBondContact O-N 3.29Å; D99-Y104 PolarHBondContact N-OH 3.43Å; D99-Y104 WeakPolarHBondContact O-CE2 3.44Å; D99-Y104 PolarHBondContact O-OH 3.09Å
100P97.6Very high98.3Very high63 Ų6337 Ų3741%0.40920%0.204SC..THydrogen-bonded Turntrans-64.2-13.9177.928.3-35.3000113.3L98 K102 L136 G178 G179L98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-K102 PolarHBondContact O-N 3.41Å; P100-L136 HydrophobicContact CB-CD2 4.49Å; P100-G178 CarbonylContact O-C 3.46Å; P100-G179 WeakPolarHBondContact O-CA 3.45Å; P100-G179 PolarHBondContact O-N 3.45Å
101G97.9Very high98.1Very high36 Ų3638.2 Ų38.237%0.37121%0.209SC..THydrogen-bonded Turntrans-73.9-3.3171.300000114.7D99 G177D99-G101 PolarHBondContact O-N 3.34Å; D99-G101 VanDerWaalsContact O-N 3.09Å; D99-G101 WeakPolarHBondContact OD1-CA 3.37Å; D99-G101 PolarHBondContact OD1-N 3.48Å; G101-G177 CarbonylContact C-O 3.57Å; G101-G177 WeakPolarHBondContact CA-O 3.22Å
102K98.2Very high97.9Very high93 Ų9332 Ų3240%0.40418%0.182SC..SBendtrans-119.6159.3-179.1-56.7-61.8178.2-1740112.3D99 P100 Y104 G178 G179D99-K102 HydrophobicContact CB-CG 4.08Å; D99-K102 PolarHBondContact O-N 3.29Å; P100-K102 PolarHBondContact O-N 3.41Å; K102-Y104 HydrophobicContact CB-CE2 3.87Å; K102-Y104 WeakPolarHBondContact O-CE2 3.2Å; K102-G178 WeakPolarHBondContact O-CA 3.42Å; K102-G179 PolarHBondContact O-N 3.18Å
103N98.6Very high97.6Very high18 Ų1831.8 Ų31.810%0.09618%0.181CC..  trans-101.5149.7169.4-67.7-39.7000109.8L173 R175 G178 G179 N180 A219 H220N103-L173 HydrophobicContact CB-CD2 4.01Å; N103-L173 PolarHBondContact ND2-O 3.39Å; N103-R175 PolarHBondContact ND2-O 2.97Å; N103-G178 VanDerWaalsContact OD1-CA 3.22Å; N103-G178 WeakPolarHBondContact OD1-CA 3.23Å; N103-G179 PolarHBondContact OD1-N 3.11Å; N103-N180 CarbonylContact C-O 3.54Å; N103-N180 VanDerWaalsContact CA-O 3.28Å; N103-N180 WeakPolarHBondContact CA-O 3.18Å; N103-N180 WeakPolarHBondContact OD1-CB 3.44Å; N103-N180 PolarHBondContact OD1-N 3.41Å; N103-N180 VanDerWaalsContact OD1-N 3.09Å; N103-A219 HydrophobicContact CB-CB 4.27Å; N103-A219 CarbonylContact O-C 3.52Å; N103-A219 VanDerWaalsContact O-CA 3.31Å; N103-A219 WeakPolarHBondContact O-CA 3.34Å; N103-H220 PolarHBondContact O-N 3Å
104Y98.8Very high97.3Very high4 Ų430.6 Ų30.62%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-131.5148.1-173.9-61.7-86000112L98 D99 K102 L136 N180 A181 V182 H220 V222 P288L98-Y104 HydrophobicContact CB-CE1 4.29Å; L98-Y104 HydrophobicContact CB-CE2 3.92Å; L98-Y104 HydrophobicContact CD2-CD1 4.24Å; L98-Y104 HydrophobicContact CD2-CE1 3.81Å; L98-Y104 HydrophobicContact CG-CE1 4.47Å; D99-Y104 PolarHBondContact N-OH 3.43Å; D99-Y104 WeakPolarHBondContact O-CE2 3.44Å; D99-Y104 PolarHBondContact O-OH 3.09Å; K102-Y104 HydrophobicContact CB-CE2 3.87Å; K102-Y104 WeakPolarHBondContact O-CE2 3.2Å; Y104-L136 HydrophobicContact CD2-CD1 3.92Å; Y104-L136 HydrophobicContact CD2-CD2 4.17Å; Y104-L136 HydrophobicContact CE2-CD1 4.06Å; Y104-L136 HydrophobicContact CE2-CD2 4.1Å; Y104-N180 PolarHBondContact N-O 2.72Å; Y104-A181 CarbonylContact O-C 3.55Å; Y104-A181 WeakPolarHBondContact O-CA 3.35Å; Y104-V182 PolarHBondContact O-N 3.14Å; Y104-H220 CarbonylContact C-O 3.6Å; Y104-H220 VanDerWaalsContact CA-O 3.25Å; Y104-H220 WeakPolarHBondContact CA-O 3.43Å; Y104-H220 HydrophobicContact CD1-CB 3.68Å; Y104-H220 HydrophobicContact CE1-CB 3.72Å; Y104-V222 HydrophobicContact CD1-CG2 3.63Å; Y104-V222 HydrophobicContact CE1-CG2 4.4Å; Y104-V222 HydrophobicContact CG-CG2 4.34Å; Y104-P288 HydrophobicContact CE1-CB 3.96Å
105I98.9Very high97.1Very high0 Ų028.6 Ų28.60%017%0.166CC..EExtended strand (participates in β ladder)trans-112.3112.1160.7-61.3-179000107.7L173 V182 I184 F210 L213 A214 A219 H220 L221 V222I105-L173 HydrophobicContact CD1-CD1 3.68Å; I105-L173 HydrophobicContact CG1-CD1 3.81Å; I105-L173 HydrophobicContact CG1-CD2 4.14Å; I105-V182 CarbonylContact C-O 3.53Å; I105-V182 WeakPolarHBondContact CA-O 3.47Å; I105-I184 HydrophobicContact CG2-CD1 3.67Å; I105-I184 HydrophobicContact CG2-CG1 4.02Å; I105-F210 HydrophobicContact CG2-CD2 4.34Å; I105-L213 HydrophobicContact CD1-CB 4.15Å; I105-L213 HydrophobicContact CD1-CD2 3.95Å; I105-L213 HydrophobicContact CD1-CG 3.96Å; I105-A214 HydrophobicContact CD1-CB 3.9Å; I105-A219 HydrophobicContact CG1-CB 4.25Å; I105-H220 PolarHBondContact N-O 2.7Å; I105-L221 HydrophobicContact CB-CD2 4.02Å; I105-L221 HydrophobicContact CG2-CD2 4.26Å; I105-V222 PolarHBondContact O-N 3.18Å
106L98.9Very high97.1Very high0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-89.7104.5175.2-80.359.2000107.7F108 F122 F129 A181 V182 V183 I184 V222 V224L106-F108 PolarHBondContact O-N 2.97Å; L106-F122 HydrophobicContact CD2-CD1 4.28Å; L106-F122 HydrophobicContact CD2-CE1 3.73Å; L106-F122 HydrophobicContact CD2-CZ 4.28Å; L106-F129 HydrophobicContact CD2-CE2 4.4Å; L106-A181 HydrophobicContact CD1-CB 3.81Å; L106-A181 HydrophobicContact CD2-CB 4.44Å; L106-V182 PolarHBondContact N-O 2.86Å; L106-V183 HydrophobicContact CB-CB 4.48Å; L106-V183 HydrophobicContact CB-CG1 4.36Å; L106-V183 HydrophobicContact CB-CG2 4.14Å; L106-V183 HydrophobicContact CD2-CG2 4.17Å; L106-V183 WeakPolarHBondContact O-CA 3.4Å; L106-I184 PolarHBondContact O-N 2.58Å; L106-V222 WeakPolarHBondContact CA-O 3.25Å; L106-V222 HydrophobicContact CD1-CB 4.12Å; L106-V222 HydrophobicContact CD1-CG2 4.1Å; L106-V222 HydrophobicContact CG-CB 4.1Å; L106-V224 HydrophobicContact CB-CG2 3.96Å; L106-V224 HydrophobicContact CD2-CG2 4.43Å; L106-V224 HydrophobicContact CG-CG2 4.1Å
107G98.6Very high97.1Very high0 Ų024.3 Ų24.30%014%0.138CC..EExtended strand (participates in β ladder)trans-82.8107.9174.400000109.7H109 I184 V222 V224 Y309G107-H109 PolarHBondContact O-CD2 2.86Å; G107-H109 PolarHBondContact O-NE2 3.41Å; G107-I184 CarbonylContact C-O 3.45Å; G107-V222 PolarHBondContact N-O 2.96Å; G107-V224 WeakPolarHBondContact O-CA 3.43Å; G107-V224 WeakPolarHBondContact O-CB 3.47Å; G107-V224 PolarHBondContact O-N 2.87Å; G107-Y309 VanDerWaalsContact CA-OH 3.24Å; G107-Y309 WeakPolarHBondContact CA-OH 3.41Å; G107-Y309 PolarHBondContact O-OH 2.99Å; G107-Y309 VanDerWaalsContact O-OH 3.09Å
108F98.8Very high97.1Very high0 Ų018.2 Ų18.20%011%0.105CC..EExtended strand (participates in β ladder)trans-90.4129.1-176.8-178.6-89.2000111.4L106 P110 V115 A118 F122 V183 I184 A185 V186 V224 S226 E229 T283L106-F108 PolarHBondContact O-N 2.97Å; F108-P110 WeakPolarHBondContact CE1-O 3.42Å; F108-V115 HydrophobicContact CD1-CG1 3.78Å; F108-V115 HydrophobicContact CE1-CG1 3.42Å; F108-V115 VanDerWaalsContact CE1-CG1 3.42Å; F108-V115 HydrophobicContact CZ-CG1 4.24Å; F108-A118 HydrophobicContact CD1-CB 3.98Å; F108-A118 HydrophobicContact CD2-CB 3.94Å; F108-A118 HydrophobicContact CE1-CB 3.84Å; F108-A118 HydrophobicContact CE2-CB 3.78Å; F108-A118 HydrophobicContact CG-CB 4.02Å; F108-A118 HydrophobicContact CZ-CB 3.73Å; F108-F122 AromaticContact CD2-CE2 3.79Å; F108-F122 HydrophobicContact CD2-CE2 3.79Å; F108-F122 HydrophobicContact CE2-CE2 4.17Å; F108-V183 HydrophobicContact CB-CG1 4.13Å; F108-I184 PolarHBondContact N-O 2.96Å; F108-A185 HydrophobicContact CD1-CB 4.31Å; F108-A185 WeakPolarHBondContact O-CA 3.18Å; F108-V186 PolarHBondContact O-N 3Å; F108-V224 HydrophobicContact CD2-CG1 3.83Å; F108-V224 HydrophobicContact CE2-CG1 4.49Å; F108-S226 VanDerWaalsContact CZ-CB 3.43Å; F108-E229 HydrophobicContact CE1-CG 4.34Å; F108-E229 HydrophobicContact CZ-CG 4.4Å; F108-T283 HydrophobicContact CD2-CG2 4.33Å; F108-T283 HydrophobicContact CE2-CG2 3.87Å
109H98.3Very high97.1Very high0 Ų018.9 Ų18.90%011%0.107CC..EExtended strand (participates in β ladder)trans-139.3148.6-179-52.8-88.9000112G107 V186 I202 V224 F225 S226 Y309G107-H109 PolarHBondContact O-CD2 2.86Å; G107-H109 PolarHBondContact O-NE2 3.41Å; H109-V186 VanDerWaalsContact CE1-CB 3.48Å; H109-V186 WeakPolarHBondContact CE1-CB 3.34Å; H109-I202 HydrophobicContact CB-CD1 4.04Å; H109-I202 HydrophobicContact CB-CG2 4.33Å; H109-I202 VanDerWaalsContact ND1-CG2 3.32Å; H109-I202 WeakPolarHBondContact ND1-CG2 3.36Å; H109-V224 PolarHBondContact N-O 2.95Å; H109-F225 HydrophobicContact CB-CD2 4.14Å; H109-F225 CarbonylContact O-C 3.51Å; H109-F225 VanDerWaalsContact O-CA 3.31Å; H109-F225 WeakPolarHBondContact O-CA 3.36Å; H109-S226 PolarHBondContact O-N 3.26Å; H109-Y309 AromaticContact NE2-CE1 3.68Å; H109-Y309 AromaticContact NE2-CZ 3.68Å; H109-Y309 PolarHBondContact NE2-OH 3.2Å
110P97.2Very high97.1Very high6 Ų615 Ų154%0.0399%0.087CC..  cis-71.9164.7-20.133.8-34.3000110.3F108 G112 E229F108-P110 WeakPolarHBondContact CE1-O 3.42Å; P110-G112 VanDerWaalsContact C-N 3.31Å; P110-G112 PolarHBondContact O-N 2.69Å; P110-E229 HydrophobicContact CG-CB 4.09Å
111H95.3Very high97.1Very high32 Ų3212 Ų1215%0.1487%0.067CC..  trans-60.8-39.6175-174.4-71.5000112V115 A185 G188 E191H111-V115 WeakPolarHBondContact CE1-CG2 3.49Å; H111-V115 WeakPolarHBondContact O-CA 3.41Å; H111-V115 WeakPolarHBondContact O-CG1 3.48Å; H111-V115 WeakPolarHBondContact O-CG2 3.45Å; H111-A185 HydrophobicContact CB-CB 4.17Å; H111-A185 WeakPolarHBondContact CD2-CB 3.34Å; H111-G188 VanDerWaalsContact CD2-C 3.49Å; H111-G188 VanDerWaalsContact CD2-CA 3.48Å; H111-G188 WeakPolarHBondContact CD2-CA 3.43Å; H111-G188 PolarHBondContact CD2-O 2.97Å; H111-E191 HydrophobicContact CB-CB 4.22Å; H111-E191 HydrophobicContact CB-CG 4.22Å; H111-E191 WeakPolarHBondContact CB-OE2 3.23Å; H111-E191 PolarHBondContact N-OE2 2.97Å
112G93.4Very high97.1Very high0 Ų010.3 Ų10.30%05%0.05CC..THydrogen-bonded Turntrans64.1-170.6-171.300000112.7P110 A192 N230P110-G112 VanDerWaalsContact C-N 3.31Å; P110-G112 PolarHBondContact O-N 2.69Å; G112-A192 WeakPolarHBondContact O-CA 3.24Å; G112-A192 WeakPolarHBondContact O-CB 3.25Å; G112-N230 WeakPolarHBondContact CA-OD1 3.33Å
113V92.8Very high97.1Very high13 Ų135.9 Ų5.98%0.0793%0.031CC..THydrogen-bonded Turntrans-76.8-50.9-177.9-179.70000112A195 F233 Q235 P260 F262V113-A195 HydrophobicContact CG2-CB 4.05Å; V113-F233 HydrophobicContact CB-CD2 3.68Å; V113-F233 HydrophobicContact CB-CE2 4.13Å; V113-F233 HydrophobicContact CB-CG 4.34Å; V113-F233 HydrophobicContact CG1-CD2 4.21Å; V113-F233 HydrophobicContact CG1-CE2 4.45Å; V113-F233 HydrophobicContact CG2-CB 3.98Å; V113-F233 HydrophobicContact CG2-CD2 3.94Å; V113-F233 HydrophobicContact CG2-CG 4.25Å; V113-Q235 HydrophobicContact CG2-CG 4.37Å; V113-P260 HydrophobicContact CG1-CG 4Å; V113-F262 HydrophobicContact CG1-CB 4.19Å; V113-F262 HydrophobicContact CG1-CD1 3.3Å; V113-F262 HydrophobicContact CG1-CD2 4.26Å; V113-F262 HydrophobicContact CG1-CE1 3.57Å; V113-F262 HydrophobicContact CG1-CE2 4.47Å; V113-F262 HydrophobicContact CG1-CG 3.68Å; V113-F262 HydrophobicContact CG1-CZ 4.15Å; V113-F262 HydrophobicContact CG2-CB 4.47Å
114L92.4Very high97.1Very high8 Ų85.1 Ų5.14%0.0423%0.027CC..THydrogen-bonded Turntrans-121.44.9-174.6-59.4-173.3000113.4W24 F28 A116 F233 F262W24-L114 HydrophobicContact CH2-CB 3.42Å; W24-L114 VanDerWaalsContact CH2-CB 3.42Å; W24-L114 HydrophobicContact CH2-CD1 4Å; W24-L114 HydrophobicContact CH2-CG 4.38Å; W24-L114 HydrophobicContact CZ2-CB 4.17Å; W24-L114 WeakPolarHBondContact CZ2-O 3.37Å; W24-L114 HydrophobicContact CZ3-CB 4.12Å; W24-L114 HydrophobicContact CZ3-CD1 3.84Å; F28-L114 HydrophobicContact CD1-CD2 3.59Å; F28-L114 HydrophobicContact CE1-CD2 3.45Å; F28-L114 VanDerWaalsContact CE1-CD2 3.45Å; F28-L114 HydrophobicContact CG-CD2 4.31Å; F28-L114 HydrophobicContact CZ-CD2 4.07Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 2.86Å; L114-F233 HydrophobicContact CB-CE2 4.3Å; L114-F233 HydrophobicContact CD1-CE2 3.97Å; L114-F233 HydrophobicContact CD1-CZ 3.58Å; L114-F233 HydrophobicContact CG-CE2 3.91Å; L114-F233 HydrophobicContact CG-CZ 4.02Å; L114-F262 HydrophobicContact CD2-CE1 4.48Å; L114-F262 HydrophobicContact CD2-CZ 4.28Å
115V93.9Very high96.9Very high18 Ų186 Ų611%0.1093%0.03CC..  trans52.443.2177.9-141.80000113.3F108 H111 G117 A118 F119 A185 E229F108-V115 HydrophobicContact CD1-CG1 3.78Å; F108-V115 HydrophobicContact CE1-CG1 3.42Å; F108-V115 VanDerWaalsContact CE1-CG1 3.42Å; F108-V115 HydrophobicContact CZ-CG1 4.24Å; H111-V115 WeakPolarHBondContact CE1-CG2 3.49Å; H111-V115 WeakPolarHBondContact O-CA 3.41Å; H111-V115 WeakPolarHBondContact O-CG1 3.48Å; H111-V115 WeakPolarHBondContact O-CG2 3.45Å; V115-G117 VanDerWaalsContact C-N 3.29Å; V115-G117 PolarHBondContact O-N 2.8Å; V115-A118 HydrophobicContact CB-CB 4.25Å; V115-A118 HydrophobicContact CG1-CB 3.35Å; V115-A118 PolarHBondContact O-N 3.25Å; V115-F119 PolarHBondContact O-N 3.38Å; V115-A185 HydrophobicContact CG1-CB 4.3Å; V115-E229 VanDerWaalsContact CA-OE1 3.31Å; V115-E229 WeakPolarHBondContact CA-OE1 3.42Å
116A97.4Very high96.9Very high1 Ų16.5 Ų6.51%0.0083%0.034CC..Hα-helixtrans-58.3-41.2-174.900000112.1W24 L114 F119 I120 E229 L232 I281W24-A116 HydrophobicContact CH2-CB 3.58Å; W24-A116 HydrophobicContact CZ2-CB 4.12Å; W24-A116 HydrophobicContact CZ3-CB 4.2Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 2.86Å; A116-F119 PolarHBondContact O-N 3.35Å; A116-I120 VanDerWaalsContact O-CG1 3.31Å; A116-I120 WeakPolarHBondContact O-CG1 3.27Å; A116-I120 PolarHBondContact O-N 2.74Å; A116-E229 PolarHBondContact N-OE1 3.11Å; A116-L232 HydrophobicContact CB-CD1 3.58Å; A116-I281 HydrophobicContact CB-CD1 4.19Å
117G97.5Very high96.8Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-62.4-46.1177.300000111.8V115 F119 N121 E229V115-G117 VanDerWaalsContact C-N 3.29Å; V115-G117 PolarHBondContact O-N 2.8Å; G117-F119 PolarHBondContact O-N 3.23Å; G117-N121 VanDerWaalsContact O-CB 3.22Å; G117-N121 WeakPolarHBondContact O-CB 3.47Å; G117-N121 VanDerWaalsContact O-CG 3.27Å; G117-N121 PolarHBondContact O-N 3.21Å; G117-N121 PolarHBondContact O-ND2 3.3Å; G117-E229 VanDerWaalsContact CA-OE2 3.23Å; G117-E229 WeakPolarHBondContact CA-OE2 3.5Å; G117-E229 PolarHBondContact N-OE1 3.4Å; G117-E229 PolarHBondContact N-OE2 3.43Å
118A98Very high96.7Very high0 Ų08.4 Ų8.40%05%0.049CC..Hα-helixtrans-63.1-44.217800000111.8F108 V115 N121 F122 L140F108-A118 HydrophobicContact CD1-CB 3.98Å; F108-A118 HydrophobicContact CD2-CB 3.94Å; F108-A118 HydrophobicContact CE1-CB 3.84Å; F108-A118 HydrophobicContact CE2-CB 3.78Å; F108-A118 HydrophobicContact CG-CB 4.02Å; F108-A118 HydrophobicContact CZ-CB 3.73Å; V115-A118 HydrophobicContact CB-CB 4.25Å; V115-A118 HydrophobicContact CG1-CB 3.35Å; V115-A118 PolarHBondContact O-N 3.25Å; A118-N121 PolarHBondContact O-N 3.43Å; A118-F122 HydrophobicContact CB-CD2 4.13Å; A118-F122 WeakPolarHBondContact O-CB 3.33Å; A118-F122 VanDerWaalsContact O-CD2 3.25Å; A118-F122 WeakPolarHBondContact O-CD2 3.41Å; A118-F122 PolarHBondContact O-N 3.1Å; A118-L140 HydrophobicContact CB-CD1 4.16Å; A118-L140 HydrophobicContact CB-CD2 4.09Å
119F98Very high96.7Very high22 Ų228.5 Ų8.510%0.0965%0.05CC..Hα-helixtrans-61-51.2179.1178.2-96000111.7W24 W81 M84 V115 A116 G117 N121 C123 T124 A159 L161W24-F119 AromaticContact CD1-CD1 3.65Å; W24-F119 AromaticContact CD1-CE1 3.46Å; W24-F119 VanDerWaalsContact CD1-CE1 3.46Å; W24-F119 AromaticContact CD1-CZ 4Å; W24-F119 AromaticContact NE1-CD1 3.23Å; W24-F119 AromaticContact NE1-CE1 3.54Å; W24-F119 AromaticContact NE1-CG 3.54Å; W81-F119 HydrophobicContact CE3-CE1 4.01Å; W81-F119 HydrophobicContact CH2-CE1 4.06Å; W81-F119 AromaticContact CH2-CZ 3.99Å; W81-F119 HydrophobicContact CH2-CZ 3.99Å; W81-F119 HydrophobicContact CZ2-CZ 4.43Å; W81-F119 AromaticContact CZ3-CE1 3.7Å; W81-F119 HydrophobicContact CZ3-CE1 3.7Å; W81-F119 HydrophobicContact CZ3-CZ 4.12Å; M84-F119 HydrophobicContact CE-CD1 4.44Å; M84-F119 HydrophobicContact SD-CD1 4.43Å; M84-F119 HydrophobicContact SD-CE1 4.45Å; V115-F119 PolarHBondContact O-N 3.38Å; A116-F119 PolarHBondContact O-N 3.35Å; G117-F119 PolarHBondContact O-N 3.23Å; F119-N121 VanDerWaalsContact C-N 3.33Å; F119-N121 PolarHBondContact O-N 2.95Å; F119-C123 HydrophobicContact CD2-CB 3.73Å; F119-C123 HydrophobicContact CE2-CB 3.79Å; F119-C123 HydrophobicContact CG-CB 4.34Å; F119-C123 HydrophobicContact CZ-CB 4.44Å; F119-C123 WeakPolarHBondContact O-CA 3.17Å; F119-C123 WeakPolarHBondContact O-CB 3.46Å; F119-C123 PolarHBondContact O-N 3.42Å; F119-T124 HydrophobicContact CD1-CG2 4.26Å; F119-T124 HydrophobicContact CE1-CG2 3.78Å; F119-T124 HydrophobicContact CZ-CG2 4.22Å; F119-T124 PolarHBondContact O-N 3.33Å; F119-A159 HydrophobicContact CE2-CB 4.21Å; F119-L161 HydrophobicContact CE2-CD1 4.38Å
120I98.2Very high96.5Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-62.5-43.8-178.7-64.6167.4000110.2M84 R85 F88 V90 A116 T124 A126 T127M84-I120 HydrophobicContact CE-CD1 3.82Å; M84-I120 HydrophobicContact CE-CG1 3.88Å; M84-I120 HydrophobicContact CG-CD1 3.88Å; M84-I120 HydrophobicContact CG-CG1 4.25Å; M84-I120 HydrophobicContact SD-CD1 4.01Å; M84-I120 HydrophobicContact SD-CG1 3.8Å; R85-I120 HydrophobicContact CB-CG2 4.31Å; F88-I120 HydrophobicContact CD2-CD1 3.85Å; F88-I120 HydrophobicContact CE2-CD1 4.33Å; V90-I120 HydrophobicContact CB-CG2 4.29Å; V90-I120 HydrophobicContact CG1-CG2 4.3Å; V90-I120 HydrophobicContact CG2-CD1 3.61Å; V90-I120 HydrophobicContact CG2-CG2 4.26Å; A116-I120 VanDerWaalsContact O-CG1 3.31Å; A116-I120 WeakPolarHBondContact O-CG1 3.27Å; A116-I120 PolarHBondContact O-N 2.74Å; I120-T124 PolarHBondContact O-OG1 3.45Å; I120-A126 HydrophobicContact CG2-CB 4.36Å; I120-T127 HydrophobicContact CG2-CG2 3.88Å
121N98.5Very high96.5Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-73.7-37.1-175.6-72.1-42.4000114.4L92 G117 A118 F119 T127 F129 T283L92-N121 HydrophobicContact CD1-CB 4.17Å; L92-N121 HydrophobicContact CD2-CB 4.39Å; G117-N121 VanDerWaalsContact O-CB 3.22Å; G117-N121 WeakPolarHBondContact O-CB 3.47Å; G117-N121 VanDerWaalsContact O-CG 3.27Å; G117-N121 PolarHBondContact O-N 3.21Å; G117-N121 PolarHBondContact O-ND2 3.3Å; A118-N121 PolarHBondContact O-N 3.43Å; F119-N121 VanDerWaalsContact C-N 3.33Å; F119-N121 PolarHBondContact O-N 2.95Å; N121-T127 WeakPolarHBondContact CA-OG1 3.46Å; N121-T127 VanDerWaalsContact OD1-CB 3.31Å; N121-T127 WeakPolarHBondContact OD1-CB 3.08Å; N121-T127 WeakPolarHBondContact OD1-CG2 3.49Å; N121-T127 PolarHBondContact OD1-OG1 3.14Å; N121-F129 WeakPolarHBondContact O-CB 3.27Å; N121-T283 WeakPolarHBondContact ND2-CB 3.44Å; N121-T283 PolarHBondContact ND2-OG1 2.94Å
122F98.3Very high96.6Very high1 Ų122.4 Ų22.40%0.00411%0.109CC..Hα-helixtrans-115.8-12.8-168.1-54.1-66000114.2R71 L92 L106 F108 A118 F129 S138 V183 V224 T283 V285R71-F122 PolarHBondContact NH2-O 3.36Å; L92-F122 HydrophobicContact CD1-CZ 4.36Å; L106-F122 HydrophobicContact CD2-CD1 4.28Å; L106-F122 HydrophobicContact CD2-CE1 3.73Å; L106-F122 HydrophobicContact CD2-CZ 4.28Å; F108-F122 AromaticContact CD2-CE2 3.79Å; F108-F122 HydrophobicContact CD2-CE2 3.79Å; F108-F122 HydrophobicContact CE2-CE2 4.17Å; A118-F122 HydrophobicContact CB-CD2 4.13Å; A118-F122 WeakPolarHBondContact O-CB 3.33Å; A118-F122 VanDerWaalsContact O-CD2 3.25Å; A118-F122 WeakPolarHBondContact O-CD2 3.41Å; A118-F122 PolarHBondContact O-N 3.1Å; F122-F129 AromaticContact CD1-CD2 3.67Å; F122-F129 HydrophobicContact CD1-CD2 3.67Å; F122-F129 AromaticContact CD1-CE2 3.67Å; F122-F129 HydrophobicContact CD1-CE2 3.67Å; F122-F129 AromaticContact CE1-CD2 3.84Å; F122-F129 HydrophobicContact CE1-CD2 3.84Å; F122-F129 AromaticContact CE1-CE2 3.77Å; F122-F129 HydrophobicContact CE1-CE2 3.77Å; F122-S138 WeakPolarHBondContact O-CB 3.04Å; F122-S138 PolarHBondContact O-OG 2.9Å; F122-V183 HydrophobicContact CB-CG2 3.9Å; F122-V183 HydrophobicContact CD1-CG2 3.97Å; F122-V183 HydrophobicContact CD2-CB 4.48Å; F122-V183 HydrophobicContact CD2-CG1 3.71Å; F122-V183 HydrophobicContact CD2-CG2 4.18Å; F122-V183 HydrophobicContact CE2-CG1 4.03Å; F122-V183 HydrophobicContact CG-CB 4.47Å; F122-V183 HydrophobicContact CG-CG1 4.16Å; F122-V183 HydrophobicContact CG-CG2 3.75Å; F122-V224 HydrophobicContact CE2-CG1 4.48Å; F122-V224 HydrophobicContact CZ-CG1 4.12Å; F122-T283 HydrophobicContact CE2-CG2 4.45Å; F122-T283 HydrophobicContact CZ-CG2 4.36Å; F122-V285 HydrophobicContact CZ-CG2 4.37Å
123C97.8Very high96.9Very high1 Ų122.5 Ų22.51%0.00711%0.109CC..Hα-helixtrans-106.5-22.3174.7-59.70000113.3C76 F119 L140 A159C76-C123 PolarHBondContact SG-O 3.43Å; F119-C123 HydrophobicContact CD2-CB 3.73Å; F119-C123 HydrophobicContact CE2-CB 3.79Å; F119-C123 HydrophobicContact CG-CB 4.34Å; F119-C123 HydrophobicContact CZ-CB 4.44Å; F119-C123 WeakPolarHBondContact O-CA 3.17Å; F119-C123 WeakPolarHBondContact O-CB 3.46Å; F119-C123 PolarHBondContact O-N 3.42Å; C123-L140 VanDerWaalsContact SG-CB 3.54Å; C123-L140 VanDerWaalsContact SG-CD2 3.58Å; C123-A159 WeakPolarHBondContact CA-O 3.42Å; C123-A159 HydrophobicContact CB-CB 4.2Å; C123-A159 WeakPolarHBondContact CB-O 3.48Å
124T97.3Very high97.1Very high2 Ų225.7 Ų25.71%0.01213%0.13CC..SBendtrans-114.2168.9179.188.80000110.9W81 F119 I120 A126W81-T124 HydrophobicContact CB-CG2 4.03Å; W81-T124 HydrophobicContact CD2-CG2 3.68Å; W81-T124 HydrophobicContact CE3-CG2 4.13Å; W81-T124 HydrophobicContact CG-CG2 3.62Å; F119-T124 HydrophobicContact CD1-CG2 4.26Å; F119-T124 HydrophobicContact CE1-CG2 3.78Å; F119-T124 HydrophobicContact CZ-CG2 4.22Å; F119-T124 PolarHBondContact O-N 3.33Å; I120-T124 PolarHBondContact O-OG1 3.45Å; T124-A126 WeakPolarHBondContact OG1-CB 3.28Å; T124-A126 PolarHBondContact OG1-N 3.04Å
