H9EWA2_MACMU Loading...

Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial

Transaminase with broad substrate specificity. Has transaminase activity towards aminoadipate, kynurenine, methionine and glutamate. Shows activity also towards tryptophan, aspartate and hydroxykynurenine. Accepts a variety of oxo-acids as amino-group acceptors, with a preference for 2-oxoglutarate, 2-oxocaproic acid, phenylpyruvate and alpha-oxo-gamma-methiol butyric acid. Can also use glyoxylate as amino-group acceptor (in vitro).

AlphaFold DB , UniProt , Accession H9EWA2, Species MACMU (Macaca mulatta, Rhesus macaque), Gene AADAT, Length 425 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
1M94.8Very high98.3Very high74 Ų7445.9 Ų45.937%0.36530%0.296SS..  0146.20-78.8-67.9-79.100110.7Y3 F6 D224 L226 D252 R254M1-Y3 HydrophobicContact CB-CD1 4.4Å; M1-Y3 HydrophobicContact CB-CD2 4.42Å; M1-Y3 HydrophobicContact CB-CE1 3.87Å; M1-Y3 HydrophobicContact CB-CE2 3.9Å; M1-Y3 HydrophobicContact CE-CE1 4.44Å; M1-Y3 HydrophobicContact CG-CE1 4.38Å; M1-F6 HydrophobicContact CE-CE2 3.72Å; M1-F6 HydrophobicContact CE-CZ 4.21Å; M1-D224 VanDerWaalsContact SD-OD1 3.36Å; M1-L226 HydrophobicContact CE-CD2 4Å; M1-D252 WeakPolarHBondContact CG-O 3.25Å; M1-R254 HydrophobicContact CE-CB 3.85Å; M1-R254 PolarHBondContact SD-NH2 2.95Å
2N97.9Very high98.3Very high106 Ų10646.9 Ų46.957%0.56731%0.311SS*.  trans-102.993166.5175.912.3000109.2A4 R5N2-A4 PolarHBondContact O-N 3.19Å; N2-A4 WeakPolarHBondContact OD1-CB 3.4Å; N2-A4 PolarHBondContact OD1-N 3.24Å; N2-R5 PolarHBondContact O-N 3.31Å
3Y98.8Very high98.3Very high14 Ų1448.8 Ų48.86%0.05533%0.333CS..G310 helixtrans-66.3-22.9-175.9-66-66000114.1M1 R5 F6 I7 G107 G253 P277 P279 L280M1-Y3 HydrophobicContact CB-CD1 4.4Å; M1-Y3 HydrophobicContact CB-CD2 4.42Å; M1-Y3 HydrophobicContact CB-CE1 3.87Å; M1-Y3 HydrophobicContact CB-CE2 3.9Å; M1-Y3 HydrophobicContact CE-CE1 4.44Å; M1-Y3 HydrophobicContact CG-CE1 4.38Å; Y3-R5 PolarHBondContact O-N 2.92Å; Y3-F6 PolarHBondContact O-N 2.85Å; Y3-I7 WeakPolarHBondContact O-CG1 3.39Å; Y3-G107 WeakPolarHBondContact OH-CA 3.34Å; Y3-G253 VanDerWaalsContact CE1-O 3.22Å; Y3-G253 WeakPolarHBondContact CE1-O 3.44Å; Y3-G253 PolarHBondContact OH-O 2.62Å; Y3-P277 HydrophobicContact CE1-CB 3.68Å; Y3-P277 HydrophobicContact CE1-CG 3.95Å; Y3-P279 HydrophobicContact CD2-CB 3.91Å; Y3-P279 HydrophobicContact CD2-CG 3.67Å; Y3-P279 HydrophobicContact CE2-CG 3.96Å; Y3-P279 HydrophobicContact CG-CB 4.12Å; Y3-P279 HydrophobicContact CG-CG 4.36Å; Y3-L280 HydrophobicContact CD1-CD1 3.77Å; Y3-L280 HydrophobicContact CD1-CD2 3.87Å; Y3-L280 HydrophobicContact CD1-CG 3.72Å; Y3-L280 HydrophobicContact CE1-CD1 4.02Å; Y3-L280 HydrophobicContact CE1-CG 4.25Å; Y3-L280 HydrophobicContact CG-CD2 4.29Å; Y3-L280 HydrophobicContact CG-CG 4.38Å
4A98.6Very high98.3Very high70 Ų7050.1 Ų50.158%0.57933%0.327SS*.G310 helixtrans-62.4-25.7-178.900000113N2 F6 I7N2-A4 PolarHBondContact O-N 3.19Å; N2-A4 WeakPolarHBondContact OD1-CB 3.4Å; N2-A4 PolarHBondContact OD1-N 3.24Å; A4-F6 PolarHBondContact O-N 2.6Å; A4-I7 PolarHBondContact O-N 3.15Å
5R98.4Very high98.2Very high37 Ų3755.9 Ų55.914%0.1435%0.354CS..G310 helixtrans-60.4-24.4174176.1173177.4-87-0.8113.1N2 Y3 S183 T190 P191 K192 D224N2-R5 PolarHBondContact O-N 3.31Å; Y3-R5 PolarHBondContact O-N 2.92Å; R5-S183 VanDerWaalsContact CD-O 3.25Å; R5-S183 WeakPolarHBondContact CD-O 3.39Å; R5-S183 PolarHBondContact NE-O 3.34Å; R5-T190 PolarHBondContact NH2-O 2.98Å; R5-T190 PolarHBondContact NH2-OG1 3.28Å; R5-P191 PolarHBondContact NH2-O 3.35Å; R5-K192 PolarHBondContact O-NZ 3.07Å; R5-D224 PolarHBondContact NH1-O 3.12Å
6F98.9Very high97.8Very high0 Ų056.7 Ų56.70%036%0.36CS..G310 helixtrans-110.712.6-173.6-52-78.2000113.1M1 Y3 A4 I128 K192 D224 L226M1-F6 HydrophobicContact CE-CE2 3.72Å; M1-F6 HydrophobicContact CE-CZ 4.21Å; Y3-F6 PolarHBondContact O-N 2.85Å; A4-F6 PolarHBondContact O-N 2.6Å; F6-I128 WeakPolarHBondContact O-CA 3.25Å; F6-I128 VanDerWaalsContact O-CG1 3.32Å; F6-I128 WeakPolarHBondContact O-CG1 3.5Å; F6-K192 WeakPolarHBondContact CD1-O 3.29Å; F6-K192 VanDerWaalsContact CE1-O 3.23Å; F6-K192 WeakPolarHBondContact CE1-O 3.09Å; F6-D224 WeakPolarHBondContact CZ-O 3.37Å; F6-L226 HydrophobicContact CB-CD1 3.75Å; F6-L226 HydrophobicContact CB-CG 4.47Å; F6-L226 HydrophobicContact CD1-CD1 3.79Å; F6-L226 HydrophobicContact CD1-CG 3.67Å; F6-L226 HydrophobicContact CD2-CD1 4.29Å; F6-L226 HydrophobicContact CD2-CD2 4.19Å; F6-L226 HydrophobicContact CD2-CG 4.19Å; F6-L226 HydrophobicContact CE1-CD1 4.41Å; F6-L226 HydrophobicContact CE1-CD2 4.44Å; F6-L226 HydrophobicContact CE1-CG 3.78Å; F6-L226 HydrophobicContact CE2-CD2 4.16Å; F6-L226 HydrophobicContact CE2-CG 4.31Å; F6-L226 HydrophobicContact CG-CD1 3.7Å; F6-L226 HydrophobicContact CG-CD2 4.36Å; F6-L226 HydrophobicContact CG-CG 3.86Å; F6-L226 HydrophobicContact CZ-CD2 4.27Å; F6-L226 HydrophobicContact CZ-CG 4.09Å
7I98.9Very high97.1Very high34 Ų3455.4 Ų55.417%0.17435%0.352CS..SBendtrans-123.1118.8-179.2-59.7168.8000107.5Y3 A4 A12 M127 L280 R283Y3-I7 WeakPolarHBondContact O-CG1 3.39Å; A4-I7 PolarHBondContact O-N 3.15Å; I7-A12 HydrophobicContact CG2-CB 3.94Å; I7-M127 CarbonylContact C-O 3.37Å; I7-M127 WeakPolarHBondContact CA-O 3.49Å; I7-M127 HydrophobicContact CG1-CG 4.44Å; I7-L280 HydrophobicContact CD1-CD2 4.03Å; I7-L280 HydrophobicContact CG1-CD2 3.9Å; I7-R283 HydrophobicContact CD1-CG 4.02Å; I7-R283 HydrophobicContact CG1-CG 4.33Å; I7-R283 HydrophobicContact CG2-CG 4.09Å
8T98.9Very high96Very high11 Ų1158 Ų587%0.06737%0.37CS..  trans-61.2156.7175.560.40000111.1A10 S11 A12 M127 I129T8-A10 VanDerWaalsContact C-N 3.26Å; T8-A10 PolarHBondContact O-N 3.03Å; T8-S11 PolarHBondContact O-N 3.04Å; T8-S11 VanDerWaalsContact O-N 3.11Å; T8-S11 VanDerWaalsContact OG1-CB 3.26Å; T8-S11 WeakPolarHBondContact OG1-CB 3.19Å; T8-S11 PolarHBondContact OG1-N 3.4Å; T8-A12 WeakPolarHBondContact O-CB 3.49Å; T8-A12 PolarHBondContact O-N 3.33Å; T8-M127 WeakPolarHBondContact CG2-O 3.4Å; T8-M127 PolarHBondContact N-O 3.03Å; T8-M127 PolarHBondContact OG1-O 3.1Å; T8-I129 WeakPolarHBondContact CG2-O 3.4Å
9A98.8Very high95Very high84 Ų8460 Ų6069%0.69438%0.376SS*.Hα-helixtrans-56-41.8176.900000112.1A12 A13A9-A12 PolarHBondContact O-N 3.49Å; A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 3.31Å
10A98.8Very high94.2Very high72 Ų7259 Ų5960%0.59537%0.365SS*.Hα-helixtrans-64.2-41.2177.400000112.4T8 A13T8-A10 VanDerWaalsContact C-N 3.26Å; T8-A10 PolarHBondContact O-N 3.03Å; A10-A13 PolarHBondContact O-N 2.98Å
11S98.8Very high93.5Very high3 Ų358.7 Ų58.72%0.02136%0.363CS..Hα-helixtrans-68.4-39.8177.2-171.50000112.3T8 A13 R14 R283T8-S11 PolarHBondContact O-N 3.04Å; T8-S11 VanDerWaalsContact O-N 3.11Å; T8-S11 VanDerWaalsContact OG1-CB 3.26Å; T8-S11 WeakPolarHBondContact OG1-CB 3.19Å; T8-S11 PolarHBondContact OG1-N 3.4Å; S11-A13 VanDerWaalsContact C-N 3.32Å; S11-A13 PolarHBondContact O-N 3.44Å; S11-R14 WeakPolarHBondContact O-CB 3.47Å; S11-R14 WeakPolarHBondContact O-CG 3.35Å; S11-R14 PolarHBondContact O-N 3.02Å; S11-R283 WeakPolarHBondContact O-CD 3.4Å; S11-R283 PolarHBondContact O-NH1 3.17Å; S11-R283 WeakPolarHBondContact OG-CB 3.13Å
12A98.6Very high92.8Very high58 Ų5856.7 Ų56.748%0.47936%0.358SS..Hα-helixtrans-64.1-35.8175.100000112.3I7 T8 A9 R14I7-A12 HydrophobicContact CG2-CB 3.94Å; T8-A12 WeakPolarHBondContact O-CB 3.49Å; T8-A12 PolarHBondContact O-N 3.33Å; A9-A12 PolarHBondContact O-N 3.49Å; A12-R14 PolarHBondContact O-N 3.33Å
13A98.5Very high91.8Very high71 Ų7152.4 Ų52.459%0.58734%0.336SS*.THydrogen-bonded Turntrans-71.6-8.1179.600000114.5A9 A10 S11 N15A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 3.31Å; A10-A13 PolarHBondContact O-N 2.98Å; S11-A13 VanDerWaalsContact C-N 3.32Å; S11-A13 PolarHBondContact O-N 3.44Å; A13-N15 PolarHBondContact O-N 2.97Å
14R98Very high90.8Very high68 Ų6854 Ų5426%0.25734%0.344SS..  trans-66.7127.3177.5-63-178.2-175.8-82.31.3110.5S11 A12 R283 L286 H287S11-R14 WeakPolarHBondContact O-CB 3.47Å; S11-R14 WeakPolarHBondContact O-CG 3.35Å; S11-R14 PolarHBondContact O-N 3.02Å; A12-R14 PolarHBondContact O-N 3.33Å; R14-R283 PolarHBondContact O-NH1 3.17Å; R14-L286 HydrophobicContact CB-CB 3.96Å; R14-L286 HydrophobicContact CB-CD1 3.88Å; R14-L286 VanDerWaalsContact O-CD1 3.3Å; R14-L286 WeakPolarHBondContact O-CD1 3.29Å; R14-H287 VanDerWaalsContact CZ-CD2 3.47Å; R14-H287 PolarHBondContact NH1-CD2 3.34Å; R14-H287 PolarHBondContact NH2-CD2 2.9Å; R14-H287 VanDerWaalsContact NH2-CD2 3.27Å; R14-H287 PolarHBondContact NH2-CE1 3.09Å; R14-H287 PolarHBondContact NH2-ND1 3.44Å; R14-H287 PolarHBondContact NH2-NE2 3.44Å
15N96.3Very high89.8Confident136 Ų13655.5 Ų55.573%0.72734%0.341SS*.  trans-105.2149.6173.1-67-49.9000110.8A13 S17A13-N15 PolarHBondContact O-N 2.97Å; N15-S17 PolarHBondContact O-N 3.17Å
16P92.4Very high88.8Confident69 Ų6956.1 Ų56.145%0.44835%0.351SS..  trans-54.8134.6171-23.533.4000112.1P18 L286P16-P18 WeakPolarHBondContact O-CD 3.39Å; P16-L286 HydrophobicContact CB-CD2 4.22Å; P16-L286 HydrophobicContact CG-CD2 4.24Å
17S85.4Confident87.5Confident34 Ų3459.2 Ų59.224%0.23837%0.373CS..  trans-75.3118173.9178.80000110.3N15 I19 R20 T21 Q289N15-S17 PolarHBondContact O-N 3.17Å; S17-I19 VanDerWaalsContact C-N 3.27Å; S17-I19 PolarHBondContact O-N 3.04Å; S17-R20 WeakPolarHBondContact O-CA 3.42Å; S17-R20 WeakPolarHBondContact O-CB 3.49Å; S17-R20 PolarHBondContact O-N 3.23Å; S17-T21 PolarHBondContact O-N 3Å; S17-T21 PolarHBondContact O-OG1 3.26Å; S17-Q289 VanDerWaalsContact N-OE1 3.11Å
18P78.1Confident86.3Confident103 Ų10367.7 Ų67.767%0.66940%0.403SS*.Hα-helixtrans-58.6-35.2-174.3-26.835.5000114.2P16 R20 T21 A22P16-P18 WeakPolarHBondContact O-CD 3.39Å; P18-R20 VanDerWaalsContact C-N 3.27Å; P18-R20 PolarHBondContact O-N 3.06Å; P18-T21 PolarHBondContact O-N 2.76Å; P18-A22 PolarHBondContact O-N 2.93Å
19I76Confident85Confident96 Ų9668.3 Ų68.349%0.49241%0.411SS..Hα-helixtrans-63.7-35.9176.6-65.2174.3000110.8S17 T23S17-I19 VanDerWaalsContact C-N 3.27Å; S17-I19 PolarHBondContact O-N 3.04Å; I19-T23 PolarHBondContact O-N 2.91Å; I19-T23 VanDerWaalsContact O-N 3.14Å; I19-T23 PolarHBondContact O-OG1 3.22Å
20R80Confident83.9Confident40 Ų4068.3 Ų68.315%0.15140%0.404CS..Hα-helixtrans-76.4-40179.6-57.1-60165-163.3-3.7111.4S17 P18 A22 T23 E24 Q289 L293S17-R20 WeakPolarHBondContact O-CA 3.42Å; S17-R20 WeakPolarHBondContact O-CB 3.49Å; S17-R20 PolarHBondContact O-N 3.23Å; P18-R20 VanDerWaalsContact C-N 3.27Å; P18-R20 PolarHBondContact O-N 3.06Å; R20-A22 VanDerWaalsContact C-N 3.29Å; R20-A22 PolarHBondContact O-N 2.87Å; R20-T23 WeakPolarHBondContact O-CB 3.24Å; R20-T23 PolarHBondContact O-N 3.09Å; R20-T23 VanDerWaalsContact O-N 3.08Å; R20-E24 PolarHBondContact O-N 3.28Å; R20-Q289 HydrophobicContact CB-CG 4.3Å; R20-Q289 HydrophobicContact CG-CB 4.46Å; R20-Q289 HydrophobicContact CG-CG 4.26Å; R20-L293 VanDerWaalsContact NH2-CD1 3.32Å
21T78.8Confident82.6Confident53 Ų5375.6 Ų75.633%0.32542%0.423SS..Hα-helixtrans-58.7-41.9170.9-50.40000111.4S17 P18 T23 E24 I25S17-T21 PolarHBondContact O-N 3Å; S17-T21 PolarHBondContact O-OG1 3.26Å; P18-T21 PolarHBondContact O-N 2.76Å; T21-T23 VanDerWaalsContact C-N 3.31Å; T21-T23 PolarHBondContact O-N 3.32Å; T21-E24 PolarHBondContact O-N 2.79Å; T21-I25 HydrophobicContact CG2-CD1 4.12Å; T21-I25 VanDerWaalsContact O-CG1 3.32Å; T21-I25 WeakPolarHBondContact O-CG1 3.28Å; T21-I25 PolarHBondContact O-N 3.04Å
22A79.8Confident81.7Confident31 Ų3180.5 Ų80.526%0.25646%0.456SS..Hα-helixtrans-61.9-37.3174.700000112.7P18 R20 I25 S26P18-A22 PolarHBondContact O-N 2.93Å; R20-A22 VanDerWaalsContact C-N 3.29Å; R20-A22 PolarHBondContact O-N 2.87Å; A22-I25 PolarHBondContact O-N 3.3Å; A22-S26 WeakPolarHBondContact O-CB 3.36Å; A22-S26 PolarHBondContact O-N 3.43Å
23T76.3Confident80.6Confident16 Ų1681.9 Ų81.910%0.09845%0.454CS..Hα-helixtrans-64.9-42.6175.3-52.50000111.5I19 R20 T21 S26 S27I19-T23 PolarHBondContact O-N 2.91Å; I19-T23 VanDerWaalsContact O-N 3.14Å; I19-T23 PolarHBondContact O-OG1 3.22Å; R20-T23 WeakPolarHBondContact O-CB 3.24Å; R20-T23 PolarHBondContact O-N 3.09Å; R20-T23 VanDerWaalsContact O-N 3.08Å; T21-T23 VanDerWaalsContact C-N 3.31Å; T21-T23 PolarHBondContact O-N 3.32Å; T23-S26 PolarHBondContact O-N 3.17Å; T23-S27 WeakPolarHBondContact O-CB 3.5Å; T23-S27 PolarHBondContact O-N 3.07Å
24E78.6Confident79.6Confident49 Ų4985.9 Ų85.923%0.22946%0.464CS..Hα-helixtrans-63.6-43.1175.8-70.5179.3-170.200112.3R20 T21 S27 R28 P76R20-E24 PolarHBondContact O-N 3.28Å; T21-E24 PolarHBondContact O-N 2.79Å; E24-S27 PolarHBondContact O-N 3.28Å; E24-R28 WeakPolarHBondContact O-CG 3.49Å; E24-R28 PolarHBondContact O-N 3.36Å; E24-R28 VanDerWaalsContact O-N 3.08Å; E24-P76 HydrophobicContact CG-CB 4.3Å
25I78.4Confident78.2Confident100 Ų10085.2 Ų85.251%0.51347%0.47SS..Hα-helixtrans-61.3-47.1175.3-67.2165.5000110T21 A22 S27 R28 G29T21-I25 HydrophobicContact CG2-CD1 4.12Å; T21-I25 VanDerWaalsContact O-CG1 3.32Å; T21-I25 WeakPolarHBondContact O-CG1 3.28Å; T21-I25 PolarHBondContact O-N 3.04Å; A22-I25 PolarHBondContact O-N 3.3Å; I25-S27 VanDerWaalsContact C-N 3.25Å; I25-S27 PolarHBondContact O-N 3.36Å; I25-R28 PolarHBondContact O-N 3.04Å; I25-G29 PolarHBondContact O-N 3.08Å
26S76.4Confident77.4Confident51 Ų5187 Ų8736%0.35748%0.478SS..Hα-helixtrans-61.6-34.4178.2-169.80000112.4A22 T23A22-S26 WeakPolarHBondContact O-CB 3.36Å; A22-S26 PolarHBondContact O-N 3.43Å; T23-S26 PolarHBondContact O-N 3.17Å
27S72.1Confident76.4Confident65 Ų6587.5 Ų87.546%0.45549%0.489SS..Hα-helixtrans-74.9-26.2178.1-177.90000113.4T23 E24 I25T23-S27 WeakPolarHBondContact O-CB 3.5Å; T23-S27 PolarHBondContact O-N 3.07Å; E24-S27 PolarHBondContact O-N 3.28Å; I25-S27 VanDerWaalsContact C-N 3.25Å; I25-S27 PolarHBondContact O-N 3.36Å
28R73.5Confident75.8Confident212 Ų21287.7 Ų87.780%0.850%0.496SS*.Hα-helixtrans-98-20.2179.7-67.8-179.1-176.8174.85.4113.4E24 I25E24-R28 WeakPolarHBondContact O-CG 3.49Å; E24-R28 PolarHBondContact O-N 3.36Å; E24-R28 VanDerWaalsContact O-N 3.08Å; I25-R28 PolarHBondContact O-N 3.04Å
29G70.8Confident75.8Confident24 Ų2485.9 Ų85.925%0.24750%0.496CS..SBendtrans-70172.3-17900000113.3I25I25-G29 PolarHBondContact O-N 3.08Å
30P77.1Confident76.2Confident84 Ų8484.7 Ų84.755%0.54549%0.49SS..  trans-58.1141.8174.2-21.133.1000111.1S32 M33P30-S32 PolarHBondContact O-N 2.88Å; P30-M33 VanDerWaalsContact O-CB 3.24Å; P30-M33 WeakPolarHBondContact O-CB 3.05Å; P30-M33 PolarHBondContact O-N 3.02Å
31K71.8Confident76.7Confident225 Ų22585.4 Ų85.498%0.97850%0.5SS*.THydrogen-bonded Turntrans-59.1-20.3177-66.4-172.7179-178.60113.7M33K31-M33 VanDerWaalsContact C-N 3.32Å
32S79.1Confident77.3Confident105 Ų10587.1 Ų87.173%0.73451%0.507SS*.THydrogen-bonded Turntrans-82.8-2.4176.354.50000114.2P30 I34P30-S32 PolarHBondContact O-N 2.88Å; S32-I34 PolarHBondContact O-N 3.32Å
33M75.9Confident77.9Confident88 Ų8887.4 Ų87.443%0.43351%0.506SS..  trans-66.8115.2178.6-176.3178.5-66.400110.4P30 K31P30-M33 VanDerWaalsContact O-CB 3.24Å; P30-M33 WeakPolarHBondContact O-CB 3.05Å; P30-M33 PolarHBondContact O-N 3.02Å; K31-M33 VanDerWaalsContact C-N 3.32Å
34I76Confident78.9Confident155 Ų15590.1 Ų90.180%0.79552%0.52SS*.  trans-83.3115.2169.9-59.1170.9000107.5S32S32-I34 PolarHBondContact O-N 3.32Å
35S69.8Low79.8Confident54 Ų5494.8 Ų94.838%0.37854%0.544SS..  trans-112.2117.4177.3-176.60000110.7A37S35-A37 PolarHBondContact OG-N 2.91Å
36L79Confident80.7Confident172 Ų17292.6 Ų92.690%0.90153%0.53SS*.SBendtrans-99.93.5168.3-60.1179.1000112.2
37A72.4Confident81.8Confident81 Ų8194.9 Ų94.967%0.66954%0.544SS*.SBendtrans-91.8-11.2-176.800000113.1S35S35-A37 PolarHBondContact OG-N 2.91Å
38G71.8Confident83Confident37 Ų3798.4 Ų98.438%0.38155%0.552SS.*  trans-83.9135.3-178.400000112.6L40G38-L40 PolarHBondContact O-N 2.91Å
39G78.6Confident84.2Confident65 Ų6593.1 Ų93.167%0.6753%0.534SS*.  trans-83.733.7169.200000113.4
40L84.3Confident85.5Confident72 Ų7296.1 Ų96.138%0.37755%0.548SS..  trans-83.8126.7-174.9-62.1178.9000110.4G38 Y74G38-L40 PolarHBondContact O-N 2.91Å; L40-Y74 HydrophobicContact CD2-CD2 3.92Å; L40-Y74 HydrophobicContact CD2-CG 4.34Å
41P89.6Confident86.6Confident54 Ų5493 Ų9335%0.35153%0.529SS..  trans-63.6148.317327.9-36000111.1P43 F46 Q73 Y74P41-P43 VanDerWaalsContact O-CD 3.28Å; P41-P43 WeakPolarHBondContact O-CD 3.34Å; P41-F46 HydrophobicContact CB-CE1 4.35Å; P41-F46 HydrophobicContact CB-CZ 4.08Å; P41-F46 HydrophobicContact CG-CE1 4.37Å; P41-F46 HydrophobicContact CG-CZ 3.71Å; P41-Q73 PolarHBondContact O-NE2 3.38Å; P41-Y74 HydrophobicContact CG-CE2 4.4Å
42N92.7Very high87.8Confident90 Ų9087.1 Ų87.148%0.48151%0.512SS..  trans-68.3113.2179.2-174.2-23.1000110.6N44 M45N42-N44 PolarHBondContact O-N 3.05Å; N42-N44 VanDerWaalsContact O-N 3.12Å; N42-N44 WeakPolarHBondContact OD1-CB 3.49Å; N42-N44 PolarHBondContact OD1-N 3.16Å; N42-N44 VanDerWaalsContact OD1-N 3.1Å; N42-N44 PolarHBondContact OD1-ND2 3.34Å; N42-N44 VanDerWaalsContact OD1-ND2 3.14Å; N42-M45 HydrophobicContact CB-CG 4.46Å; N42-M45 PolarHBondContact O-N 3.21Å; N42-M45 VanDerWaalsContact O-N 3.14Å
43P92.3Very high88.8Confident36 Ų3684.2 Ų84.223%0.23449%0.488CS..G310 helixtrans-69.2-14.4-172.229.3-35.8000113.5P41 M45 F46 K69P41-P43 VanDerWaalsContact O-CD 3.28Å; P41-P43 WeakPolarHBondContact O-CD 3.34Å; P43-M45 PolarHBondContact O-N 2.8Å; P43-F46 HydrophobicContact CB-CD2 3.88Å; P43-F46 HydrophobicContact CB-CE2 3.92Å; P43-F46 WeakPolarHBondContact O-CB 3.37Å; P43-F46 PolarHBondContact O-N 2.99Å; P43-F46 VanDerWaalsContact O-N 3.16Å; P43-K69 HydrophobicContact CB-CB 4.01Å; P43-K69 HydrophobicContact CB-CG 4.22Å; P43-K69 HydrophobicContact CG-CB 4.29Å
44N96Very high89.9Confident74 Ų7485.8 Ų85.840%0.39650%0.502SS..G310 helixtrans-65.6-23.2174.9-66-48.7000112.8N42 F46 K49 K69N42-N44 PolarHBondContact O-N 3.05Å; N42-N44 VanDerWaalsContact O-N 3.12Å; N42-N44 WeakPolarHBondContact OD1-CB 3.49Å; N42-N44 PolarHBondContact OD1-N 3.16Å; N42-N44 VanDerWaalsContact OD1-N 3.1Å; N42-N44 PolarHBondContact OD1-ND2 3.34Å; N42-N44 VanDerWaalsContact OD1-ND2 3.14Å; N44-F46 VanDerWaalsContact C-N 3.27Å; N44-K49 PolarHBondContact O-NZ 3.15Å; N44-K69 WeakPolarHBondContact OD1-CE 3.46Å; N44-K69 PolarHBondContact OD1-NZ 3.24Å
45M97.7Very high91Very high147 Ų14780 Ų8072%0.72447%0.474SS*.G310 helixtrans-80.2-8.9177.6-59.6-61.998.100112.8N42 P43N42-M45 HydrophobicContact CB-CG 4.46Å; N42-M45 PolarHBondContact O-N 3.21Å; N42-M45 VanDerWaalsContact O-N 3.14Å; P43-M45 PolarHBondContact O-N 2.8Å
46F98.1Very high92.3Very high53 Ų5385.2 Ų85.223%0.23249%0.493CS..SBendtrans-75.6140.5175.5-56.1-30.7000111P41 P43 N44 K49 L72P41-F46 HydrophobicContact CB-CE1 4.35Å; P41-F46 HydrophobicContact CB-CZ 4.08Å; P41-F46 HydrophobicContact CG-CE1 4.37Å; P41-F46 HydrophobicContact CG-CZ 3.71Å; P43-F46 HydrophobicContact CB-CD2 3.88Å; P43-F46 HydrophobicContact CB-CE2 3.92Å; P43-F46 WeakPolarHBondContact O-CB 3.37Å; P43-F46 PolarHBondContact O-N 2.99Å; P43-F46 VanDerWaalsContact O-N 3.16Å; N44-F46 VanDerWaalsContact C-N 3.27Å; F46-K49 PolarHBondContact O-NZ 3.22Å; F46-L72 HydrophobicContact CB-CD1 3.79Å; F46-L72 HydrophobicContact CD2-CB 3.63Å; F46-L72 HydrophobicContact CD2-CD1 4.28Å; F46-L72 HydrophobicContact CE2-CB 4.16Å; F46-L72 WeakPolarHBondContact CE2-O 3.39Å; F46-L72 HydrophobicContact CG-CB 4.45Å; F46-L72 HydrophobicContact CG-CD1 4.48Å
47P98.4Very high93.2Very high100 Ų10081.5 Ų81.565%0.64947%0.474SS*.SBendtrans-78.9-26.8-16929.8-35.5000113.9
48F98.7Very high94.4Very high139 Ų13979 Ų7961%0.6146%0.456SS*.  trans-81.1128.8-178.4-43-75.9000110.4M68 L72F48-M68 HydrophobicContact CB-SD 4.22Å; F48-M68 VanDerWaalsContact O-CG 3.26Å; F48-M68 WeakPolarHBondContact O-CG 3.4Å; F48-L72 HydrophobicContact CB-CD1 3.91Å; F48-L72 HydrophobicContact CD2-CD1 4.13Å; F48-L72 HydrophobicContact CD2-CD2 3.89Å; F48-L72 WeakPolarHBondContact O-CD1 3.38Å
49K98.3Very high95.7Very high100 Ų10084.1 Ų84.144%0.43547%0.468SS..  trans-110.1-39.8-170.8-59.1-54.7-177.4-167.90113.8N44 F46 E65 M68N44-K49 PolarHBondContact O-NZ 3.15Å; F46-K49 PolarHBondContact O-NZ 3.22Å; K49-E65 WeakPolarHBondContact O-CA 3.32Å; K49-M68 WeakPolarHBondContact O-CB 3.27Å; K49-M68 WeakPolarHBondContact O-CG 3.37Å
50T98.8Very high96.6Very high88 Ų8884.2 Ų84.254%0.5446%0.455SS..  trans-145.3162.217959.20000110.8F63 E65 M68T50-F63 CarbonylContact C-O 3.57Å; T50-F63 WeakPolarHBondContact CA-O 3.23Å; T50-F63 WeakPolarHBondContact CB-O 3.34Å; T50-E65 HydrophobicContact CG2-CG 4.27Å; T50-M68 VanDerWaalsContact O-CE 3.28Å; T50-M68 WeakPolarHBondContact O-CE 3.22Å
51A98.7Very high97.3Very high18 Ų1881.4 Ų81.415%0.14944%0.44CS..EExtended strand (participates in β ladder)trans-141.4146.5169.800000110.5F63 M68 F298A51-F63 HydrophobicContact CB-CB 4.2Å; A51-F63 HydrophobicContact CB-CD2 4.21Å; A51-F63 HydrophobicContact CB-CG 4.46Å; A51-F63 PolarHBondContact N-O 3.12Å; A51-F63 PolarHBondContact O-N 2.63Å; A51-M68 HydrophobicContact CB-CE 3.53Å; A51-F298 HydrophobicContact CB-CE2 4.22Å; A51-F298 HydrophobicContact CB-CZ 4.06Å
52V98.8Very high97.7Very high102 Ų10285.3 Ų85.362%0.61845%0.454SS*.EExtended strand (participates in β ladder)trans-131.2123.3172.7-1780000106.9T60 I61V52-T60 HydrophobicContact CG1-CG2 3.45Å; V52-T60 VanDerWaalsContact CG1-CG2 3.45Å; V52-I61 WeakPolarHBondContact CA-O 3.32Å