125Y96.1Very high97.3Very high22 Ų2228 Ų289%0.08616%0.157CC..SBendtrans-100.99.7173.6-56.7-45.5000113.9H73 C76 H77 T127 G128 R130H73-Y125 HydrophobicContact CB-CE2 4.24Å; H73-Y125 PolarHBondContact CE1-OH 3.28Å; H73-Y125 AromaticContact ND1-CE2 3.93Å; H73-Y125 AromaticContact ND1-CZ 3.64Å; H73-Y125 PolarHBondContact ND1-OH 2.87Å; C76-Y125 HydrophobicContact CB-CD2 3.47Å; C76-Y125 VanDerWaalsContact CB-CD2 3.47Å; C76-Y125 HydrophobicContact CB-CE1 4.42Å; C76-Y125 HydrophobicContact CB-CE2 3.24Å; C76-Y125 HydrophobicContact CB-CG 4.23Å; C76-Y125 PolarHBondContact O-N 2.84Å; H77-Y125 HydrophobicContact CB-CD2 4.44Å; H77-Y125 AromaticContact CD2-CD2 3.67Å; H77-Y125 AromaticContact CE1-CD2 3.04Å; H77-Y125 WeakPolarHBondContact CE1-CD2 3.28Å; H77-Y125 AromaticContact CE1-CE2 3.37Å; H77-Y125 WeakPolarHBondContact CE1-CE2 3.42Å; H77-Y125 AromaticContact CE1-CG 3.95Å; H77-Y125 AromaticContact CG-CD2 3.52Å; H77-Y125 AromaticContact ND1-CD2 3.14Å; H77-Y125 WeakPolarHBondContact ND1-CD2 3.41Å; H77-Y125 AromaticContact ND1-CE2 3.44Å; H77-Y125 WeakPolarHBondContact ND1-CE2 3.49Å; H77-Y125 AromaticContact NE2-CD2 3.38Å; H77-Y125 WeakPolarHBondContact NE2-CD2 3.23Å; H77-Y125 AromaticContact NE2-CG 3.9Å; Y125-T127 VanDerWaalsContact C-N 3.29Å; Y125-T127 PolarHBondContact O-N 3.01Å; Y125-G128 PolarHBondContact O-N 3.26Å; Y125-G128 VanDerWaalsContact O-N 3.1Å; Y125-R130 HydrophobicContact CD1-CG 4.06Å; Y125-R130 HydrophobicContact CE1-CG 3.75Å; Y125-R130 PolarHBondContact OH-NE 3Å
126A97.6Very high97.5Very high11 Ų1127.3 Ų27.39%0.09115%0.152CC..THydrogen-bonded Turntrans-62.5-33.1-174.200000113.3W81 R85 I120 T124W81-A126 HydrophobicContact CB-CB 3.88Å; W81-A126 WeakPolarHBondContact O-CB 3.34Å; R85-A126 HydrophobicContact CB-CB 4.05Å; R85-A126 VanDerWaalsContact CD-O 3.32Å; R85-A126 WeakPolarHBondContact CD-O 3.42Å; R85-A126 PolarHBondContact NH1-O 2.78Å; I120-A126 HydrophobicContact CG2-CB 4.36Å; T124-A126 WeakPolarHBondContact OG1-CB 3.28Å; T124-A126 PolarHBondContact OG1-N 3.04Å
127T97.8Very high97.5Very high23 Ų2328.8 Ų28.814%0.14116%0.16CC..THydrogen-bonded Turntrans-97.12.6178.457.80000113.5R85 V90 I120 N121 Y125R85-T127 HydrophobicContact CG-CG2 4.08Å; V90-T127 HydrophobicContact CB-CG2 4.03Å; V90-T127 HydrophobicContact CG1-CG2 3.79Å; I120-T127 HydrophobicContact CG2-CG2 3.88Å; N121-T127 WeakPolarHBondContact CA-OG1 3.46Å; N121-T127 VanDerWaalsContact OD1-CB 3.31Å; N121-T127 WeakPolarHBondContact OD1-CB 3.08Å; N121-T127 WeakPolarHBondContact OD1-CG2 3.49Å; N121-T127 PolarHBondContact OD1-OG1 3.14Å; Y125-T127 VanDerWaalsContact C-N 3.29Å; Y125-T127 PolarHBondContact O-N 3.01Å
128G97Very high97.5Very high17 Ų1728.9 Ų28.918%0.17516%0.16CC..  trans77.227173.900000115.3Y125 R130 K131 L132Y125-G128 PolarHBondContact O-N 3.26Å; Y125-G128 VanDerWaalsContact O-N 3.1Å; G128-R130 VanDerWaalsContact C-N 3.28Å; G128-R130 PolarHBondContact O-N 3.46Å; G128-K131 WeakPolarHBondContact O-CA 3.4Å; G128-K131 WeakPolarHBondContact O-CB 3.14Å; G128-K131 PolarHBondContact O-N 3.18Å; G128-L132 PolarHBondContact O-N 3.14Å
129F97.5Very high97.5Very high1 Ų129.9 Ų29.90%0.00417%0.165CC..Hα-helixtrans-44.8-49.2177.6176.6-92.6000113.2L92 L106 N121 F122 K131 L132 F133 L136 A181L92-F129 HydrophobicContact CD2-CB 3.99Å; L92-F129 HydrophobicContact CD2-CD2 3.93Å; L92-F129 HydrophobicContact CD2-CG 4.47Å; L106-F129 HydrophobicContact CD2-CE2 4.4Å; N121-F129 WeakPolarHBondContact O-CB 3.27Å; F122-F129 AromaticContact CD1-CD2 3.67Å; F122-F129 HydrophobicContact CD1-CD2 3.67Å; F122-F129 AromaticContact CD1-CE2 3.67Å; F122-F129 HydrophobicContact CD1-CE2 3.67Å; F122-F129 AromaticContact CE1-CD2 3.84Å; F122-F129 HydrophobicContact CE1-CD2 3.84Å; F122-F129 AromaticContact CE1-CE2 3.77Å; F122-F129 HydrophobicContact CE1-CE2 3.77Å; F129-K131 PolarHBondContact O-N 2.74Å; F129-L132 PolarHBondContact O-N 3.23Å; F129-L132 VanDerWaalsContact O-N 3.13Å; F129-F133 AromaticContact CD2-CD2 3.66Å; F129-F133 HydrophobicContact CD2-CD2 3.66Å; F129-F133 HydrophobicContact CD2-CE2 4.18Å; F129-F133 HydrophobicContact CE2-CB 4.5Å; F129-F133 AromaticContact CE2-CD2 3.52Å; F129-F133 HydrophobicContact CE2-CD2 3.52Å; F129-F133 HydrophobicContact CE2-CE2 4.11Å; F129-F133 HydrophobicContact CE2-CG 4.29Å; F129-F133 HydrophobicContact CG-CD2 4.36Å; F129-F133 HydrophobicContact CZ-CB 4.29Å; F129-F133 HydrophobicContact CZ-CD2 4.15Å; F129-F133 PolarHBondContact O-N 2.73Å; F129-L136 HydrophobicContact CE1-CB 4.23Å; F129-L136 HydrophobicContact CZ-CB 4.33Å; F129-A181 HydrophobicContact CZ-CB 4.42Å
130R94.9Very high97.5Very high94 Ų9429.4 Ų29.436%0.35516%0.163SC..Hα-helixtrans-65.3-22.5178.8-78.3-172.5158.8-138.2-8.4115H73 Y125 G128 P134 D137H73-R130 VanDerWaalsContact CE1-CZ 3.48Å; H73-R130 PolarHBondContact CE1-NH2 2.91Å; Y125-R130 HydrophobicContact CD1-CG 4.06Å; Y125-R130 HydrophobicContact CE1-CG 3.75Å; Y125-R130 PolarHBondContact OH-NE 3Å; G128-R130 VanDerWaalsContact C-N 3.28Å; G128-R130 PolarHBondContact O-N 3.46Å; R130-P134 WeakPolarHBondContact O-CA 3.48Å; R130-D137 IonicContact CZ-OD1 3.61Å; R130-D137 IonicContact NE-OD1 3.39Å; R130-D137 IonicContact NH2-OD1 2.72Å; R130-D137 PolarHBondContact NH2-OD1 2.87Å; R130-D137 IonicContact NH2-OD2 3.65Å
131K97.1Very high97.5Very high186 Ų18630.8 Ų30.881%0.80917%0.171SC*.Hα-helixtrans-81.5-38.5173.4-64-179.4179178.90110.7G128 F129G128-K131 WeakPolarHBondContact O-CA 3.4Å; G128-K131 WeakPolarHBondContact O-CB 3.14Å; G128-K131 PolarHBondContact O-N 3.18Å; F129-K131 PolarHBondContact O-N 2.74Å
132L98.1Very high97.3Very high51 Ų5131.9 Ų31.927%0.26718%0.176SC..Hα-helixtrans-71.8-38.1177.9-68.3171.3000111.8L92 K94 G128 F129 P134L92-L132 HydrophobicContact CB-CD1 4.01Å; L92-L132 HydrophobicContact CD2-CD1 3.84Å; L92-L132 HydrophobicContact CG-CD1 3.84Å; K94-L132 HydrophobicContact CB-CD2 4.28Å; K94-L132 HydrophobicContact CD-CB 4.29Å; K94-L132 VanDerWaalsContact CD-O 3.3Å; K94-L132 WeakPolarHBondContact CD-O 2.91Å; K94-L132 WeakPolarHBondContact CE-O 3.37Å; K94-L132 PolarHBondContact NZ-O 3.42Å; G128-L132 PolarHBondContact O-N 3.14Å; F129-L132 PolarHBondContact O-N 3.23Å; F129-L132 VanDerWaalsContact O-N 3.13Å; L132-P134 WeakPolarHBondContact O-CD 3.34Å
133F98.1Very high97.1Very high1 Ų133.9 Ų33.90%0.00419%0.186CC..SBendtrans-125.572.7-178.9-54.7-73.5000110.1L92 K94 L98 F129 G135 L136 V285L92-F133 HydrophobicContact CD2-CE2 4.5Å; K94-F133 HydrophobicContact CB-CE1 4.32Å; K94-F133 HydrophobicContact CB-CZ 3.84Å; K94-F133 HydrophobicContact CD-CD1 4.27Å; K94-F133 HydrophobicContact CD-CE1 3.77Å; K94-F133 HydrophobicContact CD-CZ 4.08Å; K94-F133 HydrophobicContact CG-CE1 3.67Å; K94-F133 HydrophobicContact CG-CZ 3.71Å; L98-F133 HydrophobicContact CB-CD1 4.01Å; L98-F133 HydrophobicContact CD1-CD1 3.61Å; L98-F133 HydrophobicContact CD1-CE1 3.72Å; L98-F133 HydrophobicContact CD1-CG 4.31Å; L98-F133 HydrophobicContact CG-CD1 3.65Å; L98-F133 HydrophobicContact CG-CE1 3.72Å; F129-F133 AromaticContact CD2-CD2 3.66Å; F129-F133 HydrophobicContact CD2-CD2 3.66Å; F129-F133 HydrophobicContact CD2-CE2 4.18Å; F129-F133 HydrophobicContact CE2-CB 4.5Å; F129-F133 AromaticContact CE2-CD2 3.52Å; F129-F133 HydrophobicContact CE2-CD2 3.52Å; F129-F133 HydrophobicContact CE2-CE2 4.11Å; F129-F133 HydrophobicContact CE2-CG 4.29Å; F129-F133 HydrophobicContact CG-CD2 4.36Å; F129-F133 HydrophobicContact CZ-CB 4.29Å; F129-F133 HydrophobicContact CZ-CD2 4.15Å; F129-F133 PolarHBondContact O-N 2.73Å; F133-G135 PolarHBondContact O-N 3.43Å; F133-L136 HydrophobicContact CB-CB 4.24Å; F133-L136 HydrophobicContact CB-CD1 3.99Å; F133-L136 HydrophobicContact CB-CG 4.25Å; F133-L136 PolarHBondContact O-N 2.68Å; F133-V285 HydrophobicContact CE1-CG1 4.37Å; F133-V285 HydrophobicContact CE2-CB 4.46Å; F133-V285 HydrophobicContact CE2-CG1 4.42Å; F133-V285 HydrophobicContact CE2-CG2 4.22Å; F133-V285 HydrophobicContact CZ-CB 3.91Å; F133-V285 HydrophobicContact CZ-CG1 3.74Å; F133-V285 HydrophobicContact CZ-CG2 4.17Å
134P97.6Very high96.9Very high80 Ų8035.7 Ų35.752%0.51920%0.198SC..THydrogen-bonded Turntrans-62.5137.6-177.627.5-34.9000110.8R130 L132 L136R130-P134 WeakPolarHBondContact O-CA 3.48Å; L132-P134 WeakPolarHBondContact O-CD 3.34Å; P134-L136 VanDerWaalsContact C-N 3.29Å; P134-L136 PolarHBondContact O-N 3.44Å
135G96.7Very high96.7Very high58 Ų5839.3 Ų39.360%0.59822%0.217SC*.THydrogen-bonded Turntrans83.3-4-178.400000115F133F133-G135 PolarHBondContact O-N 3.43Å
136L97.8Very high96.5Very high2 Ų241 Ų411%0.0122%0.223CC..  trans-96.5134.9173.7-62-167.7000113.1L98 P100 Y104 F129 F133 P134 G179 A181L98-L136 HydrophobicContact CB-CD1 3.72Å; L98-L136 HydrophobicContact CD1-CD1 3.72Å; L98-L136 HydrophobicContact CG-CD1 4.38Å; P100-L136 HydrophobicContact CB-CD2 4.49Å; Y104-L136 HydrophobicContact CD2-CD1 3.92Å; Y104-L136 HydrophobicContact CD2-CD2 4.17Å; Y104-L136 HydrophobicContact CE2-CD1 4.06Å; Y104-L136 HydrophobicContact CE2-CD2 4.1Å; F129-L136 HydrophobicContact CE1-CB 4.23Å; F129-L136 HydrophobicContact CZ-CB 4.33Å; F133-L136 HydrophobicContact CB-CB 4.24Å; F133-L136 HydrophobicContact CB-CD1 3.99Å; F133-L136 HydrophobicContact CB-CG 4.25Å; F133-L136 PolarHBondContact O-N 2.68Å; P134-L136 VanDerWaalsContact C-N 3.29Å; P134-L136 PolarHBondContact O-N 3.44Å; L136-G179 CarbonylContact C-O 3.44Å; L136-G179 WeakPolarHBondContact CA-O 3.49Å; L136-A181 HydrophobicContact CD1-CB 4.49Å
137D97.1Very high96.5Very high32 Ų3241 Ų4117%0.17122%0.221CC..EExtended strand (participates in β ladder)trans-104118.5165.7-85.1-50.4000110.7R130 F139 G179 N180 A181R130-D137 IonicContact CZ-OD1 3.61Å; R130-D137 IonicContact NE-OD1 3.39Å; R130-D137 IonicContact NH2-OD1 2.72Å; R130-D137 PolarHBondContact NH2-OD1 2.87Å; R130-D137 IonicContact NH2-OD2 3.65Å; D137-F139 HydrophobicContact CB-CE2 3.68Å; D137-F139 HydrophobicContact CB-CZ 4.09Å; D137-F139 VanDerWaalsContact O-CD2 3.32Å; D137-F139 WeakPolarHBondContact O-CD2 3.31Å; D137-F139 WeakPolarHBondContact O-CE2 3.36Å; D137-G179 PolarHBondContact N-O 3.46Å; D137-N180 CarbonylContact O-C 3.56Å; D137-N180 WeakPolarHBondContact O-CA 3.26Å; D137-A181 PolarHBondContact O-N 3.42Å
138S97.7Very high96.3Very high2 Ų247.8 Ų47.81%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-80.8142.2174.549.50000112.1R71 F122 A181R71-S138 PolarHBondContact NH1-O 3.37Å; R71-S138 PolarHBondContact NH1-OG 3.45Å; R71-S138 PolarHBondContact NH2-O 3.24Å; R71-S138 PolarHBondContact NH2-OG 2.96Å; F122-S138 WeakPolarHBondContact O-CB 3.04Å; F122-S138 PolarHBondContact O-OG 2.9Å; S138-A181 CarbonylContact C-O 3.59Å; S138-A181 VanDerWaalsContact CA-O 3.25Å; S138-A181 WeakPolarHBondContact CA-O 3.15Å
139F98.4Very high96.3Very high21 Ų2147.3 Ų47.39%0.09224%0.238CC..EExtended strand (participates in β ladder)trans-133108.2173.9-62.3-94.1000109G68 D137 G160 I162 V172 N180 A181 V182 V183G68-F139 WeakPolarHBondContact O-CE1 3.47Å; D137-F139 HydrophobicContact CB-CE2 3.68Å; D137-F139 HydrophobicContact CB-CZ 4.09Å; D137-F139 VanDerWaalsContact O-CD2 3.32Å; D137-F139 WeakPolarHBondContact O-CD2 3.31Å; D137-F139 WeakPolarHBondContact O-CE2 3.36Å; F139-G160 WeakPolarHBondContact CA-O 3.43Å; F139-I162 HydrophobicContact CB-CD1 3.86Å; F139-I162 HydrophobicContact CB-CG1 4.23Å; F139-I162 HydrophobicContact CD1-CG2 4.05Å; F139-V172 HydrophobicContact CD1-CG2 4.29Å; F139-V172 HydrophobicContact CD2-CG1 3.49Å; F139-V172 VanDerWaalsContact CD2-CG1 3.49Å; F139-V172 HydrophobicContact CE2-CG1 3.74Å; F139-V172 HydrophobicContact CG-CG1 3.96Å; F139-V172 HydrophobicContact CG-CG2 4.32Å; F139-V172 HydrophobicContact CZ-CG1 4.39Å; F139-N180 HydrophobicContact CD2-CB 4.44Å; F139-N180 HydrophobicContact CE2-CB 4.11Å; F139-A181 PolarHBondContact N-O 3.01Å; F139-V182 WeakPolarHBondContact O-CA 3.44Å; F139-V183 PolarHBondContact O-N 3.32Å
140L98.3Very high96.3Very high12 Ų1248 Ų486%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-86.4126.9-178.3-179.460.7000110.1A118 C123 G160 L161 I162 V183A118-L140 HydrophobicContact CB-CD1 4.16Å; A118-L140 HydrophobicContact CB-CD2 4.09Å; C123-L140 VanDerWaalsContact SG-CB 3.54Å; C123-L140 VanDerWaalsContact SG-CD2 3.58Å; L140-G160 PolarHBondContact N-O 3.37Å; L140-L161 HydrophobicContact CB-CD2 3.88Å; L140-L161 HydrophobicContact CD2-CD2 3.89Å; L140-L161 HydrophobicContact CG-CD2 3.88Å; L140-L161 WeakPolarHBondContact O-CA 3.21Å; L140-I162 PolarHBondContact O-N 3.37Å; L140-V183 HydrophobicContact CD1-CB 3.8Å; L140-V183 HydrophobicContact CD1-CG1 3.71Å
141L97.8Very high96.3Very high30 Ų3045.7 Ų45.716%0.15724%0.235CC..EExtended strand (participates in β ladder)trans-74.1134.7177.8-61-164000111I162 A169 V182 V183 I184L141-I162 WeakPolarHBondContact CA-O 3.42Å; L141-I162 HydrophobicContact CD2-CD1 3.59Å; L141-I162 HydrophobicContact CD2-CG1 3.43Å; L141-I162 VanDerWaalsContact CD2-CG1 3.43Å; L141-A169 HydrophobicContact CD1-CB 4.35Å; L141-A169 HydrophobicContact CD2-CB 4.36Å; L141-V182 HydrophobicContact CD1-CG1 4.09Å; L141-V182 HydrophobicContact CD2-CG1 3.77Å; L141-V182 HydrophobicContact CG-CG1 3.86Å; L141-V183 PolarHBondContact N-O 3.48Å; L141-I184 HydrophobicContact CD1-CB 4.39Å; L141-I184 HydrophobicContact CD1-CD1 3.74Å; L141-I184 HydrophobicContact CD1-CG1 3.57Å; L141-I184 HydrophobicContact CD1-CG2 4.29Å; L141-I184 HydrophobicContact CG-CG1 4.04Å
142M95.2Very high96.4Very high22 Ų2236.9 Ų36.911%0.10820%0.197CC..EExtended strand (participates in β ladder)trans-135.4153.1178.1-177.9173-162.800110.5F28 W146 F147 I156 L161 I162 P163 S164F28-M142 HydrophobicContact CE2-CE 4.27Å; M142-W146 HydrophobicContact CE-CB 4.25Å; M142-W146 HydrophobicContact CE-CD2 4.43Å; M142-W146 HydrophobicContact CE-CG 3.78Å; M142-W146 HydrophobicContact SD-CB 4.45Å; M142-F147 HydrophobicContact CB-CE2 4.03Å; M142-F147 HydrophobicContact CB-CZ 4.36Å; M142-F147 HydrophobicContact CG-CE2 4.43Å; M142-I156 HydrophobicContact SD-CD1 4.07Å; M142-I156 HydrophobicContact SD-CG2 4.46Å; M142-L161 HydrophobicContact CB-CB 4.45Å; M142-L161 HydrophobicContact CB-CD2 3.99Å; M142-L161 HydrophobicContact SD-CB 4.48Å; M142-L161 HydrophobicContact SD-CD1 3.98Å; M142-L161 HydrophobicContact SD-CD2 4.16Å; M142-L161 HydrophobicContact SD-CG 4.45Å; M142-I162 PolarHBondContact N-O 3.42Å; M142-P163 CarbonylContact O-C 3.56Å; M142-P163 WeakPolarHBondContact O-CA 3.27Å; M142-S164 WeakPolarHBondContact O-CB 3.35Å; M142-S164 PolarHBondContact O-N 3.01Å
143L92.9Very high96.3Very high44 Ų4434.6 Ų34.623%0.2319%0.185CC..  trans-51.2126.6-179.4-177.174.3000112.1L145 W146 I257L143-L145 HydrophobicContact CD2-CB 4.01Å; L143-L145 HydrophobicContact CG-CB 4.19Å; L143-L145 PolarHBondContact O-N 3.19Å; L143-L145 VanDerWaalsContact O-N 3.08Å; L143-W146 PolarHBondContact O-N 3.16Å; L143-I257 HydrophobicContact CD2-CD1 4.03Å; L143-I257 HydrophobicContact CD2-CG1 3.28Å
144P94Very high96.2Very high38 Ų3835.4 Ų35.425%0.24719%0.19CC..G310 helixtrans-58-27.6-174.5-28.736000115W146 F147 P163 S164P144-W146 PolarHBondContact O-N 3.37Å; P144-F147 PolarHBondContact O-N 3.09Å; P144-F147 VanDerWaalsContact O-N 3.07Å; P144-P163 HydrophobicContact CB-CB 4.19Å; P144-P163 HydrophobicContact CG-CB 4.14Å; P144-S164 WeakPolarHBondContact CD-OG 3.4Å
145L92.4Very high96.2Very high78 Ų7835.1 Ų35.141%0.40818%0.178SC..G310 helixtrans-54.8-37.1179.4-177.961.8000112.4L143 F147 R148 I257L143-L145 HydrophobicContact CD2-CB 4.01Å; L143-L145 HydrophobicContact CG-CB 4.19Å; L143-L145 PolarHBondContact O-N 3.19Å; L143-L145 VanDerWaalsContact O-N 3.08Å; L145-F147 PolarHBondContact O-N 3.27Å; L145-R148 WeakPolarHBondContact O-CB 3.31Å; L145-R148 PolarHBondContact O-N 3.19Å; L145-R148 VanDerWaalsContact O-N 3.09Å; L145-I257 HydrophobicContact CD2-CD1 3.45Å; L145-I257 VanDerWaalsContact CD2-CD1 3.45Å; L145-I257 HydrophobicContact CD2-CG1 4.44Å
146W93.4Very high96.2Very high59 Ų5932.6 Ų32.622%0.22315%0.151CC..G310 helixtrans-65.4-27.2-178.7-69124000113.5A32 M142 L143 P144 R148 A149 F152 I156A32-W146 HydrophobicContact CB-CE3 3.55Å; A32-W146 HydrophobicContact CB-CH2 4.39Å; A32-W146 HydrophobicContact CB-CZ3 3.29Å; M142-W146 HydrophobicContact CE-CB 4.25Å; M142-W146 HydrophobicContact CE-CD2 4.43Å; M142-W146 HydrophobicContact CE-CG 3.78Å; M142-W146 HydrophobicContact SD-CB 4.45Å; L143-W146 PolarHBondContact O-N 3.16Å; P144-W146 PolarHBondContact O-N 3.37Å; W146-R148 PolarHBondContact O-N 2.79Å; W146-A149 PolarHBondContact O-N 2.97Å; W146-F152 HydrophobicContact CB-CD1 4.32Å; W146-F152 HydrophobicContact CB-CE1 3.88Å; W146-F152 AromaticContact CD2-CE1 3.96Å; W146-F152 HydrophobicContact CD2-CE1 3.96Å; W146-F152 HydrophobicContact CE3-CD1 4.16Å; W146-F152 AromaticContact CE3-CE1 3.71Å; W146-F152 HydrophobicContact CE3-CE1 3.71Å; W146-F152 HydrophobicContact CG-CE1 4.08Å; W146-I156 HydrophobicContact CB-CD1 3.88Å
147F96.1Very high96.2Very high11 Ų1132.5 Ų32.55%0.04815%0.151CC..G310 helixtrans-77.4-5.8177.5-63.4-89.2000113.2P65 M142 P144 L145 R153 I156 M157 L161 I162 P163P65-F147 HydrophobicContact CB-CB 4.06Å; P65-F147 HydrophobicContact CB-CD1 3.55Å; P65-F147 HydrophobicContact CB-CE1 4.24Å; P65-F147 HydrophobicContact CB-CG 3.97Å; P65-F147 HydrophobicContact CG-CB 4.13Å; P65-F147 HydrophobicContact CG-CD1 3.98Å; P65-F147 HydrophobicContact CG-CG 4.43Å; M142-F147 HydrophobicContact CB-CE2 4.03Å; M142-F147 HydrophobicContact CB-CZ 4.36Å; M142-F147 HydrophobicContact CG-CE2 4.43Å; P144-F147 PolarHBondContact O-N 3.09Å; P144-F147 VanDerWaalsContact O-N 3.07Å; L145-F147 PolarHBondContact O-N 3.27Å; F147-R153 VanDerWaalsContact O-CB 3.3Å; F147-R153 WeakPolarHBondContact O-CB 3.5Å; F147-R153 VanDerWaalsContact O-CD 3.26Å; F147-R153 WeakPolarHBondContact O-CD 3.38Å; F147-I156 HydrophobicContact CD1-CD1 3.74Å; F147-I156 HydrophobicContact CD1-CG1 4.1Å; F147-I156 HydrophobicContact CD2-CD1 4.13Å; F147-I156 HydrophobicContact CE1-CD1 3.59Å; F147-I156 HydrophobicContact CE1-CG1 3.75Å; F147-I156 HydrophobicContact CE2-CD1 3.97Å; F147-I156 HydrophobicContact CG-CD1 4.03Å; F147-I156 HydrophobicContact CZ-CD1 3.7Å; F147-I156 HydrophobicContact CZ-CG1 4.18Å; F147-M157 HydrophobicContact CD1-CG 4.06Å; F147-M157 HydrophobicContact CE1-CG 3.82Å; F147-L161 WeakPolarHBondContact CE1-O 3.32Å; F147-L161 HydrophobicContact CZ-CB 4.1Å; F147-I162 VanDerWaalsContact CE2-C 3.5Å; F147-I162 VanDerWaalsContact CZ-CA 3.48Å; F147-P163 HydrophobicContact CB-CG 4.38Å; F147-P163 HydrophobicContact CD1-CG 4.26Å; F147-P163 HydrophobicContact CD2-CB 4.12Å; F147-P163 HydrophobicContact CD2-CG 3.67Å; F147-P163 HydrophobicContact CE1-CG 4.47Å; F147-P163 HydrophobicContact CE2-CB 4.24Å; F147-P163 HydrophobicContact CE2-CG 3.94Å; F147-P163 HydrophobicContact CG-CG 3.84Å; F147-P163 HydrophobicContact CZ-CG 4.33Å
148R94.9Very high96.1Very high165 Ų16534 Ų3462%0.62316%0.158SC*.G310 helixtrans-91.5-9.6172.4-59.2-176.1179.71690.2113.2F58 L145 W146F58-R148 WeakPolarHBondContact CZ-O 3.31Å; L145-R148 WeakPolarHBondContact O-CB 3.31Å; L145-R148 PolarHBondContact O-N 3.19Å; L145-R148 VanDerWaalsContact O-N 3.09Å; W146-R148 PolarHBondContact O-N 2.79Å
149A96.4Very high96Very high6 Ų634.7 Ų34.75%0.0516%0.163CC..SBendtrans-79.9120.7177.700000110.5A32 I36 W146 F152 R153A32-A149 HydrophobicContact CB-CB 4.26Å; I36-A149 HydrophobicContact CD1-CB 4.05Å; I36-A149 HydrophobicContact CG1-CB 4.1Å; W146-A149 PolarHBondContact O-N 2.97Å; A149-F152 HydrophobicContact CB-CB 3.9Å; A149-F152 HydrophobicContact CB-CD1 4.2Å; A149-R153 PolarHBondContact O-N 3.35Å
150P96.7Very high95.9Very high15 Ų1533.7 Ų33.710%0.09716%0.159CC..THydrogen-bonded Turntrans-59.2145.7178.227.6-35.9000110.5C35 I36 F39 Y54 F58 F152C35-P150 WeakPolarHBondContact CB-O 3.26Å; I36-P150 HydrophobicContact CG1-CG 4.34Å; F39-P150 HydrophobicContact CB-CB 4.11Å; F39-P150 HydrophobicContact CB-CG 3.67Å; F39-P150 HydrophobicContact CD1-CG 4.22Å; F39-P150 HydrophobicContact CD2-CB 3.91Å; F39-P150 HydrophobicContact CD2-CG 4.27Å; F39-P150 HydrophobicContact CG-CB 3.96Å; F39-P150 HydrophobicContact CG-CG 3.79Å; Y54-P150 HydrophobicContact CD1-CB 4.18Å; Y54-P150 HydrophobicContact CE1-CB 3.48Å; Y54-P150 VanDerWaalsContact CE1-CB 3.48Å; F58-P150 HydrophobicContact CE2-CB 4.42Å; P150-F152 PolarHBondContact O-N 3.07Å
151F96.6Very high95.9Very high46 Ų4633.7 Ų33.720%0.20216%0.159CC..THydrogen-bonded Turntrans61.7-41.6-173.1-45.1-59.4000115.3C35 M38 F39 Y54 R153 D154 Y155C35-F151 HydrophobicContact CB-CB 4.09Å; C35-F151 HydrophobicContact CB-CD2 4.32Å; M38-F151 HydrophobicContact CE-CD2 3.42Å; M38-F151 VanDerWaalsContact CE-CD2 3.42Å; M38-F151 HydrophobicContact CE-CE2 3.67Å; M38-F151 HydrophobicContact CE-CG 4.07Å; F39-F151 HydrophobicContact CB-CD2 4.32Å; F39-F151 HydrophobicContact CB-CE2 3.68Å; F39-F151 HydrophobicContact CB-CZ 4.46Å; F39-F151 HydrophobicContact CD2-CE2 4.02Å; F39-F151 AromaticContact CD2-CZ 3.98Å; F39-F151 HydrophobicContact CD2-CZ 3.98Å; F39-F151 HydrophobicContact CG-CE2 4.36Å; Y54-F151 HydrophobicContact CD1-CD1 4.16Å; Y54-F151 AromaticContact CD1-CE1 3.71Å; Y54-F151 HydrophobicContact CD1-CE1 3.71Å; Y54-F151 HydrophobicContact CD1-CZ 4.14Å; Y54-F151 AromaticContact CD2-CD1 3.75Å; Y54-F151 HydrophobicContact CD2-CD1 3.75Å; Y54-F151 AromaticContact CD2-CE1 3.47Å; Y54-F151 HydrophobicContact CD2-CE1 3.47Å; Y54-F151 VanDerWaalsContact CD2-CE1 3.47Å; Y54-F151 HydrophobicContact CE1-CD1 4.02Å; Y54-F151 HydrophobicContact CE1-CE1 4.05Å; Y54-F151 AromaticContact CE2-CD1 3.6Å; Y54-F151 HydrophobicContact CE2-CD1 3.6Å; Y54-F151 AromaticContact CE2-CE1 3.84Å; Y54-F151 HydrophobicContact CE2-CE1 3.84Å; Y54-F151 HydrophobicContact CG-CD1 4.04Å; Y54-F151 AromaticContact CG-CE1 3.4Å; Y54-F151 HydrophobicContact CG-CE1 3.4Å; Y54-F151 VanDerWaalsContact CG-CE1 3.4Å; Y54-F151 HydrophobicContact CG-CZ 4.1Å; Y54-F151 AromaticContact CZ-CD1 3.75Å; Y54-F151 VanDerWaalsContact CZ-N 3.32Å; Y54-F151 PolarHBondContact OH-N 3.09Å; F151-R153 PolarHBondContact O-N 3.41Å; F151-D154 PolarHBondContact O-N 3.07Å; F151-Y155 PolarHBondContact O-N 3.43Å