53I98.8Very high98Very high44 Ų4481.1 Ų81.123%0.22643%0.432CS..EExtended strand (participates in β ladder)trans-128.5114.2-173.8-54.3171.7000107.4T60 I61 F298 M302I53-T60 WeakPolarHBondContact O-CA 3.46Å; I53-T60 WeakPolarHBondContact O-CG2 3.45Å; I53-I61 HydrophobicContact CB-CB 4.24Å; I53-I61 PolarHBondContact N-O 3.14Å; I53-I61 PolarHBondContact O-N 3.13Å; I53-F298 HydrophobicContact CD1-CE1 4.27Å; I53-F298 HydrophobicContact CD1-CZ 4.25Å; I53-M302 HydrophobicContact CD1-CE 3.68Å; I53-M302 HydrophobicContact CD1-CG 3.69Å; I53-M302 HydrophobicContact CD1-SD 3.72Å; I53-M302 HydrophobicContact CG2-CE 4.25Å
54T98.8Very high98.3Very high120 Ų12081.4 Ų81.474%0.73644%0.441SS*.  trans-75.5147.3177.151.80000110.6
55V98.8Very high98.4Very high34 Ų3483.6 Ų83.621%0.20645%0.449CS..  trans-130.1124.2-178.5-179.80000108.3K59 I61 L306 W310V55-K59 WeakPolarHBondContact CG2-O 3.38Å; V55-I61 HydrophobicContact CG2-CD1 3.92Å; V55-I61 HydrophobicContact CG2-CG1 4.16Å; V55-L306 HydrophobicContact CG1-CD1 3.56Å; V55-L306 HydrophobicContact CG2-CD1 4.36Å; V55-W310 HydrophobicContact CG1-CZ2 4.41Å
56E98.4Very high98.3Very high163 Ų16382.8 Ų82.876%0.76244%0.443SS*.THydrogen-bonded Turntrans-69.4133167.8-169.8178-167.600109.4G58E56-G58 PolarHBondContact O-N 3.16Å
57N97.6Very high98.3Very high95 Ų9583.1 Ų83.151%0.50845%0.446SS..THydrogen-bonded Turntrans58.828.2-175.7-37.7121.5000114.7W310 R321N57-W310 PolarHBondContact O-NE1 3.49Å; N57-R321 PolarHBondContact OD1-NE 2.9Å; N57-R321 PolarHBondContact OD1-NH2 3.17Å
58G97.4Very high98.3Very high28 Ų2878.6 Ų78.629%0.28942%0.416SS..SBendtrans-154.8175.5176.500000112.1E56E56-G58 PolarHBondContact O-N 3.16Å
59K98.3Very high98.2Very high145 Ų14574.1 Ų74.163%0.6340%0.397SS*.PPolyproline II helixtrans-74147.2173.1-64.9-172.4-165.7121.20111.2V55 I61 D309V55-K59 WeakPolarHBondContact CG2-O 3.38Å; K59-I61 PolarHBondContact O-N 2.8Å; K59-D309 WeakPolarHBondContact CB-OD2 3.42Å; K59-D309 WeakPolarHBondContact CD-OD1 3.42Å; K59-D309 VanDerWaalsContact CE-OD1 3.27Å; K59-D309 WeakPolarHBondContact CE-OD1 3.39Å; K59-D309 WeakPolarHBondContact CG-OD1 3.49Å; K59-D309 WeakPolarHBondContact CG-OD2 3.45Å; K59-D309 PolarHBondContact N-OD2 3.28Å; K59-D309 IonicContact NZ-OD1 2.72Å; K59-D309 PolarHBondContact NZ-OD1 3.47Å
60T98.7Very high98.1Very high67 Ų6773.7 Ų73.741%0.41139%0.392SS..PPolyproline II helixtrans-56.4130166.8-59.30000109.6V52 I53 E62V52-T60 HydrophobicContact CG1-CG2 3.45Å; V52-T60 VanDerWaalsContact CG1-CG2 3.45Å; I53-T60 WeakPolarHBondContact O-CA 3.46Å; I53-T60 WeakPolarHBondContact O-CG2 3.45Å; T60-E62 HydrophobicContact CG2-CG 4.36Å
61I98.8Very high98Very high12 Ų1269.7 Ų69.76%0.06237%0.368CS..EExtended strand (participates in β ladder)trans-87.4126.7176.1-69.3166.1000108.4V52 I53 V55 K59 F63 M302 Q305 L306V52-I61 WeakPolarHBondContact CA-O 3.32Å; I53-I61 HydrophobicContact CB-CB 4.24Å; I53-I61 PolarHBondContact N-O 3.14Å; I53-I61 PolarHBondContact O-N 3.13Å; V55-I61 HydrophobicContact CG2-CD1 3.92Å; V55-I61 HydrophobicContact CG2-CG1 4.16Å; K59-I61 PolarHBondContact O-N 2.8Å; I61-F63 HydrophobicContact CG2-CD1 4.04Å; I61-F63 HydrophobicContact CG2-CE1 3.47Å; I61-F63 VanDerWaalsContact CG2-CE1 3.47Å; I61-F63 HydrophobicContact CG2-CZ 4.12Å; I61-M302 WeakPolarHBondContact CD1-O 3.4Å; I61-Q305 HydrophobicContact CD1-CB 4.47Å; I61-Q305 HydrophobicContact CG1-CB 4.29Å; I61-Q305 HydrophobicContact CG2-CB 4.49Å; I61-L306 HydrophobicContact CD1-CB 4.15Å
62E98.6Very high97.9Very high136 Ų13671.2 Ų71.264%0.63637%0.374SS*.EExtended strand (participates in β ladder)trans-121.6124.1-179.2-67.2-176.3-162.900111.2T60T60-E62 HydrophobicContact CG2-CG 4.36Å
63F98.7Very high97.7Very high3 Ų367.6 Ų67.61%0.01335%0.35CS..EExtended strand (participates in β ladder)trans-10598.8168-61.2-8.8000108.4T50 A51 I61 M67 M68 A71 F298 L301 M302 Q305T50-F63 CarbonylContact C-O 3.57Å; T50-F63 WeakPolarHBondContact CA-O 3.23Å; T50-F63 WeakPolarHBondContact CB-O 3.34Å; A51-F63 HydrophobicContact CB-CB 4.2Å; A51-F63 HydrophobicContact CB-CD2 4.21Å; A51-F63 HydrophobicContact CB-CG 4.46Å; A51-F63 PolarHBondContact N-O 3.12Å; A51-F63 PolarHBondContact O-N 2.63Å; I61-F63 HydrophobicContact CG2-CD1 4.04Å; I61-F63 HydrophobicContact CG2-CE1 3.47Å; I61-F63 VanDerWaalsContact CG2-CE1 3.47Å; I61-F63 HydrophobicContact CG2-CZ 4.12Å; F63-M67 HydrophobicContact CB-CB 4.23Å; F63-M67 HydrophobicContact CB-CG 4.1Å; F63-M67 HydrophobicContact CD1-CG 3.71Å; F63-M67 HydrophobicContact CE1-CG 4.38Å; F63-M67 HydrophobicContact CG-CG 3.93Å; F63-M68 HydrophobicContact CB-CE 4.31Å; F63-M68 HydrophobicContact CD2-CE 4.43Å; F63-A71 HydrophobicContact CD2-CB 4.18Å; F63-A71 HydrophobicContact CE2-CB 4.25Å; F63-F298 AromaticContact CD2-CD2 3.94Å; F63-F298 HydrophobicContact CD2-CD2 3.94Å; F63-F298 AromaticContact CD2-CE2 3.49Å; F63-F298 HydrophobicContact CD2-CE2 3.49Å; F63-F298 VanDerWaalsContact CD2-CE2 3.49Å; F63-F298 AromaticContact CD2-CZ 3.99Å; F63-F298 HydrophobicContact CD2-CZ 3.99Å; F63-F298 HydrophobicContact CE2-CD1 4.32Å; F63-F298 AromaticContact CE2-CD2 3.71Å; F63-F298 HydrophobicContact CE2-CD2 3.71Å; F63-F298 HydrophobicContact CE2-CE1 4.17Å; F63-F298 AromaticContact CE2-CE2 3.52Å; F63-F298 HydrophobicContact CE2-CE2 3.52Å; F63-F298 HydrophobicContact CE2-CG 4.09Å; F63-F298 AromaticContact CE2-CZ 3.76Å; F63-F298 HydrophobicContact CE2-CZ 3.76Å; F63-L301 HydrophobicContact CE1-CB 4.21Å; F63-L301 HydrophobicContact CE2-CB 4.35Å; F63-L301 HydrophobicContact CZ-CB 3.68Å; F63-M302 HydrophobicContact CE2-CG 4.24Å; F63-M302 HydrophobicContact CZ-CG 3.88Å; F63-Q305 VanDerWaalsContact CE1-NE2 3.33Å
64G98.3Very high97.4Very high41 Ų4170.2 Ų70.242%0.42336%0.358SS..  trans-66.6175.1164.300000111.8E66 M67 M68G64-E66 PolarHBondContact O-N 3.03Å; G64-M67 PolarHBondContact O-N 2.7Å; G64-M67 VanDerWaalsContact O-N 3.08Å; G64-M68 PolarHBondContact O-N 3.29Å
65E97.9Very high97.1Very high120 Ų12065 Ų6556%0.56133%0.326SS*.Hα-helixtrans-53.3-45.8-170.2-65.9-171.2-170.400114.5K49 T50 M68 K69K49-E65 WeakPolarHBondContact O-CA 3.32Å; T50-E65 HydrophobicContact CG2-CG 4.27Å; E65-M68 PolarHBondContact O-N 2.88Å; E65-K69 WeakPolarHBondContact O-CG 3.35Å; E65-K69 PolarHBondContact O-N 3.3Å
66E96.5Very high96.8Very high131 Ų13164.4 Ų64.461%0.61232%0.323SS*.Hα-helixtrans-69.7-37.9-179.6-67.8-55.3122.600112.5G64 M68 K69 R70G64-E66 PolarHBondContact O-N 3.03Å; E66-M68 VanDerWaalsContact C-N 3.34Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact OE1-CE 3.45Å; E66-K69 IonicContact OE1-NZ 2.94Å; E66-K69 PolarHBondContact OE1-NZ 3.2Å; E66-R70 PolarHBondContact O-N 3.05Å; E66-R70 VanDerWaalsContact O-N 3.11Å
67M97.1Very high96.7Very high60 Ų6056.8 Ų56.830%0.29629%0.288SS..Hα-helixtrans-67.4-38.9175.3-172.960.971.900110.7F63 G64 R70 A71 L301F63-M67 HydrophobicContact CB-CB 4.23Å; F63-M67 HydrophobicContact CB-CG 4.1Å; F63-M67 HydrophobicContact CD1-CG 3.71Å; F63-M67 HydrophobicContact CE1-CG 4.38Å; F63-M67 HydrophobicContact CG-CG 3.93Å; G64-M67 PolarHBondContact O-N 2.7Å; G64-M67 VanDerWaalsContact O-N 3.08Å; M67-R70 WeakPolarHBondContact O-CB 3.44Å; M67-R70 PolarHBondContact O-N 3.16Å; M67-A71 VanDerWaalsContact O-CB 3.31Å; M67-A71 WeakPolarHBondContact O-CB 3.48Å; M67-A71 PolarHBondContact O-N 3.2Å; M67-L301 HydrophobicContact SD-CD1 3.88Å; M67-L301 HydrophobicContact SD-CD2 3.92Å; M67-L301 HydrophobicContact SD-CG 4.5Å
68M98.3Very high96.7Very high5 Ų553 Ų533%0.02527%0.27CS..Hα-helixtrans-63.9-44.7175.5-178.559.476.100111.5F48 K49 T50 A51 F63 G64 E65 E66 R70 A71 L72 F298F48-M68 HydrophobicContact CB-SD 4.22Å; F48-M68 VanDerWaalsContact O-CG 3.26Å; F48-M68 WeakPolarHBondContact O-CG 3.4Å; K49-M68 WeakPolarHBondContact O-CB 3.27Å; K49-M68 WeakPolarHBondContact O-CG 3.37Å; T50-M68 VanDerWaalsContact O-CE 3.28Å; T50-M68 WeakPolarHBondContact O-CE 3.22Å; A51-M68 HydrophobicContact CB-CE 3.53Å; F63-M68 HydrophobicContact CB-CE 4.31Å; F63-M68 HydrophobicContact CD2-CE 4.43Å; G64-M68 PolarHBondContact O-N 3.29Å; E65-M68 PolarHBondContact O-N 2.88Å; E66-M68 VanDerWaalsContact C-N 3.34Å; M68-R70 PolarHBondContact O-N 2.7Å; M68-A71 WeakPolarHBondContact O-CB 3.38Å; M68-A71 PolarHBondContact O-N 2.81Å; M68-A71 HydrophobicContact SD-CB 4.49Å; M68-L72 HydrophobicContact CG-CD1 3.82Å; M68-L72 HydrophobicContact CG-CG 4.23Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.47Å; M68-L72 PolarHBondContact O-N 3.35Å; M68-L72 HydrophobicContact SD-CD1 3.84Å; M68-L72 HydrophobicContact SD-CD2 4.08Å; M68-L72 HydrophobicContact SD-CG 3.75Å; M68-F298 HydrophobicContact CE-CE2 3.84Å; M68-F298 HydrophobicContact SD-CD2 4.22Å; M68-F298 HydrophobicContact SD-CE2 3.97Å
69K96.8Very high96.7Very high44 Ų4451.8 Ų51.819%0.19126%0.257CS..Hα-helixtrans-55.4-42174.3-73.6172.8-163.2173.40111.6P43 N44 E65 E66 Q73P43-K69 HydrophobicContact CB-CB 4.01Å; P43-K69 HydrophobicContact CB-CG 4.22Å; P43-K69 HydrophobicContact CG-CB 4.29Å; N44-K69 WeakPolarHBondContact OD1-CE 3.46Å; N44-K69 PolarHBondContact OD1-NZ 3.24Å; E65-K69 WeakPolarHBondContact O-CG 3.35Å; E65-K69 PolarHBondContact O-N 3.3Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact OE1-CE 3.45Å; E66-K69 IonicContact OE1-NZ 2.94Å; E66-K69 PolarHBondContact OE1-NZ 3.2Å; K69-Q73 WeakPolarHBondContact O-CB 3.42Å; K69-Q73 PolarHBondContact O-N 3.49Å
70R95.7Very high96.7Very high91 Ų9144.9 Ų44.934%0.34323%0.227SC..Hα-helixtrans-65-46173.3-177.8-175.1179.1-156.1-1.6111.9E66 M67 M68 L72 Q73 E82 T297 L301E66-R70 PolarHBondContact O-N 3.05Å; E66-R70 VanDerWaalsContact O-N 3.11Å; M67-R70 WeakPolarHBondContact O-CB 3.44Å; M67-R70 PolarHBondContact O-N 3.16Å; M68-R70 PolarHBondContact O-N 2.7Å; R70-L72 PolarHBondContact O-N 3.32Å; R70-Q73 PolarHBondContact O-N 2.82Å; R70-Q73 VanDerWaalsContact O-N 3.1Å; R70-E82 IonicContact CZ-OE1 2.75Å; R70-E82 IonicContact CZ-OE2 2.87Å; R70-E82 IonicContact NH1-OE1 2.7Å; R70-E82 PolarHBondContact NH1-OE1 2.8Å; R70-E82 IonicContact NH2-OE1 2.66Å; R70-E82 PolarHBondContact NH2-OE1 2.94Å; R70-E82 IonicContact NH2-OE2 3.11Å; R70-E82 PolarHBondContact NH2-OE2 3.38Å; R70-T297 WeakPolarHBondContact O-CG2 3.34Å; R70-L301 HydrophobicContact CG-CD1 4.5Å
71A97.3Very high96.6Very high4 Ų444.9 Ų44.93%0.03323%0.228CC..Hα-helixtrans-62.6-30.1-177.100000113.3F63 M67 M68 T297 F298 L301F63-A71 HydrophobicContact CD2-CB 4.18Å; F63-A71 HydrophobicContact CE2-CB 4.25Å; M67-A71 VanDerWaalsContact O-CB 3.31Å; M67-A71 WeakPolarHBondContact O-CB 3.48Å; M67-A71 PolarHBondContact O-N 3.2Å; M68-A71 WeakPolarHBondContact O-CB 3.38Å; M68-A71 PolarHBondContact O-N 2.81Å; M68-A71 HydrophobicContact SD-CB 4.49Å; A71-T297 WeakPolarHBondContact O-CB 3.26Å; A71-F298 HydrophobicContact CB-CB 4.14Å; A71-F298 HydrophobicContact CB-CD2 3.69Å; A71-F298 HydrophobicContact CB-CG 4.31Å; A71-F298 PolarHBondContact O-N 2.96Å; A71-F298 VanDerWaalsContact O-N 3.09Å; A71-L301 HydrophobicContact CB-CD1 3.65Å
72L97.4Very high96.5Very high51 Ų5146.6 Ų46.627%0.26724%0.236SC..THydrogen-bonded Turntrans-90.1-4177.5-60.2173.7000113.6F46 F48 M68 R70F46-L72 HydrophobicContact CB-CD1 3.79Å; F46-L72 HydrophobicContact CD2-CB 3.63Å; F46-L72 HydrophobicContact CD2-CD1 4.28Å; F46-L72 HydrophobicContact CE2-CB 4.16Å; F46-L72 WeakPolarHBondContact CE2-O 3.39Å; F46-L72 HydrophobicContact CG-CB 4.45Å; F46-L72 HydrophobicContact CG-CD1 4.48Å; F48-L72 HydrophobicContact CB-CD1 3.91Å; F48-L72 HydrophobicContact CD2-CD1 4.13Å; F48-L72 HydrophobicContact CD2-CD2 3.89Å; F48-L72 WeakPolarHBondContact O-CD1 3.38Å; M68-L72 HydrophobicContact CG-CD1 3.82Å; M68-L72 HydrophobicContact CG-CG 4.23Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.47Å; M68-L72 PolarHBondContact O-N 3.35Å; M68-L72 HydrophobicContact SD-CD1 3.84Å; M68-L72 HydrophobicContact SD-CD2 4.08Å; M68-L72 HydrophobicContact SD-CG 3.75Å; R70-L72 PolarHBondContact O-N 3.32Å
73Q94.4Very high96.5Very high26 Ų2640.1 Ų40.112%0.12121%0.206CC..SBendtrans-99.2161.3-176.6-173.156.9-90.600112.3P41 K69 R70 T297P41-Q73 PolarHBondContact O-NE2 3.38Å; K69-Q73 WeakPolarHBondContact O-CB 3.42Å; K69-Q73 PolarHBondContact O-N 3.49Å; R70-Q73 PolarHBondContact O-N 2.82Å; R70-Q73 VanDerWaalsContact O-N 3.1Å; Q73-T297 PolarHBondContact O-OG1 2.87Å
74Y92.1Very high96.5Very high98 Ų9841.3 Ų41.338%0.38421%0.212SC..  trans-55142.9167.3-68.7-69.3000112.4L40 P41 L293 H294L40-Y74 HydrophobicContact CD2-CD2 3.92Å; L40-Y74 HydrophobicContact CD2-CG 4.34Å; P41-Y74 HydrophobicContact CG-CE2 4.4Å; Y74-L293 HydrophobicContact CD1-CD1 4.08Å; Y74-L293 HydrophobicContact CE1-CD1 3.43Å; Y74-L293 VanDerWaalsContact CE1-CD1 3.43Å; Y74-H294 VanDerWaalsContact CA-NE2 3.29Å; Y74-H294 WeakPolarHBondContact CA-NE2 3.34Å; Y74-H294 AromaticContact CD1-NE2 3.32Å; Y74-H294 VanDerWaalsContact CD1-NE2 3.32Å; Y74-H294 WeakPolarHBondContact CD1-NE2 3.43Å
75S91.8Very high96.5Very high10 Ų1042.3 Ų42.37%0.0721%0.212CC..  trans-133.5172.8177.4640000111.7H294 T297S75-H294 PolarHBondContact N-CD2 3.45Å; S75-H294 PolarHBondContact N-NE2 3.07Å; S75-H294 VanDerWaalsContact N-NE2 3.14Å; S75-H294 PolarHBondContact O-CD2 3.38Å; S75-H294 PolarHBondContact OG-ND1 3.12Å; S75-T297 VanDerWaalsContact CB-OG1 3.3Å; S75-T297 WeakPolarHBondContact CB-OG1 3.17Å; S75-T297 PolarHBondContact OG-OG1 2.96Å
76P93.4Very high96.6Very high23 Ų2338 Ų3815%0.14919%0.191CC..  trans-58.9144.1-179.1-25.735.9000113.2E24 A78 G79 H294E24-P76 HydrophobicContact CG-CB 4.3Å; P76-A78 VanDerWaalsContact C-N 3.34Å; P76-A78 PolarHBondContact O-N 3.38Å; P76-G79 PolarHBondContact O-N 2.84Å; P76-H294 WeakPolarHBondContact O-CB 3.47Å
77S96.1Very high96.7Very high2 Ų231.8 Ų31.81%0.01416%0.162CC..THydrogen-bonded Turntrans-62.2-36-172.6-66.80000115.1G79 Q289 L293S77-G79 PolarHBondContact O-N 2.91Å; S77-Q289 VanDerWaalsContact OG-CG 3.25Å; S77-Q289 WeakPolarHBondContact OG-CG 3.33Å; S77-L293 WeakPolarHBondContact CA-O 3.41Å; S77-L293 WeakPolarHBondContact CB-O 3.47Å; S77-L293 PolarHBondContact OG-O 2.98Å
78A97.3Very high96.8Very high17 Ų1731.8 Ų31.814%0.1416%0.16CC..THydrogen-bonded Turntrans-76.9-8.2177.500000113.3P76 L84 V113 I285P76-A78 VanDerWaalsContact C-N 3.34Å; P76-A78 PolarHBondContact O-N 3.38Å; A78-L84 HydrophobicContact CB-CD1 4.22Å; A78-L84 WeakPolarHBondContact O-CD2 3.25Å; A78-V113 WeakPolarHBondContact O-CB 3.39Å; A78-V113 PolarHBondContact O-N 3.01Å; A78-I285 HydrophobicContact CB-CD1 3.9Å; A78-I285 HydrophobicContact CB-CG1 4.2Å
79G97.7Very high96.8Very high1 Ų137.5 Ų37.51%0.0119%0.187CC..  trans117.6166.8-176.600000113.7P76 S77 L84P76-G79 PolarHBondContact O-N 2.84Å; S77-G79 PolarHBondContact O-N 2.91Å; G79-L84 WeakPolarHBondContact O-CD1 3.24Å
80I97.3Very high96.9Very high1 Ų135.7 Ų35.71%0.00518%0.179CC..  trans-68.2142.217865.7177.4000110.6E82 L83 L84 T297 Q300 L301I80-E82 HydrophobicContact CD1-CG 3.92Å; I80-E82 HydrophobicContact CG1-CG 4.17Å; I80-E82 PolarHBondContact O-N 3.4Å; I80-L83 HydrophobicContact CD1-CB 4.19Å; I80-L83 HydrophobicContact CG1-CB 3.61Å; I80-L83 PolarHBondContact O-N 3.02Å; I80-L84 PolarHBondContact O-N 2.8Å; I80-T297 HydrophobicContact CG2-CG2 4.12Å; I80-Q300 HydrophobicContact CD1-CB 3.76Å; I80-Q300 HydrophobicContact CG1-CB 4.01Å; I80-Q300 HydrophobicContact CG2-CB 4.46Å; I80-L301 HydrophobicContact CD1-CD2 3.76Å; I80-L301 HydrophobicContact CD1-CG 3.98Å
81P96.4Very high97Very high66 Ų6631.3 Ų31.343%0.42916%0.163SC..Hα-helixtrans-63.2-37.1-168.722.4-32.8000113.6L84 S85P81-L84 PolarHBondContact O-N 3.14Å; P81-S85 WeakPolarHBondContact O-CB 3.18Å; P81-S85 PolarHBondContact O-N 3.03Å; P81-S85 PolarHBondContact O-OG 3.46Å
82E97.8Very high97.1Very high49 Ų4933.4 Ų33.423%0.22917%0.173CC..Hα-helixtrans-63.5-43.5178.256.1-92.6-125.500111.9R70 I80 S85 W86 S304 H308R70-E82 IonicContact CZ-OE1 2.75Å; R70-E82 IonicContact CZ-OE2 2.87Å; R70-E82 IonicContact NH1-OE1 2.7Å; R70-E82 PolarHBondContact NH1-OE1 2.8Å; R70-E82 IonicContact NH2-OE1 2.66Å; R70-E82 PolarHBondContact NH2-OE1 2.94Å; R70-E82 IonicContact NH2-OE2 3.11Å; R70-E82 PolarHBondContact NH2-OE2 3.38Å; I80-E82 HydrophobicContact CD1-CG 3.92Å; I80-E82 HydrophobicContact CG1-CG 4.17Å; I80-E82 PolarHBondContact O-N 3.4Å; E82-S85 PolarHBondContact O-N 3.3Å; E82-S85 PolarHBondContact O-OG 2.7Å; E82-W86 WeakPolarHBondContact O-CB 3.48Å; E82-W86 PolarHBondContact O-N 2.92Å; E82-S304 VanDerWaalsContact CG-OG 3.25Å; E82-S304 WeakPolarHBondContact CG-OG 3.29Å; E82-H308 PolarHBondContact O-CE1 2.95Å
83L98.7Very high97.2Very high0 Ų036.7 Ų36.70%019%0.185CC..Hα-helixtrans-67.7-45177.4-177.358.7000111I80 S85 W86 L87 V113 Q300 I303 L307I80-L83 HydrophobicContact CD1-CB 4.19Å; I80-L83 HydrophobicContact CG1-CB 3.61Å; I80-L83 PolarHBondContact O-N 3.02Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 2.79Å; L83-W86 PolarHBondContact O-N 2.83Å; L83-L87 HydrophobicContact CD1-CD1 3.97Å; L83-L87 HydrophobicContact CD1-CD2 4.49Å; L83-L87 HydrophobicContact CD1-CG 4Å; L83-L87 HydrophobicContact CG-CD1 3.82Å; L83-L87 HydrophobicContact CG-CG 4.29Å; L83-L87 WeakPolarHBondContact O-CB 3.48Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 2.98Å; L83-V113 HydrophobicContact CD2-CG1 4.25Å; L83-V113 HydrophobicContact CD2-CG2 4.13Å; L83-V113 HydrophobicContact CG-CG2 4.35Å; L83-Q300 HydrophobicContact CD2-CB 3.99Å; L83-Q300 HydrophobicContact CD2-CG 3.99Å; L83-I303 HydrophobicContact CD1-CG2 4.18Å; L83-L307 HydrophobicContact CD1-CD1 3.99Å
84L98.8Very high97.4Very high28 Ų2836.9 Ų36.915%0.14719%0.186CC..Hα-helixtrans-56.6-43.7175.3-80.4173000111.9A78 G79 I80 P81 K88 L111 V113A78-L84 HydrophobicContact CB-CD1 4.22Å; A78-L84 WeakPolarHBondContact O-CD2 3.25Å; G79-L84 WeakPolarHBondContact O-CD1 3.24Å; I80-L84 PolarHBondContact O-N 2.8Å; P81-L84 PolarHBondContact O-N 3.14Å; L84-K88 WeakPolarHBondContact O-CB 3.3Å; L84-K88 VanDerWaalsContact O-CG 3.28Å; L84-K88 WeakPolarHBondContact O-CG 3.28Å; L84-K88 PolarHBondContact O-N 2.87Å; L84-L111 HydrophobicContact CD2-CB 4.46Å; L84-L111 HydrophobicContact CD2-CD2 3.53Å; L84-V113 HydrophobicContact CD2-CG2 3.9Å; L84-V113 HydrophobicContact CG-CG2 4.28Å
85S98.5Very high97.7Very high62 Ų6232.6 Ų32.643%0.43417%0.17SC..Hα-helixtrans-66-45.4-179.771.60000112P81 E82 L83 K88 Q89P81-S85 WeakPolarHBondContact O-CB 3.18Å; P81-S85 PolarHBondContact O-N 3.03Å; P81-S85 PolarHBondContact O-OG 3.46Å; E82-S85 PolarHBondContact O-N 3.3Å; E82-S85 PolarHBondContact O-OG 2.7Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 2.79Å; S85-K88 PolarHBondContact O-N 2.87Å; S85-Q89 WeakPolarHBondContact O-CG 3.29Å; S85-Q89 PolarHBondContact O-N 3.2Å
86W98.9Very high98Very high29 Ų2937.7 Ų37.711%0.1120%0.196CC..Hα-helixtrans-62.5-46.3178-168.6105.6000111.1E82 L83 K88 Q89 L90 L307 H308 F315E82-W86 WeakPolarHBondContact O-CB 3.48Å; E82-W86 PolarHBondContact O-N 2.92Å; L83-W86 PolarHBondContact O-N 2.83Å; W86-K88 PolarHBondContact O-N 3.44Å; W86-Q89 PolarHBondContact O-N 3.23Å; W86-L90 HydrophobicContact CE3-CB 4.19Å; W86-L90 HydrophobicContact CH2-CB 4.38Å; W86-L90 HydrophobicContact CH2-CD1 4.12Å; W86-L90 HydrophobicContact CH2-CD2 4.04Å; W86-L90 HydrophobicContact CH2-CG 4.4Å; W86-L90 HydrophobicContact CZ3-CB 3.83Å; W86-L90 HydrophobicContact CZ3-CD1 4.32Å; W86-L90 HydrophobicContact CZ3-CD2 3.57Å; W86-L90 HydrophobicContact CZ3-CG 4.08Å; W86-L90 PolarHBondContact O-N 2.94Å; W86-L307 HydrophobicContact CD2-CB 3.95Å; W86-L307 HydrophobicContact CD2-CD1 4.3Å; W86-L307 HydrophobicContact CE3-CB 4.25Å; W86-L307 HydrophobicContact CE3-CD1 3.79Å; W86-L307 HydrophobicContact CE3-CG 4.49Å; W86-L307 HydrophobicContact CG-CB 4.48Å; W86-L307 HydrophobicContact CH2-CB 4.21Å; W86-L307 HydrophobicContact CH2-CD1 4.24Å; W86-L307 HydrophobicContact CH2-CD2 3.76Å; W86-L307 HydrophobicContact CH2-CG 4.28Å; W86-L307 HydrophobicContact CZ2-CB 3.86Å; W86-L307 HydrophobicContact CZ2-CD2 4.1Å; W86-L307 HydrophobicContact CZ2-CG 4.42Å; W86-L307 HydrophobicContact CZ3-CB 4.37Å; W86-L307 HydrophobicContact CZ3-CD1 3.75Å; W86-L307 HydrophobicContact CZ3-CD2 4.1Å; W86-L307 HydrophobicContact CZ3-CG 4.29Å; W86-L307 PolarHBondContact NE1-O 2.94Å; W86-H308 AromaticContact CD1-CD2 3.99Å; W86-H308 AromaticContact CD1-CE1 3.7Å; W86-H308 AromaticContact CD1-CG 3.96Å; W86-H308 AromaticContact CD1-ND1 3.76Å; W86-H308 AromaticContact CD1-NE2 3.85Å; W86-H308 AromaticContact CG-CE1 3.92Å; W86-F315 HydrophobicContact CH2-CB 4.13Å; W86-F315 AromaticContact CH2-CD1 3.94Å; W86-F315 HydrophobicContact CH2-CD1 3.94Å; W86-F315 HydrophobicContact CH2-CD2 4.48Å; W86-F315 AromaticContact CH2-CG 3.91Å; W86-F315 HydrophobicContact CH2-CG 3.91Å; W86-F315 HydrophobicContact CZ2-CB 4.27Å
87L98.9Very high98.3Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-64-40.6177.8-67.1174.1000112.1L83 Q89 L90 Q91 L111 V113 F261 F273L83-L87 HydrophobicContact CD1-CD1 3.97Å; L83-L87 HydrophobicContact CD1-CD2 4.49Å; L83-L87 HydrophobicContact CD1-CG 4Å; L83-L87 HydrophobicContact CG-CD1 3.82Å; L83-L87 HydrophobicContact CG-CG 4.29Å; L83-L87 WeakPolarHBondContact O-CB 3.48Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 2.98Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.39Å; L87-L90 WeakPolarHBondContact O-CB 3.39Å; L87-L90 PolarHBondContact O-N 3.06Å; L87-Q91 WeakPolarHBondContact O-CG 3.28Å; L87-Q91 PolarHBondContact O-N 3.26Å; L87-L111 HydrophobicContact CB-CD1 3.93Å; L87-L111 HydrophobicContact CB-CD2 4.09Å; L87-L111 HydrophobicContact CD1-CD2 4.05Å; L87-V113 HydrophobicContact CD1-CG2 4.07Å; L87-F261 HydrophobicContact CD2-CE2 3.85Å; L87-F261 HydrophobicContact CD2-CZ 3.59Å; L87-F273 HydrophobicContact CD1-CB 4.32Å; L87-F273 HydrophobicContact CD1-CD1 3.91Å; L87-F273 HydrophobicContact CD1-CE1 4.39Å; L87-F273 HydrophobicContact CD1-CG 4.06Å; L87-F273 HydrophobicContact CD2-CD1 4.09Å; L87-F273 HydrophobicContact CD2-CE1 3.73Å; L87-F273 HydrophobicContact CD2-CZ 4.05Å