152F97.6Very high95.9Very high2 Ų232.3 Ų32.31%0.00915%0.151CC..Hα-helixtrans-64.4-39.9178.5-176.1-113000112.1S27 L31 A32 C35 W146 A149 P150 D154 Y155 I156S27-F152 WeakPolarHBondContact O-CE2 3.23Å; S27-F152 WeakPolarHBondContact O-CZ 3.32Å; L31-F152 HydrophobicContact CB-CD2 4.14Å; L31-F152 HydrophobicContact CB-CE2 4.12Å; L31-F152 HydrophobicContact CD2-CD2 3.81Å; L31-F152 HydrophobicContact CD2-CE2 3.96Å; L31-F152 HydrophobicContact CG-CD2 3.8Å; L31-F152 HydrophobicContact CG-CE2 4.17Å; A32-F152 HydrophobicContact CB-CB 4.2Å; A32-F152 HydrophobicContact CB-CD1 3.56Å; A32-F152 HydrophobicContact CB-CD2 4.15Å; A32-F152 HydrophobicContact CB-CE1 3.83Å; A32-F152 HydrophobicContact CB-CE2 4.41Å; A32-F152 HydrophobicContact CB-CG 3.7Å; A32-F152 HydrophobicContact CB-CZ 4.24Å; C35-F152 HydrophobicContact CB-CB 4.23Å; W146-F152 HydrophobicContact CB-CD1 4.32Å; W146-F152 HydrophobicContact CB-CE1 3.88Å; W146-F152 AromaticContact CD2-CE1 3.96Å; W146-F152 HydrophobicContact CD2-CE1 3.96Å; W146-F152 HydrophobicContact CE3-CD1 4.16Å; W146-F152 AromaticContact CE3-CE1 3.71Å; W146-F152 HydrophobicContact CE3-CE1 3.71Å; W146-F152 HydrophobicContact CG-CE1 4.08Å; A149-F152 HydrophobicContact CB-CB 3.9Å; A149-F152 HydrophobicContact CB-CD1 4.2Å; P150-F152 PolarHBondContact O-N 3.07Å; F152-D154 PolarHBondContact O-N 2.95Å; F152-Y155 HydrophobicContact CD2-CD1 4.15Å; F152-Y155 HydrophobicContact CE2-CD1 4.03Å; F152-Y155 HydrophobicContact CE2-CE1 4.5Å; F152-Y155 WeakPolarHBondContact O-CB 3.43Å; F152-Y155 PolarHBondContact O-N 3.03Å; F152-Y155 VanDerWaalsContact O-N 3.14Å; F152-I156 HydrophobicContact CD1-CD1 4.29Å; F152-I156 HydrophobicContact CD1-CG2 4.21Å; F152-I156 HydrophobicContact CD2-CG2 4.26Å; F152-I156 HydrophobicContact CE1-CD1 4.14Å; F152-I156 HydrophobicContact CE1-CG2 3.71Å; F152-I156 HydrophobicContact CE2-CG2 3.74Å; F152-I156 HydrophobicContact CG-CG2 4.49Å; F152-I156 HydrophobicContact CZ-CG2 3.46Å; F152-I156 VanDerWaalsContact CZ-CG2 3.46Å; F152-I156 PolarHBondContact O-N 3.35Å
153R96.7Very high96Very high2 Ų231.4 Ų31.41%0.00815%0.147CC..Hα-helixtrans-55.1-39.5176.976.3165.9-160.8-167.215.1112.3F58 D61 F147 A149 F151 I156 M157F58-R153 VanDerWaalsContact CD1-NH1 3.27Å; F58-R153 VanDerWaalsContact CE1-NH1 3.34Å; F58-R153 HydrophobicContact CE2-CG 4.1Å; F58-R153 VanDerWaalsContact CZ-NH1 3.27Å; F58-R153 PolarHBondContact O-NH1 2.99Å; F58-R153 PolarHBondContact O-NH2 3.37Å; D61-R153 PolarHBondContact O-NH2 3.07Å; D61-R153 IonicContact OD2-CZ 3.47Å; D61-R153 IonicContact OD2-NH2 3.65Å; D61-R153 PolarHBondContact OD2-NH2 3.49Å; F147-R153 VanDerWaalsContact O-CB 3.3Å; F147-R153 WeakPolarHBondContact O-CB 3.5Å; F147-R153 VanDerWaalsContact O-CD 3.26Å; F147-R153 WeakPolarHBondContact O-CD 3.38Å; A149-R153 PolarHBondContact O-N 3.35Å; F151-R153 PolarHBondContact O-N 3.41Å; R153-I156 VanDerWaalsContact O-CG1 3.26Å; R153-I156 WeakPolarHBondContact O-CG1 3.14Å; R153-M157 HydrophobicContact CG-CE 4.2Å; R153-M157 WeakPolarHBondContact O-CB 3.33Å; R153-M157 WeakPolarHBondContact O-CE 3.36Å; R153-M157 VanDerWaalsContact O-CG 3.28Å; R153-M157 WeakPolarHBondContact O-CG 3.44Å; R153-M157 PolarHBondContact O-N 3.05Å
154D96.2Very high96.1Very high19 Ų1932.1 Ų32.110%0.10216%0.156CC..Hα-helixtrans-72.2-40.8-178.5-63.6-70.3000110.3Y54 R70 F151 F152 I156 M157 M158Y54-D154 WeakPolarHBondContact CE2-OD2 3.22Å; Y54-D154 PolarHBondContact OH-OD2 3.35Å; R70-D154 IonicContact CZ-OD1 2.71Å; R70-D154 IonicContact NH1-OD1 3.66Å; R70-D154 PolarHBondContact NH1-OD1 2.87Å; R70-D154 IonicContact NH2-OD1 2.66Å; F151-D154 PolarHBondContact O-N 3.07Å; F152-D154 PolarHBondContact O-N 2.95Å; D154-I156 PolarHBondContact O-N 2.87Å; D154-M157 PolarHBondContact O-N 3.49Å; D154-M158 WeakPolarHBondContact O-CG 3.42Å; D154-M158 PolarHBondContact O-N 3.23Å
155Y96.6Very high96.1Very high73 Ų7332.3 Ų32.329%0.28616%0.155SC..Hα-helixtrans-59-46.2174.7172.7-104.1000112.7Q23 S27 L31 F151 F152 M158Q23-Y155 PolarHBondContact NE2-OH 3.23Å; S27-Y155 PolarHBondContact OG-OH 3.46Å; L31-Y155 HydrophobicContact CD2-CD1 3.67Å; L31-Y155 HydrophobicContact CD2-CE1 3.78Å; L31-Y155 HydrophobicContact CD2-CG 4.18Å; F151-Y155 PolarHBondContact O-N 3.43Å; F152-Y155 HydrophobicContact CD2-CD1 4.15Å; F152-Y155 HydrophobicContact CE2-CD1 4.03Å; F152-Y155 HydrophobicContact CE2-CE1 4.5Å; F152-Y155 WeakPolarHBondContact O-CB 3.43Å; F152-Y155 PolarHBondContact O-N 3.03Å; F152-Y155 VanDerWaalsContact O-N 3.14Å; Y155-M158 PolarHBondContact O-N 3Å
156I97.1Very high96.3Very high6 Ų633.4 Ų33.43%0.03116%0.156CC..Hα-helixtrans-72.5-37.1179.863.7179.2000112.3M142 W146 F147 F152 R153 D154 M158 A159 L161M142-I156 HydrophobicContact SD-CD1 4.07Å; M142-I156 HydrophobicContact SD-CG2 4.46Å; W146-I156 HydrophobicContact CB-CD1 3.88Å; F147-I156 HydrophobicContact CD1-CD1 3.74Å; F147-I156 HydrophobicContact CD1-CG1 4.1Å; F147-I156 HydrophobicContact CD2-CD1 4.13Å; F147-I156 HydrophobicContact CE1-CD1 3.59Å; F147-I156 HydrophobicContact CE1-CG1 3.75Å; F147-I156 HydrophobicContact CE2-CD1 3.97Å; F147-I156 HydrophobicContact CG-CD1 4.03Å; F147-I156 HydrophobicContact CZ-CD1 3.7Å; F147-I156 HydrophobicContact CZ-CG1 4.18Å; F152-I156 HydrophobicContact CD1-CD1 4.29Å; F152-I156 HydrophobicContact CD1-CG2 4.21Å; F152-I156 HydrophobicContact CD2-CG2 4.26Å; F152-I156 HydrophobicContact CE1-CD1 4.14Å; F152-I156 HydrophobicContact CE1-CG2 3.71Å; F152-I156 HydrophobicContact CE2-CG2 3.74Å; F152-I156 HydrophobicContact CG-CG2 4.49Å; F152-I156 HydrophobicContact CZ-CG2 3.46Å; F152-I156 VanDerWaalsContact CZ-CG2 3.46Å; F152-I156 PolarHBondContact O-N 3.35Å; R153-I156 VanDerWaalsContact O-CG1 3.26Å; R153-I156 WeakPolarHBondContact O-CG1 3.14Å; D154-I156 PolarHBondContact O-N 2.87Å; I156-M158 VanDerWaalsContact C-N 3.25Å; I156-M158 PolarHBondContact O-N 3.28Å; I156-A159 WeakPolarHBondContact O-CB 3.48Å; I156-A159 PolarHBondContact O-N 3.36Å; I156-A159 VanDerWaalsContact O-N 3.09Å; I156-L161 HydrophobicContact CB-CB 4.26Å; I156-L161 HydrophobicContact CB-CD1 3.74Å; I156-L161 HydrophobicContact CG2-CD1 4.18Å; I156-L161 WeakPolarHBondContact O-CB 3.36Å; I156-L161 PolarHBondContact O-N 3.37Å
157M97.3Very high96.4Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-61.5-35.1174.2-80.6-169.7-67.200112.1T64 P65 R70 R71 F147 R153 D154 A159 G160T64-M157 HydrophobicContact CG2-SD 4.29Å; P65-M157 HydrophobicContact CB-SD 4.03Å; P65-M157 HydrophobicContact CG-CE 4.22Å; P65-M157 HydrophobicContact CG-SD 3.64Å; R70-M157 CarbonylContact C-O 3.28Å; R70-M157 VanDerWaalsContact NH2-CE 3.32Å; R71-M157 WeakPolarHBondContact CA-O 3.32Å; R71-M157 PolarHBondContact N-O 3.26Å; F147-M157 HydrophobicContact CD1-CG 4.06Å; F147-M157 HydrophobicContact CE1-CG 3.82Å; R153-M157 HydrophobicContact CG-CE 4.2Å; R153-M157 WeakPolarHBondContact O-CB 3.33Å; R153-M157 WeakPolarHBondContact O-CE 3.36Å; R153-M157 VanDerWaalsContact O-CG 3.28Å; R153-M157 WeakPolarHBondContact O-CG 3.44Å; R153-M157 PolarHBondContact O-N 3.05Å; D154-M157 PolarHBondContact O-N 3.49Å; M157-A159 PolarHBondContact O-N 2.99Å; M157-G160 WeakPolarHBondContact O-CA 3.35Å; M157-G160 PolarHBondContact O-N 3.35Å
158M96.4Very high96.5Very high64 Ų6436 Ų3632%0.31517%0.171SC..Hα-helixtrans-61.4-28.2175.8-74.6171.6-175.100113.1R70 F72 L75 D154 Y155 I156 G160R70-M158 WeakPolarHBondContact O-CA 3.2Å; F72-M158 HydrophobicContact CB-CB 4.03Å; F72-M158 HydrophobicContact CB-CG 3.92Å; F72-M158 PolarHBondContact N-O 2.93Å; L75-M158 HydrophobicContact CD1-CB 3.82Å; L75-M158 HydrophobicContact CD1-CG 4.12Å; L75-M158 HydrophobicContact CD1-SD 3.44Å; L75-M158 WeakPolarHBondContact CD1-SD 3.06Å; D154-M158 WeakPolarHBondContact O-CG 3.42Å; D154-M158 PolarHBondContact O-N 3.23Å; Y155-M158 PolarHBondContact O-N 3Å; I156-M158 VanDerWaalsContact C-N 3.25Å; I156-M158 PolarHBondContact O-N 3.28Å; M158-G160 VanDerWaalsContact C-N 3.26Å; M158-G160 PolarHBondContact O-N 3.32Å
159A95.4Very high96.6Very high15 Ų1528.3 Ų28.312%0.12414%0.143CC..THydrogen-bonded Turntrans-80.7-3.9172.700000113.2R71 F119 C123 I156 M157 L161R71-A159 PolarHBondContact NH2-O 3.28Å; R71-A159 VanDerWaalsContact NH2-O 3.08Å; F119-A159 HydrophobicContact CE2-CB 4.21Å; C123-A159 WeakPolarHBondContact CA-O 3.42Å; C123-A159 HydrophobicContact CB-CB 4.2Å; C123-A159 WeakPolarHBondContact CB-O 3.48Å; I156-A159 WeakPolarHBondContact O-CB 3.48Å; I156-A159 PolarHBondContact O-N 3.36Å; I156-A159 VanDerWaalsContact O-N 3.09Å; M157-A159 PolarHBondContact O-N 2.99Å; A159-L161 HydrophobicContact CB-CD1 4.25Å
160G95.5Very high96.7Very high0 Ų028.4 Ų28.40%014%0.143CC..THydrogen-bonded Turntrans74.929.5-173.500000114.1F139 L140 M157 M158F139-G160 WeakPolarHBondContact CA-O 3.43Å; L140-G160 PolarHBondContact N-O 3.37Å; M157-G160 WeakPolarHBondContact O-CA 3.35Å; M157-G160 PolarHBondContact O-N 3.35Å; M158-G160 VanDerWaalsContact C-N 3.26Å; M158-G160 PolarHBondContact O-N 3.32Å
161L97.8Very high96.8Very high13 Ų1333.3 Ų33.37%0.06816%0.16CC..EExtended strand (participates in β ladder)trans-79.5138.7164.9-67.1151.5000108.7F119 L140 M142 F147 I156 A159F119-L161 HydrophobicContact CE2-CD1 4.38Å; L140-L161 HydrophobicContact CB-CD2 3.88Å; L140-L161 HydrophobicContact CD2-CD2 3.89Å; L140-L161 HydrophobicContact CG-CD2 3.88Å; L140-L161 WeakPolarHBondContact O-CA 3.21Å; M142-L161 HydrophobicContact CB-CB 4.45Å; M142-L161 HydrophobicContact CB-CD2 3.99Å; M142-L161 HydrophobicContact SD-CB 4.48Å; M142-L161 HydrophobicContact SD-CD1 3.98Å; M142-L161 HydrophobicContact SD-CD2 4.16Å; M142-L161 HydrophobicContact SD-CG 4.45Å; F147-L161 WeakPolarHBondContact CE1-O 3.32Å; F147-L161 HydrophobicContact CZ-CB 4.1Å; I156-L161 HydrophobicContact CB-CB 4.26Å; I156-L161 HydrophobicContact CB-CD1 3.74Å; I156-L161 HydrophobicContact CG2-CD1 4.18Å; I156-L161 WeakPolarHBondContact O-CB 3.36Å; I156-L161 PolarHBondContact O-N 3.37Å; A159-L161 HydrophobicContact CB-CD1 4.25Å
162I97.9Very high96.8Very high0 Ų031.3 Ų31.30%015%0.152CC..EExtended strand (participates in β ladder)trans-128.9158.7173.663.7172.4000110.2F139 L140 L141 M142 F147 V172F139-I162 HydrophobicContact CB-CD1 3.86Å; F139-I162 HydrophobicContact CB-CG1 4.23Å; F139-I162 HydrophobicContact CD1-CG2 4.05Å; L140-I162 PolarHBondContact O-N 3.37Å; L141-I162 WeakPolarHBondContact CA-O 3.42Å; L141-I162 HydrophobicContact CD2-CD1 3.59Å; L141-I162 HydrophobicContact CD2-CG1 3.43Å; L141-I162 VanDerWaalsContact CD2-CG1 3.43Å; M142-I162 PolarHBondContact N-O 3.42Å; F147-I162 VanDerWaalsContact CE2-C 3.5Å; F147-I162 VanDerWaalsContact CZ-CA 3.48Å; I162-V172 HydrophobicContact CD1-CG2 3.85Å
163P97.5Very high96.8Very high4 Ų431.3 Ų31.33%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-58.4144.8176.3-23.333.9000112.1P65 M142 P144 F147 D165 S168P65-P163 VanDerWaalsContact C-CD 3.48Å; P65-P163 HydrophobicContact CB-CG 3.66Å; P65-P163 WeakPolarHBondContact O-CD 3.36Å; M142-P163 CarbonylContact O-C 3.56Å; M142-P163 WeakPolarHBondContact O-CA 3.27Å; P144-P163 HydrophobicContact CB-CB 4.19Å; P144-P163 HydrophobicContact CG-CB 4.14Å; F147-P163 HydrophobicContact CB-CG 4.38Å; F147-P163 HydrophobicContact CD1-CG 4.26Å; F147-P163 HydrophobicContact CD2-CB 4.12Å; F147-P163 HydrophobicContact CD2-CG 3.67Å; F147-P163 HydrophobicContact CE1-CG 4.47Å; F147-P163 HydrophobicContact CE2-CB 4.24Å; F147-P163 HydrophobicContact CE2-CG 3.94Å; F147-P163 HydrophobicContact CG-CG 3.84Å; F147-P163 HydrophobicContact CZ-CG 4.33Å; P163-D165 WeakPolarHBondContact CB-OD2 3.41Å; P163-D165 PolarHBondContact O-N 3.3Å; P163-S168 WeakPolarHBondContact CB-OG 3.43Å; P163-S168 VanDerWaalsContact O-CB 3.24Å; P163-S168 WeakPolarHBondContact O-CB 3.34Å
164S95.6Very high96.8Very high58 Ų5839.1 Ų39.141%0.40618%0.182SC..  trans-83.213.1-178.473.20000114.5M142 P144M142-S164 WeakPolarHBondContact O-CB 3.35Å; M142-S164 PolarHBondContact O-N 3.01Å; P144-S164 WeakPolarHBondContact CD-OG 3.4Å
165D94.3Very high96.6Very high43 Ų4344.2 Ų44.223%0.2320%0.199CC..SBendtrans-76159.7173.556.770.6000112.1P163 E167 S168 A169P163-D165 WeakPolarHBondContact CB-OD2 3.41Å; P163-D165 PolarHBondContact O-N 3.3Å; D165-E167 VanDerWaalsContact C-N 3.26Å; D165-E167 PolarHBondContact O-N 3.48Å; D165-E167 PolarHBondContact OD1-N 3Å; D165-S168 VanDerWaalsContact CG-OG 3.24Å; D165-S168 PolarHBondContact O-N 2.56Å; D165-S168 VanDerWaalsContact OD1-CB 3.23Å; D165-S168 WeakPolarHBondContact OD1-CB 3.48Å; D165-S168 PolarHBondContact OD1-N 3.26Å; D165-S168 PolarHBondContact OD1-OG 2.58Å; D165-S168 PolarHBondContact OD2-OG 2.96Å; D165-A169 PolarHBondContact O-N 2.86Å
166K95.7Very high96.4Very high100 Ų10049.4 Ų49.444%0.43523%0.226SC..Hα-helixtrans-62.6-38.5-174.4-179178.9177.8174.50110.8S170 L213 E216K166-S170 WeakPolarHBondContact O-CB 3.2Å; K166-S170 PolarHBondContact O-N 3.28Å; K166-S170 PolarHBondContact O-OG 2.94Å; K166-L213 HydrophobicContact CG-CD1 4.2Å; K166-E216 WeakPolarHBondContact CE-OE2 3.37Å; K166-E216 IonicContact NZ-OE1 2.52Å; K166-E216 PolarHBondContact NZ-OE1 3.47Å; K166-E216 IonicContact NZ-OE2 3.88Å; K166-E216 PolarHBondContact NZ-OE2 3.49Å
167E96.8Very high96.1Very high126 Ų12652 Ų5259%0.58926%0.255SS*.Hα-helixtrans-62.8-46.4-176.8-66.571-158.600110.9D165 S170 Y171D165-E167 VanDerWaalsContact C-N 3.26Å; D165-E167 PolarHBondContact O-N 3.48Å; D165-E167 PolarHBondContact OD1-N 3Å; E167-S170 PolarHBondContact O-N 3.32Å; E167-Y171 WeakPolarHBondContact O-CB 3.36Å; E167-Y171 PolarHBondContact O-N 2.89Å
168S97.5Very high96Very high0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-62.7-49.2179.5-58.10000112.2S66 P163 D165 Y171 V172S66-S168 WeakPolarHBondContact CA-OG 3.43Å; S66-S168 WeakPolarHBondContact CB-OG 3.42Å; S66-S168 WeakPolarHBondContact O-CA 3.45Å; S66-S168 PolarHBondContact OG-OG 3.26Å; P163-S168 WeakPolarHBondContact CB-OG 3.43Å; P163-S168 VanDerWaalsContact O-CB 3.24Å; P163-S168 WeakPolarHBondContact O-CB 3.34Å; D165-S168 VanDerWaalsContact CG-OG 3.24Å; D165-S168 PolarHBondContact O-N 2.56Å; D165-S168 VanDerWaalsContact OD1-CB 3.23Å; D165-S168 WeakPolarHBondContact OD1-CB 3.48Å; D165-S168 PolarHBondContact OD1-N 3.26Å; D165-S168 PolarHBondContact OD1-OG 2.58Å; D165-S168 PolarHBondContact OD2-OG 2.96Å; S168-Y171 PolarHBondContact O-N 3.24Å; S168-V172 PolarHBondContact O-N 3.15Å
169A98Very high96Very high2 Ų249.4 Ų49.42%0.01724%0.244CC..Hα-helixtrans-65-41.3176.900000111.4L141 D165 Y171 V172 L173 V182 L213L141-A169 HydrophobicContact CD1-CB 4.35Å; L141-A169 HydrophobicContact CD2-CB 4.36Å; D165-A169 PolarHBondContact O-N 2.86Å; A169-Y171 VanDerWaalsContact C-N 3.34Å; A169-Y171 PolarHBondContact O-N 3.49Å; A169-V172 PolarHBondContact O-N 3.28Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.02Å; A169-L173 PolarHBondContact O-N 3.22Å; A169-V182 HydrophobicContact CB-CG1 4.24Å; A169-L213 HydrophobicContact CB-CD2 3.63Å
170S98Very high96.2Very high8 Ų849.1 Ų49.16%0.05624%0.241CC..Hα-helixtrans-60.2-41.7176-66.40000112.4K166 E167 V172 L173 R174 L213 H217K166-S170 WeakPolarHBondContact O-CB 3.2Å; K166-S170 PolarHBondContact O-N 3.28Å; K166-S170 PolarHBondContact O-OG 2.94Å; E167-S170 PolarHBondContact O-N 3.32Å; S170-V172 VanDerWaalsContact C-N 3.31Å; S170-V172 PolarHBondContact O-N 2.97Å; S170-L173 PolarHBondContact O-N 3.39Å; S170-R174 WeakPolarHBondContact O-CG 3.24Å; S170-R174 PolarHBondContact O-N 3.29Å; S170-L213 WeakPolarHBondContact OG-CD1 3.39Å; S170-H217 WeakPolarHBondContact CA-NE2 3.07Å; S170-H217 VanDerWaalsContact CB-NE2 3.27Å; S170-H217 WeakPolarHBondContact CB-NE2 3.5Å; S170-H217 PolarHBondContact OG-NE2 2.84Å
171Y97.9Very high96.3Very high118 Ų11849.1 Ų49.146%0.46324%0.241SC..Hα-helixtrans-57.9-46.5178.6-179.2-87.2000111.2S66 K67 E167 S168 A169 R174S66-Y171 WeakPolarHBondContact O-CB 3.1Å; K67-Y171 VanDerWaalsContact CA-CD1 3.42Å; K67-Y171 HydrophobicContact CB-CD1 4.18Å; K67-Y171 HydrophobicContact CB-CD2 4.34Å; K67-Y171 HydrophobicContact CB-CE1 3.85Å; K67-Y171 HydrophobicContact CB-CE2 4.02Å; K67-Y171 HydrophobicContact CB-CG 4.41Å; K67-Y171 HydrophobicContact CD-CE2 4.45Å; K67-Y171 HydrophobicContact CG-CD2 4.01Å; K67-Y171 HydrophobicContact CG-CE2 3.85Å; K67-Y171 HydrophobicContact CG-CG 4.42Å; K67-Y171 WeakPolarHBondContact O-CE1 3.16Å; E167-Y171 WeakPolarHBondContact O-CB 3.36Å; E167-Y171 PolarHBondContact O-N 2.89Å; S168-Y171 PolarHBondContact O-N 3.24Å; A169-Y171 VanDerWaalsContact C-N 3.34Å; A169-Y171 PolarHBondContact O-N 3.49Å; Y171-R174 PolarHBondContact O-N 3.26Å
172V97.6Very high96.4Very high4 Ų448.5 Ų48.52%0.02424%0.237CC..Hα-helixtrans-66.2-41.6178.8173.20000111.3F139 I162 S168 A169 S170 R174 R175 N180 V182F139-V172 HydrophobicContact CD1-CG2 4.29Å; F139-V172 HydrophobicContact CD2-CG1 3.49Å; F139-V172 VanDerWaalsContact CD2-CG1 3.49Å; F139-V172 HydrophobicContact CE2-CG1 3.74Å; F139-V172 HydrophobicContact CG-CG1 3.96Å; F139-V172 HydrophobicContact CG-CG2 4.32Å; F139-V172 HydrophobicContact CZ-CG1 4.39Å; I162-V172 HydrophobicContact CD1-CG2 3.85Å; S168-V172 PolarHBondContact O-N 3.15Å; A169-V172 PolarHBondContact O-N 3.28Å; S170-V172 VanDerWaalsContact C-N 3.31Å; S170-V172 PolarHBondContact O-N 2.97Å; V172-R174 VanDerWaalsContact C-N 3.28Å; V172-R174 PolarHBondContact O-N 3.02Å; V172-R175 PolarHBondContact O-N 2.87Å; V172-N180 HydrophobicContact CG1-CB 3.63Å; V172-N180 WeakPolarHBondContact CG1-ND2 3.19Å; V172-N180 PolarHBondContact O-ND2 3.1Å; V172-V182 HydrophobicContact CB-CG2 4.08Å; V172-V182 HydrophobicContact CG1-CG2 3.71Å
173L97.9Very high96.4Very high3 Ų348.5 Ų48.52%0.01624%0.237CC..Hα-helixtrans-73.7-15.7-178.2-65.2172.7000114.1N103 I105 A169 S170 R175 V182 L213 H217 A219N103-L173 HydrophobicContact CB-CD2 4.01Å; N103-L173 PolarHBondContact ND2-O 3.39Å; I105-L173 HydrophobicContact CD1-CD1 3.68Å; I105-L173 HydrophobicContact CG1-CD1 3.81Å; I105-L173 HydrophobicContact CG1-CD2 4.14Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.02Å; A169-L173 PolarHBondContact O-N 3.22Å; S170-L173 PolarHBondContact O-N 3.39Å; L173-R175 VanDerWaalsContact C-N 3.25Å; L173-R175 PolarHBondContact O-N 3Å; L173-V182 HydrophobicContact CD1-CG2 4.46Å; L173-V182 HydrophobicContact CD2-CB 4.32Å; L173-V182 HydrophobicContact CD2-CG2 3.75Å; L173-V182 HydrophobicContact CG-CG2 3.87Å; L173-L213 HydrophobicContact CD1-CD1 4.46Å; L173-L213 HydrophobicContact CD1-CD2 3.99Å; L173-L213 HydrophobicContact CD1-CG 3.9Å; L173-H217 HydrophobicContact CB-CB 3.84Å; L173-A219 HydrophobicContact CD1-CB 4.33Å; L173-A219 HydrophobicContact CD2-CB 3.77Å; L173-A219 HydrophobicContact CG-CB 4.49Å
174R95.6Very high96.4Very high166 Ų16649.4 Ų49.463%0.62624%0.242SC*.THydrogen-bonded Turntrans-74.6-9175.2-78169.8-174.6-171.85.5114.4S170 Y171 V172 Q176S170-R174 WeakPolarHBondContact O-CG 3.24Å; S170-R174 PolarHBondContact O-N 3.29Å; Y171-R174 PolarHBondContact O-N 3.26Å; V172-R174 VanDerWaalsContact C-N 3.28Å; V172-R174 PolarHBondContact O-N 3.02Å; R174-Q176 PolarHBondContact O-N 3.32Å; R174-Q176 VanDerWaalsContact O-N 3.1Å
175R93.3Very high96.5Very high125 Ų12547.5 Ų47.547%0.47223%0.229SC..  trans-57.5116.7-177.5-177.8176.8179.9176.51.4110.7N103 V172 L173 G178 N180N103-R175 PolarHBondContact ND2-O 2.97Å; V172-R175 PolarHBondContact O-N 2.87Å; L173-R175 VanDerWaalsContact C-N 3.25Å; L173-R175 PolarHBondContact O-N 3Å; R175-G178 VanDerWaalsContact CD-O 3.27Å; R175-G178 WeakPolarHBondContact CD-O 3.16Å; R175-G178 PolarHBondContact NE-O 2.88Å; R175-G178 PolarHBondContact O-N 2.97Å; R175-N180 WeakPolarHBondContact CB-ND2 3.47Å; R175-N180 WeakPolarHBondContact CD-ND2 3.22Å; R175-N180 WeakPolarHBondContact CD-OD1 3.47Å; R175-N180 PolarHBondContact NH1-OD1 3.3Å
176Q91.1Very high96.6Very high182 Ų18246.1 Ų46.185%0.8522%0.222SC*.THydrogen-bonded Turntrans-67.5138.2173.9-63.3-62.9-33.500109.9R174 G178R174-Q176 PolarHBondContact O-N 3.32Å; R174-Q176 VanDerWaalsContact O-N 3.1Å; Q176-G178 VanDerWaalsContact C-N 3.34Å
177G91Very high96.4Very high62 Ų6241.3 Ų41.364%0.63920%0.202SC*.THydrogen-bonded Turntrans82.94.4-176.200000115.1G101G101-G177 CarbonylContact C-O 3.57Å; G101-G177 WeakPolarHBondContact CA-O 3.22Å
178G95.7Very high96.1Very high5 Ų536.3 Ų36.35%0.05218%0.183CC..  trans76.1-153.5174.100000114.3P100 K102 N103 R175 Q176P100-G178 CarbonylContact O-C 3.46Å; K102-G178 WeakPolarHBondContact O-CA 3.42Å; N103-G178 VanDerWaalsContact OD1-CA 3.22Å; N103-G178 WeakPolarHBondContact OD1-CA 3.23Å; R175-G178 VanDerWaalsContact CD-O 3.27Å; R175-G178 WeakPolarHBondContact CD-O 3.16Å; R175-G178 PolarHBondContact NE-O 2.88Å; R175-G178 PolarHBondContact O-N 2.97Å; Q176-G178 VanDerWaalsContact C-N 3.34Å
179G96.9Very high95.6Very high4 Ų437.4 Ų37.44%0.04119%0.193CC..  trans94.11.8171.700000114.1P100 K102 N103 L136 D137P100-G179 WeakPolarHBondContact O-CA 3.45Å; P100-G179 PolarHBondContact O-N 3.45Å; K102-G179 PolarHBondContact O-N 3.18Å; N103-G179 PolarHBondContact OD1-N 3.11Å; L136-G179 CarbonylContact C-O 3.44Å; L136-G179 WeakPolarHBondContact CA-O 3.49Å; D137-G179 PolarHBondContact N-O 3.46Å
180N98.1Very high95.3Very high8 Ų838.7 Ų38.74%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-114.4137-179.7-65.2-14.8000112N103 Y104 D137 F139 V172 R175N103-N180 CarbonylContact C-O 3.54Å; N103-N180 VanDerWaalsContact CA-O 3.28Å; N103-N180 WeakPolarHBondContact CA-O 3.18Å; N103-N180 WeakPolarHBondContact OD1-CB 3.44Å; N103-N180 PolarHBondContact OD1-N 3.41Å; N103-N180 VanDerWaalsContact OD1-N 3.09Å; Y104-N180 PolarHBondContact N-O 2.72Å; D137-N180 CarbonylContact O-C 3.56Å; D137-N180 WeakPolarHBondContact O-CA 3.26Å; F139-N180 HydrophobicContact CD2-CB 4.44Å; F139-N180 HydrophobicContact CE2-CB 4.11Å; V172-N180 HydrophobicContact CG1-CB 3.63Å; V172-N180 WeakPolarHBondContact CG1-ND2 3.19Å; V172-N180 PolarHBondContact O-ND2 3.1Å; R175-N180 WeakPolarHBondContact CB-ND2 3.47Å; R175-N180 WeakPolarHBondContact CD-ND2 3.22Å; R175-N180 WeakPolarHBondContact CD-OD1 3.47Å; R175-N180 PolarHBondContact NH1-OD1 3.3Å
181A98.4Very high95Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-122.6101.1175.400000109.5Y104 L106 F129 L136 D137 S138 F139Y104-A181 CarbonylContact O-C 3.55Å; Y104-A181 WeakPolarHBondContact O-CA 3.35Å; L106-A181 HydrophobicContact CD1-CB 3.81Å; L106-A181 HydrophobicContact CD2-CB 4.44Å; F129-A181 HydrophobicContact CZ-CB 4.42Å; L136-A181 HydrophobicContact CD1-CB 4.49Å; D137-A181 PolarHBondContact O-N 3.42Å; S138-A181 CarbonylContact C-O 3.59Å; S138-A181 VanDerWaalsContact CA-O 3.25Å; S138-A181 WeakPolarHBondContact CA-O 3.15Å; F139-A181 PolarHBondContact N-O 3.01Å