88K98.8Very high98.4Very high61 Ų6138.7 Ų38.727%0.26520%0.203SC..Hα-helixtrans-60.6-40.8175.1-78.5-178.8178.6-165.90111.7L84 S85 W86 Q91 I92 D110 L111L84-K88 WeakPolarHBondContact O-CB 3.3Å; L84-K88 VanDerWaalsContact O-CG 3.28Å; L84-K88 WeakPolarHBondContact O-CG 3.28Å; L84-K88 PolarHBondContact O-N 2.87Å; S85-K88 PolarHBondContact O-N 2.87Å; W86-K88 PolarHBondContact O-N 3.44Å; K88-Q91 PolarHBondContact O-N 3.06Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.13Å; K88-I92 PolarHBondContact O-N 3.21Å; K88-I92 VanDerWaalsContact O-N 3.09Å; K88-D110 IonicContact NZ-OD1 3.93Å; K88-D110 PolarHBondContact NZ-OD1 2.93Å; K88-L111 HydrophobicContact CG-CB 3.99Å; K88-L111 HydrophobicContact CG-CD1 4.17Å
89Q98.8Very high98.5Very high125 Ų12538 Ų3858%0.58420%0.197SC*.Hα-helixtrans-65.3-42.4174.5-66.6-54.6-4500111.8S85 W86 L87 Q91 I92 K93S85-Q89 WeakPolarHBondContact O-CG 3.29Å; S85-Q89 PolarHBondContact O-N 3.2Å; W86-Q89 PolarHBondContact O-N 3.23Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.39Å; Q89-Q91 PolarHBondContact O-N 3.11Å; Q89-I92 PolarHBondContact O-N 3.14Å; Q89-K93 PolarHBondContact O-N 2.78Å
90L98.8Very high98.5Very high5 Ų539 Ų393%0.02620%0.203CC..Hα-helixtrans-58.3-47174.7-176.571.7000111.5W86 L87 I92 K93 L94 F235 F315W86-L90 HydrophobicContact CE3-CB 4.19Å; W86-L90 HydrophobicContact CH2-CB 4.38Å; W86-L90 HydrophobicContact CH2-CD1 4.12Å; W86-L90 HydrophobicContact CH2-CD2 4.04Å; W86-L90 HydrophobicContact CH2-CG 4.4Å; W86-L90 HydrophobicContact CZ3-CB 3.83Å; W86-L90 HydrophobicContact CZ3-CD1 4.32Å; W86-L90 HydrophobicContact CZ3-CD2 3.57Å; W86-L90 HydrophobicContact CZ3-CG 4.08Å; W86-L90 PolarHBondContact O-N 2.94Å; L87-L90 WeakPolarHBondContact O-CB 3.39Å; L87-L90 PolarHBondContact O-N 3.06Å; L90-I92 VanDerWaalsContact C-N 3.32Å; L90-I92 PolarHBondContact O-N 2.8Å; L90-K93 PolarHBondContact O-N 2.84Å; L90-L94 HydrophobicContact CD1-CD1 3.7Å; L90-L94 HydrophobicContact CD1-CG 3.9Å; L90-L94 HydrophobicContact CD2-CD1 4.05Å; L90-L94 HydrophobicContact CG-CD1 3.63Å; L90-L94 HydrophobicContact CG-CG 4.11Å; L90-L94 WeakPolarHBondContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.16Å; L90-L94 PolarHBondContact O-N 3.28Å; L90-F235 HydrophobicContact CD2-CZ 4.22Å; L90-F315 HydrophobicContact CD1-CD1 4.14Å; L90-F315 HydrophobicContact CD1-CE1 4.09Å; L90-F315 HydrophobicContact CD2-CD1 4.48Å; L90-F315 HydrophobicContact CD2-CE1 3.86Å; L90-F315 HydrophobicContact CD2-CZ 4.36Å
91Q98.9Very high98.5Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-61.4-40.3178.3-65.3-55.390.300111.9L87 K88 Q89 H95 N96 M109 L111 D259 F273 T275L87-Q91 WeakPolarHBondContact O-CG 3.28Å; L87-Q91 PolarHBondContact O-N 3.26Å; K88-Q91 PolarHBondContact O-N 3.06Å; Q89-Q91 PolarHBondContact O-N 3.11Å; Q91-H95 WeakPolarHBondContact O-CA 3.49Å; Q91-H95 VanDerWaalsContact O-CB 3.31Å; Q91-H95 WeakPolarHBondContact O-CB 3.49Å; Q91-H95 PolarHBondContact O-N 3.44Å; Q91-N96 PolarHBondContact O-N 2.94Å; Q91-M109 HydrophobicContact CB-SD 4.41Å; Q91-L111 HydrophobicContact CG-CD1 3.83Å; Q91-D259 PolarHBondContact NE2-OD2 3.48Å; Q91-D259 VanDerWaalsContact NE2-OD2 3.08Å; Q91-F273 HydrophobicContact CG-CE2 4.17Å; Q91-T275 HydrophobicContact CG-CG2 4.37Å; Q91-T275 PolarHBondContact NE2-OG1 3.15Å
92I98.8Very high98.6Very high47 Ų4747.3 Ų47.324%0.24123%0.233CC..Hα-helixtrans-63.2-44.4175.2-67.5166.4000110.4K88 Q89 L90 N96 V100 M109K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.13Å; K88-I92 PolarHBondContact O-N 3.21Å; K88-I92 VanDerWaalsContact O-N 3.09Å; Q89-I92 PolarHBondContact O-N 3.14Å; L90-I92 VanDerWaalsContact C-N 3.32Å; L90-I92 PolarHBondContact O-N 2.8Å; I92-N96 WeakPolarHBondContact O-CA 3.43Å; I92-N96 PolarHBondContact O-N 3.37Å; I92-V100 HydrophobicContact CD1-CG1 4.05Å; I92-V100 HydrophobicContact CD1-CG2 4.33Å; I92-V100 HydrophobicContact CG1-CG1 4.44Å; I92-V100 HydrophobicContact CG1-CG2 3.83Å; I92-M109 HydrophobicContact CD1-CE 4.36Å; I92-M109 HydrophobicContact CG1-CE 4.07Å
93K98.5Very high98.7Very high120 Ų12048 Ų4852%0.52224%0.241SC..Hα-helixtrans-65.5-47.8-179.8-164.8-79.6-172.578.90111.6Q89 L90 E312Q89-K93 PolarHBondContact O-N 2.78Å; L90-K93 PolarHBondContact O-N 2.84Å; K93-E312 WeakPolarHBondContact CD-OE1 3.35Å; K93-E312 VanDerWaalsContact CE-OE1 3.25Å; K93-E312 WeakPolarHBondContact CE-OE1 3.25Å; K93-E312 WeakPolarHBondContact CG-OE1 3.39Å; K93-E312 IonicContact NZ-OE1 3.06Å; K93-E312 PolarHBondContact NZ-OE1 3.33Å; K93-E312 IonicContact NZ-OE2 3.95Å; K93-E312 PolarHBondContact NZ-OE2 3.02Å
94L98.5Very high98.6Very high30 Ų3051.2 Ų51.216%0.15726%0.263CS..Hα-helixtrans-77.2-31-174.1-66.6179.9000113.7L90 Y234 F235L90-L94 HydrophobicContact CD1-CD1 3.7Å; L90-L94 HydrophobicContact CD1-CG 3.9Å; L90-L94 HydrophobicContact CD2-CD1 4.05Å; L90-L94 HydrophobicContact CG-CD1 3.63Å; L90-L94 HydrophobicContact CG-CG 4.11Å; L90-L94 WeakPolarHBondContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.16Å; L90-L94 PolarHBondContact O-N 3.28Å; L94-Y234 HydrophobicContact CD1-CE1 4.09Å; L94-F235 HydrophobicContact CD1-CE1 3.69Å; L94-F235 HydrophobicContact CD1-CZ 3.77Å
95H98.8Very high98.6Very high9 Ų954.2 Ų54.24%0.04229%0.286CS..Hα-helixtrans-126.3-19.7-169.2-51-48.1000113.7Q91 P97 Y234 T245 L247 S248Q91-H95 WeakPolarHBondContact O-CA 3.49Å; Q91-H95 VanDerWaalsContact O-CB 3.31Å; Q91-H95 WeakPolarHBondContact O-CB 3.49Å; Q91-H95 PolarHBondContact O-N 3.44Å; H95-P97 HydrophobicContact CB-CG 4.01Å; H95-Y234 AromaticContact CE1-CE1 3.9Å; H95-Y234 AromaticContact CE1-CE2 3.96Å; H95-Y234 AromaticContact CE1-CZ 3.55Å; H95-T245 PolarHBondContact ND1-OG1 3.49Å; H95-L247 HydrophobicContact CB-CD2 4.33Å; H95-S248 WeakPolarHBondContact O-CA 3.38Å; H95-S248 WeakPolarHBondContact O-CB 3.42Å
96N98.7Very high98.6Very high116 Ų11656.9 Ų56.962%0.6229%0.291SS*.  trans38.759.1-172.5-172.736000113.3Q91 I92Q91-N96 PolarHBondContact O-N 2.94Å; I92-N96 WeakPolarHBondContact O-CA 3.43Å; I92-N96 PolarHBondContact O-N 3.37Å
97P98.8Very high98.5Very high3 Ų355.5 Ų55.52%0.01929%0.286CS..  trans-61.2133.9-169.7-24.537.7000111H95 T99 V100 M109 L247H95-P97 HydrophobicContact CB-CG 4.01Å; P97-T99 PolarHBondContact O-N 2.88Å; P97-V100 HydrophobicContact CB-CG2 4.3Å; P97-V100 VanDerWaalsContact O-CG2 3.22Å; P97-V100 WeakPolarHBondContact O-CG2 3.39Å; P97-V100 PolarHBondContact O-N 3.37Å; P97-M109 HydrophobicContact CB-SD 4.08Å; P97-M109 HydrophobicContact CG-SD 3.68Å; P97-L247 HydrophobicContact CB-CD1 4.12Å; P97-L247 HydrophobicContact CB-CG 4.13Å; P97-L247 HydrophobicContact CG-CD1 4.22Å; P97-L247 HydrophobicContact CG-CD2 3.98Å; P97-L247 HydrophobicContact CG-CG 3.81Å
98P98.8Very high98.5Very high43 Ų4358.3 Ų58.328%0.27930%0.299SS..THydrogen-bonded Turntrans-58.6-22-179.5-25.434.4000113.7Y102 V251P98-Y102 WeakPolarHBondContact O-CD1 3.42Å; P98-Y102 WeakPolarHBondContact O-CE1 3.42Å; P98-V251 HydrophobicContact CB-CB 4.32Å; P98-V251 HydrophobicContact CB-CG1 3.85Å; P98-V251 HydrophobicContact CG-CB 4.45Å; P98-V251 HydrophobicContact CG-CG1 3.64Å
99T98.6Very high98.5Very high3 Ų356 Ų562%0.01829%0.29CS..THydrogen-bonded Turntrans-85.6-0.4-172.952.50000114.9P97 H101 Y102 G107 Q108 M109 D250P97-T99 PolarHBondContact O-N 2.88Å; T99-H101 PolarHBondContact O-N 3.24Å; T99-Y102 HydrophobicContact CG2-CD2 3.87Å; T99-Y102 HydrophobicContact CG2-CE2 3.9Å; T99-Y102 HydrophobicContact CG2-CG 4.45Å; T99-Y102 PolarHBondContact O-N 3.41Å; T99-G107 WeakPolarHBondContact CB-O 3.22Å; T99-Q108 WeakPolarHBondContact O-CA 3.23Å; T99-M109 PolarHBondContact O-N 3.43Å; T99-D250 WeakPolarHBondContact CG2-O 3.33Å
100V98.4Very high98.5Very high22 Ų2250.9 Ų50.913%0.13327%0.267CS..THydrogen-bonded Turntrans-53.8-40.6-176.2171.10000112.6I92 P97 Q108 M109I92-V100 HydrophobicContact CD1-CG1 4.05Å; I92-V100 HydrophobicContact CD1-CG2 4.33Å; I92-V100 HydrophobicContact CG1-CG1 4.44Å; I92-V100 HydrophobicContact CG1-CG2 3.83Å; P97-V100 HydrophobicContact CB-CG2 4.3Å; P97-V100 VanDerWaalsContact O-CG2 3.22Å; P97-V100 WeakPolarHBondContact O-CG2 3.39Å; P97-V100 PolarHBondContact O-N 3.37Å; V100-Q108 PolarHBondContact O-NE2 3.27Å; V100-M109 HydrophobicContact CG2-CB 4.49Å; V100-M109 HydrophobicContact CG2-CE 3.95Å; V100-M109 HydrophobicContact CG2-SD 3.97Å
101H98.3Very high98.5Very high170 Ų17050.7 Ų50.779%0.78727%0.266SS*.THydrogen-bonded Turntrans-108.111.5-176-59.7-58.3000114.1T99T99-H101 PolarHBondContact O-N 3.24Å
102Y98.5Very high98.5Very high72 Ų7250.7 Ų50.728%0.28227%0.266SS..SBendtrans-67.8157.9179-80.320000111.5P98 T99 Q108 V251P98-Y102 WeakPolarHBondContact O-CD1 3.42Å; P98-Y102 WeakPolarHBondContact O-CE1 3.42Å; T99-Y102 HydrophobicContact CG2-CD2 3.87Å; T99-Y102 HydrophobicContact CG2-CE2 3.9Å; T99-Y102 HydrophobicContact CG2-CG 4.45Å; T99-Y102 PolarHBondContact O-N 3.41Å; Y102-Q108 VanDerWaalsContact O-CB 3.24Å; Y102-Q108 WeakPolarHBondContact O-CB 3.27Å; Y102-Q108 VanDerWaalsContact O-CG 3.26Å; Y102-Q108 WeakPolarHBondContact O-CG 3.4Å; Y102-V251 VanDerWaalsContact CE2-O 3.3Å; Y102-V251 WeakPolarHBondContact CE2-O 3.15Å; Y102-V251 PolarHBondContact OH-O 3.41Å
103P98.5Very high98.5Very high62 Ų6248.5 Ų48.540%0.40325%0.254SS..  trans-57.6139.8166.1-23.534.1000111.3S105 Q106 G107 Q108P103-S105 VanDerWaalsContact C-N 3.31Å; P103-S105 PolarHBondContact O-N 3.26Å; P103-Q106 HydrophobicContact CB-CB 4.27Å; P103-Q106 HydrophobicContact CB-CG 4.35Å; P103-Q106 HydrophobicContact CG-CB 4.49Å; P103-Q106 CarbonylContact O-C 3.55Å; P103-Q106 WeakPolarHBondContact O-CA 3.35Å; P103-Q106 PolarHBondContact O-N 2.78Å; P103-G107 PolarHBondContact O-N 2.84Å; P103-Q108 PolarHBondContact O-N 3.05Å
104P98.1Very high98.6Very high69 Ų6942.8 Ų42.845%0.44823%0.229SC..G310 helixtrans-43.8-50.4176.5-37.840000115Q106 G107 K278 P279P104-Q106 PolarHBondContact O-N 2.81Å; P104-G107 PolarHBondContact O-N 3.32Å; P104-K278 HydrophobicContact CB-CD 3.97Å; P104-K278 HydrophobicContact CG-CD 4.43Å; P104-P279 VanDerWaalsContact O-CD 3.31Å; P104-P279 WeakPolarHBondContact O-CD 3.39Å; P104-P279 WeakPolarHBondContact O-CG 3.32Å
105S97.9Very high98.6Very high91 Ų9142.7 Ų42.764%0.63623%0.231SC*.G310 helixtrans-69.7-17.6-177.8550000114P103P103-S105 VanDerWaalsContact C-N 3.31Å; P103-S105 PolarHBondContact O-N 3.26Å
106Q97.7Very high98.5Very high117 Ų11742.3 Ų42.355%0.54723%0.23SC..G310 helixtrans-100.812.9177.8-65.1-170.1-18.500112.7P103 P104P103-Q106 HydrophobicContact CB-CB 4.27Å; P103-Q106 HydrophobicContact CB-CG 4.35Å; P103-Q106 HydrophobicContact CG-CB 4.49Å; P103-Q106 CarbonylContact O-C 3.55Å; P103-Q106 WeakPolarHBondContact O-CA 3.35Å; P103-Q106 PolarHBondContact O-N 2.78Å; P104-Q106 PolarHBondContact O-N 2.81Å
107G98.4Very high98.5Very high0 Ų037.5 Ų37.50%021%0.205CC..THydrogen-bonded Turntrans95.935170.800000115Y3 T99 P103 P104 M109Y3-G107 WeakPolarHBondContact OH-CA 3.34Å; T99-G107 WeakPolarHBondContact CB-O 3.22Å; P103-G107 PolarHBondContact O-N 2.84Å; P104-G107 PolarHBondContact O-N 3.32Å; G107-M109 PolarHBondContact O-N 3.21Å
108Q98.8Very high98.5Very high59 Ų5940.9 Ų40.928%0.27622%0.221SC..  trans-45135.6168.5-166.9177.524.400111.2T99 V100 Y102 P103 D110 K278T99-Q108 WeakPolarHBondContact O-CA 3.23Å; V100-Q108 PolarHBondContact O-NE2 3.27Å; Y102-Q108 VanDerWaalsContact O-CB 3.24Å; Y102-Q108 WeakPolarHBondContact O-CB 3.27Å; Y102-Q108 VanDerWaalsContact O-CG 3.26Å; Y102-Q108 WeakPolarHBondContact O-CG 3.4Å; P103-Q108 PolarHBondContact O-N 3.05Å; Q108-D110 PolarHBondContact O-N 3.34Å; Q108-K278 HydrophobicContact CB-CB 4.43Å; Q108-K278 WeakPolarHBondContact O-CB 3.38Å; Q108-K278 PolarHBondContact O-N 2.88Å
109M98.8Very high98.5Very high13 Ų1340.3 Ų40.36%0.06421%0.214CC..EExtended strand (participates in β ladder)trans-56.3123174.1-172.7-170.773.800110Q91 I92 P97 T99 V100 G107 T275Q91-M109 HydrophobicContact CB-SD 4.41Å; I92-M109 HydrophobicContact CD1-CE 4.36Å; I92-M109 HydrophobicContact CG1-CE 4.07Å; P97-M109 HydrophobicContact CB-SD 4.08Å; P97-M109 HydrophobicContact CG-SD 3.68Å; T99-M109 PolarHBondContact O-N 3.43Å; V100-M109 HydrophobicContact CG2-CB 4.49Å; V100-M109 HydrophobicContact CG2-CE 3.95Å; V100-M109 HydrophobicContact CG2-SD 3.97Å; G107-M109 PolarHBondContact O-N 3.21Å; M109-T275 HydrophobicContact CG-CG2 3.65Å; M109-T275 HydrophobicContact SD-CG2 3.92Å
110D98.8Very high98.5Very high18 Ų1840.2 Ų40.210%0.09621%0.214CC..EExtended strand (participates in β ladder)trans-128.8163.7168.9-147.5-0.3000111K88 Q108 T275 G276 K278 I281K88-D110 IonicContact NZ-OD1 3.93Å; K88-D110 PolarHBondContact NZ-OD1 2.93Å; Q108-D110 PolarHBondContact O-N 3.34Å; D110-T275 WeakPolarHBondContact O-CA 3.26Å; D110-G276 PolarHBondContact N-O 2.87Å; D110-G276 PolarHBondContact O-N 3.37Å; D110-K278 HydrophobicContact CB-CB 4.01Å; D110-K278 HydrophobicContact CB-CG 4.18Å; D110-K278 IonicContact OD2-NZ 3.96Å; D110-K278 PolarHBondContact OD2-NZ 3.18Å; D110-I281 HydrophobicContact CB-CB 4.28Å; D110-I281 HydrophobicContact CB-CG1 4.43Å; D110-I281 HydrophobicContact CB-CG2 4.25Å
111L98.8Very high98.6Very high1 Ų139.3 Ų39.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-137.1138-173.9-162.7146.3000110.6L84 L87 K88 Q91 V113 F273 L274L84-L111 HydrophobicContact CD2-CB 4.46Å; L84-L111 HydrophobicContact CD2-CD2 3.53Å; L87-L111 HydrophobicContact CB-CD1 3.93Å; L87-L111 HydrophobicContact CB-CD2 4.09Å; L87-L111 HydrophobicContact CD1-CD2 4.05Å; K88-L111 HydrophobicContact CG-CB 3.99Å; K88-L111 HydrophobicContact CG-CD1 4.17Å; Q91-L111 HydrophobicContact CG-CD1 3.83Å; L111-V113 HydrophobicContact CD2-CG2 4.49Å; L111-F273 HydrophobicContact CD1-CD2 3.84Å; L111-F273 HydrophobicContact CD1-CE2 4.22Å; L111-F273 HydrophobicContact CD2-CB 3.96Å; L111-F273 HydrophobicContact CD2-CD2 4.21Å; L111-F273 HydrophobicContact CD2-CG 4.34Å; L111-F273 HydrophobicContact CG-CD2 4.1Å; L111-L274 VanDerWaalsContact CA-O 3.26Å; L111-L274 WeakPolarHBondContact CA-O 3.25Å; L111-L274 WeakPolarHBondContact CG-O 3.42Å
112C98.9Very high98.6Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-130.4120.5174.6-178.20000109.3F273 L274 I281 I285 I288C112-F273 CarbonylContact O-C 3.55Å; C112-F273 VanDerWaalsContact O-CA 3.22Å; C112-F273 WeakPolarHBondContact O-CA 3.46Å; C112-F273 WeakPolarHBondContact O-CB 3.35Å; C112-L274 PolarHBondContact N-O 3.15Å; C112-L274 PolarHBondContact O-N 3.28Å; C112-I281 HydrophobicContact CB-CG2 3.92Å; C112-I285 HydrophobicContact CB-CD1 4.36Å; C112-I285 HydrophobicContact CB-CG1 4.05Å; C112-I288 VanDerWaalsContact SG-CD1 3.57Å
113V98.9Very high98.6Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-68.2134166.2-170.60000108A78 L83 L84 L87 L111 I271 G272 P295 Q300A78-V113 WeakPolarHBondContact O-CB 3.39Å; A78-V113 PolarHBondContact O-N 3.01Å; L83-V113 HydrophobicContact CD2-CG1 4.25Å; L83-V113 HydrophobicContact CD2-CG2 4.13Å; L83-V113 HydrophobicContact CG-CG2 4.35Å; L84-V113 HydrophobicContact CD2-CG2 3.9Å; L84-V113 HydrophobicContact CG-CG2 4.28Å; L87-V113 HydrophobicContact CD1-CG2 4.07Å; L111-V113 HydrophobicContact CD2-CG2 4.49Å; V113-I271 HydrophobicContact CG1-CD1 4.49Å; V113-I271 HydrophobicContact CG1-CG2 3.93Å; V113-G272 WeakPolarHBondContact CA-O 3.37Å; V113-G272 WeakPolarHBondContact CG1-O 3.42Å; V113-P295 HydrophobicContact CB-CG 4.11Å; V113-P295 HydrophobicContact CG1-CB 4.32Å; V113-P295 HydrophobicContact CG1-CG 3.81Å; V113-P295 WeakPolarHBondContact O-CG 3.46Å; V113-Q300 HydrophobicContact CG1-CG 4.41Å
114T98.9Very high98.6Very high0 Ų027.4 Ų27.40%015%0.154CC..EExtended strand (participates in β ladder)trans-122.6160.1-178.762.20000110.5G116 G272 L274 I288T114-G116 WeakPolarHBondContact CB-O 3.42Å; T114-G116 PolarHBondContact O-N 3.11Å; T114-G116 PolarHBondContact OG1-O 3.4Å; T114-G272 PolarHBondContact N-O 3.36Å; T114-G272 PolarHBondContact O-N 3.37Å; T114-G272 VanDerWaalsContact O-N 3.1Å; T114-L274 HydrophobicContact CG2-CD1 4.5Å; T114-L274 HydrophobicContact CG2-CG 4.23Å; T114-I288 HydrophobicContact CG2-CD1 4.31Å
115S98.8Very high98.7Very high29 Ų2924.2 Ų24.220%0.20313%0.133CC..SBendtrans-73.960.7175.1-61.50000111.5R270S115-R270 CarbonylContact C-O 3.1Å; S115-R270 WeakPolarHBondContact CA-O 3.38Å
116G98.3Very high98.7Very high1 Ų123.3 Ų23.31%0.0112%0.119CC..SBendtrans88.9150.6-165.500000111.9T114 Q118 Q119 R270T114-G116 WeakPolarHBondContact CB-O 3.42Å; T114-G116 PolarHBondContact O-N 3.11Å; T114-G116 PolarHBondContact OG1-O 3.4Å; G116-Q118 VanDerWaalsContact C-N 3.29Å; G116-Q118 PolarHBondContact O-N 3.23Å; G116-Q119 WeakPolarHBondContact O-CB 3.28Å; G116-Q119 PolarHBondContact O-N 3.34Å; G116-Q119 VanDerWaalsContact O-N 3.16Å; G116-R270 VanDerWaalsContact N-C 3.31Å; G116-R270 PolarHBondContact N-O 3.34Å
117S98.4Very high98.8Very high14 Ų1417.9 Ų17.910%0.0989%0.093CC..Hα-helixtrans-59.1-37.9-177.360.20000112.9Q119 G120 L121 D259S117-Q119 VanDerWaalsContact C-N 3.26Å; S117-Q119 PolarHBondContact O-N 3.4Å; S117-G120 WeakPolarHBondContact O-CA 3.45Å; S117-G120 PolarHBondContact O-N 2.87Å; S117-L121 PolarHBondContact O-N 3.03Å; S117-D259 WeakPolarHBondContact CB-O 3.3Å
118Q98.7Very high98.8Very high75 Ų7518 Ų1835%0.359%0.094SC..Hα-helixtrans-62.7-28.2179.3-166.717520.900113.6G116 G120 L121 C122G116-Q118 VanDerWaalsContact C-N 3.29Å; G116-Q118 PolarHBondContact O-N 3.23Å; Q118-G120 VanDerWaalsContact C-N 3.32Å; Q118-L121 PolarHBondContact O-N 3.47Å; Q118-C122 VanDerWaalsContact O-CB 3.32Å; Q118-C122 WeakPolarHBondContact O-CB 3.35Å; Q118-C122 PolarHBondContact O-N 3.47Å
119Q98.8Very high98.8Very high31 Ų3115.7 Ų15.715%0.1458%0.083CC..Hα-helixtrans-63.5-43171.4-170.7-153.131.600110.6G116 S117 K123 T292G116-Q119 WeakPolarHBondContact O-CB 3.28Å; G116-Q119 PolarHBondContact O-N 3.34Å; G116-Q119 VanDerWaalsContact O-N 3.16Å; S117-Q119 VanDerWaalsContact C-N 3.26Å; S117-Q119 PolarHBondContact O-N 3.4Å; Q119-K123 WeakPolarHBondContact O-CG 3.44Å; Q119-K123 PolarHBondContact O-N 3.07Å; Q119-T292 VanDerWaalsContact NE2-CG2 3.26Å; Q119-T292 PolarHBondContact NE2-OG1 3.45Å
120G98.8Very high98.8Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-60.2-51.417600000111.5S117 Q118 C122 K123 V124S117-G120 WeakPolarHBondContact O-CA 3.45Å; S117-G120 PolarHBondContact O-N 2.87Å; Q118-G120 VanDerWaalsContact C-N 3.32Å; G120-C122 PolarHBondContact O-N 3.25Å; G120-K123 PolarHBondContact O-N 3.39Å; G120-V124 VanDerWaalsContact O-CG2 3.27Å; G120-V124 WeakPolarHBondContact O-CG2 3.48Å; G120-V124 PolarHBondContact O-N 3.03Å
121L98.9Very high98.8Very high4 Ų422.7 Ų22.72%0.02113%0.127CC..Hα-helixtrans-58.2-46.8179.1-70.5164.7000112.7S117 Q118 K123 V124 F125 Y195 I228 D230 A258S117-L121 PolarHBondContact O-N 3.03Å; Q118-L121 PolarHBondContact O-N 3.47Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.26Å; L121-V124 WeakPolarHBondContact O-CB 3.22Å; L121-V124 PolarHBondContact O-N 3.32Å; L121-V124 VanDerWaalsContact O-N 3.08Å; L121-F125 HydrophobicContact CB-CE2 4.13Å; L121-F125 HydrophobicContact CB-CZ 4.23Å; L121-F125 HydrophobicContact CD2-CZ 4.45Å; L121-F125 VanDerWaalsContact O-CD2 3.29Å; L121-F125 WeakPolarHBondContact O-CD2 3.49Å; L121-F125 VanDerWaalsContact O-CG 3.26Å; L121-F125 WeakPolarHBondContact O-CG 3.13Å; L121-F125 PolarHBondContact O-N 2.98Å; L121-Y195 HydrophobicContact CD2-CE2 4.44Å; L121-I228 HydrophobicContact CD2-CG2 3.52Å; L121-D230 HydrophobicContact CD1-CB 3.98Å; L121-D230 WeakPolarHBondContact CD1-OD1 3.48Å; L121-D230 WeakPolarHBondContact CD1-OD2 3.41Å; L121-D230 HydrophobicContact CD2-CB 4.16Å; L121-A258 HydrophobicContact CD1-CB 4.14Å; L121-A258 HydrophobicContact CD2-CB 3.85Å; L121-A258 HydrophobicContact CG-CB 3.86Å
122C98.9Very high98.8Very high39 Ų3924 Ų2426%0.26414%0.141SC..Hα-helixtrans-55.5-48.1176.9-178.70000111.2Q118 G120 V124 F125 E126Q118-C122 VanDerWaalsContact O-CB 3.32Å; Q118-C122 WeakPolarHBondContact O-CB 3.35Å; Q118-C122 PolarHBondContact O-N 3.47Å; G120-C122 PolarHBondContact O-N 3.25Å; C122-V124 VanDerWaalsContact C-N 3.3Å; C122-V124 PolarHBondContact O-N 2.99Å; C122-F125 PolarHBondContact O-N 3.46Å; C122-E126 VanDerWaalsContact O-CG 3.3Å; C122-E126 WeakPolarHBondContact O-CG 3.17Å; C122-E126 PolarHBondContact O-N 2.92Å
123K98.9Very high98.8Very high13 Ų1324.9 Ų24.96%0.05715%0.146CC..Hα-helixtrans-66.4-29.8178.2-68.9-176.8177.1-58.10113.6Q119 G120 L121 E126 M127 V284 H287 I288 S291Q119-K123 WeakPolarHBondContact O-CG 3.44Å; Q119-K123 PolarHBondContact O-N 3.07Å; G120-K123 PolarHBondContact O-N 3.39Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.26Å; K123-E126 WeakPolarHBondContact CA-OE2 3.4Å; K123-M127 VanDerWaalsContact O-CB 3.24Å; K123-M127 WeakPolarHBondContact O-CB 3.32Å; K123-M127 PolarHBondContact O-N 2.88Å; K123-V284 HydrophobicContact CB-CG1 3.89Å; K123-V284 HydrophobicContact CB-CG2 4.39Å; K123-V284 HydrophobicContact CD-CG1 4.09Å; K123-H287 HydrophobicContact CD-CB 4.17Å; K123-H287 PolarHBondContact NZ-CD2 2.97Å; K123-H287 VanDerWaalsContact NZ-CD2 3.33Å; K123-H287 PolarHBondContact NZ-CE1 2.88Å; K123-H287 PolarHBondContact NZ-ND1 3.16Å; K123-H287 PolarHBondContact NZ-NE2 2.91Å; K123-I288 HydrophobicContact CD-CD1 4.4Å; K123-I288 HydrophobicContact CD-CG1 3.63Å; K123-S291 WeakPolarHBondContact CE-OG 3.49Å; K123-S291 PolarHBondContact NZ-OG 3.45Å
124V98.9Very high98.8Very high1 Ų125.7 Ų25.71%0.00615%0.15CC..Hα-helixtrans-68.8-43.8173.11700000110.3G120 L121 C122 M127 I128 I228 I256 L274 V284G120-V124 VanDerWaalsContact O-CG2 3.27Å; G120-V124 WeakPolarHBondContact O-CG2 3.48Å; G120-V124 PolarHBondContact O-N 3.03Å; L121-V124 WeakPolarHBondContact O-CB 3.22Å; L121-V124 PolarHBondContact O-N 3.32Å; L121-V124 VanDerWaalsContact O-N 3.08Å; C122-V124 VanDerWaalsContact C-N 3.3Å; C122-V124 PolarHBondContact O-N 2.99Å; V124-M127 HydrophobicContact CG1-CE 4.27Å; V124-M127 WeakPolarHBondContact O-CB 3.47Å; V124-M127 PolarHBondContact O-N 2.9Å; V124-I128 HydrophobicContact CG1-CD1 3.63Å; V124-I128 WeakPolarHBondContact O-CD1 3.47Å; V124-I128 VanDerWaalsContact O-CG1 3.26Å; V124-I128 WeakPolarHBondContact O-CG1 3.24Å; V124-I128 PolarHBondContact O-N 3.43Å; V124-I228 HydrophobicContact CG1-CD1 3.7Å; V124-I228 HydrophobicContact CG1-CG1 4.28Å; V124-I256 HydrophobicContact CG1-CD1 3.68Å; V124-I256 HydrophobicContact CG1-CG2 4.44Å; V124-I256 HydrophobicContact CG2-CD1 4.39Å; V124-I256 HydrophobicContact CG2-CG2 3.97Å; V124-L274 HydrophobicContact CG2-CD1 3.75Å; V124-V284 HydrophobicContact CG2-CG2 3.83Å
125F98.9Very high98.8Very high2 Ų225.7 Ų25.71%0.00915%0.15CC..Hα-helixtrans-62.5-48.6176.3-57.1-34.7000111.7L121 C122 M127 I128 I129 T145 L149 L152 F193 Y195 I228L121-F125 HydrophobicContact CB-CE2 4.13Å; L121-F125 HydrophobicContact CB-CZ 4.23Å; L121-F125 HydrophobicContact CD2-CZ 4.45Å; L121-F125 VanDerWaalsContact O-CD2 3.29Å; L121-F125 WeakPolarHBondContact O-CD2 3.49Å; L121-F125 VanDerWaalsContact O-CG 3.26Å; L121-F125 WeakPolarHBondContact O-CG 3.13Å; L121-F125 PolarHBondContact O-N 2.98Å; C122-F125 PolarHBondContact O-N 3.46Å; F125-M127 PolarHBondContact O-N 3.5Å; F125-I128 PolarHBondContact O-N 2.7Å; F125-I129 HydrophobicContact CB-CD1 4.07Å; F125-I129 WeakPolarHBondContact O-CB 3.41Å; F125-I129 PolarHBondContact O-N 3.3Å; F125-T145 HydrophobicContact CE2-CG2 4.08Å; F125-T145 HydrophobicContact CZ-CG2 3.96Å; F125-L149 HydrophobicContact CB-CD2 4.23Å; F125-L149 HydrophobicContact CD1-CD2 3.95Å; F125-L149 HydrophobicContact CD2-CD2 3.98Å; F125-L149 HydrophobicContact CE1-CD2 4.27Å; F125-L149 HydrophobicContact CE2-CD2 4.3Å; F125-L149 HydrophobicContact CG-CD2 3.8Å; F125-L149 HydrophobicContact CZ-CD2 4.45Å; F125-L152 HydrophobicContact CB-CD1 3.6Å; F125-F193 HydrophobicContact CD1-CE1 4.43Å; F125-F193 HydrophobicContact CD1-CE2 4.46Å; F125-F193 AromaticContact CD1-CZ 3.9Å; F125-F193 HydrophobicContact CD1-CZ 3.9Å; F125-F193 HydrophobicContact CE1-CE2 4.27Å; F125-F193 HydrophobicContact CE1-CZ 4.16Å; F125-Y195 HydrophobicContact CE1-CD2 4.15Å; F125-Y195 AromaticContact CZ-CD2 3.86Å; F125-Y195 HydrophobicContact CZ-CD2 3.86Å; F125-Y195 HydrophobicContact CZ-CE2 4.09Å; F125-I228 HydrophobicContact CD1-CD1 3.9Å; F125-I228 HydrophobicContact CE1-CD1 3.68Å; F125-I228 HydrophobicContact CE1-CG2 4.38Å
126E98.9Very high98.8Very high73 Ų7324.3 Ų24.334%0.34114%0.14SC..Hα-helixtrans-61.2-29.8176-65.8167.5148.700113.1C122 K123 L152 H287C122-E126 VanDerWaalsContact O-CG 3.3Å; C122-E126 WeakPolarHBondContact O-CG 3.17Å; C122-E126 PolarHBondContact O-N 2.92Å; K123-E126 WeakPolarHBondContact CA-OE2 3.4Å; E126-L152 HydrophobicContact CG-CD2 4.36Å; E126-H287 IonicContact OE2-CE1 3.32Å; E126-H287 PolarHBondContact OE2-CE1 3.21Å; E126-H287 IonicContact OE2-ND1 3.51Å; E126-H287 PolarHBondContact OE2-ND1 3.08Å; E126-H287 VanDerWaalsContact OE2-ND1 3.16Å
127M98.9Very high98.9Very high3 Ų324.3 Ų24.32%0.01514%0.14CC..Hα-helixtrans-69-34.6175.3167.2-171.876.800111.9I7 T8 K123 V124 F125 I256 L280 R283I7-M127 CarbonylContact C-O 3.37Å; I7-M127 WeakPolarHBondContact CA-O 3.49Å; I7-M127 HydrophobicContact CG1-CG 4.44Å; T8-M127 WeakPolarHBondContact CG2-O 3.4Å; T8-M127 PolarHBondContact N-O 3.03Å; T8-M127 PolarHBondContact OG1-O 3.1Å; K123-M127 VanDerWaalsContact O-CB 3.24Å; K123-M127 WeakPolarHBondContact O-CB 3.32Å; K123-M127 PolarHBondContact O-N 2.88Å; V124-M127 HydrophobicContact CG1-CE 4.27Å; V124-M127 WeakPolarHBondContact O-CB 3.47Å; V124-M127 PolarHBondContact O-N 2.9Å; F125-M127 PolarHBondContact O-N 3.5Å; M127-I256 HydrophobicContact CE-CD1 4.01Å; M127-L280 HydrophobicContact CE-CB 4.05Å; M127-L280 HydrophobicContact CE-CD2 4.09Å; M127-L280 HydrophobicContact CE-CG 4.49Å; M127-L280 HydrophobicContact SD-CB 4.2Å; M127-L280 HydrophobicContact SD-CD2 4.25Å; M127-R283 HydrophobicContact CG-CB 4.06Å; M127-R283 HydrophobicContact CG-CG 4.48Å; M127-R283 HydrophobicContact SD-CB 3.63Å; M127-R283 HydrophobicContact SD-CG 4.12Å
128I98.9Very high98.9Very high1 Ų124 Ų241%0.00514%0.137CC..Hα-helixtrans-99.9-43.4-166.4-61.8162.8000112.4F6 V124 F125 K192 F193 L226 I228F6-I128 WeakPolarHBondContact O-CA 3.25Å; F6-I128 VanDerWaalsContact O-CG1 3.32Å; F6-I128 WeakPolarHBondContact O-CG1 3.5Å; V124-I128 HydrophobicContact CG1-CD1 3.63Å; V124-I128 WeakPolarHBondContact O-CD1 3.47Å; V124-I128 VanDerWaalsContact O-CG1 3.26Å; V124-I128 WeakPolarHBondContact O-CG1 3.24Å; V124-I128 PolarHBondContact O-N 3.43Å; F125-I128 PolarHBondContact O-N 2.7Å; I128-K192 HydrophobicContact CG2-CB 3.72Å; I128-K192 HydrophobicContact CG2-CG 4.19Å; I128-F193 HydrophobicContact CB-CD1 4.48Å; I128-F193 HydrophobicContact CD1-CD1 4.1Å; I128-F193 HydrophobicContact CG2-CD1 3.9Å; I128-F193 HydrophobicContact CG2-CE1 4.25Å; I128-L226 HydrophobicContact CD1-CD1 3.99Å; I128-I228 HydrophobicContact CD1-CD1 4.11Å
129I98.9Very high98.9Very high11 Ų1121.8 Ų21.86%0.05613%0.127CC..PPolyproline II helixtrans-85.2125.3-163.2-63.7169000111.2T8 F125 V135 L149 L152 C154 F193T8-I129 WeakPolarHBondContact CG2-O 3.4Å; F125-I129 HydrophobicContact CB-CD1 4.07Å; F125-I129 WeakPolarHBondContact O-CB 3.41Å; F125-I129 PolarHBondContact O-N 3.3Å; I129-V135 HydrophobicContact CD1-CG1 4.35Å; I129-V135 HydrophobicContact CG1-CG1 4.34Å; I129-L149 HydrophobicContact CD1-CD2 3.55Å; I129-L152 HydrophobicContact CB-CB 4.28Å; I129-L152 HydrophobicContact CB-CD1 4.36Å; I129-L152 HydrophobicContact CD1-CB 4.35Å; I129-L152 HydrophobicContact CD1-CD1 3.72Å; I129-L152 HydrophobicContact CG2-CB 3.76Å; I129-C154 HydrophobicContact CD1-CB 4.36Å; I129-C154 HydrophobicContact CG2-CB 3.76Å; I129-F193 HydrophobicContact CD1-CE1 3.84Å; I129-F193 HydrophobicContact CD1-CZ 3.92Å; I129-F193 HydrophobicContact CG1-CE1 3.79Å; I129-F193 HydrophobicContact CG1-CZ 4.38Å
130N98.9Very high98.9Very high66 Ų6620.8 Ų20.835%0.35312%0.123SC..PPolyproline II helixtrans-97.9153.1155.7-52.5-81.6000109.4G132 D133N130-G132 PolarHBondContact O-N 2.68Å; N130-D133 WeakPolarHBondContact CB-OD2 3.41Å; N130-D133 PolarHBondContact N-OD2 2.84Å; N130-D133 PolarHBondContact ND2-OD2 3.03Å; N130-D133 VanDerWaalsContact ND2-OD2 3.14Å; N130-D133 VanDerWaalsContact O-CB 3.29Å; N130-D133 WeakPolarHBondContact O-CB 3.2Å; N130-D133 PolarHBondContact O-N 2.86Å
131P98.9Very high98.9Very high112 Ų11221 Ų2173%0.72713%0.125SC*.THydrogen-bonded Turntrans-54.2131.3172-26.235.4000111.6
132G98.8Very high98.9Very high30 Ų3024.2 Ų24.231%0.30914%0.137SC..THydrogen-bonded Turntrans89.5-9.2-176.200000115.3N130 G153 N155 N189N130-G132 PolarHBondContact O-N 2.68Å; G132-G153 PolarHBondContact N-O 3.06Å; G132-N155 PolarHBondContact O-ND2 3.03Å; G132-N189 PolarHBondContact O-ND2 3.33Å
133D98.9Very high98.8Very high17 Ų1724.2 Ų24.29%0.09114%0.138CC..  trans-62.6142.1175.4-80.5-28.4000111.1N130 C154 N155 K192N130-D133 WeakPolarHBondContact CB-OD2 3.41Å; N130-D133 PolarHBondContact N-OD2 2.84Å; N130-D133 PolarHBondContact ND2-OD2 3.03Å; N130-D133 VanDerWaalsContact ND2-OD2 3.14Å; N130-D133 VanDerWaalsContact O-CB 3.29Å; N130-D133 WeakPolarHBondContact O-CB 3.2Å; N130-D133 PolarHBondContact O-N 2.86Å; D133-C154 CarbonylContact O-C 3.27Å; D133-C154 VanDerWaalsContact O-CA 3.28Å; D133-C154 WeakPolarHBondContact O-CA 3.4Å; D133-C154 VanDerWaalsContact O-CB 3.3Å; D133-C154 WeakPolarHBondContact O-CB 3.38Å; D133-N155 PolarHBondContact O-N 3.01Å; D133-K192 HydrophobicContact CB-CG 3.95Å; D133-K192 WeakPolarHBondContact OD1-CE 3.38Å; D133-K192 VanDerWaalsContact OD2-CE 3.27Å; D133-K192 WeakPolarHBondContact OD2-CE 3.34Å
134N98.9Very high98.8Very high17 Ų1724.2 Ų24.29%0.09114%0.141CC..EExtended strand (participates in β ladder)trans-85135174.4-69.2-37.4000111.5N155 I157 N189 P191 K192N134-N155 VanDerWaalsContact OD1-CB 3.28Å; N134-N155 WeakPolarHBondContact OD1-CB 3.38Å; N134-N155 PolarHBondContact OD1-ND2 2.94Å; N134-I157 HydrophobicContact CB-CD1 3.94Å; N134-N189 PolarHBondContact N-OD1 2.88Å; N134-N189 PolarHBondContact ND2-ND2 3.4Å; N134-N189 PolarHBondContact ND2-O 2.86Å; N134-P191 HydrophobicContact CB-CG 4.44Å; N134-P191 CarbonylContact O-C 3.28Å; N134-P191 VanDerWaalsContact O-CA 3.29Å; N134-P191 WeakPolarHBondContact O-CA 3.45Å; N134-K192 PolarHBondContact O-N 2.82Å
135V98.9Very high98.8Very high0 Ų024.4 Ų24.40%014%0.143CC..EExtended strand (participates in β ladder)trans-132.1152.3174.3-56.80000110.4I129 C154 N155 I156 I157 F193I129-V135 HydrophobicContact CD1-CG1 4.35Å; I129-V135 HydrophobicContact CG1-CG1 4.34Å; V135-C154 HydrophobicContact CG1-CB 4.12Å; V135-C154 HydrophobicContact CG2-CB 4.14Å; V135-N155 PolarHBondContact N-O 3.04Å; V135-I156 HydrophobicContact CG2-CB 4.34Å; V135-I156 HydrophobicContact CG2-CG1 3.96Å; V135-I157 PolarHBondContact O-N 3.12Å; V135-F193 HydrophobicContact CB-CD2 4.4Å; V135-F193 HydrophobicContact CB-CE1 4.25Å; V135-F193 HydrophobicContact CB-CE2 3.9Å; V135-F193 HydrophobicContact CB-CZ 3.83Å; V135-F193 HydrophobicContact CG1-CD1 4.03Å; V135-F193 HydrophobicContact CG1-CE1 3.47Å; V135-F193 VanDerWaalsContact CG1-CE1 3.47Å; V135-F193 HydrophobicContact CG1-CE2 4.04Å; V135-F193 HydrophobicContact CG1-CZ 3.47Å; V135-F193 VanDerWaalsContact CG1-CZ 3.47Å; V135-F193 HydrophobicContact CG2-CZ 4.46Å
136L98.9Very high98.7Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-114.2141.3-177.7-58.4159.1000109.8I157 V159 L171 I174 L175 P191 F193 L194 Y195 F225L136-I157 WeakPolarHBondContact CA-O 3.35Å; L136-I157 HydrophobicContact CD2-CB 4.02Å; L136-I157 HydrophobicContact CD2-CG2 4.09Å; L136-V159 HydrophobicContact CB-CG2 4.06Å; L136-V159 HydrophobicContact CD2-CG2 4.04Å; L136-L171 HydrophobicContact CD1-CD1 3.87Å; L136-I174 HydrophobicContact CD2-CG2 3.86Å; L136-L175 HydrophobicContact CD1-CD2 4.17Å; L136-P191 HydrophobicContact CD1-CB 3.7Å; L136-P191 HydrophobicContact CD1-CG 3.94Å; L136-P191 HydrophobicContact CD2-CG 4.33Å; L136-P191 HydrophobicContact CG-CB 3.92Å; L136-P191 HydrophobicContact CG-CG 4.12Å; L136-F193 PolarHBondContact N-O 2.87Å; L136-L194 HydrophobicContact CB-CB 4.29Å; L136-L194 HydrophobicContact CB-CD1 3.65Å; L136-L194 CarbonylContact O-C 3.47Å; L136-L194 WeakPolarHBondContact O-CA 3.45Å; L136-Y195 PolarHBondContact O-N 3.28Å; L136-F225 HydrophobicContact CD1-CE1 4.47Å; L136-F225 HydrophobicContact CD1-CZ 4.47Å
137L98.9Very high98.7Very high1 Ų127.5 Ų27.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-159.3164.1168.659.780.9000111.1E139 A141 L146 L149 I156 I157 N158 V159 Y195L137-E139 HydrophobicContact CD1-CG 3.85Å; L137-A141 HydrophobicContact CD1-CB 4.26Å; L137-L146 HydrophobicContact CD2-CD2 4.22Å; L137-L149 HydrophobicContact CD2-CD1 3.82Å; L137-I156 HydrophobicContact CD1-CG2 3.95Å; L137-I156 HydrophobicContact CD2-CG2 3.49Å; L137-I156 VanDerWaalsContact CD2-CG2 3.49Å; L137-I156 HydrophobicContact CG-CG2 3.53Å; L137-I157 PolarHBondContact N-O 3.11Å; L137-N158 CarbonylContact O-C 3.39Å; L137-N158 WeakPolarHBondContact O-CA 3.38Å; L137-N158 PolarHBondContact O-OD1 3.08Å; L137-V159 PolarHBondContact O-N 3.19Å; L137-Y195 WeakPolarHBondContact CA-O 3.44Å; L137-Y195 HydrophobicContact CB-CD1 4.13Å; L137-Y195 WeakPolarHBondContact CB-O 3.4Å
138D98.8Very high98.7Very high7 Ų728.5 Ų28.54%0.03717%0.165CC..PPolyproline II helixtrans-91.2127.2168.649.8-60.2000112.6V159 I166 T196 N201D138-V159 WeakPolarHBondContact CA-O 3.29Å; D138-I166 HydrophobicContact CB-CD1 4.42Å; D138-I166 HydrophobicContact CB-CG1 3.67Å; D138-T196 WeakPolarHBondContact OD1-CB 3.43Å; D138-T196 PolarHBondContact OD1-OG1 2.77Å; D138-N201 PolarHBondContact OD2-ND2 3.31Å
139E98.6Very high98.7Very high30 Ų3028.5 Ų28.514%0.1416%0.164CC..SBendtrans-92148.5164.7-64.4-178.2116.700111.5L137 N158 S161 Y388 I389L137-E139 HydrophobicContact CD1-CG 3.85Å; E139-N158 HydrophobicContact CG-CB 4.32Å; E139-N158 PolarHBondContact N-OD1 2.92Å; E139-N158 WeakPolarHBondContact OE2-CB 3.49Å; E139-N158 VanDerWaalsContact OE2-CG 3.23Å; E139-N158 PolarHBondContact OE2-ND2 2.87Å; E139-S161 PolarHBondContact O-OG 3.49Å; E139-Y388 HydrophobicContact CB-CD1 3.9Å; E139-Y388 HydrophobicContact CB-CE1 4.17Å; E139-Y388 HydrophobicContact CG-CD1 4.49Å; E139-Y388 WeakPolarHBondContact OE1-CA 3.36Å; E139-I389 HydrophobicContact CG-CD1 4.23Å; E139-I389 WeakPolarHBondContact OE1-CB 3.23Å; E139-I389 VanDerWaalsContact OE1-CD1 3.28Å; E139-I389 WeakPolarHBondContact OE1-CD1 3.3Å; E139-I389 WeakPolarHBondContact OE1-CG1 3.49Å; E139-I389 PolarHBondContact OE1-N 3.13Å
140P98.8Very high98.7Very high10 Ų1034.8 Ų34.87%0.06519%0.193CC..SBendcis-71.6144.6-4.128.5-33000112.6N201 P203 T204 W357 F387 Y388P140-N201 PolarHBondContact O-ND2 2.64Å; P140-N201 PolarHBondContact O-OD1 2.86Å; P140-P203 HydrophobicContact CB-CG 3.79Å; P140-P203 HydrophobicContact CG-CG 3.8Å; P140-T204 HydrophobicContact CG-CG2 3.5Å; P140-T204 VanDerWaalsContact CG-CG2 3.5Å; P140-W357 HydrophobicContact CB-CZ2 4.4Å; P140-W357 HydrophobicContact CG-CZ2 4.03Å; P140-F387 CarbonylContact C-O 3.56Å; P140-F387 VanDerWaalsContact CA-O 3.25Å; P140-F387 WeakPolarHBondContact CA-O 3.46Å; P140-F387 HydrophobicContact CB-CB 3.62Å; P140-Y388 HydrophobicContact CB-CD1 4.49Å; P140-Y388 HydrophobicContact CB-CE1 3.98Å; P140-Y388 HydrophobicContact CB-CE2 4.04Å
141A98.6Very high98.7Very high3 Ų336.3 Ų36.33%0.02521%0.207CC..  trans-123.1161.4-176.300000111.8L137 S143 L146 N202 F387L137-A141 HydrophobicContact CD1-CB 4.26Å; A141-S143 PolarHBondContact O-N 3.44Å; A141-S143 VanDerWaalsContact O-N 3.12Å; A141-L146 HydrophobicContact CB-CD2 4.07Å; A141-L146 HydrophobicContact CB-CG 4.27Å; A141-N202 CarbonylContact C-O 3.56Å; A141-F387 PolarHBondContact N-O 3.34Å; A141-F387 WeakPolarHBondContact O-CA 3.47Å; A141-F387 WeakPolarHBondContact O-CB 3.15Å; A141-F387 WeakPolarHBondContact O-CD1 3.35Å
142Y98.6Very high98.7Very high73 Ų7332.9 Ų32.929%0.28618%0.182SC..  trans-56.8122.3176.8171.9-130.4000110.9G144 T145 L146 N202Y142-G144 VanDerWaalsContact CE1-CA 3.5Å; Y142-G144 PolarHBondContact O-N 3.12Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; Y142-T145 WeakPolarHBondContact O-CA 3.43Å; Y142-T145 WeakPolarHBondContact O-CB 3.39Å; Y142-T145 PolarHBondContact O-N 3.33Å; Y142-L146 PolarHBondContact O-N 3.34Å; Y142-N202 WeakPolarHBondContact CA-O 3.35Å; Y142-N202 PolarHBondContact N-O 2.96Å; Y142-N202 VanDerWaalsContact N-O 3.12Å
143S97.8Very high98.7Very high39 Ų3933.2 Ų33.227%0.27319%0.186SC..Hα-helixtrans-54.3-35.9-177.162.30000113.3A141 T145 L146 Q147 A386A141-S143 PolarHBondContact O-N 3.44Å; A141-S143 VanDerWaalsContact O-N 3.12Å; S143-T145 VanDerWaalsContact C-N 3.28Å; S143-T145 PolarHBondContact O-N 2.84Å; S143-L146 PolarHBondContact O-N 2.79Å; S143-Q147 WeakPolarHBondContact O-CB 3.44Å; S143-Q147 VanDerWaalsContact O-CG 3.27Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 3.48Å; S143-A386 WeakPolarHBondContact CB-O 3.45Å
144G98.2Very high98.7Very high13 Ų1333.3 Ų33.313%0.13419%0.187CC..Hα-helixtrans-65.2-29.6176.400000113.6Y142 S148Y142-G144 VanDerWaalsContact CE1-CA 3.5Å; Y142-G144 PolarHBondContact O-N 3.12Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; G144-S148 WeakPolarHBondContact O-CB 3.41Å; G144-S148 PolarHBondContact O-N 3.35Å; G144-S148 VanDerWaalsContact O-N 3.12Å
145T98.8Very high98.7Very high5 Ų536.3 Ų36.33%0.03120%0.203CC..Hα-helixtrans-72-46.5172.6-61.70000110.5F125 Y142 S143 Q147 S148 L149 Y195F125-T145 HydrophobicContact CE2-CG2 4.08Å; F125-T145 HydrophobicContact CZ-CG2 3.96Å; Y142-T145 WeakPolarHBondContact O-CA 3.43Å; Y142-T145 WeakPolarHBondContact O-CB 3.39Å; Y142-T145 PolarHBondContact O-N 3.33Å; S143-T145 VanDerWaalsContact C-N 3.28Å; S143-T145 PolarHBondContact O-N 2.84Å; T145-Q147 VanDerWaalsContact C-N 3.31Å; T145-Q147 PolarHBondContact O-N 2.95Å; T145-S148 WeakPolarHBondContact O-CB 3.46Å; T145-S148 PolarHBondContact O-N 2.93Å; T145-L149 HydrophobicContact CG2-CD1 3.89Å; T145-L149 HydrophobicContact CG2-CG 4.28Å; T145-L149 WeakPolarHBondContact O-CG 3.43Å; T145-L149 PolarHBondContact O-N 2.65Å; T145-Y195 HydrophobicContact CG2-CD1 3.99Å; T145-Y195 HydrophobicContact CG2-CD2 4.32Å; T145-Y195 HydrophobicContact CG2-CE1 3.64Å; T145-Y195 HydrophobicContact CG2-CE2 3.97Å; T145-Y195 HydrophobicContact CG2-CG 4.33Å; T145-Y195 PolarHBondContact OG1-OH 3.27Å
146L98.7Very high98.7Very high10 Ų1038.1 Ų38.15%0.05221%0.213CC..Hα-helixtrans-57.3-45.9177.5-61-179.5000111.4L137 A141 Y142 S143 S148 L149 H150 I389L137-L146 HydrophobicContact CD2-CD2 4.22Å; A141-L146 HydrophobicContact CB-CD2 4.07Å; A141-L146 HydrophobicContact CB-CG 4.27Å; Y142-L146 PolarHBondContact O-N 3.34Å; S143-L146 PolarHBondContact O-N 2.79Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 3.35Å; L146-L149 PolarHBondContact O-N 3.21Å; L146-H150 WeakPolarHBondContact O-CB 3.27Å; L146-H150 PolarHBondContact O-N 2.94Å; L146-I389 HydrophobicContact CD2-CG1 4.04Å
147Q98.8Very high98.7Very high130 Ų13039.4 Ų39.461%0.60722%0.219SC*.Hα-helixtrans-67.4-26.8176.8-66.1-59.5-35.700113.2S143 T145 P151S143-Q147 WeakPolarHBondContact O-CB 3.44Å; S143-Q147 VanDerWaalsContact O-CG 3.27Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 3.48Å; T145-Q147 VanDerWaalsContact C-N 3.31Å; T145-Q147 PolarHBondContact O-N 2.95Å; Q147-P151 WeakPolarHBondContact O-CD 3.4Å
148S98.8Very high98.7Very high24 Ų2442.4 Ų42.417%0.16824%0.235CC..Hα-helixtrans-76.5-33.4174.1-169.10000112.6G144 T145 L146G144-S148 WeakPolarHBondContact O-CB 3.41Å; G144-S148 PolarHBondContact O-N 3.35Å; G144-S148 VanDerWaalsContact O-N 3.12Å; T145-S148 WeakPolarHBondContact O-CB 3.46Å; T145-S148 PolarHBondContact O-N 2.93Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 3.35Å
149L98.9Very high98.7Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-81.3-36-179.1-69.7174.8000112.6F125 I129 L137 T145 L146 L152 I156 F193F125-L149 HydrophobicContact CB-CD2 4.23Å; F125-L149 HydrophobicContact CD1-CD2 3.95Å; F125-L149 HydrophobicContact CD2-CD2 3.98Å; F125-L149 HydrophobicContact CE1-CD2 4.27Å; F125-L149 HydrophobicContact CE2-CD2 4.3Å; F125-L149 HydrophobicContact CG-CD2 3.8Å; F125-L149 HydrophobicContact CZ-CD2 4.45Å; I129-L149 HydrophobicContact CD1-CD2 3.55Å; L137-L149 HydrophobicContact CD2-CD1 3.82Å; T145-L149 HydrophobicContact CG2-CD1 3.89Å; T145-L149 HydrophobicContact CG2-CG 4.28Å; T145-L149 WeakPolarHBondContact O-CG 3.43Å; T145-L149 PolarHBondContact O-N 2.65Å; L146-L149 PolarHBondContact O-N 3.21Å; L149-L152 WeakPolarHBondContact O-CB 3.4Å; L149-L152 PolarHBondContact O-N 3.25Å; L149-I156 HydrophobicContact CB-CD1 3.94Å; L149-I156 HydrophobicContact CD1-CD1 4.19Å; L149-F193 HydrophobicContact CD2-CZ 4.08Å
150H98.6Very high98.7Very high144 Ų14442.9 Ų42.967%0.66725%0.246SC*.G310 helixtrans-49.8-53.6-177.4-179.574000114.2L146 L152 G153L146-H150 WeakPolarHBondContact O-CB 3.27Å; L146-H150 PolarHBondContact O-N 2.94Å; H150-L152 PolarHBondContact O-N 3.38Å; H150-G153 PolarHBondContact O-N 3.23Å
151P98.8Very high98.7Very high98 Ų9844.3 Ų44.364%0.63626%0.256SS*.G310 helixtrans-72.1-11.2-177.930.6-37.4000113.9Q147Q147-P151 WeakPolarHBondContact O-CD 3.4Å
152L98.8Very high98.7Very high40 Ų4046.3 Ų46.321%0.20927%0.266CS..G310 helixtrans-80.3-9.1176.6-58.9177.2000112.4F125 E126 I129 L149 H150 C154F125-L152 HydrophobicContact CB-CD1 3.6Å; E126-L152 HydrophobicContact CG-CD2 4.36Å; I129-L152 HydrophobicContact CB-CB 4.28Å; I129-L152 HydrophobicContact CB-CD1 4.36Å; I129-L152 HydrophobicContact CD1-CB 4.35Å; I129-L152 HydrophobicContact CD1-CD1 3.72Å; I129-L152 HydrophobicContact CG2-CB 3.76Å; L149-L152 WeakPolarHBondContact O-CB 3.4Å; L149-L152 PolarHBondContact O-N 3.25Å; H150-L152 PolarHBondContact O-N 3.38Å; L152-C154 VanDerWaalsContact C-N 3.31Å; L152-C154 PolarHBondContact O-N 3.27Å
153G98.7Very high98.7Very high37 Ų3746.9 Ų46.938%0.38127%0.271SS..THydrogen-bonded Turntrans69.324.7173.500000114.3G132 H150G132-G153 PolarHBondContact N-O 3.06Å; H150-G153 PolarHBondContact O-N 3.23Å
154C98.8Very high98.7Very high18 Ų1849 Ų4912%0.12228%0.276CS..  trans-76.5154.2172.5610000111.8I129 D133 V135 L152 I156I129-C154 HydrophobicContact CD1-CB 4.36Å; I129-C154 HydrophobicContact CG2-CB 3.76Å; D133-C154 CarbonylContact O-C 3.27Å; D133-C154 VanDerWaalsContact O-CA 3.28Å; D133-C154 WeakPolarHBondContact O-CA 3.4Å; D133-C154 VanDerWaalsContact O-CB 3.3Å; D133-C154 WeakPolarHBondContact O-CB 3.38Å; V135-C154 HydrophobicContact CG1-CB 4.12Å; V135-C154 HydrophobicContact CG2-CB 4.14Å; L152-C154 VanDerWaalsContact C-N 3.31Å; L152-C154 PolarHBondContact O-N 3.27Å; C154-I156 PolarHBondContact O-N 3.37Å
155N98.9Very high98.8Very high81 Ų8148.7 Ų48.743%0.43327%0.274SS..EExtended strand (participates in β ladder)trans-86.1108.3166.7-53.6-51.8000108.1G132 D133 N134 V135 I157G132-N155 PolarHBondContact O-ND2 3.03Å; D133-N155 PolarHBondContact O-N 3.01Å; N134-N155 VanDerWaalsContact OD1-CB 3.28Å; N134-N155 WeakPolarHBondContact OD1-CB 3.38Å; N134-N155 PolarHBondContact OD1-ND2 2.94Å; V135-N155 PolarHBondContact N-O 3.04Å; N155-I157 PolarHBondContact O-N 2.86Å