182V98.6Very high94.7Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-78.3125.3173.4175.80000108.5Y104 I105 L106 F139 L141 A169 V172 L173 I184Y104-V182 PolarHBondContact O-N 3.14Å; I105-V182 CarbonylContact C-O 3.53Å; I105-V182 WeakPolarHBondContact CA-O 3.47Å; L106-V182 PolarHBondContact N-O 2.86Å; F139-V182 WeakPolarHBondContact O-CA 3.44Å; L141-V182 HydrophobicContact CD1-CG1 4.09Å; L141-V182 HydrophobicContact CD2-CG1 3.77Å; L141-V182 HydrophobicContact CG-CG1 3.86Å; A169-V182 HydrophobicContact CB-CG1 4.24Å; V172-V182 HydrophobicContact CB-CG2 4.08Å; V172-V182 HydrophobicContact CG1-CG2 3.71Å; L173-V182 HydrophobicContact CD1-CG2 4.46Å; L173-V182 HydrophobicContact CD2-CB 4.32Å; L173-V182 HydrophobicContact CD2-CG2 3.75Å; L173-V182 HydrophobicContact CG-CG2 3.87Å; V182-I184 HydrophobicContact CG1-CD1 4.19Å; V182-I184 HydrophobicContact CG1-CG1 3.9Å
183V98.8Very high94.4Very high0 Ų032.9 Ų32.90%018%0.177CC..EExtended strand (participates in β ladder)trans-105124.1-179.5-171.50000109.3L106 F108 F122 F139 L140 L141L106-V183 HydrophobicContact CB-CB 4.48Å; L106-V183 HydrophobicContact CB-CG1 4.36Å; L106-V183 HydrophobicContact CB-CG2 4.14Å; L106-V183 HydrophobicContact CD2-CG2 4.17Å; L106-V183 WeakPolarHBondContact O-CA 3.4Å; F108-V183 HydrophobicContact CB-CG1 4.13Å; F122-V183 HydrophobicContact CB-CG2 3.9Å; F122-V183 HydrophobicContact CD1-CG2 3.97Å; F122-V183 HydrophobicContact CD2-CB 4.48Å; F122-V183 HydrophobicContact CD2-CG1 3.71Å; F122-V183 HydrophobicContact CD2-CG2 4.18Å; F122-V183 HydrophobicContact CE2-CG1 4.03Å; F122-V183 HydrophobicContact CG-CB 4.47Å; F122-V183 HydrophobicContact CG-CG1 4.16Å; F122-V183 HydrophobicContact CG-CG2 3.75Å; F139-V183 PolarHBondContact O-N 3.32Å; L140-V183 HydrophobicContact CD1-CB 3.8Å; L140-V183 HydrophobicContact CD1-CG1 3.71Å; L141-V183 PolarHBondContact N-O 3.48Å
184I98.1Very high94.1Very high24 Ų2435.7 Ų35.712%0.12319%0.192CC..EExtended strand (participates in β ladder)trans-125.2118.3-175.4-48.5-171.3000108.8I105 L106 G107 F108 L141 V182 V186 F210I105-I184 HydrophobicContact CG2-CD1 3.67Å; I105-I184 HydrophobicContact CG2-CG1 4.02Å; L106-I184 PolarHBondContact O-N 2.58Å; G107-I184 CarbonylContact C-O 3.45Å; F108-I184 PolarHBondContact N-O 2.96Å; L141-I184 HydrophobicContact CD1-CB 4.39Å; L141-I184 HydrophobicContact CD1-CD1 3.74Å; L141-I184 HydrophobicContact CD1-CG1 3.57Å; L141-I184 HydrophobicContact CD1-CG2 4.29Å; L141-I184 HydrophobicContact CG-CG1 4.04Å; V182-I184 HydrophobicContact CG1-CD1 4.19Å; V182-I184 HydrophobicContact CG1-CG1 3.9Å; I184-V186 HydrophobicContact CG2-CG2 4.44Å; I184-V186 PolarHBondContact O-N 3.43Å; I184-V186 VanDerWaalsContact O-N 3.09Å; I184-F210 HydrophobicContact CD1-CB 4.08Å
185A97.3Very high94Very high17 Ų1727.9 Ų27.914%0.1416%0.163CC..EExtended strand (participates in β ladder)trans-75.893.7165.300000108.5F108 H111 V115 G187 G188F108-A185 HydrophobicContact CD1-CB 4.31Å; F108-A185 WeakPolarHBondContact O-CA 3.18Å; H111-A185 HydrophobicContact CB-CB 4.17Å; H111-A185 WeakPolarHBondContact CD2-CB 3.34Å; V115-A185 HydrophobicContact CG1-CB 4.3Å; A185-G187 PolarHBondContact O-N 2.79Å; A185-G188 WeakPolarHBondContact O-CA 3.38Å; A185-G188 PolarHBondContact O-N 3.27Å
186V96.3Very high94Very high14 Ų1424.5 Ų24.59%0.08515%0.15CC..THydrogen-bonded Turntrans-64.2-37.9-159.8-179.30000112.8F108 H109 I184 G188 L204 K207 F210F108-V186 PolarHBondContact O-N 3Å; H109-V186 VanDerWaalsContact CE1-CB 3.48Å; H109-V186 WeakPolarHBondContact CE1-CB 3.34Å; I184-V186 HydrophobicContact CG2-CG2 4.44Å; I184-V186 PolarHBondContact O-N 3.43Å; I184-V186 VanDerWaalsContact O-N 3.09Å; V186-G188 PolarHBondContact O-N 3.44Å; V186-L204 HydrophobicContact CG1-CD1 3.76Å; V186-K207 HydrophobicContact CG1-CB 3.87Å; V186-K207 HydrophobicContact CG1-CG 4.42Å; V186-F210 HydrophobicContact CG1-CD1 3.65Å; V186-F210 HydrophobicContact CG1-CE1 3.65Å; V186-F210 HydrophobicContact CG2-CD1 4.29Å; V186-F210 HydrophobicContact CG2-CE1 4.38Å; V186-F210 HydrophobicContact CG2-CG 4.49Å
187G91.1Very high94.2Very high0 Ų018.2 Ų18.20%013%0.125CC..THydrogen-bonded Turntrans-64.4-23.1176.100000113.5A185 P190 E191 L203A185-G187 PolarHBondContact O-N 2.79Å; G187-P190 VanDerWaalsContact O-CD 3.27Å; G187-P190 WeakPolarHBondContact O-CD 3.41Å; G187-E191 PolarHBondContact O-N 3.03Å; G187-L203 WeakPolarHBondContact CA-O 3.39Å; G187-L203 WeakPolarHBondContact O-CD2 3.44Å
188G91.1Very high94.3Very high20 Ų2017 Ų1721%0.20611%0.112CC..Hα-helixtrans60.4-159.1174.500000114.2H111 A185 V186 P190 E191 A192H111-G188 VanDerWaalsContact CD2-C 3.49Å; H111-G188 VanDerWaalsContact CD2-CA 3.48Å; H111-G188 WeakPolarHBondContact CD2-CA 3.43Å; H111-G188 PolarHBondContact CD2-O 2.97Å; A185-G188 WeakPolarHBondContact O-CA 3.38Å; A185-G188 PolarHBondContact O-N 3.27Å; V186-G188 PolarHBondContact O-N 3.44Å; G188-P190 VanDerWaalsContact C-N 3.3Å; G188-E191 PolarHBondContact O-N 3.05Å; G188-A192 PolarHBondContact O-N 3.26Å
189A87.3Confident94.1Very high23 Ų2318 Ų1819%0.1912%0.12CC..Hα-helixtrans-49.4-40.2175.500000114.6E191 A192 S258A189-E191 PolarHBondContact O-N 2.91Å; A189-A192 WeakPolarHBondContact O-CB 3.31Å; A189-A192 PolarHBondContact O-N 3.43Å; A189-S258 WeakPolarHBondContact CA-OG 3.32Å; A189-S258 WeakPolarHBondContact CB-OG 3.19Å; A189-S258 WeakPolarHBondContact O-CB 3.38Å; A189-S258 PolarHBondContact O-OG 2.74Å; A189-S258 VanDerWaalsContact O-OG 3.08Å
190P90.5Very high93.9Very high30 Ų3019.3 Ų19.320%0.19513%0.125CC..Hα-helixtrans-67.3-37.8-177.812.2000112.6G187 G188 A192 L193 L203G187-P190 VanDerWaalsContact O-CD 3.27Å; G187-P190 WeakPolarHBondContact O-CD 3.41Å; G188-P190 VanDerWaalsContact C-N 3.3Å; P190-A192 VanDerWaalsContact C-N 3.28Å; P190-A192 PolarHBondContact O-N 3.33Å; P190-L193 WeakPolarHBondContact O-CB 3.41Å; P190-L193 PolarHBondContact O-N 3.04Å; P190-L203 HydrophobicContact CB-CD2 3.75Å; P190-L203 HydrophobicContact CG-CD2 3.72Å
191E93.4Very high93.7Very high7 Ų722.3 Ų22.33%0.03314%0.144CC..Hα-helixtrans-65.6-31.9176.7-174.2171.8-10500112.3H111 G187 G188 A189 L193 D194 A195 I202 L203H111-E191 HydrophobicContact CB-CB 4.22Å; H111-E191 HydrophobicContact CB-CG 4.22Å; H111-E191 WeakPolarHBondContact CB-OE2 3.23Å; H111-E191 PolarHBondContact N-OE2 2.97Å; G187-E191 PolarHBondContact O-N 3.03Å; G188-E191 PolarHBondContact O-N 3.05Å; A189-E191 PolarHBondContact O-N 2.91Å; E191-L193 PolarHBondContact O-N 2.81Å; E191-D194 CarbonylContact O-C 3.52Å; E191-D194 PolarHBondContact O-N 2.77Å; E191-A195 PolarHBondContact O-N 3.03Å; E191-A195 VanDerWaalsContact O-N 3.08Å; E191-I202 VanDerWaalsContact OE1-CA 3.22Å; E191-I202 WeakPolarHBondContact OE1-CA 3.32Å; E191-I202 WeakPolarHBondContact OE1-CG2 3.16Å; E191-L203 HydrophobicContact CB-CB 4.07Å; E191-L203 HydrophobicContact CG-CB 4.44Å; E191-L203 PolarHBondContact OE1-N 3.4Å
192A91.4Very high93.5Very high1 Ų122.4 Ų22.41%0.00814%0.144CC..Hα-helixtrans-60.8-29.4175.600000113.1G112 G188 A189 P190 D194 Q235G112-A192 WeakPolarHBondContact O-CA 3.24Å; G112-A192 WeakPolarHBondContact O-CB 3.25Å; G188-A192 PolarHBondContact O-N 3.26Å; A189-A192 WeakPolarHBondContact O-CB 3.31Å; A189-A192 PolarHBondContact O-N 3.43Å; P190-A192 VanDerWaalsContact C-N 3.28Å; P190-A192 PolarHBondContact O-N 3.33Å; A192-D194 PolarHBondContact O-N 3.14Å; A192-Q235 PolarHBondContact O-NE2 3.46Å
193L91.2Very high93.3Very high0 Ų023.5 Ų23.50%015%0.15CC..THydrogen-bonded Turntrans-70.8-20.8175.9-63.3175.7000113P190 E191 R196 Q235 N238 R245 Q248 P260P190-L193 WeakPolarHBondContact O-CB 3.41Å; P190-L193 PolarHBondContact O-N 3.04Å; E191-L193 PolarHBondContact O-N 2.81Å; L193-R196 PolarHBondContact O-NH1 2.82Å; L193-Q235 PolarHBondContact O-OE1 3.19Å; L193-N238 PolarHBondContact O-ND2 3.27Å; L193-N238 VanDerWaalsContact O-ND2 3.1Å; L193-R245 VanDerWaalsContact CB-NH1 3.32Å; L193-Q248 HydrophobicContact CD1-CB 4.07Å; L193-Q248 HydrophobicContact CD2-CB 4.12Å; L193-Q248 HydrophobicContact CD2-CG 4.27Å; L193-P260 HydrophobicContact CD2-CB 4.3Å
194D91.7Very high93.2Very high62 Ų6223.5 Ų23.533%0.33215%0.15SC..THydrogen-bonded Turntrans-108.71.4-176.3-63.2-48.1000112.2E191 A192 R196 R245E191-D194 CarbonylContact O-C 3.52Å; E191-D194 PolarHBondContact O-N 2.77Å; A192-D194 PolarHBondContact O-N 3.14Å; D194-R196 PolarHBondContact O-N 2.87Å; D194-R245 IonicContact OD1-CZ 3.58Å; D194-R245 IonicContact OD1-NH1 2.72Å; D194-R245 PolarHBondContact OD1-NH1 3.32Å; D194-R245 IonicContact OD1-NH2 3.65Å; D194-R245 IonicContact OD2-CZ 3.53Å; D194-R245 IonicContact OD2-NH1 2.9Å; D194-R245 PolarHBondContact OD2-NH1 3.43Å; D194-R245 IonicContact OD2-NH2 3.89Å; D194-R245 PolarHBondContact OD2-NH2 3.49Å
195A92.9Very high93Very high2 Ų224.1 Ų24.12%0.01716%0.159CC..  trans-64.9106.3177.400000111.5V113 E191 N230 Q235V113-A195 HydrophobicContact CG2-CB 4.05Å; E191-A195 PolarHBondContact O-N 3.03Å; E191-A195 VanDerWaalsContact O-N 3.08Å; A195-N230 WeakPolarHBondContact CB-OD1 3.34Å; A195-Q235 PolarHBondContact O-NE2 3Å
196R93.2Very high92.7Very high53 Ų5329.7 Ų29.720%0.219%0.186CC..  trans-131.4143.4-177.8-65.1-61.7-173.5-76.26.6111.1L193 D194 G198 A199 N230 Q235 V236 N238L193-R196 PolarHBondContact O-NH1 2.82Å; D194-R196 PolarHBondContact O-N 2.87Å; R196-G198 PolarHBondContact O-N 2.52Å; R196-A199 HydrophobicContact CB-CB 4.07Å; R196-A199 WeakPolarHBondContact O-CB 3.47Å; R196-A199 PolarHBondContact O-N 2.71Å; R196-N230 WeakPolarHBondContact O-CB 3.3Å; R196-Q235 VanDerWaalsContact NH1-CB 3.3Å; R196-V236 PolarHBondContact NH2-O 2.87Å; R196-N238 PolarHBondContact NH2-OD1 3.29Å
197P94.4Very high92.6Very high51 Ų5132.5 Ų32.533%0.33120%0.197SC..THydrogen-bonded Turntrans-52.4136.2171.4-27.336000111.6A199 E231 F233P197-A199 PolarHBondContact O-N 3.37Å; P197-E231 VanDerWaalsContact CA-OE1 3.32Å; P197-E231 WeakPolarHBondContact CA-OE1 3.48Å; P197-F233 WeakPolarHBondContact CD-O 3.43Å
198G92.8Very high92.8Very high35 Ų3535.1 Ų35.136%0.36121%0.208SC..THydrogen-bonded Turntrans74-0.7-176.500000115.4R196 F200 E231 Q330R196-G198 PolarHBondContact O-N 2.52Å; G198-F200 VanDerWaalsContact O-CD2 3.23Å; G198-F200 WeakPolarHBondContact O-CD2 3.49Å; G198-F200 WeakPolarHBondContact O-CE2 3.42Å; G198-E231 PolarHBondContact N-OE1 2.99Å; G198-Q330 PolarHBondContact O-NE2 3.4Å; G198-Q330 VanDerWaalsContact O-NE2 3.1Å
199A91.9Very high93.1Very high27 Ų2736.9 Ų36.922%0.22323%0.227CC..  trans-84.3130.2179.300000112.1R196 P197 N230R196-A199 HydrophobicContact CB-CB 4.07Å; R196-A199 WeakPolarHBondContact O-CB 3.47Å; R196-A199 PolarHBondContact O-N 2.71Å; P197-A199 PolarHBondContact O-N 3.37Å; A199-N230 PolarHBondContact O-ND2 3.4Å
200F94.2Very high93.6Very high32 Ų3236.4 Ų36.414%0.1422%0.22CC..  trans-121.223.1174.8-62.3-83.7000112G198 F225 F317 V326 Q330 L332 S333G198-F200 VanDerWaalsContact O-CD2 3.23Å; G198-F200 WeakPolarHBondContact O-CD2 3.49Å; G198-F200 WeakPolarHBondContact O-CE2 3.42Å; F200-F225 AromaticContact CD1-CZ 3.87Å; F200-F225 HydrophobicContact CD1-CZ 3.87Å; F200-F225 HydrophobicContact CE1-CE1 4.46Å; F200-F225 HydrophobicContact CE1-CZ 4.2Å; F200-F317 HydrophobicContact CD1-CD2 4.41Å; F200-F317 AromaticContact CD1-CE2 3.32Å; F200-F317 HydrophobicContact CD1-CE2 3.32Å; F200-F317 AromaticContact CD1-CZ 3.66Å; F200-F317 HydrophobicContact CD1-CZ 3.66Å; F200-F317 AromaticContact CE1-CE2 3.58Å; F200-F317 HydrophobicContact CE1-CE2 3.58Å; F200-F317 HydrophobicContact CE1-CZ 4.04Å; F200-F317 HydrophobicContact CG-CE2 4.18Å; F200-F317 HydrophobicContact CG-CZ 4.07Å; F200-V326 HydrophobicContact CE1-CG2 4.01Å; F200-V326 HydrophobicContact CE2-CG1 4.15Å; F200-V326 HydrophobicContact CE2-CG2 4.46Å; F200-V326 HydrophobicContact CZ-CB 4.44Å; F200-V326 HydrophobicContact CZ-CG1 3.99Å; F200-V326 HydrophobicContact CZ-CG2 3.59Å; F200-Q330 HydrophobicContact CD2-CG 3.69Å; F200-Q330 HydrophobicContact CE2-CG 4.07Å; F200-Q330 HydrophobicContact CG-CG 4.42Å; F200-L332 HydrophobicContact CB-CD2 3.98Å; F200-L332 HydrophobicContact CD1-CD2 4.35Å; F200-S333 PolarHBondContact O-N 3.01Å; F200-S333 VanDerWaalsContact O-N 3.14Å
201T93.3Very high94Very high71 Ų7135 Ų3544%0.43621%0.211SC..EExtended strand (participates in β ladder)trans-83.8123.5171.1-56.40000108.8S333 V335T201-S333 CarbonylContact C-O 3.33Å; T201-S333 VanDerWaalsContact CA-O 3.3Å; T201-S333 WeakPolarHBondContact CA-O 3.33Å; T201-V335 HydrophobicContact CG2-CB 4.23Å; T201-V335 HydrophobicContact CG2-CG1 3.69Å; T201-V335 HydrophobicContact CG2-CG2 3.45Å; T201-V335 VanDerWaalsContact CG2-CG2 3.45Å
202I94.6Very high94.2Very high1 Ų138.6 Ų38.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-118.3130.7-176.3-56.8173.2000108.9H109 E191 L204 F225 L313 L332 S333 F334 V335H109-I202 HydrophobicContact CB-CD1 4.04Å; H109-I202 HydrophobicContact CB-CG2 4.33Å; H109-I202 VanDerWaalsContact ND1-CG2 3.32Å; H109-I202 WeakPolarHBondContact ND1-CG2 3.36Å; E191-I202 VanDerWaalsContact OE1-CA 3.22Å; E191-I202 WeakPolarHBondContact OE1-CA 3.32Å; E191-I202 WeakPolarHBondContact OE1-CG2 3.16Å; I202-L204 HydrophobicContact CG2-CB 3.97Å; I202-L204 PolarHBondContact O-N 3.33Å; I202-F225 HydrophobicContact CD1-CD2 4.27Å; I202-F225 HydrophobicContact CD1-CE2 3.88Å; I202-L313 HydrophobicContact CD1-CD2 4.21Å; I202-L332 HydrophobicContact CD1-CD1 3.75Å; I202-L332 HydrophobicContact CD1-CD2 3.83Å; I202-L332 HydrophobicContact CD1-CG 4.27Å; I202-S333 PolarHBondContact N-O 2.66Å; I202-F334 HydrophobicContact CB-CD1 4.14Å; I202-F334 HydrophobicContact CB-CE1 4.43Å; I202-F334 HydrophobicContact CD1-CE1 4.09Å; I202-F334 WeakPolarHBondContact O-CA 3.34Å; I202-V335 PolarHBondContact O-N 3.25Å
203L94.5Very high94.5Very high24 Ų2439.2 Ų39.213%0.12623%0.23CC..SBendtrans-80.185.4175.3-168.984.6000110G187 P190 E191 K207 V335G187-L203 WeakPolarHBondContact CA-O 3.39Å; G187-L203 WeakPolarHBondContact O-CD2 3.44Å; P190-L203 HydrophobicContact CB-CD2 3.75Å; P190-L203 HydrophobicContact CG-CD2 3.72Å; E191-L203 HydrophobicContact CB-CB 4.07Å; E191-L203 HydrophobicContact CG-CB 4.44Å; E191-L203 PolarHBondContact OE1-N 3.4Å; L203-K207 VanDerWaalsContact CD2-CE 3.43Å; L203-K207 WeakPolarHBondContact O-CG 3.27Å; L203-V335 CarbonylContact C-O 3.29Å; L203-V335 WeakPolarHBondContact CA-O 3.22Å; L203-V335 HydrophobicContact CD1-CG2 4.09Å
204L95.9Very high94.9Very high0 Ų039.2 Ų39.20%023%0.23CC..  trans-133.3-22.9-174.3-179.358.7000113.6V186 I202 N206 K207 F210 H306 Y309 T310 L313 F334 V335V186-L204 HydrophobicContact CG1-CD1 3.76Å; I202-L204 HydrophobicContact CG2-CB 3.97Å; I202-L204 PolarHBondContact O-N 3.33Å; L204-N206 PolarHBondContact O-N 2.84Å; L204-K207 HydrophobicContact CD1-CB 4.35Å; L204-K207 PolarHBondContact O-N 3.42Å; L204-F210 HydrophobicContact CD1-CE1 3.79Å; L204-F210 HydrophobicContact CD1-CZ 4.13Å; L204-H306 PolarHBondContact O-CE1 3.43Å; L204-H306 PolarHBondContact O-NE2 2.96Å; L204-Y309 HydrophobicContact CD1-CD1 4.5Å; L204-Y309 HydrophobicContact CD1-CE1 4.24Å; L204-Y309 HydrophobicContact CD2-CD1 4.18Å; L204-Y309 HydrophobicContact CD2-CE1 3.97Å; L204-T310 HydrophobicContact CD2-CG2 4.43Å; L204-L313 HydrophobicContact CD2-CD2 3.68Å; L204-F334 HydrophobicContact CB-CD1 3.93Å; L204-F334 HydrophobicContact CD2-CD1 3.87Å; L204-F334 HydrophobicContact CD2-CE1 3.85Å; L204-F334 HydrophobicContact CG-CD1 4.39Å; L204-V335 PolarHBondContact N-O 3.31Å
205A93.6Very high95.2Very high37 Ų3736.9 Ų36.931%0.30622%0.217SC..THydrogen-bonded Turntrans-56.4-38.3-164.900000112.9H306 F334 V335A205-H306 PolarHBondContact O-CE1 2.87Å; A205-F334 HydrophobicContact CB-CB 4.36Å; A205-V335 PolarHBondContact N-O 3.33Å; A205-V335 VanDerWaalsContact N-O 3.07Å
206N91.2Very high95.4Very high133 Ų13338.1 Ų38.171%0.71122%0.222SC*.THydrogen-bonded Turntrans-111.112.5-178.9-61.6-61.4000113.4L204 K208L204-N206 PolarHBondContact O-N 2.84Å; N206-K208 PolarHBondContact O-N 2.96Å
207K93.8Very high95.7Very high73 Ų7337.3 Ų37.332%0.31722%0.221SC..  trans-9472.4-174.8-64.6-64.6-170.8175.10111.7V186 L203 L204 F210V186-K207 HydrophobicContact CG1-CB 3.87Å; V186-K207 HydrophobicContact CG1-CG 4.42Å; L203-K207 VanDerWaalsContact CD2-CE 3.43Å; L203-K207 WeakPolarHBondContact O-CG 3.27Å; L204-K207 HydrophobicContact CD1-CB 4.35Å; L204-K207 PolarHBondContact O-N 3.42Å; K207-F210 WeakPolarHBondContact O-CD1 3.45Å; K207-F210 WeakPolarHBondContact O-CE1 3.27Å
208K96.3Very high95.8Very high55 Ų5535.9 Ų35.924%0.23922%0.215CC..  trans-90-6.1-177.6-61.5174.4-177.51700114.8N206 F210 V211 K212 D303 H306N206-K208 PolarHBondContact O-N 2.96Å; K208-F210 VanDerWaalsContact C-N 3.35Å; K208-F210 PolarHBondContact O-N 3.19Å; K208-V211 WeakPolarHBondContact O-CB 3.35Å; K208-V211 PolarHBondContact O-N 3.27Å; K208-V211 VanDerWaalsContact O-N 3.14Å; K208-K212 PolarHBondContact O-N 2.84Å; K208-D303 WeakPolarHBondContact CD-OD1 3.29Å; K208-D303 WeakPolarHBondContact CE-OD1 3.48Å; K208-D303 IonicContact NZ-OD1 3.4Å; K208-D303 PolarHBondContact NZ-OD1 2.89Å; K208-D303 IonicContact NZ-OD2 3.39Å; K208-D303 PolarHBondContact NZ-OD2 2.96Å; K208-H306 HydrophobicContact CG-CB 4.23Å
209G96.7Very high96.1Very high57 Ų5734.2 Ų34.259%0.58820%0.198SC*.Hα-helixtrans-60.4-37.1-174.500000114.7L213G209-L213 WeakPolarHBondContact O-CB 3.42Å; G209-L213 PolarHBondContact O-N 3.26Å
210F97.9Very high96.4Very high13 Ų1334.2 Ų34.26%0.05719%0.193CC..Hα-helixtrans-73.6-32.3177.677.4-84000112.3I105 I184 V186 L204 K207 K208 L213 A214 L221 Y309I105-F210 HydrophobicContact CG2-CD2 4.34Å; I184-F210 HydrophobicContact CD1-CB 4.08Å; V186-F210 HydrophobicContact CG1-CD1 3.65Å; V186-F210 HydrophobicContact CG1-CE1 3.65Å; V186-F210 HydrophobicContact CG2-CD1 4.29Å; V186-F210 HydrophobicContact CG2-CE1 4.38Å; V186-F210 HydrophobicContact CG2-CG 4.49Å; L204-F210 HydrophobicContact CD1-CE1 3.79Å; L204-F210 HydrophobicContact CD1-CZ 4.13Å; K207-F210 WeakPolarHBondContact O-CD1 3.45Å; K207-F210 WeakPolarHBondContact O-CE1 3.27Å; K208-F210 VanDerWaalsContact C-N 3.35Å; K208-F210 PolarHBondContact O-N 3.19Å; F210-L213 PolarHBondContact O-N 2.8Å; F210-A214 WeakPolarHBondContact O-CB 3.36Å; F210-A214 PolarHBondContact O-N 3.3Å; F210-L221 HydrophobicContact CD2-CD2 3.6Å; F210-L221 HydrophobicContact CE2-CD1 4.26Å; F210-L221 HydrophobicContact CE2-CD2 3.71Å; F210-Y309 HydrophobicContact CE2-CD1 4.13Å; F210-Y309 AromaticContact CE2-CD2 3.94Å; F210-Y309 HydrophobicContact CE2-CD2 3.94Å; F210-Y309 HydrophobicContact CE2-CE1 4.02Å; F210-Y309 AromaticContact CE2-CE2 3.83Å; F210-Y309 HydrophobicContact CE2-CE2 3.83Å; F210-Y309 HydrophobicContact CE2-CG 4.09Å; F210-Y309 AromaticContact CE2-CZ 3.88Å; F210-Y309 AromaticContact CZ-CD1 3.6Å; F210-Y309 HydrophobicContact CZ-CD1 3.6Å; F210-Y309 HydrophobicContact CZ-CD2 4.26Å; F210-Y309 AromaticContact CZ-CE1 3.59Å; F210-Y309 HydrophobicContact CZ-CE1 3.59Å; F210-Y309 HydrophobicContact CZ-CE2 4.25Å; F210-Y309 AromaticContact CZ-CG 3.95Å; F210-Y309 HydrophobicContact CZ-CG 3.95Å; F210-Y309 AromaticContact CZ-CZ 3.93Å
211V98.3Very high96.7Very high0 Ų032.7 Ų32.70%019%0.187CC..Hα-helixtrans-65.7-46.9173.8-179.50000109.7K208 L213 A214 M215 L221 L302 L305 H306K208-V211 WeakPolarHBondContact O-CB 3.35Å; K208-V211 PolarHBondContact O-N 3.27Å; K208-V211 VanDerWaalsContact O-N 3.14Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.13Å; V211-A214 VanDerWaalsContact O-CB 3.27Å; V211-A214 WeakPolarHBondContact O-CB 3.26Å; V211-A214 PolarHBondContact O-N 2.62Å; V211-A214 VanDerWaalsContact O-N 3.09Å; V211-M215 WeakPolarHBondContact O-CG 3.42Å; V211-M215 PolarHBondContact O-N 2.87Å; V211-L221 HydrophobicContact CB-CD1 4.48Å; V211-L221 HydrophobicContact CG1-CD1 4.29Å; V211-L221 HydrophobicContact CG2-CD1 4.08Å; V211-L302 HydrophobicContact CG1-CD2 4.18Å; V211-L305 HydrophobicContact CG1-CB 3.86Å; V211-L305 HydrophobicContact CG1-CD2 3.57Å; V211-L305 HydrophobicContact CG1-CG 3.66Å; V211-H306 HydrophobicContact CG2-CB 4.08Å
212K98.3Very high96.9Very high84 Ų8429.3 Ų29.337%0.36517%0.166SC..Hα-helixtrans-57.1-45.7173.7-175172.1-176.8165.70112.1K208 A214 M215 E216 P297 L302K208-K212 PolarHBondContact O-N 2.84Å; K212-A214 VanDerWaalsContact C-N 3.31Å; K212-A214 PolarHBondContact O-N 2.84Å; K212-M215 PolarHBondContact O-N 3.44Å; K212-E216 WeakPolarHBondContact CE-OE1 3.28Å; K212-E216 HydrophobicContact CG-CG 4.48Å; K212-E216 WeakPolarHBondContact O-CG 3.43Å; K212-E216 PolarHBondContact O-N 3.26Å; K212-P297 HydrophobicContact CG-CG 4.24Å; K212-L302 VanDerWaalsContact CA-CD2 3.49Å; K212-L302 HydrophobicContact CB-CD1 4.49Å; K212-L302 HydrophobicContact CB-CD2 3.67Å; K212-L302 HydrophobicContact CD-CD1 4.47Å; K212-L302 HydrophobicContact CG-CD2 4.23Å
213L98.3Very high97.1Very high13 Ų1329.3 Ų29.37%0.06817%0.166CC..Hα-helixtrans-61.1-40.2175.9-176.967.4000111.9I105 K166 A169 S170 L173 G209 F210 V211 E216 H217I105-L213 HydrophobicContact CD1-CB 4.15Å; I105-L213 HydrophobicContact CD1-CD2 3.95Å; I105-L213 HydrophobicContact CD1-CG 3.96Å; K166-L213 HydrophobicContact CG-CD1 4.2Å; A169-L213 HydrophobicContact CB-CD2 3.63Å; S170-L213 WeakPolarHBondContact OG-CD1 3.39Å; L173-L213 HydrophobicContact CD1-CD1 4.46Å; L173-L213 HydrophobicContact CD1-CD2 3.99Å; L173-L213 HydrophobicContact CD1-CG 3.9Å; G209-L213 WeakPolarHBondContact O-CB 3.42Å; G209-L213 PolarHBondContact O-N 3.26Å; F210-L213 PolarHBondContact O-N 2.8Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.13Å; L213-E216 PolarHBondContact O-N 3.43Å; L213-H217 PolarHBondContact O-CD2 3.3Å; L213-H217 VanDerWaalsContact O-CD2 3.29Å; L213-H217 PolarHBondContact O-N 2.83Å