156I98.9Very high98.8Very high38 Ų3848.5 Ų48.520%0.19527%0.273CS..EExtended strand (participates in β ladder)trans-80114.9174.8-55.1172.9000108.1V135 L137 L149 C154 I389V135-I156 HydrophobicContact CG2-CB 4.34Å; V135-I156 HydrophobicContact CG2-CG1 3.96Å; L137-I156 HydrophobicContact CD1-CG2 3.95Å; L137-I156 HydrophobicContact CD2-CG2 3.49Å; L137-I156 VanDerWaalsContact CD2-CG2 3.49Å; L137-I156 HydrophobicContact CG-CG2 3.53Å; L149-I156 HydrophobicContact CB-CD1 3.94Å; L149-I156 HydrophobicContact CD1-CD1 4.19Å; C154-I156 PolarHBondContact O-N 3.37Å; I156-I389 HydrophobicContact CB-CD1 3.74Å; I156-I389 HydrophobicContact CB-CG1 4.33Å; I156-I389 HydrophobicContact CD1-CG1 4.18Å; I156-I389 HydrophobicContact CG2-CD1 3.38Å; I156-I389 HydrophobicContact CG2-CG1 4.08Å
157I98.9Very high98.8Very high26 Ų2649.5 Ų49.513%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-102108.2177.8-56.8174.4000107.6N134 V135 L136 L137 N155 I174 W178N134-I157 HydrophobicContact CB-CD1 3.94Å; V135-I157 PolarHBondContact O-N 3.12Å; L136-I157 WeakPolarHBondContact CA-O 3.35Å; L136-I157 HydrophobicContact CD2-CB 4.02Å; L136-I157 HydrophobicContact CD2-CG2 4.09Å; L137-I157 PolarHBondContact N-O 3.11Å; N155-I157 PolarHBondContact O-N 2.86Å; I157-I174 HydrophobicContact CG2-CD1 4.42Å; I157-I174 HydrophobicContact CG2-CG2 3.77Å; I157-W178 HydrophobicContact CD1-CH2 4.05Å
158N98.9Very high98.8Very high64 Ų6443.6 Ų43.634%0.34225%0.252SS..EExtended strand (participates in β ladder)trans-65.2134.5177.5-17417.9000110.8L137 E139 I174L137-N158 CarbonylContact O-C 3.39Å; L137-N158 WeakPolarHBondContact O-CA 3.38Å; L137-N158 PolarHBondContact O-OD1 3.08Å; E139-N158 HydrophobicContact CG-CB 4.32Å; E139-N158 PolarHBondContact N-OD1 2.92Å; E139-N158 WeakPolarHBondContact OE2-CB 3.49Å; E139-N158 VanDerWaalsContact OE2-CG 3.23Å; E139-N158 PolarHBondContact OE2-ND2 2.87Å; N158-I174 VanDerWaalsContact O-CD1 3.24Å; N158-I174 WeakPolarHBondContact O-CD1 3.47Å
159V98.9Very high98.8Very high0 Ų046.7 Ų46.70%027%0.267CS..  trans-108.4129.9172-175.70000107.4L136 L137 D138 I166 L171 I174L136-V159 HydrophobicContact CB-CG2 4.06Å; L136-V159 HydrophobicContact CD2-CG2 4.04Å; L137-V159 PolarHBondContact O-N 3.19Å; D138-V159 WeakPolarHBondContact CA-O 3.29Å; V159-I166 HydrophobicContact CG1-CG2 3.73Å; V159-L171 HydrophobicContact CG1-CB 3.85Å; V159-L171 HydrophobicContact CG1-CD1 4.43Å; V159-L171 HydrophobicContact CG2-CD1 4.06Å; V159-I174 HydrophobicContact CB-CD1 4.26Å; V159-I174 HydrophobicContact CG1-CD1 4.39Å; V159-I174 HydrophobicContact CG2-CD1 3.94Å
160A98.8Very high98.8Very high48 Ų4848 Ų4840%0.39728%0.276SS..  trans-59.4144.1-177.500000111.5V167 S170A160-V167 PolarHBondContact O-N 3.1Å; A160-S170 WeakPolarHBondContact CB-OG 3.43Å; A160-S170 PolarHBondContact N-OG 2.93Å; A160-S170 VanDerWaalsContact N-OG 3.09Å
161S98.8Very high98.8Very high40 Ų4041.1 Ų41.128%0.2824%0.244SC..EExtended strand (participates in β ladder)trans-132.2156.2177.566.90000111E139 G165E139-S161 PolarHBondContact O-OG 3.49Å; S161-G165 CarbonylContact C-O 3.03Å; S161-G165 VanDerWaalsContact CA-O 3.24Å; S161-G165 WeakPolarHBondContact CA-O 3.49Å
162D98.7Very high98.8Very high45 Ų4540.8 Ų40.824%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-137.7-162.417565.716.6000110.4H164 G165 V167 N206 R212D162-H164 PolarHBondContact O-N 3.29Å; D162-H164 WeakPolarHBondContact OD1-CA 3.4Å; D162-H164 WeakPolarHBondContact OD1-CB 3.42Å; D162-H164 PolarHBondContact OD1-N 3.02Å; D162-G165 PolarHBondContact N-O 3.01Å; D162-G165 PolarHBondContact O-N 3.31Å; D162-V167 HydrophobicContact CB-CG2 4.31Å; D162-V167 WeakPolarHBondContact OD2-CG2 3.24Å; D162-N206 PolarHBondContact O-ND2 3.07Å; D162-R212 IonicContact OD1-CZ 2.63Å; D162-R212 IonicContact OD1-NH1 2.7Å; D162-R212 PolarHBondContact OD1-NH1 2.98Å; D162-R212 IonicContact OD1-NH2 3.47Å; D162-R212 PolarHBondContact OD1-NH2 3.38Å; D162-R212 IonicContact OD2-CZ 3.45Å; D162-R212 IonicContact OD2-NH1 3.96Å; D162-R212 PolarHBondContact OD2-NH1 2.92Å; D162-R212 IonicContact OD2-NH2 2.86Å; D162-R212 PolarHBondContact OD2-NH2 3.37Å
163E98.3Very high98.8Very high85 Ų8544.2 Ų44.240%0.39725%0.248SC..THydrogen-bonded Turntrans-57.9-16.5177.867.7-90.3-147.900114.1N206E163-N206 WeakPolarHBondContact CA-ND2 3.34Å
164H98.5Very high98.8Very high82 Ų8243.2 Ų43.238%0.3823%0.234SC..THydrogen-bonded Turntrans-11022.2178.7-60.9-45.7000112.7D162 S207 L208 T209 R212D162-H164 PolarHBondContact O-N 3.29Å; D162-H164 WeakPolarHBondContact OD1-CA 3.4Å; D162-H164 WeakPolarHBondContact OD1-CB 3.42Å; D162-H164 PolarHBondContact OD1-N 3.02Å; H164-S207 CarbonylContact C-O 3.59Å; H164-S207 WeakPolarHBondContact CA-O 3.38Å; H164-L208 WeakPolarHBondContact O-CA 3.4Å; H164-L208 WeakPolarHBondContact O-CD2 3.45Å; H164-T209 HydrophobicContact CB-CG2 4.11Å; H164-R212 PolarHBondContact O-NH1 3.12Å
165G98.8Very high98.8Very high8 Ų842.4 Ų42.48%0.08223%0.229CC..EExtended strand (participates in β ladder)trans76.5-151.3179.300000112.6S161 D162 V167 R212S161-G165 CarbonylContact C-O 3.03Å; S161-G165 VanDerWaalsContact CA-O 3.24Å; S161-G165 WeakPolarHBondContact CA-O 3.49Å; D162-G165 PolarHBondContact N-O 3.01Å; D162-G165 PolarHBondContact O-N 3.31Å; G165-V167 PolarHBondContact O-N 3.33Å; G165-R212 PolarHBondContact O-NH1 3.37Å; G165-R212 VanDerWaalsContact O-NH1 3.1Å
166I98.9Very high98.8Very high0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-49.2133.5178.5-72163.9000111.5D138 V159 P168 L194 T196 L208 R212 I216D138-I166 HydrophobicContact CB-CD1 4.42Å; D138-I166 HydrophobicContact CB-CG1 3.67Å; V159-I166 HydrophobicContact CG1-CG2 3.73Å; I166-P168 WeakPolarHBondContact O-CD 3.47Å; I166-L194 HydrophobicContact CD1-CD1 3.83Å; I166-L194 HydrophobicContact CD1-CD2 4.02Å; I166-L194 HydrophobicContact CD1-CG 4.28Å; I166-T196 HydrophobicContact CD1-CG2 4.33Å; I166-L208 HydrophobicContact CB-CD2 4.17Å; I166-R212 WeakPolarHBondContact O-CD 3.24Å; I166-R212 PolarHBondContact O-NH1 2.75Å; I166-I216 HydrophobicContact CB-CD1 3.9Å; I166-I216 HydrophobicContact CG2-CD1 3.71Å; I166-I216 HydrophobicContact CG2-CG1 4.21Å
167V98.9Very high98.8Very high32 Ų3248.6 Ų48.619%0.19426%0.256CS..  trans-87.1111.5171.5-179.70000109.2A160 D162 G165 D169 S170 L171A160-V167 PolarHBondContact O-N 3.1Å; D162-V167 HydrophobicContact CB-CG2 4.31Å; D162-V167 WeakPolarHBondContact OD2-CG2 3.24Å; G165-V167 PolarHBondContact O-N 3.33Å; V167-D169 VanDerWaalsContact C-N 3.25Å; V167-D169 HydrophobicContact CG1-CB 4.29Å; V167-D169 PolarHBondContact O-N 3.16Å; V167-S170 WeakPolarHBondContact O-CB 3.37Å; V167-S170 PolarHBondContact O-N 2.94Å; V167-S170 VanDerWaalsContact O-N 3.09Å; V167-L171 PolarHBondContact O-N 2.97Å
168P98.9Very high98.8Very high6 Ų649 Ų494%0.03926%0.256CS..Hα-helixtrans-60.7-30.8-175.2-25.335.2000114.3I166 L171 R172 R212 E215 I216I166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-L171 WeakPolarHBondContact O-CB 3.42Å; P168-L171 PolarHBondContact O-N 2.82Å; P168-R172 WeakPolarHBondContact O-CB 3.24Å; P168-R172 PolarHBondContact O-N 3.04Å; P168-R212 HydrophobicContact CG-CB 3.88Å; P168-R212 HydrophobicContact CG-CG 3.73Å; P168-E215 HydrophobicContact CB-CB 3.89Å; P168-E215 WeakPolarHBondContact CB-OE2 3.43Å; P168-E215 HydrophobicContact CG-CB 4.11Å; P168-I216 HydrophobicContact CG-CG1 4.35Å
169D98.9Very high98.8Very high89 Ų8952 Ų5248%0.47627%0.266SS..Hα-helixtrans-63.5-42.9176-68.2-7.8000111.5V167 L171 R172 D173V167-D169 VanDerWaalsContact C-N 3.25Å; V167-D169 HydrophobicContact CG1-CB 4.29Å; V167-D169 PolarHBondContact O-N 3.16Å; D169-L171 VanDerWaalsContact C-N 3.34Å; D169-L171 PolarHBondContact O-N 2.94Å; D169-R172 WeakPolarHBondContact O-CB 3.06Å; D169-R172 PolarHBondContact O-N 3.06Å; D169-R172 VanDerWaalsContact O-N 3.17Å; D169-R172 IonicContact OD1-CZ 3.86Å; D169-R172 IonicContact OD1-NH1 3.52Å; D169-R172 PolarHBondContact OD1-NH1 3.02Å; D169-R172 IonicContact OD1-NH2 3.14Å; D169-D173 PolarHBondContact O-N 3.12Å
170S98.9Very high98.8Very high26 Ų2654.1 Ų54.118%0.18228%0.279CS..Hα-helixtrans-60.7-44.1174178.40000111.5A160 V167 R172 D173 I174A160-S170 WeakPolarHBondContact CB-OG 3.43Å; A160-S170 PolarHBondContact N-OG 2.93Å; A160-S170 VanDerWaalsContact N-OG 3.09Å; V167-S170 WeakPolarHBondContact O-CB 3.37Å; V167-S170 PolarHBondContact O-N 2.94Å; V167-S170 VanDerWaalsContact O-N 3.09Å; S170-R172 VanDerWaalsContact C-N 3.32Å; S170-R172 PolarHBondContact O-N 2.86Å; S170-D173 PolarHBondContact O-N 3.27Å; S170-I174 WeakPolarHBondContact O-CD1 3.38Å; S170-I174 VanDerWaalsContact O-CG1 3.29Å; S170-I174 WeakPolarHBondContact O-CG1 3.48Å; S170-I174 PolarHBondContact O-N 3.19Å
171L98.9Very high98.7Very high0 Ų056.9 Ų56.90%028%0.284CS..Hα-helixtrans-60-43.6175.4-18058.8000111.4L136 V159 V167 P168 D169 I174 L175 L194 I216 L219 F225L136-L171 HydrophobicContact CD1-CD1 3.87Å; V159-L171 HydrophobicContact CG1-CB 3.85Å; V159-L171 HydrophobicContact CG1-CD1 4.43Å; V159-L171 HydrophobicContact CG2-CD1 4.06Å; V167-L171 PolarHBondContact O-N 2.97Å; P168-L171 WeakPolarHBondContact O-CB 3.42Å; P168-L171 PolarHBondContact O-N 2.82Å; D169-L171 VanDerWaalsContact C-N 3.34Å; D169-L171 PolarHBondContact O-N 2.94Å; L171-I174 PolarHBondContact O-N 3.39Å; L171-L175 HydrophobicContact CD1-CD1 3.79Å; L171-L175 HydrophobicContact CD1-CG 4.12Å; L171-L175 HydrophobicContact CG-CD1 3.76Å; L171-L175 HydrophobicContact CG-CG 4.49Å; L171-L175 WeakPolarHBondContact O-CB 3.27Å; L171-L175 WeakPolarHBondContact O-CD1 3.49Å; L171-L175 WeakPolarHBondContact O-CG 3.5Å; L171-L175 PolarHBondContact O-N 3.13Å; L171-L194 HydrophobicContact CD2-CD2 4.24Å; L171-I216 HydrophobicContact CD2-CB 4.33Å; L171-I216 HydrophobicContact CD2-CG1 4.02Å; L171-I216 HydrophobicContact CD2-CG2 4.02Å; L171-L219 HydrophobicContact CB-CD1 4.18Å; L171-L219 HydrophobicContact CD2-CB 4.31Å; L171-L219 HydrophobicContact CD2-CD1 3.83Å; L171-L219 HydrophobicContact CG-CD1 3.89Å; L171-F225 HydrophobicContact CD2-CZ 4.43Å
172R98.9Very high98.7Very high92 Ų9256.1 Ų56.135%0.34728%0.277SS..Hα-helixtrans-62.5-43.9178.3-168.6179.5-53108.93.8111.9P168 D169 S170 L175 S176 E215 L219P168-R172 WeakPolarHBondContact O-CB 3.24Å; P168-R172 PolarHBondContact O-N 3.04Å; D169-R172 WeakPolarHBondContact O-CB 3.06Å; D169-R172 PolarHBondContact O-N 3.06Å; D169-R172 VanDerWaalsContact O-N 3.17Å; D169-R172 IonicContact OD1-CZ 3.86Å; D169-R172 IonicContact OD1-NH1 3.52Å; D169-R172 PolarHBondContact OD1-NH1 3.02Å; D169-R172 IonicContact OD1-NH2 3.14Å; S170-R172 VanDerWaalsContact C-N 3.32Å; S170-R172 PolarHBondContact O-N 2.86Å; R172-L175 PolarHBondContact O-N 3.44Å; R172-S176 PolarHBondContact O-N 3.48Å; R172-E215 IonicContact NH2-OE2 3.51Å; R172-E215 PolarHBondContact NH2-OE2 3.27Å; R172-E215 VanDerWaalsContact NH2-OE2 3.14Å; R172-L219 HydrophobicContact CB-CD1 4.19Å; R172-L219 HydrophobicContact CB-CD2 4.25Å; R172-L219 HydrophobicContact CG-CD2 4.1Å
173D98.9Very high98.7Very high111 Ų11154.5 Ų54.559%0.59427%0.269SS*.Hα-helixtrans-65.3-42.7178.9-72.2-10.6000111.4D169 S170 L175 S176D169-D173 PolarHBondContact O-N 3.12Å; S170-D173 PolarHBondContact O-N 3.27Å; D173-L175 PolarHBondContact O-N 3.37Å; D173-S176 WeakPolarHBondContact O-CB 3.36Å; D173-S176 PolarHBondContact O-N 3.43Å; D173-S176 PolarHBondContact O-OG 2.92Å
174I98.9Very high98.7Very high17 Ų1759.1 Ų59.19%0.08729%0.288CS..Hα-helixtrans-60.3-46.7173.9-70.7163.6000110.8L136 I157 N158 V159 S170 L171 S176 R177 W178L136-I174 HydrophobicContact CD2-CG2 3.86Å; I157-I174 HydrophobicContact CG2-CD1 4.42Å; I157-I174 HydrophobicContact CG2-CG2 3.77Å; N158-I174 VanDerWaalsContact O-CD1 3.24Å; N158-I174 WeakPolarHBondContact O-CD1 3.47Å; V159-I174 HydrophobicContact CB-CD1 4.26Å; V159-I174 HydrophobicContact CG1-CD1 4.39Å; V159-I174 HydrophobicContact CG2-CD1 3.94Å; S170-I174 WeakPolarHBondContact O-CD1 3.38Å; S170-I174 VanDerWaalsContact O-CG1 3.29Å; S170-I174 WeakPolarHBondContact O-CG1 3.48Å; S170-I174 PolarHBondContact O-N 3.19Å; L171-I174 PolarHBondContact O-N 3.39Å; I174-S176 PolarHBondContact O-N 3.4Å; I174-R177 WeakPolarHBondContact O-CB 3.27Å; I174-R177 WeakPolarHBondContact O-CD 3.4Å; I174-R177 VanDerWaalsContact O-CG 3.25Å; I174-R177 WeakPolarHBondContact O-CG 3.35Å; I174-R177 PolarHBondContact O-N 2.91Å; I174-W178 WeakPolarHBondContact O-CZ3 3.44Å
175L98.9Very high98.7Very high0 Ų058.1 Ų58.10%029%0.285CS..Hα-helixtrans-68.9-21.6-177.7-70.1167.4000113.1L136 L171 R172 D173 R177 W178 P191 L219 Y223 F225L136-L175 HydrophobicContact CD1-CD2 4.17Å; L171-L175 HydrophobicContact CD1-CD1 3.79Å; L171-L175 HydrophobicContact CD1-CG 4.12Å; L171-L175 HydrophobicContact CG-CD1 3.76Å; L171-L175 HydrophobicContact CG-CG 4.49Å; L171-L175 WeakPolarHBondContact O-CB 3.27Å; L171-L175 WeakPolarHBondContact O-CD1 3.49Å; L171-L175 WeakPolarHBondContact O-CG 3.5Å; L171-L175 PolarHBondContact O-N 3.13Å; R172-L175 PolarHBondContact O-N 3.44Å; D173-L175 PolarHBondContact O-N 3.37Å; L175-R177 PolarHBondContact O-N 3.1Å; L175-W178 PolarHBondContact O-N 3.26Å; L175-P191 HydrophobicContact CD2-CG 4.19Å; L175-L219 HydrophobicContact CD1-CB 3.99Å; L175-L219 HydrophobicContact CD1-CD2 4.27Å; L175-Y223 HydrophobicContact CB-CD1 4.33Å; L175-Y223 HydrophobicContact CB-CD2 3.9Å; L175-Y223 HydrophobicContact CB-CE1 4.13Å; L175-Y223 HydrophobicContact CB-CE2 3.63Å; L175-Y223 HydrophobicContact CB-CG 4.22Å; L175-Y223 HydrophobicContact CD1-CD2 3.69Å; L175-Y223 HydrophobicContact CD1-CE2 4.02Å; L175-Y223 HydrophobicContact CD1-CG 4.3Å; L175-Y223 HydrophobicContact CD2-CD2 4.3Å; L175-Y223 HydrophobicContact CD2-CG 4.09Å; L175-Y223 HydrophobicContact CG-CD2 4.19Å; L175-Y223 HydrophobicContact CG-CE2 4.37Å; L175-Y223 HydrophobicContact CG-CG 4.44Å; L175-Y223 WeakPolarHBondContact O-CE1 3.2Å; L175-F225 HydrophobicContact CD1-CE1 3.69Å; L175-F225 HydrophobicContact CD1-CZ 4.19Å; L175-F225 HydrophobicContact CD2-CD1 4.3Å; L175-F225 HydrophobicContact CD2-CE1 3.9Å; L175-F225 HydrophobicContact CG-CE1 4.46Å
176S98.6Very high98.6Very high81 Ų8163 Ų6357%0.56632%0.316SS*.THydrogen-bonded Turntrans-60.9-14.1177.378.20000114.2R172 D173 I174 W178R172-S176 PolarHBondContact O-N 3.48Å; D173-S176 WeakPolarHBondContact O-CB 3.36Å; D173-S176 PolarHBondContact O-N 3.43Å; D173-S176 PolarHBondContact O-OG 2.92Å; I174-S176 PolarHBondContact O-N 3.4Å; S176-W178 PolarHBondContact O-N 3.47Å
177R98.6Very high98.6Very high169 Ų16971.4 Ų71.464%0.63836%0.355SS*.THydrogen-bonded Turntrans-63-18.2171.6-63.2173.6-173-177.93.4113.3I174 L175I174-R177 WeakPolarHBondContact O-CB 3.27Å; I174-R177 WeakPolarHBondContact O-CD 3.4Å; I174-R177 VanDerWaalsContact O-CG 3.25Å; I174-R177 WeakPolarHBondContact O-CG 3.35Å; I174-R177 PolarHBondContact O-N 2.91Å; L175-R177 PolarHBondContact O-N 3.1Å
178W98.8Very high98.6Very high34 Ų3474.7 Ų74.713%0.12937%0.367CS..SBendtrans-123.4159.4179.3-61.5-86000111.3I157 I174 L175 S176 D182 K188 T190 P191 Y223I157-W178 HydrophobicContact CD1-CH2 4.05Å; I174-W178 WeakPolarHBondContact O-CZ3 3.44Å; L175-W178 PolarHBondContact O-N 3.26Å; S176-W178 PolarHBondContact O-N 3.47Å; W178-D182 HydrophobicContact CB-CB 4.45Å; W178-K188 PolarHBondContact NE1-O 3.37Å; W178-T190 HydrophobicContact CB-CG2 3.79Å; W178-T190 VanDerWaalsContact CD1-CG2 3.47Å; W178-T190 HydrophobicContact CD2-CG2 4.31Å; W178-T190 HydrophobicContact CG-CG2 3.58Å; W178-P191 HydrophobicContact CH2-CG 4.16Å; W178-P191 HydrophobicContact CZ3-CG 4.05Å; W178-Y223 WeakPolarHBondContact O-CE1 3.34Å
179K98.6Very high98.5Very high126 Ų12676.5 Ų76.555%0.54838%0.376SS..  trans-92.1147.7163.7-55.5-174.8-176.9-179.90109.9E181 D182K179-E181 VanDerWaalsContact CB-CD 3.43Å; K179-E181 HydrophobicContact CB-CG 4.17Å; K179-E181 WeakPolarHBondContact CB-OE2 3.47Å; K179-E181 VanDerWaalsContact CD-OE1 3.25Å; K179-E181 WeakPolarHBondContact CD-OE1 3.38Å; K179-E181 PolarHBondContact O-N 3.42Å; K179-E181 VanDerWaalsContact O-N 3.13Å; K179-D182 PolarHBondContact N-OD2 2.94Å; K179-D182 WeakPolarHBondContact O-CB 3.07Å; K179-D182 PolarHBondContact O-N 3.17Å
180P98.6Very high98.5Very high45 Ų4572.5 Ų72.529%0.29236%0.355SS..G310 helixtrans-47.2-41.6176.3-34.640.5000114.7D182 S183 K222 Y223P180-D182 PolarHBondContact O-N 3.26Å; P180-S183 WeakPolarHBondContact O-CB 3.28Å; P180-S183 PolarHBondContact O-N 2.86Å; P180-S183 PolarHBondContact O-OG 3.19Å; P180-K222 HydrophobicContact CB-CG 4.44Å; P180-K222 WeakPolarHBondContact CB-O 3.41Å; P180-K222 HydrophobicContact CG-CG 3.92Å; P180-Y223 HydrophobicContact CG-CE1 4.27Å
181E98.2Very high98.5Very high106 Ų10671.3 Ų71.350%0.49535%0.347SS..G310 helixtrans-67.1-20.2179.461.8-90.4-151.900114.3K179 S183 K184K179-E181 VanDerWaalsContact CB-CD 3.43Å; K179-E181 HydrophobicContact CB-CG 4.17Å; K179-E181 WeakPolarHBondContact CB-OE2 3.47Å; K179-E181 VanDerWaalsContact CD-OE1 3.25Å; K179-E181 WeakPolarHBondContact CD-OE1 3.38Å; K179-E181 PolarHBondContact O-N 3.42Å; K179-E181 VanDerWaalsContact O-N 3.13Å; E181-S183 PolarHBondContact O-N 2.85Å; E181-S183 VanDerWaalsContact O-N 3.16Å; E181-K184 WeakPolarHBondContact O-CB 3.46Å; E181-K184 PolarHBondContact O-N 2.99Å
182D98.8Very high98.5Very high25 Ų2572.4 Ų72.413%0.13435%0.351CS..G310 helixtrans-63.6-19.9176.4-70.7-33.7000111.7W178 K179 P180 K184 N185 K188 T190W178-D182 HydrophobicContact CB-CB 4.45Å; K179-D182 PolarHBondContact N-OD2 2.94Å; K179-D182 WeakPolarHBondContact O-CB 3.07Å; K179-D182 PolarHBondContact O-N 3.17Å; P180-D182 PolarHBondContact O-N 3.26Å; D182-K184 PolarHBondContact O-N 3.47Å; D182-K184 VanDerWaalsContact O-N 3.16Å; D182-N185 PolarHBondContact O-N 3.2Å; D182-N185 VanDerWaalsContact O-O 3.13Å; D182-K188 HydrophobicContact CB-CB 3.7Å; D182-K188 HydrophobicContact CB-CD 4.44Å; D182-K188 HydrophobicContact CB-CG 3.78Å; D182-K188 WeakPolarHBondContact OD1-CE 3.33Å; D182-K188 WeakPolarHBondContact OD1-CG 3.45Å; D182-T190 HydrophobicContact CB-CG2 3.68Å
183S98.3Very high98.6Very high10 Ų1068 Ų687%0.0734%0.335CS..G310 helixtrans-54.6-28.8170.759.30000113.3R5 P180 E181 T190R5-S183 VanDerWaalsContact CD-O 3.25Å; R5-S183 WeakPolarHBondContact CD-O 3.39Å; R5-S183 PolarHBondContact NE-O 3.34Å; P180-S183 WeakPolarHBondContact O-CB 3.28Å; P180-S183 PolarHBondContact O-N 2.86Å; P180-S183 PolarHBondContact O-OG 3.19Å; E181-S183 PolarHBondContact O-N 2.85Å; E181-S183 VanDerWaalsContact O-N 3.16Å; S183-T190 WeakPolarHBondContact CA-OG1 3.32Å
184K98.3Very high98.6Very high182 Ų18262.7 Ų62.779%0.79131%0.306SS*.G310 helixtrans-85.4-9.7-179.8-59.3174.2-175172.90113.3E181 D182E181-K184 WeakPolarHBondContact O-CB 3.46Å; E181-K184 PolarHBondContact O-N 2.99Å; D182-K184 PolarHBondContact O-N 3.47Å; D182-K184 VanDerWaalsContact O-N 3.16Å
185N98.3Very high98.6Very high61 Ų6162 Ų6233%0.32630%0.303SS..  trans-112.4105.3178.8-176.8-7.6000110.6D182 Q187 K188D182-N185 PolarHBondContact O-N 3.2Å; D182-N185 VanDerWaalsContact O-O 3.13Å; N185-Q187 PolarHBondContact O-N 3.09Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.42Å; N185-Q187 PolarHBondContact OD1-N 2.8Å; N185-K188 HydrophobicContact CB-CG 3.91Å; N185-K188 WeakPolarHBondContact O-CB 3.32Å; N185-K188 PolarHBondContact O-N 3.48Å
186P97.1Very high98.6Very high112 Ų11262.1 Ų62.173%0.72730%0.303SS*.G310 helixtrans-55-29.1-179.9-2735.4000114.6K188 N189P186-K188 PolarHBondContact O-N 2.91Å; P186-N189 PolarHBondContact O-N 3.49Å
187Q98.3Very high98.6Very high176 Ų17658.6 Ų58.682%0.82228%0.278SS*.G310 helixtrans-68.5-18.5179.7-62.9-179.8-17.600113.5N185 N189N185-Q187 PolarHBondContact O-N 3.09Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.42Å; N185-Q187 PolarHBondContact OD1-N 2.8Å; Q187-N189 VanDerWaalsContact C-N 3.28Å
188K98.6Very high98.6Very high101 Ų10150.6 Ų50.644%0.43925%0.248SC..G310 helixtrans-79.2-14.3178.3-65.6-69.2-170.8178.50113.2W178 D182 N185 P186 T190W178-K188 PolarHBondContact NE1-O 3.37Å; D182-K188 HydrophobicContact CB-CB 3.7Å; D182-K188 HydrophobicContact CB-CD 4.44Å; D182-K188 HydrophobicContact CB-CG 3.78Å; D182-K188 WeakPolarHBondContact OD1-CE 3.33Å; D182-K188 WeakPolarHBondContact OD1-CG 3.45Å; N185-K188 HydrophobicContact CB-CG 3.91Å; N185-K188 WeakPolarHBondContact O-CB 3.32Å; N185-K188 PolarHBondContact O-N 3.48Å; P186-K188 PolarHBondContact O-N 2.91Å; K188-T190 PolarHBondContact O-N 3.05Å
189N98.3Very high98.6Very high43 Ų4349 Ų4923%0.2324%0.242CC..  trans49.445.8177.5-164.114000112.8G132 N134 P186 Q187G132-N189 PolarHBondContact O-ND2 3.33Å; N134-N189 PolarHBondContact N-OD1 2.88Å; N134-N189 PolarHBondContact ND2-ND2 3.4Å; N134-N189 PolarHBondContact ND2-O 2.86Å; P186-N189 PolarHBondContact O-N 3.49Å; Q187-N189 VanDerWaalsContact C-N 3.28Å
190T98.9Very high98.6Very high5 Ų543 Ų433%0.03122%0.217CC..  trans-61.6147.6169.938.60000109.8R5 W178 D182 S183 K188 K192R5-T190 PolarHBondContact NH2-O 2.98Å; R5-T190 PolarHBondContact NH2-OG1 3.28Å; W178-T190 HydrophobicContact CB-CG2 3.79Å; W178-T190 VanDerWaalsContact CD1-CG2 3.47Å; W178-T190 HydrophobicContact CD2-CG2 4.31Å; W178-T190 HydrophobicContact CG-CG2 3.58Å; D182-T190 HydrophobicContact CB-CG2 3.68Å; S183-T190 WeakPolarHBondContact CA-OG1 3.32Å; K188-T190 PolarHBondContact O-N 3.05Å; T190-K192 PolarHBondContact O-N 3.11Å