214A98.5Very high97.3Very high0 Ų028.1 Ų28.10%016%0.16CC..Hα-helixtrans-59.5-4817600000111.4I105 F210 V211 K212 H217 G218 A219 L221 V291I105-A214 HydrophobicContact CD1-CB 3.9Å; F210-A214 WeakPolarHBondContact O-CB 3.36Å; F210-A214 PolarHBondContact O-N 3.3Å; V211-A214 VanDerWaalsContact O-CB 3.27Å; V211-A214 WeakPolarHBondContact O-CB 3.26Å; V211-A214 PolarHBondContact O-N 2.62Å; V211-A214 VanDerWaalsContact O-N 3.09Å; K212-A214 VanDerWaalsContact C-N 3.31Å; K212-A214 PolarHBondContact O-N 2.84Å; A214-H217 PolarHBondContact O-N 3.46Å; A214-G218 CarbonylContact O-C 3.48Å; A214-G218 WeakPolarHBondContact O-CA 3.47Å; A214-G218 PolarHBondContact O-N 3.41Å; A214-A219 WeakPolarHBondContact CB-O 3.13Å; A214-A219 PolarHBondContact O-N 2.74Å; A214-L221 HydrophobicContact CB-CD1 4.4Å; A214-L221 HydrophobicContact CB-CD2 3.51Å; A214-L221 HydrophobicContact CB-CG 3.8Å; A214-V291 HydrophobicContact CB-CG1 4.37Å; A214-V291 HydrophobicContact CB-CG2 4.35Å
215M98.6Very high97.5Very high14 Ų1428.3 Ų28.37%0.06916%0.161CC..Hα-helixtrans-64-44.5178.7-66.3-178.681.600112.2V211 K212 H217 G218 V291 K293 N294 P297 E301 L302 L305V211-M215 WeakPolarHBondContact O-CG 3.42Å; V211-M215 PolarHBondContact O-N 2.87Å; K212-M215 PolarHBondContact O-N 3.44Å; M215-H217 PolarHBondContact O-N 3.4Å; M215-H217 VanDerWaalsContact O-N 3.14Å; M215-G218 PolarHBondContact O-N 3.05Å; M215-V291 HydrophobicContact CB-CG1 4.31Å; M215-V291 HydrophobicContact CG-CG1 3.82Å; M215-K293 CarbonylContact O-C 3.57Å; M215-K293 VanDerWaalsContact O-CA 3.27Å; M215-K293 WeakPolarHBondContact O-CA 3.49Å; M215-N294 CarbonylContact C-O 3.37Å; M215-N294 VanDerWaalsContact C-O 3.28Å; M215-N294 HydrophobicContact CE-CB 4.29Å; M215-N294 PolarHBondContact O-N 3.24Å; M215-P297 HydrophobicContact CB-CB 4.41Å; M215-P297 HydrophobicContact CB-CG 4.32Å; M215-P297 HydrophobicContact CE-CB 3.44Å; M215-P297 VanDerWaalsContact CE-CB 3.44Å; M215-P297 HydrophobicContact CE-CG 4.49Å; M215-P297 HydrophobicContact SD-CB 3.56Å; M215-P297 VanDerWaalsContact SD-CB 3.56Å; M215-P297 HydrophobicContact SD-CG 4.1Å; M215-E301 HydrophobicContact CE-CB 3.82Å; M215-L302 HydrophobicContact SD-CD2 3.63Å; M215-L302 HydrophobicContact SD-CG 4.31Å; M215-L305 HydrophobicContact CG-CD2 3.66Å; M215-L305 HydrophobicContact SD-CD2 3.97Å
216E98.1Very high97.7Very high27 Ų2726.6 Ų26.613%0.12615%0.146CC..Hα-helixtrans-58.2-31.7180-75.4175.5-178.800112.6K166 K212 L213 K293 N294K166-E216 WeakPolarHBondContact CE-OE2 3.37Å; K166-E216 IonicContact NZ-OE1 2.52Å; K166-E216 PolarHBondContact NZ-OE1 3.47Å; K166-E216 IonicContact NZ-OE2 3.88Å; K166-E216 PolarHBondContact NZ-OE2 3.49Å; K212-E216 WeakPolarHBondContact CE-OE1 3.28Å; K212-E216 HydrophobicContact CG-CG 4.48Å; K212-E216 WeakPolarHBondContact O-CG 3.43Å; K212-E216 PolarHBondContact O-N 3.26Å; L213-E216 PolarHBondContact O-N 3.43Å; E216-K293 WeakPolarHBondContact O-CE 3.49Å; E216-N294 WeakPolarHBondContact CA-O 3.37Å; E216-N294 PolarHBondContact N-O 2.97Å
217H98.1Very high98Very high36 Ų3620.6 Ų20.617%0.16711%0.114CC..Hα-helixtrans-108.3-3.1-178.5-63.5-73.7000114.5S170 L173 L213 A214 M215 A219S170-H217 WeakPolarHBondContact CA-NE2 3.07Å; S170-H217 VanDerWaalsContact CB-NE2 3.27Å; S170-H217 WeakPolarHBondContact CB-NE2 3.5Å; S170-H217 PolarHBondContact OG-NE2 2.84Å; L173-H217 HydrophobicContact CB-CB 3.84Å; L213-H217 PolarHBondContact O-CD2 3.3Å; L213-H217 VanDerWaalsContact O-CD2 3.29Å; L213-H217 PolarHBondContact O-N 2.83Å; A214-H217 PolarHBondContact O-N 3.46Å; M215-H217 PolarHBondContact O-N 3.4Å; M215-H217 VanDerWaalsContact O-N 3.14Å; H217-A219 PolarHBondContact O-N 2.92Å
218G97.8Very high98.2Very high21 Ų2118 Ų1822%0.21611%0.109CC..THydrogen-bonded Turntrans62.826.2-172.600000113.5A214 M215A214-G218 CarbonylContact O-C 3.48Å; A214-G218 WeakPolarHBondContact O-CA 3.47Å; A214-G218 PolarHBondContact O-N 3.41Å; M215-G218 PolarHBondContact O-N 3.05Å
219A98.4Very high98.2Very high0 Ų015.6 Ų15.60%010%0.098CC..PPolyproline II helixtrans-82133.5178.900000110.1N103 I105 L173 A214 H217 V291N103-A219 HydrophobicContact CB-CB 4.27Å; N103-A219 CarbonylContact O-C 3.52Å; N103-A219 VanDerWaalsContact O-CA 3.31Å; N103-A219 WeakPolarHBondContact O-CA 3.34Å; I105-A219 HydrophobicContact CG1-CB 4.25Å; L173-A219 HydrophobicContact CD1-CB 4.33Å; L173-A219 HydrophobicContact CD2-CB 3.77Å; L173-A219 HydrophobicContact CG-CB 4.49Å; A214-A219 WeakPolarHBondContact CB-O 3.13Å; A214-A219 PolarHBondContact O-N 2.74Å; H217-A219 PolarHBondContact O-N 2.92Å; A219-V291 WeakPolarHBondContact O-CB 3.49Å; A219-V291 WeakPolarHBondContact O-CG2 3.37Å
220H98.7Very high98.2Very high27 Ų2713.6 Ų13.613%0.1257%0.074CC..EExtended strand (participates in β ladder)trans-74.1139.2-178.6-65.8-7.8000111N103 Y104 I105 I289 V291N103-H220 PolarHBondContact O-N 3Å; Y104-H220 CarbonylContact C-O 3.6Å; Y104-H220 VanDerWaalsContact CA-O 3.25Å; Y104-H220 WeakPolarHBondContact CA-O 3.43Å; Y104-H220 HydrophobicContact CD1-CB 3.68Å; Y104-H220 HydrophobicContact CE1-CB 3.72Å; I105-H220 PolarHBondContact N-O 2.7Å; H220-I289 WeakPolarHBondContact CA-O 3.26Å; H220-I289 WeakPolarHBondContact CB-O 3.28Å; H220-V291 PolarHBondContact ND1-N 2.92Å
221L98.9Very high98.1Very high0 Ų015.7 Ų15.70%08%0.084CC..EExtended strand (participates in β ladder)trans-83.9140.1177-68.9174000109.6I105 F210 V211 A214 I289 V291 L305 Y309I105-L221 HydrophobicContact CB-CD2 4.02Å; I105-L221 HydrophobicContact CG2-CD2 4.26Å; F210-L221 HydrophobicContact CD2-CD2 3.6Å; F210-L221 HydrophobicContact CE2-CD1 4.26Å; F210-L221 HydrophobicContact CE2-CD2 3.71Å; V211-L221 HydrophobicContact CB-CD1 4.48Å; V211-L221 HydrophobicContact CG1-CD1 4.29Å; V211-L221 HydrophobicContact CG2-CD1 4.08Å; A214-L221 HydrophobicContact CB-CD1 4.4Å; A214-L221 HydrophobicContact CB-CD2 3.51Å; A214-L221 HydrophobicContact CB-CG 3.8Å; L221-I289 HydrophobicContact CB-CB 4.2Å; L221-I289 PolarHBondContact N-O 3.3Å; L221-I289 VanDerWaalsContact N-O 3.07Å; L221-I289 PolarHBondContact O-N 3.2Å; L221-V291 HydrophobicContact CB-CG2 4.49Å; L221-V291 HydrophobicContact CD1-CG2 4.37Å; L221-V291 HydrophobicContact CG-CG2 4Å; L221-L305 HydrophobicContact CD1-CD1 4.3Å; L221-L305 HydrophobicContact CD1-CD2 4.13Å; L221-L305 HydrophobicContact CD1-CG 4Å; L221-Y309 HydrophobicContact CB-CD2 3.96Å; L221-Y309 HydrophobicContact CB-CE2 4.36Å; L221-Y309 HydrophobicContact CD1-CD2 4.09Å; L221-Y309 HydrophobicContact CG-CD2 4.5Å
222V98.9Very high98Very high0 Ų015.8 Ų15.80%08%0.084CC..EExtended strand (participates in β ladder)trans-130.9114.7174.7-172.70000108.6L98 Y104 I105 L106 G107 V224 V285 G286 P288L98-V222 HydrophobicContact CD2-CG2 4.12Å; Y104-V222 HydrophobicContact CD1-CG2 3.63Å; Y104-V222 HydrophobicContact CE1-CG2 4.4Å; Y104-V222 HydrophobicContact CG-CG2 4.34Å; I105-V222 PolarHBondContact O-N 3.18Å; L106-V222 WeakPolarHBondContact CA-O 3.25Å; L106-V222 HydrophobicContact CD1-CB 4.12Å; L106-V222 HydrophobicContact CD1-CG2 4.1Å; L106-V222 HydrophobicContact CG-CB 4.1Å; G107-V222 PolarHBondContact N-O 2.96Å; V222-V224 HydrophobicContact CG1-CG2 4.43Å; V222-V285 HydrophobicContact CG1-CG1 3.63Å; V222-G286 VanDerWaalsContact CG1-O 3.29Å; V222-G286 WeakPolarHBondContact CG1-O 3.44Å; V222-P288 HydrophobicContact CG2-CB 4.23Å
223P98.8Very high97.9Very high1 Ų112 Ų121%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-69.4133.6172.428-30.8000109.7G286 R287 Y309 E312 L313 L316P223-G286 WeakPolarHBondContact O-CA 3.46Å; P223-G286 PolarHBondContact O-N 3.48Å; P223-R287 WeakPolarHBondContact CD-O 3.14Å; P223-Y309 HydrophobicContact CB-CE2 4.04Å; P223-E312 HydrophobicContact CG-CB 4.11Å; P223-L313 HydrophobicContact CB-CB 3.98Å; P223-L313 HydrophobicContact CB-CD1 3.98Å; P223-L316 HydrophobicContact CB-CD2 4.39Å; P223-L316 WeakPolarHBondContact O-CD2 3.18Å
224V98.9Very high97.7Very high0 Ų013.8 Ų13.80%08%0.078CC..EExtended strand (participates in β ladder)trans-130.1123.4177.6-179.30000108.7L106 G107 F108 H109 F122 V222 T283 V284 V285L106-V224 HydrophobicContact CB-CG2 3.96Å; L106-V224 HydrophobicContact CD2-CG2 4.43Å; L106-V224 HydrophobicContact CG-CG2 4.1Å; G107-V224 WeakPolarHBondContact O-CA 3.43Å; G107-V224 WeakPolarHBondContact O-CB 3.47Å; G107-V224 PolarHBondContact O-N 2.87Å; F108-V224 HydrophobicContact CD2-CG1 3.83Å; F108-V224 HydrophobicContact CE2-CG1 4.49Å; H109-V224 PolarHBondContact N-O 2.95Å; F122-V224 HydrophobicContact CE2-CG1 4.48Å; F122-V224 HydrophobicContact CZ-CG1 4.12Å; V222-V224 HydrophobicContact CG1-CG2 4.43Å; V224-T283 HydrophobicContact CG1-CG2 3.4Å; V224-T283 VanDerWaalsContact CG1-CG2 3.4Å; V224-V284 WeakPolarHBondContact CA-O 3.45Å; V224-V285 HydrophobicContact CG1-CG2 4.31Å; V224-V285 HydrophobicContact CG2-CB 4.46Å; V224-V285 HydrophobicContact CG2-CG1 4.23Å; V224-V285 HydrophobicContact CG2-CG2 4.24Å
225F98.7Very high97.3Very high3 Ų314.6 Ų14.61%0.0138%0.082CC..EExtended strand (participates in β ladder)trans-118.3132.1178.1-167.4-88.7000111.6H109 F200 I202 F227 T283 V284 L313 L316 F317 L332H109-F225 HydrophobicContact CB-CD2 4.14Å; H109-F225 CarbonylContact O-C 3.51Å; H109-F225 VanDerWaalsContact O-CA 3.31Å; H109-F225 WeakPolarHBondContact O-CA 3.36Å; F200-F225 AromaticContact CD1-CZ 3.87Å; F200-F225 HydrophobicContact CD1-CZ 3.87Å; F200-F225 HydrophobicContact CE1-CE1 4.46Å; F200-F225 HydrophobicContact CE1-CZ 4.2Å; I202-F225 HydrophobicContact CD1-CD2 4.27Å; I202-F225 HydrophobicContact CD1-CE2 3.88Å; F225-F227 HydrophobicContact CD1-CD1 4.07Å; F225-F227 AromaticContact CD1-CD2 3.65Å; F225-F227 HydrophobicContact CD1-CD2 3.65Å; F225-F227 AromaticContact CD1-CE1 3.89Å; F225-F227 HydrophobicContact CD1-CE1 3.89Å; F225-F227 AromaticContact CD1-CE2 3.48Å; F225-F227 HydrophobicContact CD1-CE2 3.48Å; F225-F227 VanDerWaalsContact CD1-CE2 3.48Å; F225-F227 AromaticContact CD1-CG 3.95Å; F225-F227 HydrophobicContact CD1-CG 3.95Å; F225-F227 AromaticContact CD1-CZ 3.6Å; F225-F227 HydrophobicContact CD1-CZ 3.6Å; F225-F227 AromaticContact CE1-CD1 3.59Å; F225-F227 HydrophobicContact CE1-CD1 3.59Å; F225-F227 HydrophobicContact CE1-CD2 4.01Å; F225-F227 AromaticContact CE1-CE1 3.58Å; F225-F227 HydrophobicContact CE1-CE1 3.58Å; F225-F227 HydrophobicContact CE1-CE2 4.03Å; F225-F227 AromaticContact CE1-CG 3.81Å; F225-F227 HydrophobicContact CE1-CG 3.81Å; F225-F227 AromaticContact CE1-CZ 3.81Å; F225-F227 HydrophobicContact CE1-CZ 3.81Å; F225-T283 CarbonylContact O-C 3.52Å; F225-T283 WeakPolarHBondContact O-CA 3.45Å; F225-V284 PolarHBondContact N-O 2.93Å; F225-V284 PolarHBondContact O-N 3.2Å; F225-L313 HydrophobicContact CB-CD1 4.19Å; F225-L313 HydrophobicContact CD2-CD1 4.31Å; F225-L316 HydrophobicContact CB-CD2 4.35Å; F225-F317 AromaticContact CD1-CD2 3.98Å; F225-F317 HydrophobicContact CD1-CD2 3.98Å; F225-F317 HydrophobicContact CD2-CD2 4.44Å; F225-F317 AromaticContact CE1-CD2 3.61Å; F225-F317 HydrophobicContact CE1-CD2 3.61Å; F225-F317 AromaticContact CE1-CE2 3.92Å; F225-F317 HydrophobicContact CE1-CE2 3.92Å; F225-F317 HydrophobicContact CE2-CD2 4.12Å; F225-F317 HydrophobicContact CG-CD2 4.39Å; F225-F317 AromaticContact CZ-CD2 3.69Å; F225-F317 HydrophobicContact CZ-CD2 3.69Å; F225-F317 AromaticContact CZ-CE2 3.89Å; F225-F317 HydrophobicContact CZ-CE2 3.89Å; F225-L332 HydrophobicContact CD2-CD1 4.5Å; F225-L332 HydrophobicContact CD2-CD2 4.48Å; F225-L332 HydrophobicContact CE2-CD1 4.48Å; F225-L332 HydrophobicContact CE2-CD2 3.72Å; F225-L332 HydrophobicContact CZ-CD2 4.1Å
226S98.5Very high96.9Very high1 Ų117.4 Ų17.41%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-11497.4-176.4-162.30000111.1F108 H109 E229 I281 T283F108-S226 VanDerWaalsContact CZ-CB 3.43Å; H109-S226 PolarHBondContact O-N 3.26Å; S226-E229 WeakPolarHBondContact O-CB 3.45Å; S226-E229 PolarHBondContact OG-OE2 3.08Å; S226-I281 VanDerWaalsContact OG-CG2 3.31Å; S226-I281 WeakPolarHBondContact OG-CG2 3.12Å; S226-T283 PolarHBondContact OG-OG1 3.49Å
227F98.3Very high96.5Very high7 Ų718.9 Ų18.93%0.03112%0.122CC..EExtended strand (participates in β ladder)trans-69.7132.2173.6-64-89.5000110.1F225 I281 N282 V284 F317 H320 K321 Y324 V326F225-F227 HydrophobicContact CD1-CD1 4.07Å; F225-F227 AromaticContact CD1-CD2 3.65Å; F225-F227 HydrophobicContact CD1-CD2 3.65Å; F225-F227 AromaticContact CD1-CE1 3.89Å; F225-F227 HydrophobicContact CD1-CE1 3.89Å; F225-F227 AromaticContact CD1-CE2 3.48Å; F225-F227 HydrophobicContact CD1-CE2 3.48Å; F225-F227 VanDerWaalsContact CD1-CE2 3.48Å; F225-F227 AromaticContact CD1-CG 3.95Å; F225-F227 HydrophobicContact CD1-CG 3.95Å; F225-F227 AromaticContact CD1-CZ 3.6Å; F225-F227 HydrophobicContact CD1-CZ 3.6Å; F225-F227 AromaticContact CE1-CD1 3.59Å; F225-F227 HydrophobicContact CE1-CD1 3.59Å; F225-F227 HydrophobicContact CE1-CD2 4.01Å; F225-F227 AromaticContact CE1-CE1 3.58Å; F225-F227 HydrophobicContact CE1-CE1 3.58Å; F225-F227 HydrophobicContact CE1-CE2 4.03Å; F225-F227 AromaticContact CE1-CG 3.81Å; F225-F227 HydrophobicContact CE1-CG 3.81Å; F225-F227 AromaticContact CE1-CZ 3.81Å; F225-F227 HydrophobicContact CE1-CZ 3.81Å; F227-I281 CarbonylContact O-C 3.55Å; F227-I281 WeakPolarHBondContact O-CA 3.49Å; F227-N282 HydrophobicContact CB-CB 4.42Å; F227-N282 PolarHBondContact N-O 3.49Å; F227-N282 PolarHBondContact O-N 2.82Å; F227-V284 HydrophobicContact CD2-CG2 4.24Å; F227-V284 HydrophobicContact CE2-CG2 4.06Å; F227-F317 HydrophobicContact CD1-CE2 4.45Å; F227-F317 AromaticContact CE1-CD2 3.6Å; F227-F317 HydrophobicContact CE1-CD2 3.6Å; F227-F317 AromaticContact CE1-CE2 3.57Å; F227-F317 HydrophobicContact CE1-CE2 3.57Å; F227-F317 AromaticContact CZ-CD2 3.73Å; F227-F317 HydrophobicContact CZ-CD2 3.73Å; F227-F317 HydrophobicContact CZ-CE2 4.19Å; F227-H320 HydrophobicContact CE2-CB 3.76Å; F227-H320 HydrophobicContact CZ-CB 3.9Å; F227-K321 HydrophobicContact CE1-CB 4.04Å; F227-K321 HydrophobicContact CZ-CB 4.37Å; F227-Y324 HydrophobicContact CB-CD2 4.01Å; F227-Y324 HydrophobicContact CB-CG 4.07Å; F227-Y324 AromaticContact CD1-CD2 3.94Å; F227-Y324 HydrophobicContact CD1-CD2 3.94Å; F227-Y324 HydrophobicContact CD1-CG 4.38Å; F227-Y324 AromaticContact CD2-CD2 3.21Å; F227-Y324 HydrophobicContact CD2-CD2 3.21Å; F227-Y324 AromaticContact CD2-CE2 3.53Å; F227-Y324 HydrophobicContact CD2-CE2 3.53Å; F227-Y324 HydrophobicContact CD2-CG 4.12Å; F227-Y324 HydrophobicContact CE1-CD2 4.21Å; F227-Y324 AromaticContact CE2-CD2 3.51Å; F227-Y324 HydrophobicContact CE2-CD2 3.51Å; F227-Y324 AromaticContact CE2-CE2 3.75Å; F227-Y324 HydrophobicContact CE2-CE2 3.75Å; F227-Y324 AromaticContact CG-CD2 3.44Å; F227-Y324 HydrophobicContact CG-CD2 3.44Å; F227-Y324 VanDerWaalsContact CG-CD2 3.44Å; F227-Y324 HydrophobicContact CG-CE2 4.21Å; F227-Y324 AromaticContact CG-CG 3.94Å; F227-Y324 HydrophobicContact CG-CG 3.94Å; F227-Y324 HydrophobicContact CZ-CD2 4.01Å; F227-V326 HydrophobicContact CD1-CG2 4.03Å; F227-V326 HydrophobicContact CE1-CG2 4.11Å
228G96.9Very high96Very high20 Ų2017.6 Ų17.621%0.20612%0.116CC..THydrogen-bonded Turntrans91.4-6.2-179.500000115N230 E231G228-N230 VanDerWaalsContact C-N 3.34Å; G228-N230 PolarHBondContact O-N 3.39Å; G228-E231 WeakPolarHBondContact O-CB 3.44Å; G228-E231 PolarHBondContact O-N 3.28Å; G228-E231 VanDerWaalsContact O-N 3.11Å
229E96.4Very high95.7Very high3 Ų320.5 Ų20.51%0.01413%0.131CC..G310 helixtrans-61.1-41.8-179.5-162.570-142.800112.5F108 P110 V115 A116 G117 S226 E231 L232F108-E229 HydrophobicContact CE1-CG 4.34Å; F108-E229 HydrophobicContact CZ-CG 4.4Å; P110-E229 HydrophobicContact CG-CB 4.09Å; V115-E229 VanDerWaalsContact CA-OE1 3.31Å; V115-E229 WeakPolarHBondContact CA-OE1 3.42Å; A116-E229 PolarHBondContact N-OE1 3.11Å; G117-E229 VanDerWaalsContact CA-OE2 3.23Å; G117-E229 WeakPolarHBondContact CA-OE2 3.5Å; G117-E229 PolarHBondContact N-OE1 3.4Å; G117-E229 PolarHBondContact N-OE2 3.43Å; S226-E229 WeakPolarHBondContact O-CB 3.45Å; S226-E229 PolarHBondContact OG-OE2 3.08Å; E229-E231 VanDerWaalsContact C-N 3.29Å; E229-E231 PolarHBondContact O-N 3.34Å; E229-L232 WeakPolarHBondContact O-CG 3.29Å
230N96.4Very high95.1Very high15 Ų1529 Ų298%0.0816%0.163CC..G310 helixtrans-77.6-11177.7-78.2-14.7000113.6G112 A195 R196 A199 G228 L232G112-N230 WeakPolarHBondContact CA-OD1 3.33Å; A195-N230 WeakPolarHBondContact CB-OD1 3.34Å; R196-N230 WeakPolarHBondContact O-CB 3.3Å; A199-N230 PolarHBondContact O-ND2 3.4Å; G228-N230 VanDerWaalsContact C-N 3.34Å; G228-N230 PolarHBondContact O-N 3.39Å; N230-L232 VanDerWaalsContact C-N 3.28Å; N230-L232 PolarHBondContact O-N 3.24Å
231E96.4Very high94.6Very high57 Ų5731.8 Ų31.827%0.26620%0.199SC..G310 helixtrans-82.5-6.7-178.6-58.8-59.5128.700113.2P197 G198 G228 E229 F233 K279P197-E231 VanDerWaalsContact CA-OE1 3.32Å; P197-E231 WeakPolarHBondContact CA-OE1 3.48Å; G198-E231 PolarHBondContact N-OE1 2.99Å; G228-E231 WeakPolarHBondContact O-CB 3.44Å; G228-E231 PolarHBondContact O-N 3.28Å; G228-E231 VanDerWaalsContact O-N 3.11Å; E229-E231 VanDerWaalsContact C-N 3.29Å; E229-E231 PolarHBondContact O-N 3.34Å; E231-F233 VanDerWaalsContact C-N 3.33Å; E231-K279 HydrophobicContact CB-CB 4.11Å; E231-K279 HydrophobicContact CB-CG 4.05Å
232L96.3Very high94.3Very high2 Ų234.1 Ų34.11%0.0121%0.214CC..G310 helixtrans-76.3-23.7-171.4-58.3-172.6000113.1F88 A116 E229 N230 P276 Y277 K279 I281F88-L232 HydrophobicContact CD1-CD2 3.7Å; F88-L232 HydrophobicContact CE1-CD1 4.18Å; F88-L232 HydrophobicContact CE1-CD2 3.78Å; F88-L232 HydrophobicContact CE1-CG 4.5Å; A116-L232 HydrophobicContact CB-CD1 3.58Å; E229-L232 WeakPolarHBondContact O-CG 3.29Å; N230-L232 VanDerWaalsContact C-N 3.28Å; N230-L232 PolarHBondContact O-N 3.24Å; L232-P276 HydrophobicContact CB-CB 3.98Å; L232-P276 CarbonylContact O-C 3.5Å; L232-P276 VanDerWaalsContact O-CA 3.29Å; L232-P276 WeakPolarHBondContact O-CA 3.27Å; L232-P276 WeakPolarHBondContact O-CB 3.34Å; L232-Y277 WeakPolarHBondContact O-CD2 3.45Å; L232-Y277 PolarHBondContact O-N 3.42Å; L232-K279 HydrophobicContact CD2-CB 4.12Å; L232-I281 HydrophobicContact CD1-CD1 3.75Å; L232-I281 HydrophobicContact CD2-CD1 4.08Å; L232-I281 HydrophobicContact CD2-CG1 4.12Å; L232-I281 HydrophobicContact CG-CD1 4.42Å
233F95.4Very high93.9Very high4 Ų438.6 Ų38.62%0.01824%0.244CC..  trans-144.8145.1-175.4-61.8-80.5000111.1V113 L114 P197 E231 F262 A264 P276V113-F233 HydrophobicContact CB-CD2 3.68Å; V113-F233 HydrophobicContact CB-CE2 4.13Å; V113-F233 HydrophobicContact CB-CG 4.34Å; V113-F233 HydrophobicContact CG1-CD2 4.21Å; V113-F233 HydrophobicContact CG1-CE2 4.45Å; V113-F233 HydrophobicContact CG2-CB 3.98Å; V113-F233 HydrophobicContact CG2-CD2 3.94Å; V113-F233 HydrophobicContact CG2-CG 4.25Å; L114-F233 HydrophobicContact CB-CE2 4.3Å; L114-F233 HydrophobicContact CD1-CE2 3.97Å; L114-F233 HydrophobicContact CD1-CZ 3.58Å; L114-F233 HydrophobicContact CG-CE2 3.91Å; L114-F233 HydrophobicContact CG-CZ 4.02Å; P197-F233 WeakPolarHBondContact CD-O 3.43Å; E231-F233 VanDerWaalsContact C-N 3.33Å; F233-F262 HydrophobicContact CB-CB 4.19Å; F233-F262 AromaticContact CD1-CD2 3.42Å; F233-F262 HydrophobicContact CD1-CD2 3.42Å; F233-F262 VanDerWaalsContact CD1-CD2 3.42Å; F233-F262 AromaticContact CD1-CE2 3.92Å; F233-F262 HydrophobicContact CD1-CE2 3.92Å; F233-F262 HydrophobicContact CD1-CG 4.31Å; F233-F262 AromaticContact CE1-CD2 3.67Å; F233-F262 HydrophobicContact CE1-CD2 3.67Å; F233-F262 AromaticContact CE1-CE2 3.63Å; F233-F262 HydrophobicContact CE1-CE2 3.63Å; F233-F262 HydrophobicContact CG-CD2 4.02Å; F233-F262 HydrophobicContact CZ-CD2 4.44Å; F233-F262 HydrophobicContact CZ-CE2 4.18Å; F233-A264 HydrophobicContact CD1-CB 3.75Å; F233-A264 HydrophobicContact CE1-CB 4.3Å; F233-P276 HydrophobicContact CD1-CB 4.28Å; F233-P276 HydrophobicContact CD2-CB 4.38Å; F233-P276 HydrophobicContact CE1-CB 3.64Å; F233-P276 HydrophobicContact CE1-CG 4.1Å; F233-P276 HydrophobicContact CE2-CB 3.76Å; F233-P276 HydrophobicContact CE2-CG 4.28Å; F233-P276 HydrophobicContact CZ-CB 3.36Å; F233-P276 HydrophobicContact CZ-CG 3.62Å
234D93.8Very high93.5Very high52 Ų5241 Ų4128%0.27826%0.256SS..EExtended strand (participates in β ladder)trans-86158.4159-61.9-51.3000109.1F262 H263 Y277D234-F262 CarbonylContact O-C 3.6Å; D234-F262 WeakPolarHBondContact O-CA 3.34Å; D234-F262 WeakPolarHBondContact O-CB 3.47Å; D234-H263 WeakPolarHBondContact CB-CE1 3.45Å; D234-H263 PolarHBondContact N-O 2.63Å; D234-H263 PolarHBondContact O-N 3.47Å; D234-H263 VanDerWaalsContact O-O 3.12Å; D234-H263 IonicContact OD2-CE1 2.73Å; D234-H263 IonicContact OD2-ND1 3.56Å; D234-Y277 VanDerWaalsContact OD2-CE2 3.26Å; D234-Y277 WeakPolarHBondContact OD2-CE2 3.42Å; D234-Y277 VanDerWaalsContact OD2-CZ 3.31Å; D234-Y277 PolarHBondContact OD2-OH 3.37Å
235Q92.1Very high93.1Very high17 Ų1741.2 Ų41.28%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-132.6142.2174.4-76.4-164.552.200110.7V113 A192 L193 A195 R196 G237 P260 L261 F262V113-Q235 HydrophobicContact CG2-CG 4.37Å; A192-Q235 PolarHBondContact O-NE2 3.46Å; L193-Q235 PolarHBondContact O-OE1 3.19Å; A195-Q235 PolarHBondContact O-NE2 3Å; R196-Q235 VanDerWaalsContact NH1-CB 3.3Å; Q235-G237 PolarHBondContact O-N 2.9Å; Q235-P260 VanDerWaalsContact OE1-CB 3.24Å; Q235-L261 WeakPolarHBondContact CA-O 3.16Å; Q235-F262 HydrophobicContact CG-CB 3.83Å
236V89.5Confident92.8Very high72 Ų7248.5 Ų48.544%0.43629%0.285SS..  trans-56.8135.2171.5-179.80000108.6R196 N238 L244 L261R196-V236 PolarHBondContact NH2-O 2.87Å; V236-N238 PolarHBondContact O-N 3.08Å; V236-L244 HydrophobicContact CG1-CD2 4.33Å; V236-L261 HydrophobicContact CB-CB 4.05Å; V236-L261 HydrophobicContact CG2-CB 3.98Å; V236-L261 PolarHBondContact N-O 2.84Å
237G88.6Confident92.3Very high58 Ų5852 Ų5260%0.59830%0.303SS*.  trans-56.3121.5178.700000111.5Q235 P239Q235-G237 PolarHBondContact O-N 2.9Å; G237-P239 VanDerWaalsContact C-CD 3.46Å
238N89.4Confident91.9Very high9 Ų952 Ų525%0.04830%0.303CS..  trans-132.653.9179.166.3-21.2000111.5L193 R196 V236 L244 R245 Q248L193-N238 PolarHBondContact O-ND2 3.27Å; L193-N238 VanDerWaalsContact O-ND2 3.1Å; R196-N238 PolarHBondContact NH2-OD1 3.29Å; V236-N238 PolarHBondContact O-N 3.08Å; N238-L244 HydrophobicContact CB-CD2 3.9Å; N238-L244 HydrophobicContact CB-CG 4.18Å; N238-R245 PolarHBondContact ND2-NH1 3.09Å; N238-R245 WeakPolarHBondContact O-CB 3.3Å; N238-Q248 PolarHBondContact ND2-OE1 3.31Å