191P98.9Very high98.6Very high2 Ų241.1 Ų41.11%0.01320%0.204CC..  trans-52141.5-177-29.336.1000113.6R5 N134 L136 L175 W178R5-P191 PolarHBondContact NH2-O 3.35Å; N134-P191 HydrophobicContact CB-CG 4.44Å; N134-P191 CarbonylContact O-C 3.28Å; N134-P191 VanDerWaalsContact O-CA 3.29Å; N134-P191 WeakPolarHBondContact O-CA 3.45Å; L136-P191 HydrophobicContact CD1-CB 3.7Å; L136-P191 HydrophobicContact CD1-CG 3.94Å; L136-P191 HydrophobicContact CD2-CG 4.33Å; L136-P191 HydrophobicContact CG-CB 3.92Å; L136-P191 HydrophobicContact CG-CG 4.12Å; L175-P191 HydrophobicContact CD2-CG 4.19Å; W178-P191 HydrophobicContact CH2-CG 4.16Å; W178-P191 HydrophobicContact CZ3-CG 4.05Å
192K98.9Very high98.6Very high22 Ų2236.7 Ų36.710%0.09618%0.184CC..  trans-80.6-42.8177.6-64.8-61-169.4175.30111.8R5 F6 I128 D133 N134 T190 L226R5-K192 PolarHBondContact O-NZ 3.07Å; F6-K192 WeakPolarHBondContact CD1-O 3.29Å; F6-K192 VanDerWaalsContact CE1-O 3.23Å; F6-K192 WeakPolarHBondContact CE1-O 3.09Å; I128-K192 HydrophobicContact CG2-CB 3.72Å; I128-K192 HydrophobicContact CG2-CG 4.19Å; D133-K192 HydrophobicContact CB-CG 3.95Å; D133-K192 WeakPolarHBondContact OD1-CE 3.38Å; D133-K192 VanDerWaalsContact OD2-CE 3.27Å; D133-K192 WeakPolarHBondContact OD2-CE 3.34Å; N134-K192 PolarHBondContact O-N 2.82Å; T190-K192 PolarHBondContact O-N 3.11Å; K192-L226 PolarHBondContact O-N 3.24Å
193F98.9Very high98.6Very high0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-155.2162.9179.963.5-100.2000112.5F125 I128 I129 V135 L136 L149 L226 I228F125-F193 HydrophobicContact CD1-CE1 4.43Å; F125-F193 HydrophobicContact CD1-CE2 4.46Å; F125-F193 AromaticContact CD1-CZ 3.9Å; F125-F193 HydrophobicContact CD1-CZ 3.9Å; F125-F193 HydrophobicContact CE1-CE2 4.27Å; F125-F193 HydrophobicContact CE1-CZ 4.16Å; I128-F193 HydrophobicContact CB-CD1 4.48Å; I128-F193 HydrophobicContact CD1-CD1 4.1Å; I128-F193 HydrophobicContact CG2-CD1 3.9Å; I128-F193 HydrophobicContact CG2-CE1 4.25Å; I129-F193 HydrophobicContact CD1-CE1 3.84Å; I129-F193 HydrophobicContact CD1-CZ 3.92Å; I129-F193 HydrophobicContact CG1-CE1 3.79Å; I129-F193 HydrophobicContact CG1-CZ 4.38Å; V135-F193 HydrophobicContact CB-CD2 4.4Å; V135-F193 HydrophobicContact CB-CE1 4.25Å; V135-F193 HydrophobicContact CB-CE2 3.9Å; V135-F193 HydrophobicContact CB-CZ 3.83Å; V135-F193 HydrophobicContact CG1-CD1 4.03Å; V135-F193 HydrophobicContact CG1-CE1 3.47Å; V135-F193 VanDerWaalsContact CG1-CE1 3.47Å; V135-F193 HydrophobicContact CG1-CE2 4.04Å; V135-F193 HydrophobicContact CG1-CZ 3.47Å; V135-F193 VanDerWaalsContact CG1-CZ 3.47Å; V135-F193 HydrophobicContact CG2-CZ 4.46Å; L136-F193 PolarHBondContact N-O 2.87Å; L149-F193 HydrophobicContact CD2-CZ 4.08Å; F193-L226 CarbonylContact C-O 3.51Å; F193-L226 WeakPolarHBondContact CA-O 3.49Å; F193-L226 HydrophobicContact CB-CB 3.96Å; F193-L226 VanDerWaalsContact CB-O 3.29Å; F193-L226 WeakPolarHBondContact CB-O 3.28Å; F193-I228 HydrophobicContact CB-CD1 4.16Å; F193-I228 HydrophobicContact CB-CG1 4.2Å; F193-I228 HydrophobicContact CD1-CD1 3.89Å; F193-I228 HydrophobicContact CD2-CD1 3.55Å; F193-I228 HydrophobicContact CD2-CG1 4.1Å; F193-I228 HydrophobicContact CE1-CD1 4.1Å; F193-I228 HydrophobicContact CE2-CD1 3.81Å; F193-I228 HydrophobicContact CG-CD1 3.59Å; F193-I228 HydrophobicContact CG-CG1 4.14Å; F193-I228 HydrophobicContact CZ-CD1 4.07Å
194L99Very high98.6Very high0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-104.2123.1160.5173.365.8000108.9L136 I166 L171 I216 F225 L226 I227 I228L136-L194 HydrophobicContact CB-CB 4.29Å; L136-L194 HydrophobicContact CB-CD1 3.65Å; L136-L194 CarbonylContact O-C 3.47Å; L136-L194 WeakPolarHBondContact O-CA 3.45Å; I166-L194 HydrophobicContact CD1-CD1 3.83Å; I166-L194 HydrophobicContact CD1-CD2 4.02Å; I166-L194 HydrophobicContact CD1-CG 4.28Å; L171-L194 HydrophobicContact CD2-CD2 4.24Å; L194-I216 HydrophobicContact CD2-CG2 3.35Å; L194-F225 HydrophobicContact CB-CD2 4.03Å; L194-F225 HydrophobicContact CB-CE2 3.68Å; L194-F225 HydrophobicContact CD2-CE2 4.38Å; L194-L226 PolarHBondContact N-O 3.22Å; L194-I227 CarbonylContact O-C 3.59Å; L194-I227 WeakPolarHBondContact O-CA 3.43Å; L194-I228 PolarHBondContact O-N 3.24Å
195Y98.9Very high98.7Very high3 Ų326.9 Ų26.91%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-99.8136.1168.8167.1-88.4000109L121 F125 L136 L137 T145 V197 I228 D230L121-Y195 HydrophobicContact CD2-CE2 4.44Å; F125-Y195 HydrophobicContact CE1-CD2 4.15Å; F125-Y195 AromaticContact CZ-CD2 3.86Å; F125-Y195 HydrophobicContact CZ-CD2 3.86Å; F125-Y195 HydrophobicContact CZ-CE2 4.09Å; L136-Y195 PolarHBondContact O-N 3.28Å; L137-Y195 WeakPolarHBondContact CA-O 3.44Å; L137-Y195 HydrophobicContact CB-CD1 4.13Å; L137-Y195 WeakPolarHBondContact CB-O 3.4Å; T145-Y195 HydrophobicContact CG2-CD1 3.99Å; T145-Y195 HydrophobicContact CG2-CD2 4.32Å; T145-Y195 HydrophobicContact CG2-CE1 3.64Å; T145-Y195 HydrophobicContact CG2-CE2 3.97Å; T145-Y195 HydrophobicContact CG2-CG 4.33Å; T145-Y195 PolarHBondContact OG1-OH 3.27Å; Y195-V197 HydrophobicContact CE1-CG2 4.32Å; Y195-V197 WeakPolarHBondContact OH-CG2 3.26Å; Y195-I228 HydrophobicContact CD2-CB 4.31Å; Y195-I228 HydrophobicContact CD2-CG2 4Å; Y195-D230 HydrophobicContact CD2-CB 4.34Å; Y195-D230 HydrophobicContact CE2-CB 3.44Å; Y195-D230 VanDerWaalsContact CE2-CB 3.44Å; Y195-D230 PolarHBondContact OH-OD2 3.03Å
196T98.9Very high98.7Very high1 Ų124.7 Ų24.71%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-153.9154.1171.7-167.60000111.2D138 I166 P198 L208 I228 D230 F246D138-T196 WeakPolarHBondContact OD1-CB 3.43Å; D138-T196 PolarHBondContact OD1-OG1 2.77Å; I166-T196 HydrophobicContact CD1-CG2 4.33Å; T196-P198 WeakPolarHBondContact O-CD 3.32Å; T196-L208 HydrophobicContact CG2-CD1 4.13Å; T196-I228 PolarHBondContact N-O 2.92Å; T196-D230 PolarHBondContact O-N 2.91Å; T196-D230 VanDerWaalsContact O-N 3.09Å; T196-F246 HydrophobicContact CG2-CE2 3.98Å
197V98.9Very high98.8Very high7 Ų720 Ų204%0.04210%0.098CC..  trans-101.197.3167.2179.30000107.5Y195 S199 N201 D230 Y233Y195-V197 HydrophobicContact CE1-CG2 4.32Å; Y195-V197 WeakPolarHBondContact OH-CG2 3.26Å; V197-S199 VanDerWaalsContact C-N 3.32Å; V197-S199 PolarHBondContact O-N 3.17Å; V197-N201 HydrophobicContact CB-CB 4.29Å; V197-N201 HydrophobicContact CG1-CB 4.46Å; V197-D230 VanDerWaalsContact CA-O 3.28Å; V197-D230 WeakPolarHBondContact CA-O 3.36Å; V197-D230 WeakPolarHBondContact CG1-O 3.2Å; V197-D230 HydrophobicContact CG2-CB 4.24Å; V197-Y233 HydrophobicContact CG1-CD2 4.33Å
198P98.8Very high98.8Very high1 Ų111.9 Ų11.91%0.0066%0.06CC..  trans-78-16.8-165.134.2-40.7000113.9T196 S207 L208 E229 D230 D231T196-P198 WeakPolarHBondContact O-CD 3.32Å; P198-S207 CarbonylContact O-C 3.48Å; P198-S207 WeakPolarHBondContact O-CA 3.36Å; P198-L208 HydrophobicContact CB-CB 4.48Å; P198-L208 HydrophobicContact CB-CD1 4.08Å; P198-L208 PolarHBondContact O-N 3.44Å; P198-E229 HydrophobicContact CG-CG 3.76Å; P198-D230 WeakPolarHBondContact CD-O 3.45Å; P198-D231 HydrophobicContact CG-CB 4.06Å
199S98.6Very high98.8Very high1 Ų18.9 Ų8.91%0.0075%0.051CC..SBendtrans-124.8119.5-179.8-39.40000108.8V197 N201 S207 D231 Y233V197-S199 VanDerWaalsContact C-N 3.32Å; V197-S199 PolarHBondContact O-N 3.17Å; S199-N201 PolarHBondContact O-N 3.08Å; S199-S207 WeakPolarHBondContact CA-OG 3.26Å; S199-D231 WeakPolarHBondContact CB-OD1 3.49Å; S199-D231 PolarHBondContact OG-OD1 2.87Å; S199-Y233 WeakPolarHBondContact O-CB 3.28Å
200G98.6Very high98.8Very high1 Ų17.9 Ų7.91%0.015%0.047CC..SBendtrans5753.7172.700000112.6N202 N206 S207 Y233 A352G200-N202 PolarHBondContact O-N 3.42Å; G200-N206 WeakPolarHBondContact CA-O 3.37Å; G200-N206 PolarHBondContact N-O 2.96Å; G200-S207 PolarHBondContact N-OG 3.49Å; G200-Y233 WeakPolarHBondContact O-CD2 3.43Å; G200-A352 WeakPolarHBondContact CA-O 3.4Å
201N98.8Very high98.8Very high5 Ų513 Ų133%0.0277%0.07CC..  trans-46.5138-178.4166.7-58.4000110.7D138 P140 V197 S199 P203 T204 G205 N206D138-N201 PolarHBondContact OD2-ND2 3.31Å; P140-N201 PolarHBondContact O-ND2 2.64Å; P140-N201 PolarHBondContact O-OD1 2.86Å; V197-N201 HydrophobicContact CB-CB 4.29Å; V197-N201 HydrophobicContact CG1-CB 4.46Å; S199-N201 PolarHBondContact O-N 3.08Å; N201-P203 CarbonylContact O-C 3.59Å; N201-P203 VanDerWaalsContact O-C 3.28Å; N201-T204 WeakPolarHBondContact CB-OG1 3.43Å; N201-T204 PolarHBondContact O-N 2.82Å; N201-T204 PolarHBondContact OD1-N 3.42Å; N201-T204 PolarHBondContact OD1-OG1 3.12Å; N201-G205 PolarHBondContact O-N 3.37Å; N201-N206 PolarHBondContact N-O 3.36Å
202N98.6Very high98.8Very high12 Ų1214.7 Ų14.76%0.0648%0.077CC..THydrogen-bonded Turntrans-96.3106.7171.4177.18.2000108.1A141 Y142 G200 Y233 F355 F387 R399A141-N202 CarbonylContact C-O 3.56Å; Y142-N202 WeakPolarHBondContact CA-O 3.35Å; Y142-N202 PolarHBondContact N-O 2.96Å; Y142-N202 VanDerWaalsContact N-O 3.12Å; G200-N202 PolarHBondContact O-N 3.42Å; N202-Y233 HydrophobicContact CB-CE2 4.21Å; N202-F355 HydrophobicContact CB-CD2 4.04Å; N202-F355 HydrophobicContact CB-CE2 3.94Å; N202-F355 WeakPolarHBondContact ND2-CE2 3.49Å; N202-F355 WeakPolarHBondContact OD1-CE2 3.34Å; N202-F387 WeakPolarHBondContact OD1-CE1 3.41Å; N202-R399 PolarHBondContact ND2-NH1 2.78Å; N202-R399 WeakPolarHBondContact OD1-CD 3.49Å; N202-R399 PolarHBondContact OD1-NH1 2.88Å
203P98.7Very high98.8Very high0 Ų013.7 Ų13.70%07%0.072CC..THydrogen-bonded Turncis-107.4-9.430.539.8-38.3000117.3P140 N201 G205 W357 F387 R399P140-P203 HydrophobicContact CB-CG 3.79Å; P140-P203 HydrophobicContact CG-CG 3.8Å; N201-P203 CarbonylContact O-C 3.59Å; N201-P203 VanDerWaalsContact O-C 3.28Å; P203-G205 PolarHBondContact O-N 3.44Å; P203-W357 HydrophobicContact CB-CD2 4.18Å; P203-W357 HydrophobicContact CB-CE3 3.64Å; P203-W357 HydrophobicContact CB-CH2 4.08Å; P203-W357 HydrophobicContact CB-CZ3 3.62Å; P203-W357 HydrophobicContact CG-CD2 4.07Å; P203-W357 HydrophobicContact CG-CE3 3.9Å; P203-W357 HydrophobicContact CG-CH2 3.63Å; P203-W357 HydrophobicContact CG-CZ2 3.84Å; P203-W357 HydrophobicContact CG-CZ3 3.72Å; P203-F387 HydrophobicContact CB-CD1 3.91Å; P203-F387 HydrophobicContact CB-CD2 4.03Å; P203-F387 HydrophobicContact CB-CE1 3.87Å; P203-F387 HydrophobicContact CB-CE2 3.99Å; P203-F387 HydrophobicContact CB-CG 3.99Å; P203-F387 HydrophobicContact CB-CZ 3.9Å; P203-F387 HydrophobicContact CG-CB 3.87Å; P203-F387 HydrophobicContact CG-CD1 3.79Å; P203-F387 HydrophobicContact CG-CD2 3.88Å; P203-F387 HydrophobicContact CG-CE1 4.28Å; P203-F387 HydrophobicContact CG-CE2 4.36Å; P203-F387 HydrophobicContact CG-CG 3.57Å; P203-R399 HydrophobicContact CB-CB 4.15Å; P203-R399 HydrophobicContact CB-CG 3.83Å
204T98.9Very high98.8Very high10 Ų1019 Ų196%0.06110%0.095CC..THydrogen-bonded Turntrans-70.8-30.3-161.263.10000115.6P140 N201 N206 W357P140-T204 HydrophobicContact CG-CG2 3.5Å; P140-T204 VanDerWaalsContact CG-CG2 3.5Å; N201-T204 WeakPolarHBondContact CB-OG1 3.43Å; N201-T204 PolarHBondContact O-N 2.82Å; N201-T204 PolarHBondContact OD1-N 3.42Å; N201-T204 PolarHBondContact OD1-OG1 3.12Å; T204-N206 PolarHBondContact O-N 3.38Å; T204-N206 WeakPolarHBondContact OG1-CB 3.47Å; T204-N206 PolarHBondContact OG1-N 2.94Å; T204-N206 VanDerWaalsContact OG1-N 3.13Å; T204-W357 WeakPolarHBondContact O-CB 3.42Å
205G98.7Very high98.8Very high1 Ų122.9 Ų22.91%0.0111%0.113CC..  trans77.90.9-16800000114N201 P203 P350 A351N201-G205 PolarHBondContact O-N 3.37Å; P203-G205 PolarHBondContact O-N 3.44Å; G205-P350 WeakPolarHBondContact O-CA 3.43Å; G205-A351 PolarHBondContact O-N 3.05Å
206N98.8Very high98.8Very high15 Ų1522.8 Ų22.88%0.0811%0.113CC..  trans-78.9155.6-177-60.9-14.5000111.6D162 E163 G200 N201 T204D162-N206 PolarHBondContact O-ND2 3.07Å; E163-N206 WeakPolarHBondContact CA-ND2 3.34Å; G200-N206 WeakPolarHBondContact CA-O 3.37Å; G200-N206 PolarHBondContact N-O 2.96Å; N201-N206 PolarHBondContact N-O 3.36Å; T204-N206 PolarHBondContact O-N 3.38Å; T204-N206 WeakPolarHBondContact OG1-CB 3.47Å; T204-N206 PolarHBondContact OG1-N 2.94Å; T204-N206 VanDerWaalsContact OG1-N 3.13Å
207S98.9Very high98.8Very high15 Ų1523 Ų2311%0.10511%0.113CC..  trans-134.1143.2178.8-63.50000111.2H164 P198 S199 G200 A351H164-S207 CarbonylContact C-O 3.59Å; H164-S207 WeakPolarHBondContact CA-O 3.38Å; P198-S207 CarbonylContact O-C 3.48Å; P198-S207 WeakPolarHBondContact O-CA 3.36Å; S199-S207 WeakPolarHBondContact CA-OG 3.26Å; G200-S207 PolarHBondContact N-OG 3.49Å; S207-A351 WeakPolarHBondContact OG-CB 3.38Å
208L98.9Very high98.8Very high4 Ų427.4 Ų27.42%0.02113%0.134CC..  trans-67.9140.6173.3-85.4166.8000111.8H164 I166 T196 P198 R212 K213 I216 F246H164-L208 WeakPolarHBondContact O-CA 3.4Å; H164-L208 WeakPolarHBondContact O-CD2 3.45Å; I166-L208 HydrophobicContact CB-CD2 4.17Å; T196-L208 HydrophobicContact CG2-CD1 4.13Å; P198-L208 HydrophobicContact CB-CB 4.48Å; P198-L208 HydrophobicContact CB-CD1 4.08Å; P198-L208 PolarHBondContact O-N 3.44Å; L208-R212 HydrophobicContact CD2-CB 3.91Å; L208-K213 HydrophobicContact CB-CG 4.02Å; L208-K213 HydrophobicContact CD1-CG 4.37Å; L208-I216 HydrophobicContact CD1-CD1 4.3Å; L208-I216 HydrophobicContact CD2-CD1 3.87Å; L208-F246 HydrophobicContact CD1-CE2 3.99Å; L208-F246 HydrophobicContact CD1-CZ 4.14Å
209T98.8Very high98.8Very high39 Ų3927.9 Ų27.924%0.23914%0.136CC..  trans-80.4162.7170.7660000111.9H164 E211 R212 K213H164-T209 HydrophobicContact CB-CG2 4.11Å; T209-E211 VanDerWaalsContact C-N 3.3Å; T209-E211 PolarHBondContact O-N 3.06Å; T209-R212 PolarHBondContact O-N 3.16Å; T209-R212 WeakPolarHBondContact OG1-CG 3.42Å; T209-R212 PolarHBondContact OG1-N 2.92Å; T209-K213 WeakPolarHBondContact O-CG 3.26Å; T209-K213 PolarHBondContact O-N 2.88Å; T209-K213 VanDerWaalsContact O-N 3.1Å
210S98.7Very high98.8Very high22 Ų2227.8 Ų27.815%0.15414%0.136CC..Hα-helixtrans-61.1-40.9177.8-174.80000111.7K213 K214S210-K213 PolarHBondContact O-N 3.05Å; S210-K214 WeakPolarHBondContact O-CG 3.29Å; S210-K214 PolarHBondContact O-N 2.75Å; S210-K214 VanDerWaalsContact O-N 3.13Å
211E98.8Very high98.9Very high111 Ų11131.7 Ų31.752%0.51915%0.15SC..Hα-helixtrans-63.8-48.7-178.2-65.961.6-131.900110.3T209 K213 K214 E215T209-E211 VanDerWaalsContact C-N 3.3Å; T209-E211 PolarHBondContact O-N 3.06Å; E211-K213 PolarHBondContact O-N 3.41Å; E211-K214 WeakPolarHBondContact O-CB 3.42Å; E211-K214 PolarHBondContact O-N 2.71Å; E211-E215 PolarHBondContact O-N 3.44Å; E211-E215 VanDerWaalsContact O-N 3.12Å
212R98.9Very high98.9Very high39 Ų3937 Ų3715%0.14717%0.173CC..Hα-helixtrans-63.8-40177.7-70.1-175.7168.9-164.110.1112.1D162 H164 G165 I166 P168 L208 T209 K214 E215 I216D162-R212 IonicContact OD1-CZ 2.63Å; D162-R212 IonicContact OD1-NH1 2.7Å; D162-R212 PolarHBondContact OD1-NH1 2.98Å; D162-R212 IonicContact OD1-NH2 3.47Å; D162-R212 PolarHBondContact OD1-NH2 3.38Å; D162-R212 IonicContact OD2-CZ 3.45Å; D162-R212 IonicContact OD2-NH1 3.96Å; D162-R212 PolarHBondContact OD2-NH1 2.92Å; D162-R212 IonicContact OD2-NH2 2.86Å; D162-R212 PolarHBondContact OD2-NH2 3.37Å; H164-R212 PolarHBondContact O-NH1 3.12Å; G165-R212 PolarHBondContact O-NH1 3.37Å; G165-R212 VanDerWaalsContact O-NH1 3.1Å; I166-R212 WeakPolarHBondContact O-CD 3.24Å; I166-R212 PolarHBondContact O-NH1 2.75Å; P168-R212 HydrophobicContact CG-CB 3.88Å; P168-R212 HydrophobicContact CG-CG 3.73Å; L208-R212 HydrophobicContact CD2-CB 3.91Å; T209-R212 PolarHBondContact O-N 3.16Å; T209-R212 WeakPolarHBondContact OG1-CG 3.42Å; T209-R212 PolarHBondContact OG1-N 2.92Å; R212-K214 VanDerWaalsContact C-N 3.31Å; R212-K214 PolarHBondContact O-N 3.39Å; R212-E215 PolarHBondContact O-N 3.03Å; R212-I216 WeakPolarHBondContact O-CB 3.42Å; R212-I216 WeakPolarHBondContact O-CD1 3.18Å; R212-I216 WeakPolarHBondContact O-CG1 3.21Å; R212-I216 PolarHBondContact O-N 2.91Å
213K98.9Very high98.9Very high1 Ų137.3 Ų37.30%0.00417%0.173CC..Hα-helixtrans-58.9-41.3174.8-72.1-175.6-175.9-172.10112L208 T209 S210 E211 I216 Y217 V243 P244 F246 M249L208-K213 HydrophobicContact CB-CG 4.02Å; L208-K213 HydrophobicContact CD1-CG 4.37Å; T209-K213 WeakPolarHBondContact O-CG 3.26Å; T209-K213 PolarHBondContact O-N 2.88Å; T209-K213 VanDerWaalsContact O-N 3.1Å; S210-K213 PolarHBondContact O-N 3.05Å; E211-K213 PolarHBondContact O-N 3.41Å; K213-I216 PolarHBondContact O-N 3.5Å; K213-Y217 WeakPolarHBondContact O-CB 3.19Å; K213-Y217 PolarHBondContact O-N 2.91Å; K213-V243 HydrophobicContact CD-CG1 4.27Å; K213-P244 WeakPolarHBondContact CD-O 3.02Å; K213-P244 PolarHBondContact NZ-O 3.43Å; K213-F246 HydrophobicContact CB-CD1 4.27Å; K213-F246 HydrophobicContact CB-CE1 3.82Å; K213-F246 HydrophobicContact CB-CZ 4.03Å; K213-F246 HydrophobicContact CD-CD2 4.45Å; K213-F246 HydrophobicContact CD-CE2 4.34Å; K213-F246 HydrophobicContact CG-CD2 4.48Å; K213-F246 HydrophobicContact CG-CE1 4.03Å; K213-F246 HydrophobicContact CG-CE2 3.96Å; K213-F246 HydrophobicContact CG-CZ 3.72Å; K213-F246 VanDerWaalsContact O-CE1 3.28Å; K213-F246 WeakPolarHBondContact O-CE1 3.41Å; K213-M249 HydrophobicContact CB-CE 4.01Å; K213-M249 HydrophobicContact CB-SD 4.29Å
214K98.9Very high98.9Very high112 Ų11238.8 Ų38.849%0.48718%0.181SC..Hα-helixtrans-62.8-46.7176.3-66.7164.4-171.7167.60111.6S210 E211 R212 Y217 E218 M249S210-K214 WeakPolarHBondContact O-CG 3.29Å; S210-K214 PolarHBondContact O-N 2.75Å; S210-K214 VanDerWaalsContact O-N 3.13Å; E211-K214 WeakPolarHBondContact O-CB 3.42Å; E211-K214 PolarHBondContact O-N 2.71Å; R212-K214 VanDerWaalsContact C-N 3.31Å; R212-K214 PolarHBondContact O-N 3.39Å; K214-Y217 PolarHBondContact O-N 3.45Å; K214-E218 PolarHBondContact O-N 3.47Å; K214-M249 HydrophobicContact CG-CE 4.34Å; K214-M249 HydrophobicContact CG-SD 4.29Å
215E98.9Very high98.9Very high81 Ų8138.3 Ų38.338%0.37918%0.178SC..Hα-helixtrans-63.1-44178.5-71.3-174.5-130.300112.7P168 R172 E211 R212 Y217 E218 L219P168-E215 HydrophobicContact CB-CB 3.89Å; P168-E215 WeakPolarHBondContact CB-OE2 3.43Å; P168-E215 HydrophobicContact CG-CB 4.11Å; R172-E215 IonicContact NH2-OE2 3.51Å; R172-E215 PolarHBondContact NH2-OE2 3.27Å; R172-E215 VanDerWaalsContact NH2-OE2 3.14Å; E211-E215 PolarHBondContact O-N 3.44Å; E211-E215 VanDerWaalsContact O-N 3.12Å; R212-E215 PolarHBondContact O-N 3.03Å; E215-Y217 VanDerWaalsContact C-N 3.31Å; E215-Y217 PolarHBondContact O-N 3.45Å; E215-E218 PolarHBondContact O-N 3.4Å; E215-L219 WeakPolarHBondContact O-CG 3.43Å; E215-L219 PolarHBondContact O-N 2.78Å
216I98.9Very high98.9Very high0 Ų038.2 Ų38.20%018%0.178CC..Hα-helixtrans-61.2-42.2175.7-68.8163.8000110.4I166 P168 L171 L194 L208 R212 K213 L219 A220 I227 F246I166-I216 HydrophobicContact CB-CD1 3.9Å; I166-I216 HydrophobicContact CG2-CD1 3.71Å; I166-I216 HydrophobicContact CG2-CG1 4.21Å; P168-I216 HydrophobicContact CG-CG1 4.35Å; L171-I216 HydrophobicContact CD2-CB 4.33Å; L171-I216 HydrophobicContact CD2-CG1 4.02Å; L171-I216 HydrophobicContact CD2-CG2 4.02Å; L194-I216 HydrophobicContact CD2-CG2 3.35Å; L208-I216 HydrophobicContact CD1-CD1 4.3Å; L208-I216 HydrophobicContact CD2-CD1 3.87Å; R212-I216 WeakPolarHBondContact O-CB 3.42Å; R212-I216 WeakPolarHBondContact O-CD1 3.18Å; R212-I216 WeakPolarHBondContact O-CG1 3.21Å; R212-I216 PolarHBondContact O-N 2.91Å; K213-I216 PolarHBondContact O-N 3.5Å; I216-L219 PolarHBondContact O-N 3.31Å; I216-A220 PolarHBondContact O-N 3.11Å; I216-I227 HydrophobicContact CG2-CD1 4.41Å; I216-F246 HydrophobicContact CB-CE1 3.97Å; I216-F246 HydrophobicContact CB-CZ 4.12Å; I216-F246 HydrophobicContact CD1-CZ 4.24Å; I216-F246 HydrophobicContact CG2-CE1 3.76Å; I216-F246 HydrophobicContact CG2-CZ 3.79Å
217Y98.9Very high98.9Very high5 Ų537.5 Ų37.52%0.0217%0.174CC..Hα-helixtrans-63-42178.1-169.3-91.8000112K213 K214 E215 L219 A220 R221 I227 F246 M249 D250 V251 D252 R254 V255K213-Y217 WeakPolarHBondContact O-CB 3.19Å; K213-Y217 PolarHBondContact O-N 2.91Å; K214-Y217 PolarHBondContact O-N 3.45Å; E215-Y217 VanDerWaalsContact C-N 3.31Å; E215-Y217 PolarHBondContact O-N 3.45Å; Y217-L219 VanDerWaalsContact C-N 3.34Å; Y217-L219 PolarHBondContact O-N 3.04Å; Y217-A220 WeakPolarHBondContact O-CB 3.45Å; Y217-A220 PolarHBondContact O-N 2.87Å; Y217-R221 PolarHBondContact O-N 3.41Å; Y217-I227 HydrophobicContact CD2-CD1 3.88Å; Y217-F246 HydrophobicContact CD2-CD1 4.42Å; Y217-M249 HydrophobicContact CD2-CG 4.16Å; Y217-M249 WeakPolarHBondContact CE1-O 3.4Å; Y217-M249 HydrophobicContact CG-CG 4.24Å; Y217-M249 HydrophobicContact CG-SD 4.4Å; Y217-M249 VanDerWaalsContact CZ-O 3.31Å; Y217-D250 HydrophobicContact CE2-CB 4.26Å; Y217-D250 WeakPolarHBondContact CE2-OD1 3.5Å; Y217-D250 VanDerWaalsContact OH-C 3.31Å; Y217-D250 VanDerWaalsContact OH-CA 3.26Å; Y217-D250 WeakPolarHBondContact OH-CA 3.49Å; Y217-D250 PolarHBondContact OH-OD1 3.48Å; Y217-V251 HydrophobicContact CE1-CG2 4.42Å; Y217-V251 PolarHBondContact OH-N 2.86Å; Y217-V251 VanDerWaalsContact OH-N 3.11Å; Y217-D252 WeakPolarHBondContact OH-CB 3.48Å; Y217-D252 PolarHBondContact OH-N 3.46Å; Y217-R254 HydrophobicContact CE2-CG 3.89Å; Y217-V255 HydrophobicContact CD2-CG2 4.44Å; Y217-V255 HydrophobicContact CE2-CG2 3.96Å
218E98.9Very high98.9Very high100 Ų10036.8 Ų36.847%0.46717%0.169SC..Hα-helixtrans-65.4-36.3175.4-69.7-54.7142.200112.5K214 E215 R221 K222K214-E218 PolarHBondContact O-N 3.47Å; E215-E218 PolarHBondContact O-N 3.4Å; E218-R221 VanDerWaalsContact CD-NH1 3.28Å; E218-R221 PolarHBondContact O-N 3.02Å; E218-R221 IonicContact OE1-CZ 2.81Å; E218-R221 IonicContact OE1-NH1 3.03Å; E218-R221 PolarHBondContact OE1-NH1 2.72Å; E218-R221 IonicContact OE2-CZ 2.78Å; E218-R221 IonicContact OE2-NH1 3.45Å; E218-R221 PolarHBondContact OE2-NH1 3.19Å; E218-K222 WeakPolarHBondContact O-CB 3.37Å; E218-K222 PolarHBondContact O-N 3.13Å
219L98.9Very high98.9Very high11 Ų1136.6 Ų36.66%0.05817%0.168CC..Hα-helixtrans-65.2-40.8172-71.2168.9000111.6L171 R172 L175 E215 I216 Y217 R221 K222 Y223 F225L171-L219 HydrophobicContact CB-CD1 4.18Å; L171-L219 HydrophobicContact CD2-CB 4.31Å; L171-L219 HydrophobicContact CD2-CD1 3.83Å; L171-L219 HydrophobicContact CG-CD1 3.89Å; R172-L219 HydrophobicContact CB-CD1 4.19Å; R172-L219 HydrophobicContact CB-CD2 4.25Å; R172-L219 HydrophobicContact CG-CD2 4.1Å; L175-L219 HydrophobicContact CD1-CB 3.99Å; L175-L219 HydrophobicContact CD1-CD2 4.27Å; E215-L219 WeakPolarHBondContact O-CG 3.43Å; E215-L219 PolarHBondContact O-N 2.78Å; I216-L219 PolarHBondContact O-N 3.31Å; Y217-L219 VanDerWaalsContact C-N 3.34Å; Y217-L219 PolarHBondContact O-N 3.04Å; L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 2.67Å; L219-K222 PolarHBondContact O-N 3.31Å; L219-Y223 HydrophobicContact CD2-CD2 4.49Å; L219-Y223 HydrophobicContact CD2-CE2 4.13Å; L219-Y223 WeakPolarHBondContact O-CD2 3.3Å; L219-Y223 PolarHBondContact O-N 2.84Å; L219-F225 HydrophobicContact CB-CZ 4.48Å; L219-F225 WeakPolarHBondContact O-CE1 3.48Å
220A98.9Very high98.9Very high0 Ų035.1 Ų35.10%016%0.158CC..Hα-helixtrans-60.6-41.5174.700000112.3I216 Y217 D224 F225 I227 R254I216-A220 PolarHBondContact O-N 3.11Å; Y217-A220 WeakPolarHBondContact O-CB 3.45Å; Y217-A220 PolarHBondContact O-N 2.87Å; A220-D224 VanDerWaalsContact O-CA 3.24Å; A220-D224 WeakPolarHBondContact O-CA 3.38Å; A220-D224 PolarHBondContact O-N 2.65Å; A220-F225 VanDerWaalsContact CA-CE1 3.48Å; A220-F225 VanDerWaalsContact CA-CE2 3.49Å; A220-F225 HydrophobicContact CB-CD2 3.74Å; A220-F225 HydrophobicContact CB-CE1 4.31Å; A220-F225 HydrophobicContact CB-CE2 3.33Å; A220-F225 HydrophobicContact CB-CG 4.38Å; A220-F225 HydrophobicContact CB-CZ 3.67Å; A220-F225 PolarHBondContact O-N 2.83Å; A220-F225 VanDerWaalsContact O-N 3.07Å; A220-I227 HydrophobicContact CB-CD1 3.71Å; A220-I227 HydrophobicContact CB-CG1 3.83Å; A220-R254 PolarHBondContact O-NH1 3.13Å; A220-R254 VanDerWaalsContact O-NH1 3.08Å
221R98.9Very high98.9Very high83 Ų8334.1 Ų34.131%0.31315%0.151SC..Hα-helixtrans-62.9-50.5171.8179.6-178-68.7144.6-4.7112Y217 E218 L219 Y223 D224 D252Y217-R221 PolarHBondContact O-N 3.41Å; E218-R221 VanDerWaalsContact CD-NH1 3.28Å; E218-R221 PolarHBondContact O-N 3.02Å; E218-R221 IonicContact OE1-CZ 2.81Å; E218-R221 IonicContact OE1-NH1 3.03Å; E218-R221 PolarHBondContact OE1-NH1 2.72Å; E218-R221 IonicContact OE2-CZ 2.78Å; E218-R221 IonicContact OE2-NH1 3.45Å; E218-R221 PolarHBondContact OE2-NH1 3.19Å; L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 2.67Å; R221-Y223 PolarHBondContact O-N 2.93Å; R221-D224 PolarHBondContact O-N 2.84Å; R221-D252 WeakPolarHBondContact CG-OD2 3.16Å; R221-D252 IonicContact CZ-OD1 3.32Å; R221-D252 IonicContact CZ-OD2 3.16Å; R221-D252 IonicContact NE-OD1 3.37Å; R221-D252 PolarHBondContact NE-OD1 2.86Å; R221-D252 IonicContact NE-OD2 2.71Å; R221-D252 PolarHBondContact NE-OD2 3.37Å; R221-D252 IonicContact NH2-OD1 3.71Å; R221-D252 PolarHBondContact NH2-OD1 3.24Å; R221-D252 IonicContact NH2-OD2 2.92Å
222K98.8Very high98.9Very high117 Ų11729.9 Ų29.951%0.50913%0.133SC..Hα-helixtrans-59.9-43.1-175.1-179.7174.9176.5179.50112.3P180 E218 L219P180-K222 HydrophobicContact CB-CG 4.44Å; P180-K222 WeakPolarHBondContact CB-O 3.41Å; P180-K222 HydrophobicContact CG-CG 3.92Å; E218-K222 WeakPolarHBondContact O-CB 3.37Å; E218-K222 PolarHBondContact O-N 3.13Å; L219-K222 PolarHBondContact O-N 3.31Å
223Y98.9Very high98.9Very high18 Ų1828.4 Ų28.47%0.07113%0.128CC..Hα-helixtrans-100.56-177.1-68-85.2000113.8L175 W178 P180 L219 R221L175-Y223 HydrophobicContact CB-CD1 4.33Å; L175-Y223 HydrophobicContact CB-CD2 3.9Å; L175-Y223 HydrophobicContact CB-CE1 4.13Å; L175-Y223 HydrophobicContact CB-CE2 3.63Å; L175-Y223 HydrophobicContact CB-CG 4.22Å; L175-Y223 HydrophobicContact CD1-CD2 3.69Å; L175-Y223 HydrophobicContact CD1-CE2 4.02Å; L175-Y223 HydrophobicContact CD1-CG 4.3Å; L175-Y223 HydrophobicContact CD2-CD2 4.3Å; L175-Y223 HydrophobicContact CD2-CG 4.09Å; L175-Y223 HydrophobicContact CG-CD2 4.19Å; L175-Y223 HydrophobicContact CG-CE2 4.37Å; L175-Y223 HydrophobicContact CG-CG 4.44Å; L175-Y223 WeakPolarHBondContact O-CE1 3.2Å; W178-Y223 WeakPolarHBondContact O-CE1 3.34Å; P180-Y223 HydrophobicContact CG-CE1 4.27Å; L219-Y223 HydrophobicContact CD2-CD2 4.49Å; L219-Y223 HydrophobicContact CD2-CE2 4.13Å; L219-Y223 WeakPolarHBondContact O-CD2 3.3Å; L219-Y223 PolarHBondContact O-N 2.84Å; R221-Y223 PolarHBondContact O-N 2.93Å
224D98.9Very high98.9Very high30 Ų3028.9 Ų28.916%0.1613%0.13CC..THydrogen-bonded Turntrans47.960.8-179.8-166.636.6000114.3M1 R5 F6 A220 R221 R254M1-D224 VanDerWaalsContact SD-OD1 3.36Å; R5-D224 PolarHBondContact NH1-O 3.12Å; F6-D224 WeakPolarHBondContact CZ-O 3.37Å; A220-D224 VanDerWaalsContact O-CA 3.24Å; A220-D224 WeakPolarHBondContact O-CA 3.38Å; A220-D224 PolarHBondContact O-N 2.65Å; R221-D224 PolarHBondContact O-N 2.84Å; D224-R254 IonicContact OD1-CZ 2.97Å; D224-R254 IonicContact OD1-NH1 3.04Å; D224-R254 PolarHBondContact OD1-NH1 3.35Å; D224-R254 IonicContact OD1-NH2 2.82Å; D224-R254 PolarHBondContact OD1-NH2 2.89Å
225F98.9Very high98.9Very high0 Ų023.9 Ų23.90%011%0.108CC..  trans-115.7157.5169.460.2-100.9000111.4L136 L171 L175 L194 L219 A220 I227 R254L136-F225 HydrophobicContact CD1-CE1 4.47Å; L136-F225 HydrophobicContact CD1-CZ 4.47Å; L171-F225 HydrophobicContact CD2-CZ 4.43Å; L175-F225 HydrophobicContact CD1-CE1 3.69Å; L175-F225 HydrophobicContact CD1-CZ 4.19Å; L175-F225 HydrophobicContact CD2-CD1 4.3Å; L175-F225 HydrophobicContact CD2-CE1 3.9Å; L175-F225 HydrophobicContact CG-CE1 4.46Å; L194-F225 HydrophobicContact CB-CD2 4.03Å; L194-F225 HydrophobicContact CB-CE2 3.68Å; L194-F225 HydrophobicContact CD2-CE2 4.38Å; L219-F225 HydrophobicContact CB-CZ 4.48Å; L219-F225 WeakPolarHBondContact O-CE1 3.48Å; A220-F225 VanDerWaalsContact CA-CE1 3.48Å; A220-F225 VanDerWaalsContact CA-CE2 3.49Å; A220-F225 HydrophobicContact CB-CD2 3.74Å; A220-F225 HydrophobicContact CB-CE1 4.31Å; A220-F225 HydrophobicContact CB-CE2 3.33Å; A220-F225 HydrophobicContact CB-CG 4.38Å; A220-F225 HydrophobicContact CB-CZ 3.67Å; A220-F225 PolarHBondContact O-N 2.83Å; A220-F225 VanDerWaalsContact O-N 3.07Å; F225-I227 HydrophobicContact CE2-CG1 4.42Å; F225-R254 PolarHBondContact O-NH1 2.97Å
226L99Very high98.9Very high0 Ų020.1 Ų20.10%09%0.09CC..EExtended strand (participates in β ladder)trans-79.4154.9173.9-61.1177000111M1 F6 I128 K192 F193 L194 R254 I256 L280M1-L226 HydrophobicContact CE-CD2 4Å; F6-L226 HydrophobicContact CB-CD1 3.75Å; F6-L226 HydrophobicContact CB-CG 4.47Å; F6-L226 HydrophobicContact CD1-CD1 3.79Å; F6-L226 HydrophobicContact CD1-CG 3.67Å; F6-L226 HydrophobicContact CD2-CD1 4.29Å; F6-L226 HydrophobicContact CD2-CD2 4.19Å; F6-L226 HydrophobicContact CD2-CG 4.19Å; F6-L226 HydrophobicContact CE1-CD1 4.41Å; F6-L226 HydrophobicContact CE1-CD2 4.44Å; F6-L226 HydrophobicContact CE1-CG 3.78Å; F6-L226 HydrophobicContact CE2-CD2 4.16Å; F6-L226 HydrophobicContact CE2-CG 4.31Å; F6-L226 HydrophobicContact CG-CD1 3.7Å; F6-L226 HydrophobicContact CG-CD2 4.36Å; F6-L226 HydrophobicContact CG-CG 3.86Å; F6-L226 HydrophobicContact CZ-CD2 4.27Å; F6-L226 HydrophobicContact CZ-CG 4.09Å; I128-L226 HydrophobicContact CD1-CD1 3.99Å; K192-L226 PolarHBondContact O-N 3.24Å; F193-L226 CarbonylContact C-O 3.51Å; F193-L226 WeakPolarHBondContact CA-O 3.49Å; F193-L226 HydrophobicContact CB-CB 3.96Å; F193-L226 VanDerWaalsContact CB-O 3.29Å; F193-L226 WeakPolarHBondContact CB-O 3.28Å; L194-L226 PolarHBondContact N-O 3.22Å; L226-R254 WeakPolarHBondContact CA-O 3.21Å; L226-R254 HydrophobicContact CD2-CB 4.06Å; L226-R254 WeakPolarHBondContact CD2-O 3.3Å; L226-I256 HydrophobicContact CD1-CD1 4.32Å; L226-L280 HydrophobicContact CD1-CD1 3.84Å; L226-L280 HydrophobicContact CD2-CD1 4.1Å
227I99Very high98.8Very high0 Ų020.8 Ų20.80%09%0.094CC..EExtended strand (participates in β ladder)trans-109.7121.4167.4-59.8171.3000107.8L194 I216 Y217 A220 F225 F246 R254 V255 I256L194-I227 CarbonylContact O-C 3.59Å; L194-I227 WeakPolarHBondContact O-CA 3.43Å; I216-I227 HydrophobicContact CG2-CD1 4.41Å; Y217-I227 HydrophobicContact CD2-CD1 3.88Å; A220-I227 HydrophobicContact CB-CD1 3.71Å; A220-I227 HydrophobicContact CB-CG1 3.83Å; F225-I227 HydrophobicContact CE2-CG1 4.42Å; I227-F246 HydrophobicContact CD1-CD1 3.71Å; I227-F246 HydrophobicContact CD1-CE1 3.92Å; I227-F246 HydrophobicContact CD1-CG 4.31Å; I227-F246 HydrophobicContact CG2-CB 4.32Å; I227-F246 HydrophobicContact CG2-CD1 4.34Å; I227-F246 HydrophobicContact CG2-CD2 3.93Å; I227-F246 HydrophobicContact CG2-CE2 4.26Å; I227-F246 HydrophobicContact CG2-CG 3.96Å; I227-R254 PolarHBondContact N-O 3.17Å; I227-V255 HydrophobicContact CB-CG2 4.24Å; I227-V255 CarbonylContact O-C 3.55Å; I227-V255 WeakPolarHBondContact O-CA 3.47Å; I227-I256 PolarHBondContact O-N 2.93Å
228I99Very high98.8Very high0 Ų022.2 Ų22.20%010%0.1CC..EExtended strand (participates in β ladder)trans-97.2101.5171.3-55.8177.9000107L121 V124 F125 I128 F193 L194 Y195 T196 D230 I256L121-I228 HydrophobicContact CD2-CG2 3.52Å; V124-I228 HydrophobicContact CG1-CD1 3.7Å; V124-I228 HydrophobicContact CG1-CG1 4.28Å; F125-I228 HydrophobicContact CD1-CD1 3.9Å; F125-I228 HydrophobicContact CE1-CD1 3.68Å; F125-I228 HydrophobicContact CE1-CG2 4.38Å; I128-I228 HydrophobicContact CD1-CD1 4.11Å; F193-I228 HydrophobicContact CB-CD1 4.16Å; F193-I228 HydrophobicContact CB-CG1 4.2Å; F193-I228 HydrophobicContact CD1-CD1 3.89Å; F193-I228 HydrophobicContact CD2-CD1 3.55Å; F193-I228 HydrophobicContact CD2-CG1 4.1Å; F193-I228 HydrophobicContact CE1-CD1 4.1Å; F193-I228 HydrophobicContact CE2-CD1 3.81Å; F193-I228 HydrophobicContact CG-CD1 3.59Å; F193-I228 HydrophobicContact CG-CG1 4.14Å; F193-I228 HydrophobicContact CZ-CD1 4.07Å; L194-I228 PolarHBondContact O-N 3.24Å; Y195-I228 HydrophobicContact CD2-CB 4.31Å; Y195-I228 HydrophobicContact CD2-CG2 4Å; T196-I228 PolarHBondContact N-O 2.92Å; I228-D230 PolarHBondContact O-N 3.39Å; I228-I256 CarbonylContact C-O 3.58Å; I228-I256 WeakPolarHBondContact CA-O 3.22Å
229E98.9Very high98.4Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-90.894.1-179.2-172.6-179.4-136.100109.3P198 D231 T245 F246 V255 I256 R257 A258P198-E229 HydrophobicContact CG-CG 3.76Å; E229-D231 HydrophobicContact CG-CB 4.38Å; E229-T245 WeakPolarHBondContact OE1-CA 3.22Å; E229-T245 WeakPolarHBondContact OE1-CB 3.42Å; E229-F246 HydrophobicContact CB-CD2 4.43Å; E229-F246 HydrophobicContact CG-CD2 4.1Å; E229-F246 PolarHBondContact OE1-N 2.93Å; E229-V255 HydrophobicContact CB-CG1 4.16Å; E229-I256 PolarHBondContact N-O 3.25Å; E229-R257 HydrophobicContact CB-CB 4.39Å; E229-R257 HydrophobicContact CB-CG 4.44Å; E229-R257 CarbonylContact O-C 3.6Å; E229-R257 WeakPolarHBondContact O-CA 3.42Å; E229-R257 IonicContact OE1-NH1 2.91Å; E229-R257 WeakPolarHBondContact OE2-CD 3.3Å; E229-R257 IonicContact OE2-CZ 3.9Å; E229-R257 IonicContact OE2-NH1 2.75Å; E229-R257 PolarHBondContact OE2-NH1 3.31Å; E229-A258 PolarHBondContact O-N 3.35Å
230D98.9Very high97.9Very high7 Ų731 Ų314%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-90.2100.5176.4178.721.2000110.1L121 Y195 T196 V197 P198 I228 P232L121-D230 HydrophobicContact CD1-CB 3.98Å; L121-D230 WeakPolarHBondContact CD1-OD1 3.48Å; L121-D230 WeakPolarHBondContact CD1-OD2 3.41Å; L121-D230 HydrophobicContact CD2-CB 4.16Å; Y195-D230 HydrophobicContact CD2-CB 4.34Å; Y195-D230 HydrophobicContact CE2-CB 3.44Å; Y195-D230 VanDerWaalsContact CE2-CB 3.44Å; Y195-D230 PolarHBondContact OH-OD2 3.03Å; T196-D230 PolarHBondContact O-N 2.91Å; T196-D230 VanDerWaalsContact O-N 3.09Å; V197-D230 VanDerWaalsContact CA-O 3.28Å; V197-D230 WeakPolarHBondContact CA-O 3.36Å; V197-D230 WeakPolarHBondContact CG1-O 3.2Å; V197-D230 HydrophobicContact CG2-CB 4.24Å; P198-D230 WeakPolarHBondContact CD-O 3.45Å; I228-D230 PolarHBondContact O-N 3.39Å; D230-P232 WeakPolarHBondContact O-CD 3.18Å; D230-P232 WeakPolarHBondContact OD1-CD 3.49Å
231D98.8Very high97.6Very high2 Ų239 Ų391%0.01118%0.176CC..  trans-122.257.3-166.3-157.13.6000112.8P198 S199 E229 Y233 Y234 R257 A258P198-D231 HydrophobicContact CG-CB 4.06Å; S199-D231 WeakPolarHBondContact CB-OD1 3.49Å; S199-D231 PolarHBondContact OG-OD1 2.87Å; E229-D231 HydrophobicContact CG-CB 4.38Å; D231-Y233 PolarHBondContact O-N 2.84Å; D231-Y233 VanDerWaalsContact O-N 3.13Å; D231-Y234 WeakPolarHBondContact O-CB 3.41Å; D231-Y234 PolarHBondContact O-N 2.81Å; D231-Y234 PolarHBondContact OD1-N 2.98Å; D231-Y234 WeakPolarHBondContact OD2-CB 3.22Å; D231-Y234 VanDerWaalsContact OD2-CD2 3.23Å; D231-Y234 WeakPolarHBondContact OD2-CD2 3.26Å; D231-R257 IonicContact OD2-CZ 3.26Å; D231-R257 VanDerWaalsContact OD2-CZ 3.32Å; D231-R257 IonicContact OD2-NH1 3.3Å; D231-R257 PolarHBondContact OD2-NH1 3.3Å; D231-R257 IonicContact OD2-NH2 2.76Å; D231-R257 PolarHBondContact OD2-NH2 3.02Å; D231-A258 PolarHBondContact N-O 3.13Å
232P98.7Very high97.5Very high21 Ų2138.8 Ų38.814%0.13618%0.175CC..THydrogen-bonded Turntrans-70.3-10.8-175.932.2-35.6000113D230D230-P232 WeakPolarHBondContact O-CD 3.18Å; D230-P232 WeakPolarHBondContact OD1-CD 3.49Å
233Y98.8Very high97.4Very high9 Ų934.7 Ų34.74%0.03516%0.16CC..THydrogen-bonded Turntrans-110.111.1178.6-56.1-72.2000112.8V197 S199 G200 N202 D231 F235 L236 K263 M354 F355V197-Y233 HydrophobicContact CG1-CD2 4.33Å; S199-Y233 WeakPolarHBondContact O-CB 3.28Å; G200-Y233 WeakPolarHBondContact O-CD2 3.43Å; N202-Y233 HydrophobicContact CB-CE2 4.21Å; D231-Y233 PolarHBondContact O-N 2.84Å; D231-Y233 VanDerWaalsContact O-N 3.13Å; Y233-F235 PolarHBondContact O-N 3.49Å; Y233-L236 HydrophobicContact CD1-CD1 4.01Å; Y233-L236 CarbonylContact O-C 3.41Å; Y233-L236 WeakPolarHBondContact O-CA 3.26Å; Y233-L236 PolarHBondContact O-N 2.74Å; Y233-K263 HydrophobicContact CD1-CG 4.28Å; Y233-K263 HydrophobicContact CE1-CD 4.39Å; Y233-K263 HydrophobicContact CE1-CG 4.06Å; Y233-M354 HydrophobicContact CE1-CE 3.9Å; Y233-M354 HydrophobicContact CE1-CG 4.12Å; Y233-M354 HydrophobicContact CE1-SD 4.5Å; Y233-F355 VanDerWaalsContact OH-CE2 3.28Å; Y233-F355 WeakPolarHBondContact OH-CE2 3.42Å
234Y98.8Very high97.4Very high10 Ų1036.7 Ų36.74%0.03918%0.175CC..G310 helixtrans-51.8-41.6178.5-179.3-104.3000112.8L94 H95 D231 L236 Q237 R242 T245 R257L94-Y234 HydrophobicContact CD1-CE1 4.09Å; H95-Y234 AromaticContact CE1-CE1 3.9Å; H95-Y234 AromaticContact CE1-CE2 3.96Å; H95-Y234 AromaticContact CE1-CZ 3.55Å; D231-Y234 WeakPolarHBondContact O-CB 3.41Å; D231-Y234 PolarHBondContact O-N 2.81Å; D231-Y234 PolarHBondContact OD1-N 2.98Å; D231-Y234 WeakPolarHBondContact OD2-CB 3.22Å; D231-Y234 VanDerWaalsContact OD2-CD2 3.23Å; D231-Y234 WeakPolarHBondContact OD2-CD2 3.26Å; Y234-L236 VanDerWaalsContact C-N 3.27Å; Y234-L236 PolarHBondContact O-N 3.36Å; Y234-Q237 PolarHBondContact O-NE2 3.42Å; Y234-R242 HydrophobicContact CE2-CB 4.31Å; Y234-R242 WeakPolarHBondContact O-CD 3.28Å; Y234-R242 PolarHBondContact OH-NE 3.13Å; Y234-T245 HydrophobicContact CD2-CG2 4.01Å; Y234-T245 HydrophobicContact CE2-CG2 3.56Å; Y234-R257 VanDerWaalsContact CG-NH2 3.29Å
235F98.7Very high97.4Very high8 Ų835.3 Ų35.34%0.03517%0.168CC..G310 helixtrans-86.714.1178.3-60.1-67.6000113.7L90 L94 Y233 I264 F315 V319 T323L90-F235 HydrophobicContact CD2-CZ 4.22Å; L94-F235 HydrophobicContact CD1-CE1 3.69Å; L94-F235 HydrophobicContact CD1-CZ 3.77Å; Y233-F235 PolarHBondContact O-N 3.49Å; F235-I264 HydrophobicContact CB-CD1 3.81Å; F235-I264 HydrophobicContact CB-CG2 4.08Å; F235-I264 HydrophobicContact CD2-CD1 3.78Å; F235-I264 HydrophobicContact CG-CD1 3.89Å; F235-F315 HydrophobicContact CD1-CE1 4.28Å; F235-F315 HydrophobicContact CD1-CZ 4.17Å; F235-F315 HydrophobicContact CD2-CZ 4.45Å; F235-F315 AromaticContact CE1-CE1 3.72Å; F235-F315 HydrophobicContact CE1-CE1 3.72Å; F235-F315 AromaticContact CE1-CZ 3.86Å; F235-F315 HydrophobicContact CE1-CZ 3.86Å; F235-F315 HydrophobicContact CE2-CZ 4.16Å; F235-F315 HydrophobicContact CG-CZ 4.47Å; F235-F315 AromaticContact CZ-CE1 3.97Å; F235-F315 HydrophobicContact CZ-CE1 3.97Å; F235-F315 AromaticContact CZ-CZ 3.86Å; F235-F315 HydrophobicContact CZ-CZ 3.86Å; F235-V319 HydrophobicContact CB-CG1 3.93Å; F235-V319 HydrophobicContact CB-CG2 4.06Å; F235-V319 HydrophobicContact CD1-CG1 4.19Å; F235-V319 HydrophobicContact CD1-CG2 3.95Å; F235-V319 HydrophobicContact CG-CG2 4.18Å; F235-V319 WeakPolarHBondContact O-CG1 3.1Å; F235-T323 PolarHBondContact O-OG1 3.46Å
236L98.3Very high97.4Very high1 Ų135.3 Ų35.31%0.00517%0.168CC..G310 helixtrans-128.234.6177-70179.1000111.2Y233 Y234 K263 I264 V322 Y326 A352 G353Y233-L236 HydrophobicContact CD1-CD1 4.01Å; Y233-L236 CarbonylContact O-C 3.41Å; Y233-L236 WeakPolarHBondContact O-CA 3.26Å; Y233-L236 PolarHBondContact O-N 2.74Å; Y234-L236 VanDerWaalsContact C-N 3.27Å; Y234-L236 PolarHBondContact O-N 3.36Å; L236-K263 HydrophobicContact CD1-CB 3.6Å; L236-K263 HydrophobicContact CD1-CG 4.45Å; L236-I264 HydrophobicContact CD2-CG2 3.91Å; L236-I264 HydrophobicContact CG-CG2 4.01Å; L236-V322 HydrophobicContact CD2-CG1 3.68Å; L236-Y326 HydrophobicContact CD1-CE2 4.46Å; L236-Y326 HydrophobicContact CD2-CD2 3.71Å; L236-Y326 HydrophobicContact CD2-CE2 4.11Å; L236-Y326 HydrophobicContact CD2-CG 4.38Å; L236-A352 CarbonylContact O-C 3.55Å; L236-A352 WeakPolarHBondContact O-CA 3.28Å; L236-A352 WeakPolarHBondContact O-CB 3.48Å; L236-G353 PolarHBondContact O-N 3.02Å
237Q98.6Very high97.4Very high15 Ų1535.3 Ų35.37%0.0717%0.168CC..BIsolated β-bridgetrans-84.1128.5174.9-71176.367.400110.3Y234 R242 T323 A352Y234-Q237 PolarHBondContact O-NE2 3.42Å; Q237-R242 HydrophobicContact CB-CG 4.3Å; Q237-T323 VanDerWaalsContact O-CG2 3.29Å; Q237-T323 WeakPolarHBondContact O-CG2 3.46Å; Q237-A352 HydrophobicContact CB-CB 4.33Å; Q237-A352 HydrophobicContact CG-CB 3.89Å
238F97.7Very high97.4Very high35 Ų3536.9 Ų36.915%0.15418%0.179CC..  trans-80.8-19.1-178.3-53.8-51.9000113.3T323 K330 P350 A351 G353 F402F238-T323 HydrophobicContact CD1-CG2 4.26Å; F238-K330 HydrophobicContact CD2-CD 3.62Å; F238-K330 HydrophobicContact CD2-CG 4.48Å; F238-K330 HydrophobicContact CE2-CB 4.3Å; F238-K330 HydrophobicContact CE2-CD 3.67Å; F238-K330 HydrophobicContact CE2-CG 4.02Å; F238-K330 HydrophobicContact CG-CD 4.25Å; F238-K330 HydrophobicContact CZ-CB 4.21Å; F238-K330 HydrophobicContact CZ-CD 4.33Å; F238-K330 HydrophobicContact CZ-CG 4.44Å; F238-P350 VanDerWaalsContact CD2-O 3.29Å; F238-P350 WeakPolarHBondContact CD2-O 3.13Å; F238-P350 HydrophobicContact CE2-CB 4.35Å; F238-A351 WeakPolarHBondContact CD2-O 3.44Å; F238-A351 PolarHBondContact N-O 2.94Å; F238-A351 VanDerWaalsContact N-O 3.13Å; F238-G353 WeakPolarHBondContact CZ-O 3.13Å; F238-F402 HydrophobicContact CE2-CZ 4.17Å; F238-F402 AromaticContact CZ-CE2 3.94Å; F238-F402 HydrophobicContact CZ-CE2 3.94Å; F238-F402 AromaticContact CZ-CZ 3.86Å; F238-F402 HydrophobicContact CZ-CZ 3.86Å
239N91.6Very high97.4Very high103 Ų10338.6 Ų38.655%0.55119%0.187SC*.SBendtrans-70.6135.4171.7-74-23.5000110.2F241N239-F241 PolarHBondContact O-N 3.45Å; N239-F241 VanDerWaalsContact O-N 3.15Å
240K87.3Confident97.4Very high193 Ų19338.6 Ų38.684%0.83919%0.188SC*.SBendtrans-55-35178.7-172.8174.5-176.3174.50113.2
241F93.1Very high97.4Very high168 Ų16841.1 Ų41.174%0.73720%0.203SC*.SBendtrans-105.8123.2175.8-58.9-70000109.9N239N239-F241 PolarHBondContact O-N 3.45Å; N239-F241 VanDerWaalsContact O-N 3.15Å
242R96.4Very high97.4Very high77 Ų7742.7 Ų42.729%0.29121%0.212SC..PPolyproline II helixtrans-72.6136.7174.4-68.7-171.9-74.1-84.51110.4Y234 Q237Y234-R242 HydrophobicContact CE2-CB 4.31Å; Y234-R242 WeakPolarHBondContact O-CD 3.28Å; Y234-R242 PolarHBondContact OH-NE 3.13Å; Q237-R242 HydrophobicContact CB-CG 4.3Å
243V97.8Very high97.4Very high31 Ų3141.7 Ų41.719%0.18821%0.205CC..PPolyproline II helixtrans-65.8137.6176.6-177.80000109.3K213K213-V243 HydrophobicContact CD-CG1 4.27Å
244P98.6Very high97.4Very high61 Ų6141.7 Ų41.740%0.39621%0.205SC..PPolyproline II helixtrans-50.6143172.2-28.236000112.2K213 M249K213-P244 WeakPolarHBondContact CD-O 3.02Å; K213-P244 PolarHBondContact NZ-O 3.43Å; P244-M249 HydrophobicContact CB-CE 4.38Å
245T98.9Very high97.4Very high1 Ų141.2 Ų41.21%0.00620%0.203CC..PPolyproline II helixtrans-88.3160.2-177.655.70000111.1H95 E229 Y234 L247 S248H95-T245 PolarHBondContact ND1-OG1 3.49Å; E229-T245 WeakPolarHBondContact OE1-CA 3.22Å; E229-T245 WeakPolarHBondContact OE1-CB 3.42Å; Y234-T245 HydrophobicContact CD2-CG2 4.01Å; Y234-T245 HydrophobicContact CE2-CG2 3.56Å; T245-L247 PolarHBondContact O-N 3.25Å; T245-S248 PolarHBondContact N-OG 3.21Å; T245-S248 PolarHBondContact O-N 3.31Å; T245-S248 VanDerWaalsContact O-N 3.12Å; T245-S248 PolarHBondContact O-OG 3.06Å; T245-S248 PolarHBondContact OG1-N 3.05Å; T245-S248 VanDerWaalsContact OG1-N 3.15Å