239P89.9Confident91.6Very high83 Ų8353.9 Ų53.954%0.53931%0.308SS..  trans-59.6148.5-178.122.6-27.9000111.3G237 G241 T242 R245G237-P239 VanDerWaalsContact C-CD 3.46Å; P239-G241 PolarHBondContact O-N 3.31Å; P239-T242 HydrophobicContact CG-CG2 3.63Å; P239-T242 WeakPolarHBondContact O-CB 3.48Å; P239-T242 WeakPolarHBondContact O-CG2 3.32Å; P239-T242 PolarHBondContact O-N 3.49Å; P239-T242 VanDerWaalsContact O-N 3.13Å; P239-T242 PolarHBondContact O-OG1 3.02Å; P239-R245 WeakPolarHBondContact O-CB 3.48Å
240R87.3Confident91.1Very high178 Ų17858.8 Ų58.867%0.67233%0.329SS*.THydrogen-bonded Turntrans-56.5137.8177.2-66.9-174.2-178.2-1801.8110R245R240-R245 HydrophobicContact CG-CG 4.49Å
241G87.8Confident90.6Very high86 Ų8660.8 Ų60.889%0.88734%0.34SS*.THydrogen-bonded Turntrans92.2-9.1-173.900000114.9P239P239-G241 PolarHBondContact O-N 3.31Å
242T92.4Very high90.1Very high49 Ų4959.9 Ų59.930%0.30134%0.335SS..SBendtrans-79.6155.3171.3600000112.5P239 L244 R245 W246P239-T242 HydrophobicContact CG-CG2 3.63Å; P239-T242 WeakPolarHBondContact O-CB 3.48Å; P239-T242 WeakPolarHBondContact O-CG2 3.32Å; P239-T242 PolarHBondContact O-N 3.49Å; P239-T242 VanDerWaalsContact O-N 3.13Å; P239-T242 PolarHBondContact O-OG1 3.02Å; T242-L244 VanDerWaalsContact C-N 3.3Å; T242-L244 PolarHBondContact O-N 3.23Å; T242-R245 PolarHBondContact O-N 2.77Å; T242-R245 WeakPolarHBondContact OG1-CB 3.36Å; T242-R245 PolarHBondContact OG1-N 3.08Å; T242-W246 PolarHBondContact O-N 3.3Å
243C91.1Very high89.5Confident93 Ų9364.5 Ų64.563%0.62837%0.368SS*.Hα-helixtrans-58.1-42.6174.3-177.20000111.9R245 W246 I247C243-R245 PolarHBondContact O-N 3.18Å; C243-W246 PolarHBondContact O-N 3.07Å; C243-I247 WeakPolarHBondContact O-CG1 3.39Å; C243-I247 PolarHBondContact O-N 3.19Å
244L90.1Very high88.8Confident51 Ų5170 Ų7027%0.26740%0.396SS..Hα-helixtrans-58.1-49.2176.7175.660000111.2V236 N238 T242 W246 I247 Q248 L261V236-L244 HydrophobicContact CG1-CD2 4.33Å; N238-L244 HydrophobicContact CB-CD2 3.9Å; N238-L244 HydrophobicContact CB-CG 4.18Å; T242-L244 VanDerWaalsContact C-N 3.3Å; T242-L244 PolarHBondContact O-N 3.23Å; L244-W246 VanDerWaalsContact C-N 3.33Å; L244-W246 PolarHBondContact O-N 3.3Å; L244-I247 PolarHBondContact O-N 3Å; L244-Q248 HydrophobicContact CD1-CG 4.26Å; L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 2.71Å; L244-L261 HydrophobicContact CD1-CD1 3.72Å; L244-L261 HydrophobicContact CD1-CG 4.44Å; L244-L261 HydrophobicContact CD2-CD1 4.04Å
245R90.9Very high87.9Confident6 Ų672.4 Ų72.42%0.02341%0.407CS..Hα-helixtrans-64.5-40.1179.8-172.951.7-179.4-124.12.8111.8L193 D194 N238 P239 R240 T242 C243 I247 Q248 D249L193-R245 VanDerWaalsContact CB-NH1 3.32Å; D194-R245 IonicContact OD1-CZ 3.58Å; D194-R245 IonicContact OD1-NH1 2.72Å; D194-R245 PolarHBondContact OD1-NH1 3.32Å; D194-R245 IonicContact OD1-NH2 3.65Å; D194-R245 IonicContact OD2-CZ 3.53Å; D194-R245 IonicContact OD2-NH1 2.9Å; D194-R245 PolarHBondContact OD2-NH1 3.43Å; D194-R245 IonicContact OD2-NH2 3.89Å; D194-R245 PolarHBondContact OD2-NH2 3.49Å; N238-R245 PolarHBondContact ND2-NH1 3.09Å; N238-R245 WeakPolarHBondContact O-CB 3.3Å; P239-R245 WeakPolarHBondContact O-CB 3.48Å; R240-R245 HydrophobicContact CG-CG 4.49Å; T242-R245 PolarHBondContact O-N 2.77Å; T242-R245 WeakPolarHBondContact OG1-CB 3.36Å; T242-R245 PolarHBondContact OG1-N 3.08Å; C243-R245 PolarHBondContact O-N 3.18Å; R245-I247 VanDerWaalsContact C-N 3.35Å; R245-I247 PolarHBondContact O-N 2.58Å; R245-Q248 PolarHBondContact O-N 3.4Å; R245-D249 IonicContact CZ-OD1 3.78Å; R245-D249 IonicContact NE-OD1 3.49Å; R245-D249 PolarHBondContact NE-OD1 3.21Å; R245-D249 IonicContact NE-OD2 2.66Å; R245-D249 PolarHBondContact NE-OD2 2.84Å; R245-D249 IonicContact NH2-OD1 2.82Å; R245-D249 WeakPolarHBondContact O-CB 3.35Å; R245-D249 VanDerWaalsContact O-CG 3.25Å; R245-D249 PolarHBondContact O-N 3.48Å
246W90.6Very high87.2Confident156 Ų15673.2 Ų73.259%0.59142%0.42SS*.Hα-helixtrans-58.9-43.1174.6179.788.2000112.7T242 C243 L244 K250T242-W246 PolarHBondContact O-N 3.3Å; C243-W246 PolarHBondContact O-N 3.07Å; L244-W246 VanDerWaalsContact C-N 3.33Å; L244-W246 PolarHBondContact O-N 3.3Å; W246-K250 HydrophobicContact CH2-CD 3.69Å; W246-K250 HydrophobicContact CZ2-CD 3.86Å; W246-K250 HydrophobicContact CZ3-CD 4.18Å; W246-K250 VanDerWaalsContact O-CB 3.28Å; W246-K250 WeakPolarHBondContact O-CB 3.48Å; W246-K250 PolarHBondContact O-N 3Å
247I89.1Confident86.6Confident75 Ų7571.4 Ų71.439%0.38541%0.408SS..Hα-helixtrans-62.9-46.4175.4-67170.5000110.4C243 L244 R245 K250 L251C243-I247 WeakPolarHBondContact O-CG1 3.39Å; C243-I247 PolarHBondContact O-N 3.19Å; L244-I247 PolarHBondContact O-N 3Å; R245-I247 VanDerWaalsContact C-N 3.35Å; R245-I247 PolarHBondContact O-N 2.58Å; I247-K250 PolarHBondContact O-N 3.44Å; I247-L251 HydrophobicContact CG2-CD1 3.96Å; I247-L251 HydrophobicContact CG2-CG 4.35Å; I247-L251 WeakPolarHBondContact O-CB 3.2Å; I247-L251 WeakPolarHBondContact O-CG 3.08Å; I247-L251 PolarHBondContact O-N 2.97Å
248Q90.3Very high86.2Confident6 Ų669.7 Ų69.73%0.02839%0.386CS..Hα-helixtrans-61.2-47.1179.7-72.1175-43.500111.8L193 N238 L244 R245 K250 L251 Q252 L259L193-Q248 HydrophobicContact CD1-CB 4.07Å; L193-Q248 HydrophobicContact CD2-CB 4.12Å; L193-Q248 HydrophobicContact CD2-CG 4.27Å; N238-Q248 PolarHBondContact ND2-OE1 3.31Å; L244-Q248 HydrophobicContact CD1-CG 4.26Å; L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 2.71Å; R245-Q248 PolarHBondContact O-N 3.4Å; Q248-K250 VanDerWaalsContact C-N 3.33Å; Q248-K250 PolarHBondContact O-N 3.29Å; Q248-L251 PolarHBondContact O-N 3.13Å; Q248-Q252 VanDerWaalsContact O-CB 3.28Å; Q248-Q252 WeakPolarHBondContact O-CB 3.45Å; Q248-Q252 PolarHBondContact O-N 3.31Å; Q248-L259 PolarHBondContact NE2-O 3.44Å
249D89.4Confident85.9Confident60 Ų6073.7 Ų73.732%0.32141%0.407SS..Hα-helixtrans-64-39178.6-67.2-23.2000111.1R245 Q252 S253R245-D249 IonicContact CZ-OD1 3.78Å; R245-D249 IonicContact NE-OD1 3.49Å; R245-D249 PolarHBondContact NE-OD1 3.21Å; R245-D249 IonicContact NE-OD2 2.66Å; R245-D249 PolarHBondContact NE-OD2 2.84Å; R245-D249 IonicContact NH2-OD1 2.82Å; R245-D249 WeakPolarHBondContact O-CB 3.35Å; R245-D249 VanDerWaalsContact O-CG 3.25Å; R245-D249 PolarHBondContact O-N 3.48Å; D249-Q252 WeakPolarHBondContact O-CB 3.44Å; D249-Q252 PolarHBondContact O-N 3.01Å; D249-S253 PolarHBondContact O-N 2.99Å
250K87.2Confident85.8Confident106 Ų10670.5 Ų70.546%0.46139%0.387SS..Hα-helixtrans-67-45.4176.7-173.1173.8-176.1-179.90112.4W246 I247 Q248 Q252 S253 I254W246-K250 HydrophobicContact CH2-CD 3.69Å; W246-K250 HydrophobicContact CZ2-CD 3.86Å; W246-K250 HydrophobicContact CZ3-CD 4.18Å; W246-K250 VanDerWaalsContact O-CB 3.28Å; W246-K250 WeakPolarHBondContact O-CB 3.48Å; W246-K250 PolarHBondContact O-N 3Å; I247-K250 PolarHBondContact O-N 3.44Å; Q248-K250 VanDerWaalsContact C-N 3.33Å; Q248-K250 PolarHBondContact O-N 3.29Å; K250-Q252 VanDerWaalsContact C-N 3.28Å; K250-Q252 PolarHBondContact O-N 2.71Å; K250-S253 PolarHBondContact O-N 3.43Å; K250-S253 PolarHBondContact O-OG 3.21Å; K250-I254 HydrophobicContact CG-CD1 3.99Å; K250-I254 WeakPolarHBondContact O-CD1 3.26Å; K250-I254 VanDerWaalsContact O-CG1 3.31Å; K250-I254 WeakPolarHBondContact O-CG1 3.49Å; K250-I254 PolarHBondContact O-N 2.93Å
251L85.2Confident85.8Confident57 Ų5766.1 Ų66.130%0.29838%0.376SS..Hα-helixtrans-62.4-40.4175.9-73.1176.5000111I247 Q248 I254 M255 L259I247-L251 HydrophobicContact CG2-CD1 3.96Å; I247-L251 HydrophobicContact CG2-CG 4.35Å; I247-L251 WeakPolarHBondContact O-CB 3.2Å; I247-L251 WeakPolarHBondContact O-CG 3.08Å; I247-L251 PolarHBondContact O-N 2.97Å; Q248-L251 PolarHBondContact O-N 3.13Å; L251-I254 PolarHBondContact O-N 3.08Å; L251-M255 HydrophobicContact CD2-SD 4.2Å; L251-M255 WeakPolarHBondContact O-CB 3.5Å; L251-M255 PolarHBondContact O-N 3.22Å; L251-L259 HydrophobicContact CD1-CD1 3.96Å
252Q86.6Confident86Confident37 Ų3763.8 Ų63.817%0.17334%0.342CS..Hα-helixtrans-61-45.7174.9-176.2-165.638.900112.2Q248 D249 K250 I254 G256 I257Q248-Q252 VanDerWaalsContact O-CB 3.28Å; Q248-Q252 WeakPolarHBondContact O-CB 3.45Å; Q248-Q252 PolarHBondContact O-N 3.31Å; D249-Q252 WeakPolarHBondContact O-CB 3.44Å; D249-Q252 PolarHBondContact O-N 3.01Å; K250-Q252 VanDerWaalsContact C-N 3.28Å; K250-Q252 PolarHBondContact O-N 2.71Å; Q252-I254 PolarHBondContact O-N 2.56Å; Q252-G256 WeakPolarHBondContact O-CA 3.3Å; Q252-G256 PolarHBondContact O-N 2.76Å; Q252-I257 VanDerWaalsContact CA-O 3.26Å; Q252-I257 WeakPolarHBondContact CA-O 3.38Å; Q252-I257 PolarHBondContact N-O 2.87Å
253S84.1Confident86Confident99 Ų9965 Ų6569%0.69234%0.344SS*.Hα-helixtrans-65.4-29.3-178.495.70000112.7D249 K250D249-S253 PolarHBondContact O-N 2.99Å; K250-S253 PolarHBondContact O-N 3.43Å; K250-S253 PolarHBondContact O-OG 3.21Å
254I79.8Confident86Confident119 Ų11960.6 Ų60.661%0.6131%0.314SS*.Hα-helixtrans-86.2-46.4-178.5-63.9167.3000111.1K250 L251 Q252K250-I254 HydrophobicContact CG-CD1 3.99Å; K250-I254 WeakPolarHBondContact O-CD1 3.26Å; K250-I254 VanDerWaalsContact O-CG1 3.31Å; K250-I254 WeakPolarHBondContact O-CG1 3.49Å; K250-I254 PolarHBondContact O-N 2.93Å; L251-I254 PolarHBondContact O-N 3.08Å; Q252-I254 PolarHBondContact O-N 2.56Å
255M75.3Confident86.2Confident103 Ų10359.1 Ų59.151%0.50730%0.304SS..Hα-helixtrans-104.1-11.9-167.4-57.4-178.464.900113.4L251 I257L251-M255 HydrophobicContact CD2-SD 4.2Å; L251-M255 WeakPolarHBondContact O-CB 3.5Å; L251-M255 PolarHBondContact O-N 3.22Å; M255-I257 HydrophobicContact CB-CB 4.33Å; M255-I257 HydrophobicContact CB-CD1 4.38Å; M255-I257 HydrophobicContact CB-CG1 4.43Å; M255-I257 HydrophobicContact CE-CD1 4.13Å; M255-I257 PolarHBondContact O-N 2.87Å
256G77.1Confident86.1Confident34 Ų3459.1 Ų59.135%0.35131%0.307SS..SBendtrans68.53.8-169.200000113.9Q252Q252-G256 WeakPolarHBondContact O-CA 3.3Å; Q252-G256 PolarHBondContact O-N 2.76Å
257I76.9Confident86Confident35 Ų3554.9 Ų54.918%0.17930%0.295CS..  trans-103.1126.3-178.4-63.7164.3000109.7L143 L145 Q252 M255 L259L143-I257 HydrophobicContact CD2-CD1 4.03Å; L143-I257 HydrophobicContact CD2-CG1 3.28Å; L145-I257 HydrophobicContact CD2-CD1 3.45Å; L145-I257 VanDerWaalsContact CD2-CD1 3.45Å; L145-I257 HydrophobicContact CD2-CG1 4.44Å; Q252-I257 VanDerWaalsContact CA-O 3.26Å; Q252-I257 WeakPolarHBondContact CA-O 3.38Å; Q252-I257 PolarHBondContact N-O 2.87Å; M255-I257 HydrophobicContact CB-CB 4.33Å; M255-I257 HydrophobicContact CB-CD1 4.38Å; M255-I257 HydrophobicContact CB-CG1 4.43Å; M255-I257 HydrophobicContact CE-CD1 4.13Å; M255-I257 PolarHBondContact O-N 2.87Å; I257-L259 HydrophobicContact CG2-CD2 3.81Å; I257-L259 HydrophobicContact CG2-CG 4.18Å
258S80.6Confident85.9Confident21 Ų2158.9 Ų58.915%0.14731%0.31CS..  trans-85.9133.6161.751.40000110.4A189 P260A189-S258 WeakPolarHBondContact CA-OG 3.32Å; A189-S258 WeakPolarHBondContact CB-OG 3.19Å; A189-S258 WeakPolarHBondContact O-CB 3.38Å; A189-S258 PolarHBondContact O-OG 2.74Å; A189-S258 VanDerWaalsContact O-OG 3.08Å; S258-P260 WeakPolarHBondContact O-CD 3.43Å
259L83.4Confident85.8Confident93 Ų9359.6 Ų59.649%0.48731%0.313SS..  trans-110.876.9172.5-64.6177.7000110.2Q248 L251 I257 L261Q248-L259 PolarHBondContact NE2-O 3.44Å; L251-L259 HydrophobicContact CD1-CD1 3.96Å; I257-L259 HydrophobicContact CG2-CD2 3.81Å; I257-L259 HydrophobicContact CG2-CG 4.18Å; L259-L261 PolarHBondContact O-N 2.88Å
260P85.9Confident85.7Confident17 Ų1759.6 Ų59.611%0.1131%0.309CS..  trans-61.9132.3171.924.8-30.7000109.4V113 L193 Q235 S258 F262V113-P260 HydrophobicContact CG1-CG 4Å; L193-P260 HydrophobicContact CD2-CB 4.3Å; Q235-P260 VanDerWaalsContact OE1-CB 3.24Å; S258-P260 WeakPolarHBondContact O-CD 3.43Å; P260-F262 HydrophobicContact CB-CD1 4.3Å; P260-F262 HydrophobicContact CG-CD1 4.04Å; P260-F262 HydrophobicContact CG-CE1 4.49Å; P260-F262 VanDerWaalsContact O-CD1 3.29Å; P260-F262 WeakPolarHBondContact O-CD1 3.33Å; P260-F262 PolarHBondContact O-N 2.84Å
261L89.3Confident85.4Confident86 Ų8655.4 Ų55.445%0.4529%0.293SS..  trans-86.789.1170.8-64-173.8000107.7Q235 V236 L244 L259Q235-L261 WeakPolarHBondContact CA-O 3.16Å; V236-L261 HydrophobicContact CB-CB 4.05Å; V236-L261 HydrophobicContact CG2-CB 3.98Å; V236-L261 PolarHBondContact N-O 2.84Å; L244-L261 HydrophobicContact CD1-CD1 3.72Å; L244-L261 HydrophobicContact CD1-CG 4.44Å; L244-L261 HydrophobicContact CD2-CD1 4.04Å; L259-L261 PolarHBondContact O-N 2.88Å
262F91.3Very high85.4Confident37 Ų3758 Ų5816%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-106.2155.4-177.665.3-93.7000112.3L29 V113 L114 F233 D234 Q235 P260 V274L29-F262 HydrophobicContact CD1-CZ 4.2Å; L29-F262 HydrophobicContact CD2-CZ 4.48Å; V113-F262 HydrophobicContact CG1-CB 4.19Å; V113-F262 HydrophobicContact CG1-CD1 3.3Å; V113-F262 HydrophobicContact CG1-CD2 4.26Å; V113-F262 HydrophobicContact CG1-CE1 3.57Å; V113-F262 HydrophobicContact CG1-CE2 4.47Å; V113-F262 HydrophobicContact CG1-CG 3.68Å; V113-F262 HydrophobicContact CG1-CZ 4.15Å; V113-F262 HydrophobicContact CG2-CB 4.47Å; L114-F262 HydrophobicContact CD2-CE1 4.48Å; L114-F262 HydrophobicContact CD2-CZ 4.28Å; F233-F262 HydrophobicContact CB-CB 4.19Å; F233-F262 AromaticContact CD1-CD2 3.42Å; F233-F262 HydrophobicContact CD1-CD2 3.42Å; F233-F262 VanDerWaalsContact CD1-CD2 3.42Å; F233-F262 AromaticContact CD1-CE2 3.92Å; F233-F262 HydrophobicContact CD1-CE2 3.92Å; F233-F262 HydrophobicContact CD1-CG 4.31Å; F233-F262 AromaticContact CE1-CD2 3.67Å; F233-F262 HydrophobicContact CE1-CD2 3.67Å; F233-F262 AromaticContact CE1-CE2 3.63Å; F233-F262 HydrophobicContact CE1-CE2 3.63Å; F233-F262 HydrophobicContact CG-CD2 4.02Å; F233-F262 HydrophobicContact CZ-CD2 4.44Å; F233-F262 HydrophobicContact CZ-CE2 4.18Å; D234-F262 CarbonylContact O-C 3.6Å; D234-F262 WeakPolarHBondContact O-CA 3.34Å; D234-F262 WeakPolarHBondContact O-CB 3.47Å; Q235-F262 HydrophobicContact CG-CB 3.83Å; P260-F262 HydrophobicContact CB-CD1 4.3Å; P260-F262 HydrophobicContact CG-CD1 4.04Å; P260-F262 HydrophobicContact CG-CE1 4.49Å; P260-F262 VanDerWaalsContact O-CD1 3.29Å; P260-F262 WeakPolarHBondContact O-CD1 3.33Å; P260-F262 PolarHBondContact O-N 2.84Å; F262-V274 HydrophobicContact CE2-CB 4.28Å; F262-V274 HydrophobicContact CE2-CG1 4.43Å
263H91.9Very high85.6Confident74 Ų7457.3 Ų57.334%0.34331%0.305SS..EExtended strand (participates in β ladder)trans-143.3158.8167.568.275.5000110.3D234 G273D234-H263 WeakPolarHBondContact CB-CE1 3.45Å; D234-H263 PolarHBondContact N-O 2.63Å; D234-H263 PolarHBondContact O-N 3.47Å; D234-H263 VanDerWaalsContact O-O 3.12Å; D234-H263 IonicContact OD2-CE1 2.73Å; D234-H263 IonicContact OD2-ND1 3.56Å; H263-G273 CarbonylContact C-O 3.37Å; H263-G273 WeakPolarHBondContact CA-O 3.06Å
264A92.4Very high86Confident0 Ų056 Ų560%029%0.293CS..  trans-149.1-113.5169.800000107.8F233 F272 G273 I275 Y277F233-A264 HydrophobicContact CD1-CB 3.75Å; F233-A264 HydrophobicContact CE1-CB 4.3Å; A264-F272 CarbonylContact O-C 3.34Å; A264-F272 WeakPolarHBondContact O-CA 3.32Å; A264-G273 PolarHBondContact N-O 2.92Å; A264-G273 PolarHBondContact O-N 3.1Å; A264-I275 WeakPolarHBondContact CB-O 3.39Å; A264-Y277 VanDerWaalsContact CA-CZ 3.48Å; A264-Y277 HydrophobicContact CB-CD1 4.03Å; A264-Y277 HydrophobicContact CB-CD2 4.03Å; A264-Y277 HydrophobicContact CB-CE1 3.87Å; A264-Y277 HydrophobicContact CB-CE2 3.89Å; A264-Y277 HydrophobicContact CB-CG 4.1Å
265R92.6Very high86.7Confident20 Ų2050.5 Ų50.58%0.07527%0.265CS..BIsolated β-bridgetrans-111.9165.8-175.850.9171.1-73.51610112.7M18 Y87 Y270 F272 G273 V274 I275 Y277M18-R265 VanDerWaalsContact CE-CZ 3.49Å; Y87-R265 WeakPolarHBondContact OH-CD 3.2Å; R265-Y270 VanDerWaalsContact CZ-CD1 3.42Å; R265-Y270 VanDerWaalsContact CZ-CE1 3.48Å; R265-Y270 VanDerWaalsContact NH1-CE1 3.35Å; R265-F272 CarbonylContact C-O 3.51Å; R265-F272 VanDerWaalsContact C-O 3.29Å; R265-G273 CarbonylContact O-C 3.46Å; R265-G273 WeakPolarHBondContact O-CA 3.1Å; R265-V274 PolarHBondContact O-N 3.47Å; R265-I275 HydrophobicContact CG-CB 4.2Å; R265-I275 HydrophobicContact CG-CG2 4.34Å; R265-I275 WeakPolarHBondContact CG-O 3.49Å; R265-I275 PolarHBondContact N-O 2.73Å; R265-I275 WeakPolarHBondContact O-CB 3.26Å; R265-I275 PolarHBondContact O-N 3.21Å; R265-Y277 HydrophobicContact CB-CD1 4.43Å; R265-Y277 HydrophobicContact CB-CE1 4.4Å; R265-Y277 HydrophobicContact CG-CD1 4.23Å
266G90.1Very high87.7Confident7 Ų745.6 Ų45.67%0.07224%0.24CC..  trans-88.5176.6172.600000112.5Q269 F272G266-Q269 CarbonylContact C-O 3.56Å; G266-Q269 VanDerWaalsContact CA-O 3.31Å; G266-Q269 WeakPolarHBondContact CA-O 3.47Å; G266-Q269 PolarHBondContact N-O 2.83Å; G266-Q269 VanDerWaalsContact O-O 3.06Å; G266-F272 WeakPolarHBondContact CA-O 3.45Å; G266-F272 PolarHBondContact N-O 2.91Å
267I88.4Confident88.6Confident66 Ų6646.3 Ų46.334%0.33823%0.233SC..SBendtrans-67.9-48.2173.7-56.9172.5000109.6L22 I275L22-I267 HydrophobicContact CD1-CD1 3.7Å; L22-I267 HydrophobicContact CD1-CG1 4.06Å; L22-I267 HydrophobicContact CD2-CD1 3.93Å; L22-I267 HydrophobicContact CD2-CG1 4.45Å; L22-I267 HydrophobicContact CG-CD1 4.49Å; I267-I275 HydrophobicContact CG1-CD1 4.4Å; I267-I275 HydrophobicContact CG1-CG1 4.1Å
268F86.9Confident89.5Confident160 Ų16047 Ų4770%0.70223%0.233SC*.SBendtrans-109.64.6-175.2-53-64.5000114.5A6A6-F268 WeakPolarHBondContact CB-O 3.47Å; A6-F268 PolarHBondContact N-O 2.82Å
269Q88.4Confident90.3Very high21 Ų2150.4 Ų50.410%0.09825%0.245CC..BIsolated β-bridgetrans-148.5163.7178.152.772.910.100111.3I3 Q4 F5 G266 F272I3-Q269 HydrophobicContact CG2-CB 3.85Å; I3-Q269 HydrophobicContact CG2-CG 4.01Å; Q4-Q269 CarbonylContact O-C 3.52Å; Q4-Q269 VanDerWaalsContact O-CA 3.29Å; Q4-Q269 WeakPolarHBondContact O-CA 3.2Å; Q4-Q269 VanDerWaalsContact O-CB 3.31Å; Q4-Q269 WeakPolarHBondContact O-CB 3.44Å; F5-Q269 HydrophobicContact CD1-CB 4.05Å; F5-Q269 HydrophobicContact CE1-CB 4.49Å; G266-Q269 CarbonylContact C-O 3.56Å; G266-Q269 VanDerWaalsContact CA-O 3.31Å; G266-Q269 WeakPolarHBondContact CA-O 3.47Å; G266-Q269 PolarHBondContact N-O 2.83Å; G266-Q269 VanDerWaalsContact O-O 3.06Å; Q269-F272 PolarHBondContact NE2-O 3.49Å; Q269-F272 PolarHBondContact OE1-O 2.94Å
270Y85.6Confident91Very high60 Ų6049.4 Ų49.424%0.23524%0.244CC..SBendtrans-107.33-171.1-55.1-30.7000114.8Q4 A6 P7 R265Q4-Y270 HydrophobicContact CG-CD2 4.09Å; Q4-Y270 PolarHBondContact O-N 2.58Å; A6-Y270 HydrophobicContact CB-CE1 3.76Å; P7-Y270 WeakPolarHBondContact CD-OH 3.36Å; R265-Y270 VanDerWaalsContact CZ-CD1 3.42Å; R265-Y270 VanDerWaalsContact CZ-CE1 3.48Å; R265-Y270 VanDerWaalsContact NH1-CE1 3.35Å
271S81.9Confident91.6Very high18 Ų1848.6 Ų48.613%0.12624%0.239CC..SBendtrans-93-42.2-169.3-60.80000114.2M1 K2 I3 Q4M1-S271 WeakPolarHBondContact CE-O 2.96Å; K2-S271 PolarHBondContact O-OG 3.27Å; I3-S271 WeakPolarHBondContact CA-OG 3.32Å; Q4-S271 PolarHBondContact N-OG 3.41Å
272F86Confident92Very high111 Ų11145.3 Ų45.349%0.48722%0.222SC..SBendtrans-153.7153.4-177.967-89.2000112.3M1 I3 A264 R265 G266 Q269M1-F272 HydrophobicContact CE-CB 4.33Å; I3-F272 HydrophobicContact CD1-CE1 4.17Å; I3-F272 HydrophobicContact CG1-CE1 4.22Å; A264-F272 CarbonylContact O-C 3.34Å; A264-F272 WeakPolarHBondContact O-CA 3.32Å; R265-F272 CarbonylContact C-O 3.51Å; R265-F272 VanDerWaalsContact C-O 3.29Å; G266-F272 WeakPolarHBondContact CA-O 3.45Å; G266-F272 PolarHBondContact N-O 2.91Å; Q269-F272 PolarHBondContact NE2-O 3.49Å; Q269-F272 PolarHBondContact OE1-O 2.94Å
273G90.4Very high92.4Very high22 Ų2243.5 Ų43.523%0.22721%0.214CC..SBendtrans145.9-167.217500000112.1H263 A264 R265H263-G273 CarbonylContact C-O 3.37Å; H263-G273 WeakPolarHBondContact CA-O 3.06Å; A264-G273 PolarHBondContact N-O 2.92Å; A264-G273 PolarHBondContact O-N 3.1Å; R265-G273 CarbonylContact O-C 3.46Å; R265-G273 WeakPolarHBondContact O-CA 3.1Å
274V91.8Very high92.7Very high73 Ų7340 Ų4044%0.44220%0.198SC..SBendtrans-108.24.8-176.4-61.70000113.2V25 F262 R265 P276V25-V274 HydrophobicContact CG1-CG2 4.15Å; F262-V274 HydrophobicContact CE2-CB 4.28Å; F262-V274 HydrophobicContact CE2-CG1 4.43Å; R265-V274 PolarHBondContact O-N 3.47Å; V274-P276 WeakPolarHBondContact O-CD 3.19Å
275I95.5Very high93Very high3 Ų340 Ų402%0.01520%0.198CC..BIsolated β-bridgetrans-84.6122.7176.5-54.3-55.9000108.1M18 V21 L22 V25 A264 R265 I267M18-I275 HydrophobicContact CE-CG2 4Å; M18-I275 HydrophobicContact SD-CG2 3.75Å; V21-I275 HydrophobicContact CG1-CG2 3.92Å; L22-I275 HydrophobicContact CB-CD1 4.43Å; L22-I275 HydrophobicContact CD1-CD1 3.78Å; V25-I275 HydrophobicContact CB-CD1 4.44Å; V25-I275 HydrophobicContact CG1-CD1 4.48Å; V25-I275 HydrophobicContact CG2-CD1 4.42Å; A264-I275 WeakPolarHBondContact CB-O 3.39Å; R265-I275 HydrophobicContact CG-CB 4.2Å; R265-I275 HydrophobicContact CG-CG2 4.34Å; R265-I275 WeakPolarHBondContact CG-O 3.49Å; R265-I275 PolarHBondContact N-O 2.73Å; R265-I275 WeakPolarHBondContact O-CB 3.26Å; R265-I275 PolarHBondContact O-N 3.21Å; I267-I275 HydrophobicContact CG1-CD1 4.4Å; I267-I275 HydrophobicContact CG1-CG1 4.1Å
276P95.7Very high93.3Very high0 Ų039.1 Ų39.10%020%0.195CC..PPolyproline II helixtrans-61.2155.4-178.115.9-26.8000113.7V21 V25 Y87 F88 L232 F233 V274V21-P276 HydrophobicContact CG1-CG 3.84Å; V25-P276 HydrophobicContact CG2-CG 4.43Å; Y87-P276 WeakPolarHBondContact CE1-O 3.16Å; Y87-P276 PolarHBondContact OH-O 2.82Å; F88-P276 HydrophobicContact CE1-CB 3.86Å; F88-P276 HydrophobicContact CE1-CG 3.89Å; F88-P276 HydrophobicContact CZ-CB 4.05Å; F88-P276 HydrophobicContact CZ-CG 3.55Å; L232-P276 HydrophobicContact CB-CB 3.98Å; L232-P276 CarbonylContact O-C 3.5Å; L232-P276 VanDerWaalsContact O-CA 3.29Å; L232-P276 WeakPolarHBondContact O-CA 3.27Å; L232-P276 WeakPolarHBondContact O-CB 3.34Å; F233-P276 HydrophobicContact CD1-CB 4.28Å; F233-P276 HydrophobicContact CD2-CB 4.38Å; F233-P276 HydrophobicContact CE1-CB 3.64Å; F233-P276 HydrophobicContact CE1-CG 4.1Å; F233-P276 HydrophobicContact CE2-CB 3.76Å; F233-P276 HydrophobicContact CE2-CG 4.28Å; F233-P276 HydrophobicContact CZ-CB 3.36Å; F233-P276 HydrophobicContact CZ-CG 3.62Å; V274-P276 WeakPolarHBondContact O-CD 3.19Å
277Y96.5Very high93.7Very high48 Ų4845.5 Ų45.519%0.18822%0.217CC..PPolyproline II helixtrans-63.5150.1175.3-63.1-54.5000112.2F88 L232 D234 A264 R265 K279F88-Y277 WeakPolarHBondContact CE1-O 3.48Å; L232-Y277 WeakPolarHBondContact O-CD2 3.45Å; L232-Y277 PolarHBondContact O-N 3.42Å; D234-Y277 VanDerWaalsContact OD2-CE2 3.26Å; D234-Y277 WeakPolarHBondContact OD2-CE2 3.42Å; D234-Y277 VanDerWaalsContact OD2-CZ 3.31Å; D234-Y277 PolarHBondContact OD2-OH 3.37Å; A264-Y277 VanDerWaalsContact CA-CZ 3.48Å; A264-Y277 HydrophobicContact CB-CD1 4.03Å; A264-Y277 HydrophobicContact CB-CD2 4.03Å; A264-Y277 HydrophobicContact CB-CE1 3.87Å; A264-Y277 HydrophobicContact CB-CE2 3.89Å; A264-Y277 HydrophobicContact CB-CG 4.1Å; R265-Y277 HydrophobicContact CB-CD1 4.43Å; R265-Y277 HydrophobicContact CB-CE1 4.4Å; R265-Y277 HydrophobicContact CG-CD1 4.23Å; Y277-K279 VanDerWaalsContact C-N 3.29Å; Y277-K279 PolarHBondContact O-N 3.22Å
278R95.5Very high94.1Very high50 Ų5044.5 Ų44.519%0.18922%0.215CC..  trans-80.477.2174.7-73-177.7165.6174.5-4.7109.7R14 Y87R14-R278 VanDerWaalsContact NE-NH1 3.11Å; R14-R278 VanDerWaalsContact NH1-NH1 3.11Å; R14-R278 PolarHBondContact O-NH2 3.19Å; Y87-R278 HydrophobicContact CD1-CG 3.87Å; Y87-R278 HydrophobicContact CD2-CG 4Å; Y87-R278 VanDerWaalsContact CD2-NE 3.26Å; Y87-R278 HydrophobicContact CE1-CB 4.32Å; Y87-R278 HydrophobicContact CE1-CG 3.44Å; Y87-R278 VanDerWaalsContact CE1-CG 3.44Å; Y87-R278 HydrophobicContact CE2-CG 3.58Å; Y87-R278 HydrophobicContact CG-CG 4.13Å
279K96.8Very high94.7Very high92 Ų9237.4 Ų37.440%0.418%0.184SC..  trans-116.5144.9-179.9-65.1-73-170160.70110.4F88 E231 L232 Y277F88-K279 CarbonylContact C-O 3.6Å; F88-K279 WeakPolarHBondContact CA-O 3.31Å; E231-K279 HydrophobicContact CB-CB 4.11Å; E231-K279 HydrophobicContact CB-CG 4.05Å; L232-K279 HydrophobicContact CD2-CB 4.12Å; Y277-K279 VanDerWaalsContact C-N 3.29Å; Y277-K279 PolarHBondContact O-N 3.22Å
280P97.7Very high95.2Very high72 Ų7245.2 Ų45.247%0.46821%0.212SC..  trans-63.7136.1176.526.5-32.7000111.1F88F88-P280 CarbonylContact O-C 3.5Å; F88-P280 WeakPolarHBondContact O-CA 3.4Å
281I98.5Very high95.8Very high0 Ų042.8 Ų42.80%020%0.204CC..  trans-114.6123171.1-55.3170.1000108.9F88 V90 K91 A116 S226 F227 L232F88-I281 HydrophobicContact CB-CD1 3.84Å; F88-I281 HydrophobicContact CB-CG1 4.14Å; F88-I281 HydrophobicContact CD1-CD1 4.12Å; F88-I281 HydrophobicContact CD2-CD1 4.48Å; F88-I281 HydrophobicContact CG-CD1 3.93Å; F88-I281 PolarHBondContact O-N 2.81Å; V90-I281 CarbonylContact C-O 3.55Å; V90-I281 VanDerWaalsContact CA-O 3.27Å; V90-I281 WeakPolarHBondContact CA-O 3.29Å; V90-I281 HydrophobicContact CG1-CB 4.29Å; V90-I281 HydrophobicContact CG1-CG2 4.4Å; V90-I281 HydrophobicContact CG2-CB 4.13Å; V90-I281 HydrophobicContact CG2-CD1 4.18Å; K91-I281 PolarHBondContact N-O 3.4Å; A116-I281 HydrophobicContact CB-CD1 4.19Å; S226-I281 VanDerWaalsContact OG-CG2 3.31Å; S226-I281 WeakPolarHBondContact OG-CG2 3.12Å; F227-I281 CarbonylContact O-C 3.55Å; F227-I281 WeakPolarHBondContact O-CA 3.49Å; L232-I281 HydrophobicContact CD1-CD1 3.75Å; L232-I281 HydrophobicContact CD2-CD1 4.08Å; L232-I281 HydrophobicContact CD2-CG1 4.12Å; L232-I281 HydrophobicContact CG-CD1 4.42Å
282N98.5Very high96.5Very high17 Ų1748.7 Ų48.79%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-122.9106.3177.5-57.5-88.9000109.1F227 Y324F227-N282 HydrophobicContact CB-CB 4.42Å; F227-N282 PolarHBondContact N-O 3.49Å; F227-N282 PolarHBondContact O-N 2.82Å; N282-Y324 HydrophobicContact CB-CD1 3.84Å; N282-Y324 HydrophobicContact CB-CE1 3.43Å; N282-Y324 VanDerWaalsContact CB-CE1 3.43Å; N282-Y324 HydrophobicContact CB-CE2 4.12Å; N282-Y324 HydrophobicContact CB-CG 4.37Å
283T98.8Very high97Very high0 Ų049.4 Ų49.40%023%0.232CC..EExtended strand (participates in β ladder)trans-98.7118.5-179.6-53.90000109.5K91 L92 V93 F108 N121 F122 V224 F225 S226K91-T283 PolarHBondContact O-N 2.86Å; L92-T283 CarbonylContact C-O 3.47Å; L92-T283 WeakPolarHBondContact CA-O 3.41Å; L92-T283 HydrophobicContact CD1-CG2 4.09Å; V93-T283 PolarHBondContact N-O 3.02Å; F108-T283 HydrophobicContact CD2-CG2 4.33Å; F108-T283 HydrophobicContact CE2-CG2 3.87Å; N121-T283 WeakPolarHBondContact ND2-CB 3.44Å; N121-T283 PolarHBondContact ND2-OG1 2.94Å; F122-T283 HydrophobicContact CE2-CG2 4.45Å; F122-T283 HydrophobicContact CZ-CG2 4.36Å; V224-T283 HydrophobicContact CG1-CG2 3.4Å; V224-T283 VanDerWaalsContact CG1-CG2 3.4Å; F225-T283 CarbonylContact O-C 3.52Å; F225-T283 WeakPolarHBondContact O-CA 3.45Å; S226-T283 PolarHBondContact OG-OG1 3.49Å
284V98.8Very high97.3Very high0 Ų050.7 Ų50.70%023%0.234CC..EExtended strand (participates in β ladder)trans-102.5121.7178.6-169.80000108.6V93 T95 V224 F225 F227 L316 H320 Y324V93-V284 HydrophobicContact CB-CB 4.49Å; V93-V284 HydrophobicContact CB-CG1 4.35Å; V93-V284 HydrophobicContact CB-CG2 4.24Å; V93-V284 HydrophobicContact CG1-CG1 4.32Å; T95-V284 HydrophobicContact CG2-CG1 3.56Å; V224-V284 WeakPolarHBondContact CA-O 3.45Å; F225-V284 PolarHBondContact N-O 2.93Å; F225-V284 PolarHBondContact O-N 3.2Å; F227-V284 HydrophobicContact CD2-CG2 4.24Å; F227-V284 HydrophobicContact CE2-CG2 4.06Å; V284-L316 HydrophobicContact CG1-CD1 3.73Å; V284-L316 HydrophobicContact CG1-CG 4.24Å; V284-H320 HydrophobicContact CG2-CB 4.41Å; V284-Y324 HydrophobicContact CG2-CE2 3.98Å
285V98.9Very high97.5Very high1 Ų153.5 Ų53.51%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-95114.2174.1-179.40000107.7L92 V93 T95 F122 F133 V222 V224L92-V285 HydrophobicContact CD1-CG2 3.68Å; V93-V285 PolarHBondContact O-N 3.37Å; T95-V285 WeakPolarHBondContact CG2-O 3.14Å; T95-V285 PolarHBondContact N-O 3.29Å; T95-V285 VanDerWaalsContact N-O 3.15Å; T95-V285 PolarHBondContact OG1-O 3.31Å; F122-V285 HydrophobicContact CZ-CG2 4.37Å; F133-V285 HydrophobicContact CE1-CG1 4.37Å; F133-V285 HydrophobicContact CE2-CB 4.46Å; F133-V285 HydrophobicContact CE2-CG1 4.42Å; F133-V285 HydrophobicContact CE2-CG2 4.22Å; F133-V285 HydrophobicContact CZ-CB 3.91Å; F133-V285 HydrophobicContact CZ-CG1 3.74Å; F133-V285 HydrophobicContact CZ-CG2 4.17Å; V222-V285 HydrophobicContact CG1-CG1 3.63Å; V224-V285 HydrophobicContact CG1-CG2 4.31Å; V224-V285 HydrophobicContact CG2-CB 4.46Å; V224-V285 HydrophobicContact CG2-CG1 4.23Å; V224-V285 HydrophobicContact CG2-CG2 4.24Å
286G98.6Very high97.5Very high1 Ų162.1 Ų62.11%0.0128%0.279CS..  trans-72.6-176.5-178.100000114.2T95 V222 P223T95-G286 VanDerWaalsContact OG1-C 3.26Å; T95-G286 WeakPolarHBondContact OG1-CA 3.25Å; V222-G286 VanDerWaalsContact CG1-O 3.29Å; V222-G286 WeakPolarHBondContact CG1-O 3.44Å; P223-G286 WeakPolarHBondContact O-CA 3.46Å; P223-G286 PolarHBondContact O-N 3.48Å
287R98.1Very high97.5Very high141 Ų14162.8 Ų62.853%0.53228%0.284SS..PPolyproline II helixtrans-74.9147.3177.566.1-172.6-156.3127.32.8111.3T95 A96 P223 E312T95-R287 PolarHBondContact OG1-N 3.43Å; A96-R287 HydrophobicContact CB-CB 4.08Å; P223-R287 WeakPolarHBondContact CD-O 3.14Å; R287-E312 WeakPolarHBondContact CD-OE2 3.43Å; R287-E312 WeakPolarHBondContact CG-OE2 3.32Å; R287-E312 IonicContact CZ-OE1 2.97Å; R287-E312 IonicContact CZ-OE2 3.67Å; R287-E312 IonicContact NE-OE1 2.74Å; R287-E312 PolarHBondContact NE-OE1 3.41Å; R287-E312 IonicContact NE-OE2 3.64Å; R287-E312 PolarHBondContact NE-OE2 3.47Å; R287-E312 IonicContact NH2-OE1 2.58Å; R287-E312 PolarHBondContact NH2-OE1 3.31Å; R287-E312 IonicContact NH2-OE2 3.69Å
288P98.3Very high97.6Very high45 Ų4563.6 Ų63.629%0.29229%0.294SS..PPolyproline II helixtrans-72.6131.8179.129.6-34000111.3L98 Y104 V222L98-P288 HydrophobicContact CD2-CB 3.89Å; L98-P288 HydrophobicContact CD2-CG 3.91Å; Y104-P288 HydrophobicContact CE1-CB 3.96Å; V222-P288 HydrophobicContact CG2-CB 4.23Å
289I98.8Very high97.6Very high10 Ų1066.7 Ų66.75%0.05131%0.311CS..BIsolated β-bridgetrans-89.4116.6168.5-55171.2000106.9H220 L221 V291 L305 L308 Y309 E312H220-I289 WeakPolarHBondContact CA-O 3.26Å; H220-I289 WeakPolarHBondContact CB-O 3.28Å; L221-I289 HydrophobicContact CB-CB 4.2Å; L221-I289 PolarHBondContact N-O 3.3Å; L221-I289 VanDerWaalsContact N-O 3.07Å; L221-I289 PolarHBondContact O-N 3.2Å; I289-V291 PolarHBondContact O-N 2.84Å; I289-L305 HydrophobicContact CG2-CD1 3.8Å; I289-L308 HydrophobicContact CG2-CD2 3.69Å; I289-L308 HydrophobicContact CG2-CG 4.24Å; I289-Y309 HydrophobicContact CD1-CD2 3.99Å; I289-Y309 HydrophobicContact CD1-CG 4.48Å; I289-E312 HydrophobicContact CD1-CB 3.99Å; I289-E312 HydrophobicContact CD1-CG 3.83Å; I289-E312 HydrophobicContact CG1-CG 4.12Å
290R98.3Very high97.7Very high186 Ų18668.9 Ų68.970%0.70232%0.322SS*.PPolyproline II helixtrans-65.2131.1177.4179.2174.5168.4164-6109.2E292R290-E292 IonicContact NH2-OE1 2.58Å
291V98.2Very high97.7Very high9 Ų969.3 Ų69.36%0.05532%0.318CS..  trans-119130.8177.3179.80000108.4A214 M215 A219 H220 L221 I289 L305A214-V291 HydrophobicContact CB-CG1 4.37Å; A214-V291 HydrophobicContact CB-CG2 4.35Å; M215-V291 HydrophobicContact CB-CG1 4.31Å; M215-V291 HydrophobicContact CG-CG1 3.82Å; A219-V291 WeakPolarHBondContact O-CB 3.49Å; A219-V291 WeakPolarHBondContact O-CG2 3.37Å; H220-V291 PolarHBondContact ND1-N 2.92Å; L221-V291 HydrophobicContact CB-CG2 4.49Å; L221-V291 HydrophobicContact CD1-CG2 4.37Å; L221-V291 HydrophobicContact CG-CG2 4Å; I289-V291 PolarHBondContact O-N 2.84Å; V291-L305 HydrophobicContact CG1-CD2 4.07Å; V291-L305 HydrophobicContact CG2-CD1 4.39Å; V291-L305 HydrophobicContact CG2-CD2 3.92Å
292E96.6Very high97.6Very high142 Ų14269.6 Ų69.666%0.66432%0.319SS*.  trans-89138.7171.6-58.2-161.8152.600109.6R290 N294R290-E292 IonicContact NH2-OE1 2.58Å; E292-N294 PolarHBondContact O-N 2.91Å
293K97.2Very high97.6Very high126 Ų12671.8 Ų71.855%0.54833%0.331SS..  trans-70.4119.5-177-171.8-174.9174.8-156.20109.4M215 E216 E295M215-K293 CarbonylContact O-C 3.57Å; M215-K293 VanDerWaalsContact O-CA 3.27Å; M215-K293 WeakPolarHBondContact O-CA 3.49Å; E216-K293 WeakPolarHBondContact O-CE 3.49Å; K293-E295 WeakPolarHBondContact CE-OE1 3.43Å; K293-E295 IonicContact NZ-OE1 3.99Å; K293-E295 PolarHBondContact NZ-OE1 3.31Å
294N97.4Very high97.6Very high48 Ų4874.6 Ų74.626%0.25736%0.355SS..  trans-136.5116.6169.3-173.5-8.2000108.8M215 E216 E292 K296 P297 E301M215-N294 CarbonylContact C-O 3.37Å; M215-N294 VanDerWaalsContact C-O 3.28Å; M215-N294 HydrophobicContact CE-CB 4.29Å; M215-N294 PolarHBondContact O-N 3.24Å; E216-N294 WeakPolarHBondContact CA-O 3.37Å; E216-N294 PolarHBondContact N-O 2.97Å; E292-N294 PolarHBondContact O-N 2.91Å; N294-K296 VanDerWaalsContact C-N 3.27Å; N294-K296 PolarHBondContact O-N 3.39Å; N294-K296 VanDerWaalsContact OD1-C 3.27Å; N294-K296 PolarHBondContact OD1-N 3.25Å; N294-K296 PolarHBondContact OD1-O 2.79Å; N294-P297 HydrophobicContact CB-CB 4.46Å; N294-P297 WeakPolarHBondContact ND2-CA 3.21Å; N294-P297 WeakPolarHBondContact O-CD 3.23Å; N294-E301 PolarHBondContact ND2-OE2 2.81Å
295E94.6Very high97.6Very high132 Ų13275.6 Ų75.662%0.61736%0.36SS*.SBendtrans-74.6-18.9-178.6-64.6-172.7177.400113K293K293-E295 WeakPolarHBondContact CE-OE1 3.43Å; K293-E295 IonicContact NZ-OE1 3.99Å; K293-E295 PolarHBondContact NZ-OE1 3.31Å
296K95.8Very high97.5Very high184 Ų18476.2 Ų76.280%0.836%0.363SS*.SBendtrans-136.967.4179.4-64.5-178.2-177.9177.20109.2N294N294-K296 VanDerWaalsContact C-N 3.27Å; N294-K296 PolarHBondContact O-N 3.39Å; N294-K296 VanDerWaalsContact OD1-C 3.27Å; N294-K296 PolarHBondContact OD1-N 3.25Å; N294-K296 PolarHBondContact OD1-O 2.79Å
297P96.8Very high97.5Very high15 Ų1581.6 Ų81.610%0.09739%0.388CS..  trans-64.6143.4-179.731.2-35.7000110.6K212 M215 N294 E301 L302K212-P297 HydrophobicContact CG-CG 4.24Å; M215-P297 HydrophobicContact CB-CB 4.41Å; M215-P297 HydrophobicContact CB-CG 4.32Å; M215-P297 HydrophobicContact CE-CB 3.44Å; M215-P297 VanDerWaalsContact CE-CB 3.44Å; M215-P297 HydrophobicContact CE-CG 4.49Å; M215-P297 HydrophobicContact SD-CB 3.56Å; M215-P297 VanDerWaalsContact SD-CB 3.56Å; M215-P297 HydrophobicContact SD-CG 4.1Å; N294-P297 HydrophobicContact CB-CB 4.46Å; N294-P297 WeakPolarHBondContact ND2-CA 3.21Å; N294-P297 WeakPolarHBondContact O-CD 3.23Å; P297-E301 VanDerWaalsContact CA-OE2 3.28Å; P297-E301 WeakPolarHBondContact CA-OE2 3.22Å; P297-L302 HydrophobicContact CB-CD2 4.2Å; P297-L302 HydrophobicContact CB-CG 4.06Å; P297-L302 HydrophobicContact CG-CD1 4.22Å; P297-L302 HydrophobicContact CG-CD2 3.88Å; P297-L302 HydrophobicContact CG-CG 4.01Å
298T97.4Very high97.6Very high64 Ų6478 Ų7839%0.39338%0.379SS..  trans-73.7162.5172.382.60000110E300 E301 L302T298-E300 VanDerWaalsContact CB-OE2 3.23Å; T298-E300 WeakPolarHBondContact CB-OE2 3.27Å; T298-E300 PolarHBondContact O-N 3.49Å; T298-E300 PolarHBondContact OG1-N 2.88Å; T298-E300 PolarHBondContact OG1-OE2 3.49Å; T298-E301 PolarHBondContact N-OE2 2.89Å; T298-E301 PolarHBondContact O-N 3.07Å; T298-E301 PolarHBondContact OG1-N 3.1Å; T298-L302 WeakPolarHBondContact O-CG 3.38Å; T298-L302 PolarHBondContact O-N 3.27Å
299E96.8Very high97.6Very high116 Ų11675.9 Ų75.954%0.54237%0.365SS..Hα-helixtrans-62.3-35.5176-68.6-66.6140.200110.8E301 L302 D303E299-E301 PolarHBondContact O-N 2.89Å; E299-L302 PolarHBondContact O-N 3.45Å; E299-D303 VanDerWaalsContact O-CB 3.28Å; E299-D303 WeakPolarHBondContact O-CB 3.31Å; E299-D303 PolarHBondContact O-N 2.66Å; E299-D303 VanDerWaalsContact O-OD1 3.05Å
300E97.6Very high97.6Very high137 Ų13776.5 Ų76.564%0.6437%0.369SS*.Hα-helixtrans-65.1-40.6177.6-58.376.1-165.100112.3T298 D303 A304T298-E300 VanDerWaalsContact CB-OE2 3.23Å; T298-E300 WeakPolarHBondContact CB-OE2 3.27Å; T298-E300 PolarHBondContact O-N 3.49Å; T298-E300 PolarHBondContact OG1-N 2.88Å; T298-E300 PolarHBondContact OG1-OE2 3.49Å; E300-D303 PolarHBondContact O-N 3.47Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.35Å
301E97.4Very high97.6Very high82 Ų8272.4 Ų72.438%0.38336%0.358SS..Hα-helixtrans-66.7-41.1175.6-65.3175.2144.600111.6M215 N294 P297 T298 E299 D303 L305M215-E301 HydrophobicContact CE-CB 3.82Å; N294-E301 PolarHBondContact ND2-OE2 2.81Å; P297-E301 VanDerWaalsContact CA-OE2 3.28Å; P297-E301 WeakPolarHBondContact CA-OE2 3.22Å; T298-E301 PolarHBondContact N-OE2 2.89Å; T298-E301 PolarHBondContact O-N 3.07Å; T298-E301 PolarHBondContact OG1-N 3.1Å; E299-E301 PolarHBondContact O-N 2.89Å; E301-D303 VanDerWaalsContact C-N 3.32Å; E301-L305 WeakPolarHBondContact O-CB 3.31Å; E301-L305 PolarHBondContact O-N 2.87Å
302L97.4Very high97.6Very high5 Ų572.8 Ų72.83%0.02636%0.359CS..Hα-helixtrans-61.7-42.7175.2-75172.5000111.5V211 K212 M215 P297 T298 E299 L305 H306V211-L302 HydrophobicContact CG1-CD2 4.18Å; K212-L302 VanDerWaalsContact CA-CD2 3.49Å; K212-L302 HydrophobicContact CB-CD1 4.49Å; K212-L302 HydrophobicContact CB-CD2 3.67Å; K212-L302 HydrophobicContact CD-CD1 4.47Å; K212-L302 HydrophobicContact CG-CD2 4.23Å; M215-L302 HydrophobicContact SD-CD2 3.63Å; M215-L302 HydrophobicContact SD-CG 4.31Å; P297-L302 HydrophobicContact CB-CD2 4.2Å; P297-L302 HydrophobicContact CB-CG 4.06Å; P297-L302 HydrophobicContact CG-CD1 4.22Å; P297-L302 HydrophobicContact CG-CD2 3.88Å; P297-L302 HydrophobicContact CG-CG 4.01Å; T298-L302 WeakPolarHBondContact O-CG 3.38Å; T298-L302 PolarHBondContact O-N 3.27Å; E299-L302 PolarHBondContact O-N 3.45Å; L302-L305 PolarHBondContact O-N 3.18Å; L302-H306 WeakPolarHBondContact O-CB 2.92Å; L302-H306 PolarHBondContact O-N 3.4Å
303D98.1Very high97.7Very high63 Ų6366 Ų6634%0.33733%0.327SS..Hα-helixtrans-69.7-43.9-177.3-74.615.6000111.1K208 E299 E300 E301 L305 H306 Q307K208-D303 WeakPolarHBondContact CD-OD1 3.29Å; K208-D303 WeakPolarHBondContact CE-OD1 3.48Å; K208-D303 IonicContact NZ-OD1 3.4Å; K208-D303 PolarHBondContact NZ-OD1 2.89Å; K208-D303 IonicContact NZ-OD2 3.39Å; K208-D303 PolarHBondContact NZ-OD2 2.96Å; E299-D303 VanDerWaalsContact O-CB 3.28Å; E299-D303 WeakPolarHBondContact O-CB 3.31Å; E299-D303 PolarHBondContact O-N 2.66Å; E299-D303 VanDerWaalsContact O-OD1 3.05Å; E300-D303 PolarHBondContact O-N 3.47Å; E301-D303 VanDerWaalsContact C-N 3.32Å; D303-L305 PolarHBondContact O-N 3.43Å; D303-H306 PolarHBondContact O-N 2.84Å; D303-Q307 VanDerWaalsContact O-CB 3.23Å; D303-Q307 WeakPolarHBondContact O-CB 3.35Å; D303-Q307 PolarHBondContact O-N 3.3Å
304A98.3Very high97.8Very high60 Ų6061.5 Ų61.550%0.49631%0.312SS..Hα-helixtrans-60.6-4517500000111.9E300 Q307 L308E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.35Å; A304-Q307 PolarHBondContact O-N 3.23Å; A304-L308 WeakPolarHBondContact O-CB 3.17Å; A304-L308 PolarHBondContact O-N 3.25Å
305L98.6Very high97.8Very high21 Ų2163.6 Ų63.611%0.1132%0.32CS..Hα-helixtrans-71.6-36.8179.5-176.859.3000112.4V211 M215 L221 I289 V291 E301 L302 D303 L308 Y309V211-L305 HydrophobicContact CG1-CB 3.86Å; V211-L305 HydrophobicContact CG1-CD2 3.57Å; V211-L305 HydrophobicContact CG1-CG 3.66Å; M215-L305 HydrophobicContact CG-CD2 3.66Å; M215-L305 HydrophobicContact SD-CD2 3.97Å; L221-L305 HydrophobicContact CD1-CD1 4.3Å; L221-L305 HydrophobicContact CD1-CD2 4.13Å; L221-L305 HydrophobicContact CD1-CG 4Å; I289-L305 HydrophobicContact CG2-CD1 3.8Å; V291-L305 HydrophobicContact CG1-CD2 4.07Å; V291-L305 HydrophobicContact CG2-CD1 4.39Å; V291-L305 HydrophobicContact CG2-CD2 3.92Å; E301-L305 WeakPolarHBondContact O-CB 3.31Å; E301-L305 PolarHBondContact O-N 2.87Å; L302-L305 PolarHBondContact O-N 3.18Å; D303-L305 PolarHBondContact O-N 3.43Å; L305-L308 HydrophobicContact CD1-CD2 4.49Å; L305-L308 PolarHBondContact O-N 3.13Å; L305-Y309 WeakPolarHBondContact O-CB 3.48Å; L305-Y309 PolarHBondContact O-N 2.71Å
306H98.6Very high98Very high14 Ų1457.7 Ų57.77%0.06529%0.293CS..Hα-helixtrans-66.8-39.3174.6177.7-94.4000111.9L204 A205 K208 V211 L302 D303 Y309 T310L204-H306 PolarHBondContact O-CE1 3.43Å; L204-H306 PolarHBondContact O-NE2 2.96Å; A205-H306 PolarHBondContact O-CE1 2.87Å; K208-H306 HydrophobicContact CG-CB 4.23Å; V211-H306 HydrophobicContact CG2-CB 4.08Å; L302-H306 WeakPolarHBondContact O-CB 2.92Å; L302-H306 PolarHBondContact O-N 3.4Å; D303-H306 PolarHBondContact O-N 2.84Å; H306-Y309 WeakPolarHBondContact O-CB 3.38Å; H306-Y309 PolarHBondContact O-N 3.32Å; H306-T310 WeakPolarHBondContact O-CB 3.48Å; H306-T310 PolarHBondContact O-N 2.85Å; H306-T310 PolarHBondContact O-OG1 3.46Å
307Q98.4Very high98.1Very high114 Ų11449 Ų4953%0.53326%0.255SS..Hα-helixtrans-61.1-50.9173178.5175.2-6.500110.6D303 A304 Y309 T310 E311D303-Q307 VanDerWaalsContact O-CB 3.23Å; D303-Q307 WeakPolarHBondContact O-CB 3.35Å; D303-Q307 PolarHBondContact O-N 3.3Å; A304-Q307 PolarHBondContact O-N 3.23Å; Q307-Y309 VanDerWaalsContact C-N 3.28Å; Q307-Y309 PolarHBondContact O-N 3.11Å; Q307-T310 WeakPolarHBondContact O-CB 3.33Å; Q307-T310 PolarHBondContact O-N 3.45Å; Q307-E311 HydrophobicContact CG-CG 4.44Å; Q307-E311 VanDerWaalsContact CG-OE1 3.29Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.45Å; Q307-E311 PolarHBondContact NE2-OE1 3.42Å; Q307-E311 WeakPolarHBondContact O-CG 3.38Å; Q307-E311 PolarHBondContact O-N 3.28Å
308L98.6Very high98.2Very high66 Ų6651.5 Ų51.535%0.34627%0.265SS..Hα-helixtrans-56.3-43.4176177.960.4000111.7I289 A304 L305 T310 E311 E312I289-L308 HydrophobicContact CG2-CD2 3.69Å; I289-L308 HydrophobicContact CG2-CG 4.24Å; A304-L308 WeakPolarHBondContact O-CB 3.17Å; A304-L308 PolarHBondContact O-N 3.25Å; L305-L308 HydrophobicContact CD1-CD2 4.49Å; L305-L308 PolarHBondContact O-N 3.13Å; L308-T310 VanDerWaalsContact C-N 3.3Å; L308-T310 PolarHBondContact O-N 3.46Å; L308-E311 PolarHBondContact O-N 2.96Å; L308-E312 HydrophobicContact CD1-CG 4.15Å; L308-E312 HydrophobicContact CG-CG 4.49Å; L308-E312 WeakPolarHBondContact O-CB 3.23Å; L308-E312 VanDerWaalsContact O-CG 3.23Å; L308-E312 WeakPolarHBondContact O-CG 3.28Å; L308-E312 PolarHBondContact O-N 2.85Å
309Y98.8Very high98.3Very high0 Ų054.2 Ų54.20%027%0.273CS..Hα-helixtrans-59-41.8175.4178.4-87.8000112.7G107 H109 L204 F210 L221 P223 I289 L305 H306 Q307 L313G107-Y309 VanDerWaalsContact CA-OH 3.24Å; G107-Y309 WeakPolarHBondContact CA-OH 3.41Å; G107-Y309 PolarHBondContact O-OH 2.99Å; G107-Y309 VanDerWaalsContact O-OH 3.09Å; H109-Y309 AromaticContact NE2-CE1 3.68Å; H109-Y309 AromaticContact NE2-CZ 3.68Å; H109-Y309 PolarHBondContact NE2-OH 3.2Å; L204-Y309 HydrophobicContact CD1-CD1 4.5Å; L204-Y309 HydrophobicContact CD1-CE1 4.24Å; L204-Y309 HydrophobicContact CD2-CD1 4.18Å; L204-Y309 HydrophobicContact CD2-CE1 3.97Å; F210-Y309 HydrophobicContact CE2-CD1 4.13Å; F210-Y309 AromaticContact CE2-CD2 3.94Å; F210-Y309 HydrophobicContact CE2-CD2 3.94Å; F210-Y309 HydrophobicContact CE2-CE1 4.02Å; F210-Y309 AromaticContact CE2-CE2 3.83Å; F210-Y309 HydrophobicContact CE2-CE2 3.83Å; F210-Y309 HydrophobicContact CE2-CG 4.09Å; F210-Y309 AromaticContact CE2-CZ 3.88Å; F210-Y309 AromaticContact CZ-CD1 3.6Å; F210-Y309 HydrophobicContact CZ-CD1 3.6Å; F210-Y309 HydrophobicContact CZ-CD2 4.26Å; F210-Y309 AromaticContact CZ-CE1 3.59Å; F210-Y309 HydrophobicContact CZ-CE1 3.59Å; F210-Y309 HydrophobicContact CZ-CE2 4.25Å; F210-Y309 AromaticContact CZ-CG 3.95Å; F210-Y309 HydrophobicContact CZ-CG 3.95Å; F210-Y309 AromaticContact CZ-CZ 3.93Å; L221-Y309 HydrophobicContact CB-CD2 3.96Å; L221-Y309 HydrophobicContact CB-CE2 4.36Å; L221-Y309 HydrophobicContact CD1-CD2 4.09Å; L221-Y309 HydrophobicContact CG-CD2 4.5Å; P223-Y309 HydrophobicContact CB-CE2 4.04Å; I289-Y309 HydrophobicContact CD1-CD2 3.99Å; I289-Y309 HydrophobicContact CD1-CG 4.48Å; L305-Y309 WeakPolarHBondContact O-CB 3.48Å; L305-Y309 PolarHBondContact O-N 2.71Å; H306-Y309 WeakPolarHBondContact O-CB 3.38Å; H306-Y309 PolarHBondContact O-N 3.32Å; Q307-Y309 VanDerWaalsContact C-N 3.28Å; Q307-Y309 PolarHBondContact O-N 3.11Å; Y309-L313 HydrophobicContact CE1-CD2 4.31Å; Y309-L313 WeakPolarHBondContact O-CB 3.43Å; Y309-L313 PolarHBondContact O-N 2.85Å
310T98.4Very high98.3Very high22 Ų2250 Ų5014%0.13525%0.254CS..Hα-helixtrans-70.5-38.5-178.8-57.50000111.7L204 H306 Q307 L308 S314 F334L204-T310 HydrophobicContact CD2-CG2 4.43Å; H306-T310 WeakPolarHBondContact O-CB 3.48Å; H306-T310 PolarHBondContact O-N 2.85Å; H306-T310 PolarHBondContact O-OG1 3.46Å; Q307-T310 WeakPolarHBondContact O-CB 3.33Å; Q307-T310 PolarHBondContact O-N 3.45Å; L308-T310 VanDerWaalsContact C-N 3.3Å; L308-T310 PolarHBondContact O-N 3.46Å; T310-S314 WeakPolarHBondContact O-CB 3.35Å; T310-S314 PolarHBondContact O-N 2.89Å; T310-S314 PolarHBondContact O-OG 2.92Å; T310-F334 HydrophobicContact CG2-CD1 4.21Å; T310-F334 HydrophobicContact CG2-CD2 3.32Å; T310-F334 HydrophobicContact CG2-CE1 4.06Å; T310-F334 HydrophobicContact CG2-CE2 3.15Å; T310-F334 HydrophobicContact CG2-CG 3.86Å; T310-F334 HydrophobicContact CG2-CZ 3.55Å
311E98.5Very high98.3Very high100 Ų10044 Ų4447%0.46723%0.225SC..Hα-helixtrans-62.3-48.6172.8-71.5169.9-175.600111Q307 L308 L313 S314 Q315Q307-E311 HydrophobicContact CG-CG 4.44Å; Q307-E311 VanDerWaalsContact CG-OE1 3.29Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.45Å; Q307-E311 PolarHBondContact NE2-OE1 3.42Å; Q307-E311 WeakPolarHBondContact O-CG 3.38Å; Q307-E311 PolarHBondContact O-N 3.28Å; L308-E311 PolarHBondContact O-N 2.96Å; E311-L313 PolarHBondContact O-N 3.46Å; E311-S314 WeakPolarHBondContact O-CB 3.26Å; E311-S314 PolarHBondContact O-N 3.42Å; E311-Q315 WeakPolarHBondContact O-CB 3.28Å; E311-Q315 PolarHBondContact O-N 3.39Å
312E98.6Very high98.3Very high17 Ų1742.8 Ų42.88%0.07924%0.235CC..Hα-helixtrans-63.9-38.1177.9-70.4-71.5154.200112.9P223 R287 I289 L308 L316P223-E312 HydrophobicContact CG-CB 4.11Å; R287-E312 WeakPolarHBondContact CD-OE2 3.43Å; R287-E312 WeakPolarHBondContact CG-OE2 3.32Å; R287-E312 IonicContact CZ-OE1 2.97Å; R287-E312 IonicContact CZ-OE2 3.67Å; R287-E312 IonicContact NE-OE1 2.74Å; R287-E312 PolarHBondContact NE-OE1 3.41Å; R287-E312 IonicContact NE-OE2 3.64Å; R287-E312 PolarHBondContact NE-OE2 3.47Å; R287-E312 IonicContact NH2-OE1 2.58Å; R287-E312 PolarHBondContact NH2-OE1 3.31Å; R287-E312 IonicContact NH2-OE2 3.69Å; I289-E312 HydrophobicContact CD1-CB 3.99Å; I289-E312 HydrophobicContact CD1-CG 3.83Å; I289-E312 HydrophobicContact CG1-CG 4.12Å; L308-E312 HydrophobicContact CD1-CG 4.15Å; L308-E312 HydrophobicContact CG-CG 4.49Å; L308-E312 WeakPolarHBondContact O-CB 3.23Å; L308-E312 VanDerWaalsContact O-CG 3.23Å; L308-E312 WeakPolarHBondContact O-CG 3.28Å; L308-E312 PolarHBondContact O-N 2.85Å; E312-L316 VanDerWaalsContact O-CB 3.26Å; E312-L316 WeakPolarHBondContact O-CB 3.16Å; E312-L316 PolarHBondContact O-N 3.43Å
313L98.8Very high98.3Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-65.6-41.1173.9179.462.8000111.6I202 L204 P223 F225 Y309 E311 L316 F317 L332 F334I202-L313 HydrophobicContact CD1-CD2 4.21Å; L204-L313 HydrophobicContact CD2-CD2 3.68Å; P223-L313 HydrophobicContact CB-CB 3.98Å; P223-L313 HydrophobicContact CB-CD1 3.98Å; F225-L313 HydrophobicContact CB-CD1 4.19Å; F225-L313 HydrophobicContact CD2-CD1 4.31Å; Y309-L313 HydrophobicContact CE1-CD2 4.31Å; Y309-L313 WeakPolarHBondContact O-CB 3.43Å; Y309-L313 PolarHBondContact O-N 2.85Å; E311-L313 PolarHBondContact O-N 3.46Å; L313-L316 PolarHBondContact O-N 3.36Å; L313-F317 PolarHBondContact O-N 3.4Å; L313-L332 HydrophobicContact CG-CD1 4.08Å; L313-F334 HydrophobicContact CD2-CE1 3.96Å; L313-F334 HydrophobicContact CD2-CZ 4.48Å
314S98.6Very high98.2Very high32 Ų3249 Ų4922%0.22426%0.258CS..Hα-helixtrans-62.8-49.4176.1-57.40000110.6T310 E311 L316 F317 E318 F334T310-S314 WeakPolarHBondContact O-CB 3.35Å; T310-S314 PolarHBondContact O-N 2.89Å; T310-S314 PolarHBondContact O-OG 2.92Å; E311-S314 WeakPolarHBondContact O-CB 3.26Å; E311-S314 PolarHBondContact O-N 3.42Å; S314-L316 VanDerWaalsContact C-N 3.34Å; S314-L316 PolarHBondContact O-N 2.85Å; S314-F317 WeakPolarHBondContact O-CB 3.23Å; S314-F317 PolarHBondContact O-N 2.91Å; S314-F317 VanDerWaalsContact O-N 3.17Å; S314-E318 WeakPolarHBondContact O-CG 3.37Å; S314-E318 PolarHBondContact O-N 3.47Å; S314-F334 WeakPolarHBondContact OG-CE2 3.33Å; S314-F334 VanDerWaalsContact OG-CZ 3.22Å; S314-F334 WeakPolarHBondContact OG-CZ 3.49Å
315Q98.4Very high98Very high91 Ų9149.4 Ų49.443%0.42527%0.267SS..Hα-helixtrans-58.5-46.4176.7-178.6177-1.100111.5E311 F317 E318 E319E311-Q315 WeakPolarHBondContact O-CB 3.28Å; E311-Q315 PolarHBondContact O-N 3.39Å; Q315-F317 PolarHBondContact O-N 2.92Å; Q315-E318 PolarHBondContact O-N 3.46Å; Q315-E319 HydrophobicContact CG-CG 4.26Å; Q315-E319 VanDerWaalsContact CG-OE1 3.29Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.47Å; Q315-E319 PolarHBondContact NE2-OE1 3.03Å; Q315-E319 WeakPolarHBondContact O-CB 3.4Å; Q315-E319 WeakPolarHBondContact O-CG 3.21Å; Q315-E319 PolarHBondContact O-N 3.35Å
316L98.6Very high97.9Very high9 Ų949 Ų495%0.04727%0.266CS..Hα-helixtrans-56.4-41.8177.6-174.169.3000111.8T95 P223 F225 V284 E312 L313 S314 H320T95-L316 HydrophobicContact CG2-CD1 4.11Å; P223-L316 HydrophobicContact CB-CD2 4.39Å; P223-L316 WeakPolarHBondContact O-CD2 3.18Å; F225-L316 HydrophobicContact CB-CD2 4.35Å; V284-L316 HydrophobicContact CG1-CD1 3.73Å; V284-L316 HydrophobicContact CG1-CG 4.24Å; E312-L316 VanDerWaalsContact O-CB 3.26Å; E312-L316 WeakPolarHBondContact O-CB 3.16Å; E312-L316 PolarHBondContact O-N 3.43Å; L313-L316 PolarHBondContact O-N 3.36Å; S314-L316 VanDerWaalsContact C-N 3.34Å; S314-L316 PolarHBondContact O-N 2.85Å; L316-H320 PolarHBondContact O-ND1 2.99Å
317F98.6Very high97.7Very high0 Ų051.5 Ų51.50%028%0.283CS..Hα-helixtrans-64.4-54174.9172.9-96.3000111.3F200 F225 F227 L313 S314 Q315 E319 H320 K321 V326 L332F200-F317 HydrophobicContact CD1-CD2 4.41Å; F200-F317 AromaticContact CD1-CE2 3.32Å; F200-F317 HydrophobicContact CD1-CE2 3.32Å; F200-F317 AromaticContact CD1-CZ 3.66Å; F200-F317 HydrophobicContact CD1-CZ 3.66Å; F200-F317 AromaticContact CE1-CE2 3.58Å; F200-F317 HydrophobicContact CE1-CE2 3.58Å; F200-F317 HydrophobicContact CE1-CZ 4.04Å; F200-F317 HydrophobicContact CG-CE2 4.18Å; F200-F317 HydrophobicContact CG-CZ 4.07Å; F225-F317 AromaticContact CD1-CD2 3.98Å; F225-F317 HydrophobicContact CD1-CD2 3.98Å; F225-F317 HydrophobicContact CD2-CD2 4.44Å; F225-F317 AromaticContact CE1-CD2 3.61Å; F225-F317 HydrophobicContact CE1-CD2 3.61Å; F225-F317 AromaticContact CE1-CE2 3.92Å; F225-F317 HydrophobicContact CE1-CE2 3.92Å; F225-F317 HydrophobicContact CE2-CD2 4.12Å; F225-F317 HydrophobicContact CG-CD2 4.39Å; F225-F317 AromaticContact CZ-CD2 3.69Å; F225-F317 HydrophobicContact CZ-CD2 3.69Å; F225-F317 AromaticContact CZ-CE2 3.89Å; F225-F317 HydrophobicContact CZ-CE2 3.89Å; F227-F317 HydrophobicContact CD1-CE2 4.45Å; F227-F317 AromaticContact CE1-CD2 3.6Å; F227-F317 HydrophobicContact CE1-CD2 3.6Å; F227-F317 AromaticContact CE1-CE2 3.57Å; F227-F317 HydrophobicContact CE1-CE2 3.57Å; F227-F317 AromaticContact CZ-CD2 3.73Å; F227-F317 HydrophobicContact CZ-CD2 3.73Å; F227-F317 HydrophobicContact CZ-CE2 4.19Å; L313-F317 PolarHBondContact O-N 3.4Å; S314-F317 WeakPolarHBondContact O-CB 3.23Å; S314-F317 PolarHBondContact O-N 2.91Å; S314-F317 VanDerWaalsContact O-N 3.17Å; Q315-F317 PolarHBondContact O-N 2.92Å; F317-E319 VanDerWaalsContact C-N 3.32Å; F317-E319 PolarHBondContact O-N 2.98Å; F317-H320 PolarHBondContact O-N 2.95Å; F317-K321 HydrophobicContact CD1-CB 4.34Å; F317-K321 HydrophobicContact CD1-CD 4.06Å; F317-K321 HydrophobicContact CD2-CB 4.48Å; F317-K321 HydrophobicContact CE1-CB 4.04Å; F317-K321 HydrophobicContact CE1-CD 3.54Å; F317-K321 HydrophobicContact CE1-CG 4.44Å; F317-K321 HydrophobicContact CE2-CB 4.18Å; F317-K321 HydrophobicContact CZ-CB 3.98Å; F317-K321 HydrophobicContact CZ-CD 4.13Å; F317-K321 VanDerWaalsContact O-CB 3.3Å; F317-K321 WeakPolarHBondContact O-CB 3.5Å; F317-K321 PolarHBondContact O-N 2.89Å; F317-V326 HydrophobicContact CZ-CG1 3.92Å; F317-L332 HydrophobicContact CB-CD1 3.68Å; F317-L332 HydrophobicContact CB-CD2 4.3Å; F317-L332 HydrophobicContact CB-CG 3.85Å; F317-L332 HydrophobicContact CD1-CD1 4.46Å; F317-L332 HydrophobicContact CD1-CD2 3.99Å; F317-L332 HydrophobicContact CD1-CG 3.68Å; F317-L332 HydrophobicContact CD2-CD1 4.48Å; F317-L332 HydrophobicContact CD2-CD2 3.57Å; F317-L332 HydrophobicContact CD2-CG 4.02Å; F317-L332 HydrophobicContact CE1-CD2 4.14Å; F317-L332 HydrophobicContact CE1-CG 4.18Å; F317-L332 HydrophobicContact CE2-CD2 3.75Å; F317-L332 HydrophobicContact CE2-CG 4.49Å; F317-L332 HydrophobicContact CG-CD1 3.98Å; F317-L332 HydrophobicContact CG-CD2 3.68Å; F317-L332 HydrophobicContact CG-CG 3.57Å; F317-L332 HydrophobicContact CZ-CD2 4Å
318E98.4Very high97.5Very high69 Ų6954.3 Ų54.332%0.32230%0.296SS..Hα-helixtrans-55.1-44.7-178-69.5-56.8137.900112.6S314 Q315 H320 K321 H331S314-E318 WeakPolarHBondContact O-CG 3.37Å; S314-E318 PolarHBondContact O-N 3.47Å; Q315-E318 PolarHBondContact O-N 3.46Å; E318-H320 PolarHBondContact O-N 3.21Å; E318-K321 IonicContact OE1-NZ 3.87Å; E318-K321 PolarHBondContact OE1-NZ 3.22Å; E318-K321 WeakPolarHBondContact OE2-CE 3.46Å; E318-K321 IonicContact OE2-NZ 3.78Å; E318-K321 PolarHBondContact OE2-NZ 2.8Å; E318-H331 IonicContact OE1-CE1 3.88Å; E318-H331 IonicContact OE1-CG 2.87Å; E318-H331 IonicContact OE1-ND1 2.61Å; E318-H331 PolarHBondContact OE1-ND1 2.95Å; E318-H331 IonicContact OE2-CE1 3.83Å; E318-H331 IonicContact OE2-ND1 3.65Å
319E98.2Very high97.3Very high120 Ų12057.5 Ų57.556%0.56131%0.314SS*.Hα-helixtrans-62.8-25.7179.5-72.9175179.900113.5Q315 F317Q315-E319 HydrophobicContact CG-CG 4.26Å; Q315-E319 VanDerWaalsContact CG-OE1 3.29Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.47Å; Q315-E319 PolarHBondContact NE2-OE1 3.03Å; Q315-E319 WeakPolarHBondContact O-CB 3.4Å; Q315-E319 WeakPolarHBondContact O-CG 3.21Å; Q315-E319 PolarHBondContact O-N 3.35Å; F317-E319 VanDerWaalsContact C-N 3.32Å; F317-E319 PolarHBondContact O-N 2.98Å
320H98.1Very high97.1Very high29 Ų2960.5 Ų60.513%0.13433%0.328CS..Hα-helixtrans-113.8-17.2-171-6882.9000114.1F227 V284 L316 F317 E318 G322 K323 Y324F227-H320 HydrophobicContact CE2-CB 3.76Å; F227-H320 HydrophobicContact CZ-CB 3.9Å; V284-H320 HydrophobicContact CG2-CB 4.41Å; L316-H320 PolarHBondContact O-ND1 2.99Å; F317-H320 PolarHBondContact O-N 2.95Å; E318-H320 PolarHBondContact O-N 3.21Å; H320-G322 PolarHBondContact O-N 3.11Å; H320-K323 WeakPolarHBondContact O-CB 3.36Å; H320-K323 PolarHBondContact O-N 3.36Å; H320-K323 VanDerWaalsContact O-N 3.14Å; H320-Y324 HydrophobicContact CB-CD2 4.33Å; H320-Y324 HydrophobicContact CB-CE2 3.99Å; H320-Y324 VanDerWaalsContact O-CD2 3.24Å; H320-Y324 WeakPolarHBondContact O-CD2 3.32Å
321K97.3Very high97Very high10 Ų1064.5 Ų64.54%0.04335%0.345CS..Hα-helixtrans-59.6-42.7-169.578.8-177.5-173.9-178.10112.9F227 F317 E318 K323 Y324 G325 V326 E328 Q330 H331F227-K321 HydrophobicContact CE1-CB 4.04Å; F227-K321 HydrophobicContact CZ-CB 4.37Å; F317-K321 HydrophobicContact CD1-CB 4.34Å; F317-K321 HydrophobicContact CD1-CD 4.06Å; F317-K321 HydrophobicContact CD2-CB 4.48Å; F317-K321 HydrophobicContact CE1-CB 4.04Å; F317-K321 HydrophobicContact CE1-CD 3.54Å; F317-K321 HydrophobicContact CE1-CG 4.44Å; F317-K321 HydrophobicContact CE2-CB 4.18Å; F317-K321 HydrophobicContact CZ-CB 3.98Å; F317-K321 HydrophobicContact CZ-CD 4.13Å; F317-K321 VanDerWaalsContact O-CB 3.3Å; F317-K321 WeakPolarHBondContact O-CB 3.5Å; F317-K321 PolarHBondContact O-N 2.89Å; E318-K321 IonicContact OE1-NZ 3.87Å; E318-K321 PolarHBondContact OE1-NZ 3.22Å; E318-K321 WeakPolarHBondContact OE2-CE 3.46Å; E318-K321 IonicContact OE2-NZ 3.78Å; E318-K321 PolarHBondContact OE2-NZ 2.8Å; K321-K323 VanDerWaalsContact C-N 3.31Å; K321-K323 PolarHBondContact O-N 3.37Å; K321-Y324 CarbonylContact O-C 3.59Å; K321-Y324 PolarHBondContact O-N 3.4Å; K321-G325 PolarHBondContact O-N 3.12Å; K321-V326 HydrophobicContact CB-CB 3.73Å; K321-V326 HydrophobicContact CB-CG1 4.01Å; K321-V326 HydrophobicContact CB-CG2 4.26Å; K321-V326 HydrophobicContact CD-CG1 4.34Å; K321-V326 HydrophobicContact CG-CB 4.3Å; K321-V326 HydrophobicContact CG-CG1 4.4Å; K321-V326 WeakPolarHBondContact O-CB 3.31Å; K321-V326 PolarHBondContact O-N 3.12Å; K321-V326 VanDerWaalsContact O-N 3.07Å; K321-E328 PolarHBondContact NZ-O 3.2Å; K321-Q330 WeakPolarHBondContact CD-O 3.36Å; K321-Q330 PolarHBondContact NZ-O 3.48Å; K321-H331 PolarHBondContact NZ-CE1 3.24Å; K321-H331 PolarHBondContact NZ-ND1 3.49Å
322G97.1Very high97Very high56 Ų5660.8 Ų60.858%0.57733%0.328SS*.G310 helixtrans-61.8-36.1179.200000113.3H320 Y324 G325H320-G322 PolarHBondContact O-N 3.11Å; G322-Y324 PolarHBondContact O-N 3.14Å; G322-G325 PolarHBondContact O-N 2.95Å
323K96.9Very high96.8Very high154 Ų15462.8 Ų62.867%0.6734%0.344SS*.G310 helixtrans-64-25.1177.2-179.5176.6176.4-179.40112.8H320 K321H320-K323 WeakPolarHBondContact O-CB 3.36Å; H320-K323 PolarHBondContact O-N 3.36Å; H320-K323 VanDerWaalsContact O-N 3.14Å; K321-K323 VanDerWaalsContact C-N 3.31Å; K321-K323 PolarHBondContact O-N 3.37Å
324Y96Very high96.7Very high46 Ų4665.3 Ų65.318%0.1836%0.355CS..G310 helixtrans-108.917.9-177.1-55.1-56.6000113F227 N282 V284 H320 K321 G322F227-Y324 HydrophobicContact CB-CD2 4.01Å; F227-Y324 HydrophobicContact CB-CG 4.07Å; F227-Y324 AromaticContact CD1-CD2 3.94Å; F227-Y324 HydrophobicContact CD1-CD2 3.94Å; F227-Y324 HydrophobicContact CD1-CG 4.38Å; F227-Y324 AromaticContact CD2-CD2 3.21Å; F227-Y324 HydrophobicContact CD2-CD2 3.21Å; F227-Y324 AromaticContact CD2-CE2 3.53Å; F227-Y324 HydrophobicContact CD2-CE2 3.53Å; F227-Y324 HydrophobicContact CD2-CG 4.12Å; F227-Y324 HydrophobicContact CE1-CD2 4.21Å; F227-Y324 AromaticContact CE2-CD2 3.51Å; F227-Y324 HydrophobicContact CE2-CD2 3.51Å; F227-Y324 AromaticContact CE2-CE2 3.75Å; F227-Y324 HydrophobicContact CE2-CE2 3.75Å; F227-Y324 AromaticContact CG-CD2 3.44Å; F227-Y324 HydrophobicContact CG-CD2 3.44Å; F227-Y324 VanDerWaalsContact CG-CD2 3.44Å; F227-Y324 HydrophobicContact CG-CE2 4.21Å; F227-Y324 AromaticContact CG-CG 3.94Å; F227-Y324 HydrophobicContact CG-CG 3.94Å; F227-Y324 HydrophobicContact CZ-CD2 4.01Å; N282-Y324 HydrophobicContact CB-CD1 3.84Å; N282-Y324 HydrophobicContact CB-CE1 3.43Å; N282-Y324 VanDerWaalsContact CB-CE1 3.43Å; N282-Y324 HydrophobicContact CB-CE2 4.12Å; N282-Y324 HydrophobicContact CB-CG 4.37Å; V284-Y324 HydrophobicContact CG2-CE2 3.98Å; H320-Y324 HydrophobicContact CB-CD2 4.33Å; H320-Y324 HydrophobicContact CB-CE2 3.99Å; H320-Y324 VanDerWaalsContact O-CD2 3.24Å; H320-Y324 WeakPolarHBondContact O-CD2 3.32Å; K321-Y324 CarbonylContact O-C 3.59Å; K321-Y324 PolarHBondContact O-N 3.4Å; G322-Y324 PolarHBondContact O-N 3.14Å
325G94Very high96.4Very high67 Ų6767.4 Ų67.469%0.69137%0.366SS*.THydrogen-bonded Turntrans77.320.1171.800000114.2K321 G322K321-G325 PolarHBondContact O-N 3.12Å; G322-G325 PolarHBondContact O-N 2.95Å
326V96.2Very high96.3Very high14 Ų1466.3 Ų66.39%0.08536%0.363CS..  trans-86.5128.2172.9-177.10000108.8F200 F227 F317 K321 Q330F200-V326 HydrophobicContact CE1-CG2 4.01Å; F200-V326 HydrophobicContact CE2-CG1 4.15Å; F200-V326 HydrophobicContact CE2-CG2 4.46Å; F200-V326 HydrophobicContact CZ-CB 4.44Å; F200-V326 HydrophobicContact CZ-CG1 3.99Å; F200-V326 HydrophobicContact CZ-CG2 3.59Å; F227-V326 HydrophobicContact CD1-CG2 4.03Å; F227-V326 HydrophobicContact CE1-CG2 4.11Å; F317-V326 HydrophobicContact CZ-CG1 3.92Å; K321-V326 HydrophobicContact CB-CB 3.73Å; K321-V326 HydrophobicContact CB-CG1 4.01Å; K321-V326 HydrophobicContact CB-CG2 4.26Å; K321-V326 HydrophobicContact CD-CG1 4.34Å; K321-V326 HydrophobicContact CG-CB 4.3Å; K321-V326 HydrophobicContact CG-CG1 4.4Å; K321-V326 WeakPolarHBondContact O-CB 3.31Å; K321-V326 PolarHBondContact O-N 3.12Å; K321-V326 VanDerWaalsContact O-N 3.07Å; V326-Q330 HydrophobicContact CG1-CB 3.9Å; V326-Q330 HydrophobicContact CG1-CG 4.09Å
327P95.1Very high96.2Very high66 Ų6669.3 Ų69.343%0.42938%0.38SS..  trans-57.1153.2177-27.537000114.3D329 Q330P327-D329 VanDerWaalsContact C-N 3.3Å; P327-D329 WeakPolarHBondContact CB-OD1 3.15Å; P327-D329 PolarHBondContact O-N 3.15Å; P327-Q330 HydrophobicContact CB-CB 4.43Å; P327-Q330 PolarHBondContact O-N 3.23Å
328E93.6Very high96.1Very high172 Ų17273.1 Ų73.180%0.80440%0.401SS*.THydrogen-bonded Turntrans-65-30.8-179.5-72.5-170.8170.100113.5K321 Q330K321-E328 PolarHBondContact NZ-O 3.2Å; E328-Q330 VanDerWaalsContact C-N 3.29Å; E328-Q330 PolarHBondContact O-N 3.35Å
329D94.8Very high95.9Very high134 Ų13473.4 Ų73.472%0.71741%0.406SS*.THydrogen-bonded Turntrans-79.8-9.7178.863.8-41.8000113.5P327 H331P327-D329 VanDerWaalsContact C-N 3.3Å; P327-D329 WeakPolarHBondContact CB-OD1 3.15Å; P327-D329 PolarHBondContact O-N 3.15Å; D329-H331 PolarHBondContact O-CD2 3.26Å; D329-H331 VanDerWaalsContact O-CD2 3.28Å
330Q95.4Very high95.8Very high63 Ų6370.4 Ų70.429%0.29440%0.396SS..  trans-89.4123.7178.5-169.4159.539.600110.8G198 F200 K321 V326 P327 E328G198-Q330 PolarHBondContact O-NE2 3.4Å; G198-Q330 VanDerWaalsContact O-NE2 3.1Å; F200-Q330 HydrophobicContact CD2-CG 3.69Å; F200-Q330 HydrophobicContact CE2-CG 4.07Å; F200-Q330 HydrophobicContact CG-CG 4.42Å; K321-Q330 WeakPolarHBondContact CD-O 3.36Å; K321-Q330 PolarHBondContact NZ-O 3.48Å; V326-Q330 HydrophobicContact CG1-CB 3.9Å; V326-Q330 HydrophobicContact CG1-CG 4.09Å; P327-Q330 HydrophobicContact CB-CB 4.43Å; P327-Q330 PolarHBondContact O-N 3.23Å; E328-Q330 VanDerWaalsContact C-N 3.29Å; E328-Q330 PolarHBondContact O-N 3.35Å
331H96.9Very high95.6Very high106 Ų10673.2 Ų73.249%0.49141%0.413SS..  trans-125.1160.6-177-62-70.8000111.3E318 K321 D329E318-H331 IonicContact OE1-CE1 3.88Å; E318-H331 IonicContact OE1-CG 2.87Å; E318-H331 IonicContact OE1-ND1 2.61Å; E318-H331 PolarHBondContact OE1-ND1 2.95Å; E318-H331 IonicContact OE2-CE1 3.83Å; E318-H331 IonicContact OE2-ND1 3.65Å; K321-H331 PolarHBondContact NZ-CE1 3.24Å; K321-H331 PolarHBondContact NZ-ND1 3.49Å; D329-H331 PolarHBondContact O-CD2 3.26Å; D329-H331 VanDerWaalsContact O-CD2 3.28Å
332L96.6Very high95.5Very high22 Ų2277.7 Ų77.712%0.11544%0.44CS..  trans-65.8140.5169.6-64.2-172.1000110.5F200 I202 F225 L313 F317 F334F200-L332 HydrophobicContact CB-CD2 3.98Å; F200-L332 HydrophobicContact CD1-CD2 4.35Å; I202-L332 HydrophobicContact CD1-CD1 3.75Å; I202-L332 HydrophobicContact CD1-CD2 3.83Å; I202-L332 HydrophobicContact CD1-CG 4.27Å; F225-L332 HydrophobicContact CD2-CD1 4.5Å; F225-L332 HydrophobicContact CD2-CD2 4.48Å; F225-L332 HydrophobicContact CE2-CD1 4.48Å; F225-L332 HydrophobicContact CE2-CD2 3.72Å; F225-L332 HydrophobicContact CZ-CD2 4.1Å; L313-L332 HydrophobicContact CG-CD1 4.08Å; F317-L332 HydrophobicContact CB-CD1 3.68Å; F317-L332 HydrophobicContact CB-CD2 4.3Å; F317-L332 HydrophobicContact CB-CG 3.85Å; F317-L332 HydrophobicContact CD1-CD1 4.46Å; F317-L332 HydrophobicContact CD1-CD2 3.99Å; F317-L332 HydrophobicContact CD1-CG 3.68Å; F317-L332 HydrophobicContact CD2-CD1 4.48Å; F317-L332 HydrophobicContact CD2-CD2 3.57Å; F317-L332 HydrophobicContact CD2-CG 4.02Å; F317-L332 HydrophobicContact CE1-CD2 4.14Å; F317-L332 HydrophobicContact CE1-CG 4.18Å; F317-L332 HydrophobicContact CE2-CD2 3.75Å; F317-L332 HydrophobicContact CE2-CG 4.49Å; F317-L332 HydrophobicContact CG-CD1 3.98Å; F317-L332 HydrophobicContact CG-CD2 3.68Å; F317-L332 HydrophobicContact CG-CG 3.57Å; F317-L332 HydrophobicContact CZ-CD2 4Å; L332-F334 HydrophobicContact CB-CE1 4.2Å; L332-F334 HydrophobicContact CB-CE2 4.41Å; L332-F334 HydrophobicContact CB-CZ 3.89Å; L332-F334 HydrophobicContact CD1-CE1 4.09Å; L332-F334 HydrophobicContact CD1-CZ 3.91Å
333S96.2Very high95.4Very high58 Ų5879.4 Ų79.441%0.40643%0.429SS..EExtended strand (participates in β ladder)trans-121.1122.6171177.10000109.1F200 T201 I202F200-S333 PolarHBondContact O-N 3.01Å; F200-S333 VanDerWaalsContact O-N 3.14Å; T201-S333 CarbonylContact C-O 3.33Å; T201-S333 VanDerWaalsContact CA-O 3.3Å; T201-S333 WeakPolarHBondContact CA-O 3.33Å; I202-S333 PolarHBondContact N-O 2.66Å
334F96.1Very high95.3Very high54 Ų5473.2 Ų73.224%0.23741%0.409CS..EExtended strand (participates in β ladder)trans-95.7125.7179.4-53.9-65000110.6I202 L204 A205 T310 L313 S314 L332I202-F334 HydrophobicContact CB-CD1 4.14Å; I202-F334 HydrophobicContact CB-CE1 4.43Å; I202-F334 HydrophobicContact CD1-CE1 4.09Å; I202-F334 WeakPolarHBondContact O-CA 3.34Å; L204-F334 HydrophobicContact CB-CD1 3.93Å; L204-F334 HydrophobicContact CD2-CD1 3.87Å; L204-F334 HydrophobicContact CD2-CE1 3.85Å; L204-F334 HydrophobicContact CG-CD1 4.39Å; A205-F334 HydrophobicContact CB-CB 4.36Å; T310-F334 HydrophobicContact CG2-CD1 4.21Å; T310-F334 HydrophobicContact CG2-CD2 3.32Å; T310-F334 HydrophobicContact CG2-CE1 4.06Å; T310-F334 HydrophobicContact CG2-CE2 3.15Å; T310-F334 HydrophobicContact CG2-CG 3.86Å; T310-F334 HydrophobicContact CG2-CZ 3.55Å; L313-F334 HydrophobicContact CD2-CE1 3.96Å; L313-F334 HydrophobicContact CD2-CZ 4.48Å; S314-F334 WeakPolarHBondContact OG-CE2 3.33Å; S314-F334 VanDerWaalsContact OG-CZ 3.22Å; S314-F334 WeakPolarHBondContact OG-CZ 3.49Å; L332-F334 HydrophobicContact CB-CE1 4.2Å; L332-F334 HydrophobicContact CB-CE2 4.41Å; L332-F334 HydrophobicContact CB-CZ 3.89Å; L332-F334 HydrophobicContact CD1-CE1 4.09Å; L332-F334 HydrophobicContact CD1-CZ 3.91Å
335V92.3Very high95.2Very high76 Ų7675.6 Ų75.646%0.46143%0.43SS..  trans-124.80-179.4-63.60000113.5T201 I202 L203 L204 A205T201-V335 HydrophobicContact CG2-CB 4.23Å; T201-V335 HydrophobicContact CG2-CG1 3.69Å; T201-V335 HydrophobicContact CG2-CG2 3.45Å; T201-V335 VanDerWaalsContact CG2-CG2 3.45Å; I202-V335 PolarHBondContact O-N 3.25Å; L203-V335 CarbonylContact C-O 3.29Å; L203-V335 WeakPolarHBondContact CA-O 3.22Å; L203-V335 HydrophobicContact CD1-CG2 4.09Å; L204-V335 PolarHBondContact N-O 3.31Å; A205-V335 PolarHBondContact N-O 3.33Å; A205-V335 VanDerWaalsContact N-O 3.07Å

Retrieved 335 of 335 residues in 101.4 ms (Link to these results)

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