246F98.9Very high97.4Very high0 Ų041 Ų410%020%0.202CC..THydrogen-bonded Turntrans-58.2-38.1169.2-74.6-71.2000110.7T196 L208 K213 I216 Y217 I227 E229 S248 M249 D250 V255T196-F246 HydrophobicContact CG2-CE2 3.98Å; L208-F246 HydrophobicContact CD1-CE2 3.99Å; L208-F246 HydrophobicContact CD1-CZ 4.14Å; K213-F246 HydrophobicContact CB-CD1 4.27Å; K213-F246 HydrophobicContact CB-CE1 3.82Å; K213-F246 HydrophobicContact CB-CZ 4.03Å; K213-F246 HydrophobicContact CD-CD2 4.45Å; K213-F246 HydrophobicContact CD-CE2 4.34Å; K213-F246 HydrophobicContact CG-CD2 4.48Å; K213-F246 HydrophobicContact CG-CE1 4.03Å; K213-F246 HydrophobicContact CG-CE2 3.96Å; K213-F246 HydrophobicContact CG-CZ 3.72Å; K213-F246 VanDerWaalsContact O-CE1 3.28Å; K213-F246 WeakPolarHBondContact O-CE1 3.41Å; I216-F246 HydrophobicContact CB-CE1 3.97Å; I216-F246 HydrophobicContact CB-CZ 4.12Å; I216-F246 HydrophobicContact CD1-CZ 4.24Å; I216-F246 HydrophobicContact CG2-CE1 3.76Å; I216-F246 HydrophobicContact CG2-CZ 3.79Å; Y217-F246 HydrophobicContact CD2-CD1 4.42Å; I227-F246 HydrophobicContact CD1-CD1 3.71Å; I227-F246 HydrophobicContact CD1-CE1 3.92Å; I227-F246 HydrophobicContact CD1-CG 4.31Å; I227-F246 HydrophobicContact CG2-CB 4.32Å; I227-F246 HydrophobicContact CG2-CD1 4.34Å; I227-F246 HydrophobicContact CG2-CD2 3.93Å; I227-F246 HydrophobicContact CG2-CE2 4.26Å; I227-F246 HydrophobicContact CG2-CG 3.96Å; E229-F246 HydrophobicContact CB-CD2 4.43Å; E229-F246 HydrophobicContact CG-CD2 4.1Å; E229-F246 PolarHBondContact OE1-N 2.93Å; F246-S248 VanDerWaalsContact C-N 3.27Å; F246-S248 PolarHBondContact O-N 3.35Å; F246-M249 CarbonylContact O-C 3.5Å; F246-M249 VanDerWaalsContact O-CG 3.26Å; F246-M249 WeakPolarHBondContact O-CG 3.46Å; F246-M249 PolarHBondContact O-N 3.5Å; F246-M249 VanDerWaalsContact O-N 3.13Å; F246-D250 PolarHBondContact O-N 2.85Å; F246-V255 HydrophobicContact CB-CG1 3.98Å; F246-V255 HydrophobicContact CB-CG2 3.9Å
247L98.9Very high97.5Very high0 Ų040.9 Ų40.90%020%0.202CC..G310 helixtrans-57.8-38175.5-178.765.1000112.7H95 P97 T245 M249 D250 V255 R257 T275H95-L247 HydrophobicContact CB-CD2 4.33Å; P97-L247 HydrophobicContact CB-CD1 4.12Å; P97-L247 HydrophobicContact CB-CG 4.13Å; P97-L247 HydrophobicContact CG-CD1 4.22Å; P97-L247 HydrophobicContact CG-CD2 3.98Å; P97-L247 HydrophobicContact CG-CG 3.81Å; T245-L247 PolarHBondContact O-N 3.25Å; L247-M249 PolarHBondContact O-N 3.44Å; L247-D250 WeakPolarHBondContact O-CB 3.49Å; L247-D250 PolarHBondContact O-N 3.33Å; L247-V255 HydrophobicContact CB-CG1 4.31Å; L247-R257 HydrophobicContact CB-CB 4.49Å; L247-R257 HydrophobicContact CD2-CB 4.35Å; L247-T275 HydrophobicContact CD1-CG2 4.22Å; L247-T275 HydrophobicContact CD2-CG2 3.71Å
248S98.9Very high97.5Very high33 Ų3340.2 Ų40.223%0.23120%0.199CC..G310 helixtrans-67.5-19.6179.670.90000114.4H95 T245 F246H95-S248 WeakPolarHBondContact O-CA 3.38Å; H95-S248 WeakPolarHBondContact O-CB 3.42Å; T245-S248 PolarHBondContact N-OG 3.21Å; T245-S248 PolarHBondContact O-N 3.31Å; T245-S248 VanDerWaalsContact O-N 3.12Å; T245-S248 PolarHBondContact O-OG 3.06Å; T245-S248 PolarHBondContact OG1-N 3.05Å; T245-S248 VanDerWaalsContact OG1-N 3.15Å; F246-S248 VanDerWaalsContact C-N 3.27Å; F246-S248 PolarHBondContact O-N 3.35Å
249M98.8Very high97.5Very high35 Ų3538.6 Ų38.617%0.17219%0.191CC..G310 helixtrans-110.611.1177.860.8-173.175.700112.6K213 K214 Y217 P244 F246 L247 V251K213-M249 HydrophobicContact CB-CE 4.01Å; K213-M249 HydrophobicContact CB-SD 4.29Å; K214-M249 HydrophobicContact CG-CE 4.34Å; K214-M249 HydrophobicContact CG-SD 4.29Å; Y217-M249 HydrophobicContact CD2-CG 4.16Å; Y217-M249 WeakPolarHBondContact CE1-O 3.4Å; Y217-M249 HydrophobicContact CG-CG 4.24Å; Y217-M249 HydrophobicContact CG-SD 4.4Å; Y217-M249 VanDerWaalsContact CZ-O 3.31Å; P244-M249 HydrophobicContact CB-CE 4.38Å; F246-M249 CarbonylContact O-C 3.5Å; F246-M249 VanDerWaalsContact O-CG 3.26Å; F246-M249 WeakPolarHBondContact O-CG 3.46Å; F246-M249 PolarHBondContact O-N 3.5Å; F246-M249 VanDerWaalsContact O-N 3.13Å; L247-M249 PolarHBondContact O-N 3.44Å; M249-V251 VanDerWaalsContact C-N 3.28Å; M249-V251 PolarHBondContact O-N 3.02Å
250D98.9Very high97.9Very high1 Ų134 Ų341%0.00517%0.167CC..  trans-79.665-172-169.225000114.1T99 Y217 F246 L247 D252 G253 R254 V255T99-D250 WeakPolarHBondContact CG2-O 3.33Å; Y217-D250 HydrophobicContact CE2-CB 4.26Å; Y217-D250 WeakPolarHBondContact CE2-OD1 3.5Å; Y217-D250 VanDerWaalsContact OH-C 3.31Å; Y217-D250 VanDerWaalsContact OH-CA 3.26Å; Y217-D250 WeakPolarHBondContact OH-CA 3.49Å; Y217-D250 PolarHBondContact OH-OD1 3.48Å; F246-D250 PolarHBondContact O-N 2.85Å; L247-D250 WeakPolarHBondContact O-CB 3.49Å; L247-D250 PolarHBondContact O-N 3.33Å; D250-D252 PolarHBondContact O-N 2.92Å; D250-G253 PolarHBondContact O-N 3.47Å; D250-G253 PolarHBondContact OD1-N 3.48Å; D250-G253 VanDerWaalsContact OD1-N 3.13Å; D250-G253 WeakPolarHBondContact OD2-CA 3.45Å; D250-R254 VanDerWaalsContact CG-N 3.29Å; D250-R254 WeakPolarHBondContact OD1-CG 3.13Å; D250-R254 PolarHBondContact OD1-N 3.37Å; D250-R254 PolarHBondContact OD2-N 3.35Å; D250-V255 HydrophobicContact CB-CB 3.99Å; D250-V255 HydrophobicContact CB-CG2 3.66Å; D250-V255 VanDerWaalsContact CG-CG2 3.46Å; D250-V255 WeakPolarHBondContact OD2-CB 3.38Å; D250-V255 PolarHBondContact OD2-N 3.19Å
251V98.8Very high98.4Very high60 Ų6024.8 Ų24.836%0.36413%0.127SC..THydrogen-bonded Turntrans-70.5-17-179.4-560000113.8P98 Y102 Y217 M249P98-V251 HydrophobicContact CB-CB 4.32Å; P98-V251 HydrophobicContact CB-CG1 3.85Å; P98-V251 HydrophobicContact CG-CB 4.45Å; P98-V251 HydrophobicContact CG-CG1 3.64Å; Y102-V251 VanDerWaalsContact CE2-O 3.3Å; Y102-V251 WeakPolarHBondContact CE2-O 3.15Å; Y102-V251 PolarHBondContact OH-O 3.41Å; Y217-V251 HydrophobicContact CE1-CG2 4.42Å; Y217-V251 PolarHBondContact OH-N 2.86Å; Y217-V251 VanDerWaalsContact OH-N 3.11Å; M249-V251 VanDerWaalsContact C-N 3.28Å; M249-V251 PolarHBondContact O-N 3.02Å
252D98.8Very high98.6Very high35 Ų3517.6 Ų17.619%0.18710%0.098CC..THydrogen-bonded Turntrans-90.9-18179.4-62.8-2.5000113.1M1 Y217 R221 D250 R254M1-D252 WeakPolarHBondContact CG-O 3.25Å; Y217-D252 WeakPolarHBondContact OH-CB 3.48Å; Y217-D252 PolarHBondContact OH-N 3.46Å; R221-D252 WeakPolarHBondContact CG-OD2 3.16Å; R221-D252 IonicContact CZ-OD1 3.32Å; R221-D252 IonicContact CZ-OD2 3.16Å; R221-D252 IonicContact NE-OD1 3.37Å; R221-D252 PolarHBondContact NE-OD1 2.86Å; R221-D252 IonicContact NE-OD2 2.71Å; R221-D252 PolarHBondContact NE-OD2 3.37Å; R221-D252 IonicContact NH2-OD1 3.71Å; R221-D252 PolarHBondContact NH2-OD1 3.24Å; R221-D252 IonicContact NH2-OD2 2.92Å; D250-D252 PolarHBondContact O-N 2.92Å; D252-R254 HydrophobicContact CB-CB 4.49Å; D252-R254 HydrophobicContact CB-CG 4.26Å; D252-R254 IonicContact OD2-CZ 2.83Å; D252-R254 IonicContact OD2-NE 3.45Å; D252-R254 PolarHBondContact OD2-NE 3.27Å; D252-R254 IonicContact OD2-NH2 3.82Å; D252-R254 PolarHBondContact OD2-NH2 3.37Å
253G98.8Very high98.7Very high0 Ų017.1 Ų17.10%010%0.098CC..SBendtrans68.950.3-168.700000112.1Y3 D250 P277Y3-G253 VanDerWaalsContact CE1-O 3.22Å; Y3-G253 WeakPolarHBondContact CE1-O 3.44Å; Y3-G253 PolarHBondContact OH-O 2.62Å; D250-G253 PolarHBondContact O-N 3.47Å; D250-G253 PolarHBondContact OD1-N 3.48Å; D250-G253 VanDerWaalsContact OD1-N 3.13Å; D250-G253 WeakPolarHBondContact OD2-CA 3.45Å; G253-P277 WeakPolarHBondContact O-CG 3.43Å
254R98.9Very high98.8Very high9 Ų916.3 Ų16.33%0.0349%0.092CC..  trans-116.51.4-179.969.1171.564.2-102.8-4.9114.2M1 Y217 A220 D224 F225 L226 I227 D250 D252M1-R254 HydrophobicContact CE-CB 3.85Å; M1-R254 PolarHBondContact SD-NH2 2.95Å; Y217-R254 HydrophobicContact CE2-CG 3.89Å; A220-R254 PolarHBondContact O-NH1 3.13Å; A220-R254 VanDerWaalsContact O-NH1 3.08Å; D224-R254 IonicContact OD1-CZ 2.97Å; D224-R254 IonicContact OD1-NH1 3.04Å; D224-R254 PolarHBondContact OD1-NH1 3.35Å; D224-R254 IonicContact OD1-NH2 2.82Å; D224-R254 PolarHBondContact OD1-NH2 2.89Å; F225-R254 PolarHBondContact O-NH1 2.97Å; L226-R254 WeakPolarHBondContact CA-O 3.21Å; L226-R254 HydrophobicContact CD2-CB 4.06Å; L226-R254 WeakPolarHBondContact CD2-O 3.3Å; I227-R254 PolarHBondContact N-O 3.17Å; D250-R254 VanDerWaalsContact CG-N 3.29Å; D250-R254 WeakPolarHBondContact OD1-CG 3.13Å; D250-R254 PolarHBondContact OD1-N 3.37Å; D250-R254 PolarHBondContact OD2-N 3.35Å; D252-R254 HydrophobicContact CB-CB 4.49Å; D252-R254 HydrophobicContact CB-CG 4.26Å; D252-R254 IonicContact OD2-CZ 2.83Å; D252-R254 IonicContact OD2-NE 3.45Å; D252-R254 PolarHBondContact OD2-NE 3.27Å; D252-R254 IonicContact OD2-NH2 3.82Å; D252-R254 PolarHBondContact OD2-NH2 3.37Å
255V99Very high98.8Very high0 Ų015.5 Ų15.50%08%0.084CC..EExtended strand (participates in β ladder)trans-100.9125.7-177.9-179.50000110.6Y217 I227 E229 F246 L247 D250 P277Y217-V255 HydrophobicContact CD2-CG2 4.44Å; Y217-V255 HydrophobicContact CE2-CG2 3.96Å; I227-V255 HydrophobicContact CB-CG2 4.24Å; I227-V255 CarbonylContact O-C 3.55Å; I227-V255 WeakPolarHBondContact O-CA 3.47Å; E229-V255 HydrophobicContact CB-CG1 4.16Å; F246-V255 HydrophobicContact CB-CG1 3.98Å; F246-V255 HydrophobicContact CB-CG2 3.9Å; L247-V255 HydrophobicContact CB-CG1 4.31Å; D250-V255 HydrophobicContact CB-CB 3.99Å; D250-V255 HydrophobicContact CB-CG2 3.66Å; D250-V255 VanDerWaalsContact CG-CG2 3.46Å; D250-V255 WeakPolarHBondContact OD2-CB 3.38Å; D250-V255 PolarHBondContact OD2-N 3.19Å; V255-P277 VanDerWaalsContact O-CD 3.28Å; V255-P277 WeakPolarHBondContact O-CD 3.5Å
256I99Very high98.7Very high2 Ų217 Ų171%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-107.1112.3165.1-56.5173.5000107.1V124 M127 L226 I227 I228 E229 L274 L280V124-I256 HydrophobicContact CG1-CD1 3.68Å; V124-I256 HydrophobicContact CG1-CG2 4.44Å; V124-I256 HydrophobicContact CG2-CD1 4.39Å; V124-I256 HydrophobicContact CG2-CG2 3.97Å; M127-I256 HydrophobicContact CE-CD1 4.01Å; L226-I256 HydrophobicContact CD1-CD1 4.32Å; I227-I256 PolarHBondContact O-N 2.93Å; I228-I256 CarbonylContact C-O 3.58Å; I228-I256 WeakPolarHBondContact CA-O 3.22Å; E229-I256 PolarHBondContact N-O 3.25Å; I256-L274 HydrophobicContact CG2-CD2 4.37Å; I256-L280 HydrophobicContact CD1-CB 4.3Å; I256-L280 HydrophobicContact CD1-CD1 3.86Å; I256-L280 HydrophobicContact CG1-CD1 4.17Å
257R98.9Very high98.7Very high0 Ų020.2 Ų20.20%012%0.117CC..EExtended strand (participates in β ladder)trans-99.1136.1179.9-178.8-179.9173.177.46.8110.7E229 D231 Y234 L247 D259 L274 T275E229-R257 HydrophobicContact CB-CB 4.39Å; E229-R257 HydrophobicContact CB-CG 4.44Å; E229-R257 CarbonylContact O-C 3.6Å; E229-R257 WeakPolarHBondContact O-CA 3.42Å; E229-R257 IonicContact OE1-NH1 2.91Å; E229-R257 WeakPolarHBondContact OE2-CD 3.3Å; E229-R257 IonicContact OE2-CZ 3.9Å; E229-R257 IonicContact OE2-NH1 2.75Å; E229-R257 PolarHBondContact OE2-NH1 3.31Å; D231-R257 IonicContact OD2-CZ 3.26Å; D231-R257 VanDerWaalsContact OD2-CZ 3.32Å; D231-R257 IonicContact OD2-NH1 3.3Å; D231-R257 PolarHBondContact OD2-NH1 3.3Å; D231-R257 IonicContact OD2-NH2 2.76Å; D231-R257 PolarHBondContact OD2-NH2 3.02Å; Y234-R257 VanDerWaalsContact CG-NH2 3.29Å; L247-R257 HydrophobicContact CB-CB 4.49Å; L247-R257 HydrophobicContact CD2-CB 4.35Å; R257-D259 WeakPolarHBondContact CD-OD2 3.34Å; R257-D259 IonicContact CZ-OD1 2.85Å; R257-D259 VanDerWaalsContact CZ-OD1 3.26Å; R257-D259 IonicContact CZ-OD2 3Å; R257-D259 VanDerWaalsContact NE-CG 3.29Å; R257-D259 IonicContact NE-OD1 2.58Å; R257-D259 PolarHBondContact NE-OD1 3.06Å; R257-D259 IonicContact NE-OD2 2.72Å; R257-D259 PolarHBondContact NE-OD2 3.5Å; R257-D259 IonicContact NH2-OD1 2.74Å; R257-D259 PolarHBondContact NH2-OD1 3.33Å; R257-L274 CarbonylContact O-C 3.56Å; R257-L274 VanDerWaalsContact O-CA 3.27Å; R257-L274 WeakPolarHBondContact O-CA 3.29Å; R257-T275 PolarHBondContact N-O 3.16Å; R257-T275 PolarHBondContact O-N 3.18Å
258A98.9Very high98.6Very high1 Ų123 Ų231%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-111.3123169.400000110.4L121 E229 D231 L274L121-A258 HydrophobicContact CD1-CB 4.14Å; L121-A258 HydrophobicContact CD2-CB 3.85Å; L121-A258 HydrophobicContact CG-CB 3.86Å; E229-A258 PolarHBondContact O-N 3.35Å; D231-A258 PolarHBondContact N-O 3.13Å; A258-L274 HydrophobicContact CB-CD2 3.68Å
259D98.9Very high98.6Very high0 Ų023 Ų230%014%0.143CC..EExtended strand (participates in β ladder)trans-113.5151.7176.9-73.9-75.7000110.1Q91 S117 R257 G272 F273Q91-D259 PolarHBondContact NE2-OD2 3.48Å; Q91-D259 VanDerWaalsContact NE2-OD2 3.08Å; S117-D259 WeakPolarHBondContact CB-O 3.3Å; R257-D259 WeakPolarHBondContact CD-OD2 3.34Å; R257-D259 IonicContact CZ-OD1 2.85Å; R257-D259 VanDerWaalsContact CZ-OD1 3.26Å; R257-D259 IonicContact CZ-OD2 3Å; R257-D259 VanDerWaalsContact NE-CG 3.29Å; R257-D259 IonicContact NE-OD1 2.58Å; R257-D259 PolarHBondContact NE-OD1 3.06Å; R257-D259 IonicContact NE-OD2 2.72Å; R257-D259 PolarHBondContact NE-OD2 3.5Å; R257-D259 IonicContact NH2-OD1 2.74Å; R257-D259 PolarHBondContact NH2-OD1 3.33Å; D259-G272 WeakPolarHBondContact O-CA 3.45Å; D259-F273 HydrophobicContact CB-CD1 4.01Å; D259-F273 HydrophobicContact CB-CD2 3.85Å; D259-F273 HydrophobicContact CB-CE1 3.52Å; D259-F273 HydrophobicContact CB-CE2 3.35Å; D259-F273 HydrophobicContact CB-CG 4.17Å; D259-F273 HydrophobicContact CB-CZ 3.16Å; D259-F273 PolarHBondContact N-O 2.98Å; D259-F273 PolarHBondContact O-N 3.11Å; D259-F273 WeakPolarHBondContact OD2-CE2 3.44Å
260S98.6Very high98.6Very high6 Ų626.6 Ų26.64%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-142.2133.5-174.7-165.10000112.7S262S260-S262 VanDerWaalsContact C-N 3.27Å; S260-S262 WeakPolarHBondContact OG-CB 3.44Å; S260-S262 PolarHBondContact OG-N 2.9Å; S260-S262 PolarHBondContact OG-OG 2.95Å
261F98.6Very high98.6Very high0 Ų026.6 Ų26.60%016%0.155CC..SBendtrans-87.32.4166.8-66.7-47.2000112.9L87 K263 I264 I265 S266 I271 F273 I303 L307 F315L87-F261 HydrophobicContact CD2-CE2 3.85Å; L87-F261 HydrophobicContact CD2-CZ 3.59Å; F261-K263 PolarHBondContact O-N 3.08Å; F261-K263 VanDerWaalsContact O-N 3.13Å; F261-I264 HydrophobicContact CD1-CD1 4.1Å; F261-I264 HydrophobicContact CD1-CG1 4.35Å; F261-I264 PolarHBondContact O-N 3.3Å; F261-I265 HydrophobicContact CB-CB 4.13Å; F261-I265 HydrophobicContact CB-CD1 4.22Å; F261-I265 HydrophobicContact CB-CG1 4.44Å; F261-I265 HydrophobicContact CD1-CD1 3.69Å; F261-I265 HydrophobicContact CD1-CG1 4.42Å; F261-I265 HydrophobicContact CE1-CD1 4.14Å; F261-I265 HydrophobicContact CG-CD1 3.91Å; F261-I265 PolarHBondContact O-N 3.23Å; F261-S266 PolarHBondContact O-N 3.4Å; F261-I271 HydrophobicContact CD2-CG2 4.31Å; F261-F273 HydrophobicContact CE1-CE1 4.44Å; F261-F273 HydrophobicContact CE2-CD1 4.34Å; F261-F273 HydrophobicContact CE2-CE1 4.05Å; F261-F273 AromaticContact CZ-CE1 3.91Å; F261-F273 HydrophobicContact CZ-CE1 3.91Å; F261-I303 HydrophobicContact CD2-CD1 4.45Å; F261-I303 HydrophobicContact CD2-CG2 4.18Å; F261-I303 HydrophobicContact CE2-CG2 4.09Å; F261-L307 HydrophobicContact CE2-CD1 4.18Å; F261-L307 HydrophobicContact CZ-CD1 3.99Å; F261-F315 HydrophobicContact CD1-CE2 4.47Å; F261-F315 AromaticContact CE1-CE2 3.89Å; F261-F315 HydrophobicContact CE1-CE2 3.89Å; F261-F315 HydrophobicContact CE1-CZ 4Å
262S98.1Very high98.6Very high17 Ų1723.8 Ų23.812%0.11914%0.138CC..THydrogen-bonded Turntrans-64.8-21.3-171.8-64.50000114.3S260 S267S260-S262 VanDerWaalsContact C-N 3.27Å; S260-S262 WeakPolarHBondContact OG-CB 3.44Å; S260-S262 PolarHBondContact OG-N 2.9Å; S260-S262 PolarHBondContact OG-OG 2.95Å; S262-S267 WeakPolarHBondContact O-CB 3.49Å; S262-S267 PolarHBondContact O-N 3.33Å
263K98.3Very high98.6Very high68 Ų6822.1 Ų22.130%0.29613%0.129SC..THydrogen-bonded Turntrans-105.4-12.6-176.2-50.1-52.7177.4-159.70113.8Y233 L236 F261 M354Y233-K263 HydrophobicContact CD1-CG 4.28Å; Y233-K263 HydrophobicContact CE1-CD 4.39Å; Y233-K263 HydrophobicContact CE1-CG 4.06Å; L236-K263 HydrophobicContact CD1-CB 3.6Å; L236-K263 HydrophobicContact CD1-CG 4.45Å; F261-K263 PolarHBondContact O-N 3.08Å; F261-K263 VanDerWaalsContact O-N 3.13Å; K263-M354 HydrophobicContact CD-CE 3.74Å
264I98.4Very high98.6Very high13 Ų1322.1 Ų22.17%0.06713%0.129CC..THydrogen-bonded Turntrans-124.1-25.4-17558.9159.3000113.8F235 L236 F261 F315 H318 V319 V322F235-I264 HydrophobicContact CB-CD1 3.81Å; F235-I264 HydrophobicContact CB-CG2 4.08Å; F235-I264 HydrophobicContact CD2-CD1 3.78Å; F235-I264 HydrophobicContact CG-CD1 3.89Å; L236-I264 HydrophobicContact CD2-CG2 3.91Å; L236-I264 HydrophobicContact CG-CG2 4.01Å; F261-I264 HydrophobicContact CD1-CD1 4.1Å; F261-I264 HydrophobicContact CD1-CG1 4.35Å; F261-I264 PolarHBondContact O-N 3.3Å; I264-F315 HydrophobicContact CD1-CE2 3.82Å; I264-F315 HydrophobicContact CD1-CZ 3.96Å; I264-H318 PolarHBondContact O-NE2 3.41Å; I264-V319 HydrophobicContact CD1-CG2 3.87Å; I264-V322 HydrophobicContact CG2-CG1 4.2Å
265I98.6Very high98.6Very high44 Ų4421.7 Ų21.723%0.22613%0.127CC..THydrogen-bonded Turntrans-120.4-62178.1-60.3173.1000110.4F261 L306 L307 F315F261-I265 HydrophobicContact CB-CB 4.13Å; F261-I265 HydrophobicContact CB-CD1 4.22Å; F261-I265 HydrophobicContact CB-CG1 4.44Å; F261-I265 HydrophobicContact CD1-CD1 3.69Å; F261-I265 HydrophobicContact CD1-CG1 4.42Å; F261-I265 HydrophobicContact CE1-CD1 4.14Å; F261-I265 HydrophobicContact CG-CD1 3.91Å; F261-I265 PolarHBondContact O-N 3.23Å; I265-L306 HydrophobicContact CG2-CD2 4.24Å; I265-L307 HydrophobicContact CD1-CD2 4.27Å; I265-F315 HydrophobicContact CD1-CE2 4.35Å
266S98.6Very high98.6Very high34 Ų3421.8 Ų21.824%0.23813%0.128CC..  trans-164.9126177.5-175.10000113.4F261 G268 L269F261-S266 PolarHBondContact O-N 3.4Å; S266-G268 PolarHBondContact OG-N 3.36Å; S266-L269 WeakPolarHBondContact OG-CG 3.27Å; S266-L269 PolarHBondContact OG-N 3.21Å
267S97.1Very high98.6Very high67 Ų6721.8 Ų21.847%0.46913%0.128SC..THydrogen-bonded Turntrans-75.8-33.3170.657.40000112.9S262 R270S262-S267 WeakPolarHBondContact O-CB 3.49Å; S262-S267 PolarHBondContact O-N 3.33Å; S267-R270 WeakPolarHBondContact O-CD 3.33Å; S267-R270 PolarHBondContact O-NH1 3.19Å; S267-R270 VanDerWaalsContact O-NH1 3.07Å
268G98.3Very high98.6Very high58 Ų5824.9 Ų24.960%0.59814%0.142SC*.THydrogen-bonded Turntrans-77.5-26.2-174.500000114S266 R270S266-G268 PolarHBondContact OG-N 3.36Å; G268-R270 PolarHBondContact O-N 3.28Å
269L98.7Very high98.6Very high34 Ų3426 Ų2618%0.17815%0.149CC..THydrogen-bonded Turntrans-70.2-14175.6-68.2-177.4000113.5S266 N299 M302 I303S266-L269 WeakPolarHBondContact OG-CG 3.27Å; S266-L269 PolarHBondContact OG-N 3.21Å; L269-N299 HydrophobicContact CB-CB 4.26Å; L269-N299 HydrophobicContact CD2-CB 4.22Å; L269-N299 PolarHBondContact O-ND2 2.92Å; L269-M302 HydrophobicContact CD1-CE 4.22Å; L269-M302 HydrophobicContact CD2-CE 4.39Å; L269-M302 HydrophobicContact CD2-SD 4.34Å; L269-I303 HydrophobicContact CD1-CD1 4.23Å; L269-I303 HydrophobicContact CD1-CG1 4.17Å
270R98.8Very high98.6Very high110 Ų11026 Ų2642%0.41515%0.149SC..THydrogen-bonded Turntrans55.653.2179-51.4-51.4-56.3148.3-3.8112.4S115 G116 S267 G268S115-R270 CarbonylContact C-O 3.1Å; S115-R270 WeakPolarHBondContact CA-O 3.38Å; G116-R270 VanDerWaalsContact N-C 3.31Å; G116-R270 PolarHBondContact N-O 3.34Å; S267-R270 WeakPolarHBondContact O-CD 3.33Å; S267-R270 PolarHBondContact O-NH1 3.19Å; S267-R270 VanDerWaalsContact O-NH1 3.07Å; G268-R270 PolarHBondContact O-N 3.28Å
271I98.9Very high98.6Very high1 Ų125.8 Ų25.81%0.00515%0.147CC..  trans-121.7124.2175.3-58.8-64.5000110.1V113 F261 P295 N299 Q300 I303V113-I271 HydrophobicContact CG1-CD1 4.49Å; V113-I271 HydrophobicContact CG1-CG2 3.93Å; F261-I271 HydrophobicContact CD2-CG2 4.31Å; I271-P295 HydrophobicContact CD1-CB 3.62Å; I271-N299 HydrophobicContact CD1-CB 4.4Å; I271-N299 HydrophobicContact CG1-CB 4.26Å; I271-Q300 HydrophobicContact CD1-CG 3.73Å; I271-I303 HydrophobicContact CB-CD1 3.56Å; I271-I303 HydrophobicContact CG1-CD1 3.71Å; I271-I303 HydrophobicContact CG2-CD1 3.82Å
272G98.8Very high98.6Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-143-173.9167.100000108.7V113 T114 D259V113-G272 WeakPolarHBondContact CA-O 3.37Å; V113-G272 WeakPolarHBondContact CG1-O 3.42Å; T114-G272 PolarHBondContact N-O 3.36Å; T114-G272 PolarHBondContact O-N 3.37Å; T114-G272 VanDerWaalsContact O-N 3.1Å; D259-G272 WeakPolarHBondContact O-CA 3.45Å
273F98.9Very high98.7Very high1 Ų130.4 Ų30.40%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-153.2153.417657.5-84.6000112.2L87 Q91 L111 C112 D259 F261L87-F273 HydrophobicContact CD1-CB 4.32Å; L87-F273 HydrophobicContact CD1-CD1 3.91Å; L87-F273 HydrophobicContact CD1-CE1 4.39Å; L87-F273 HydrophobicContact CD1-CG 4.06Å; L87-F273 HydrophobicContact CD2-CD1 4.09Å; L87-F273 HydrophobicContact CD2-CE1 3.73Å; L87-F273 HydrophobicContact CD2-CZ 4.05Å; Q91-F273 HydrophobicContact CG-CE2 4.17Å; L111-F273 HydrophobicContact CD1-CD2 3.84Å; L111-F273 HydrophobicContact CD1-CE2 4.22Å; L111-F273 HydrophobicContact CD2-CB 3.96Å; L111-F273 HydrophobicContact CD2-CD2 4.21Å; L111-F273 HydrophobicContact CD2-CG 4.34Å; L111-F273 HydrophobicContact CG-CD2 4.1Å; C112-F273 CarbonylContact O-C 3.55Å; C112-F273 VanDerWaalsContact O-CA 3.22Å; C112-F273 WeakPolarHBondContact O-CA 3.46Å; C112-F273 WeakPolarHBondContact O-CB 3.35Å; D259-F273 HydrophobicContact CB-CD1 4.01Å; D259-F273 HydrophobicContact CB-CD2 3.85Å; D259-F273 HydrophobicContact CB-CE1 3.52Å; D259-F273 HydrophobicContact CB-CE2 3.35Å; D259-F273 HydrophobicContact CB-CG 4.17Å; D259-F273 HydrophobicContact CB-CZ 3.16Å; D259-F273 PolarHBondContact N-O 2.98Å; D259-F273 PolarHBondContact O-N 3.11Å; D259-F273 WeakPolarHBondContact OD2-CE2 3.44Å; F261-F273 HydrophobicContact CE1-CE1 4.44Å; F261-F273 HydrophobicContact CE2-CD1 4.34Å; F261-F273 HydrophobicContact CE2-CE1 4.05Å; F261-F273 AromaticContact CZ-CE1 3.91Å; F261-F273 HydrophobicContact CZ-CE1 3.91Å
274L98.9Very high98.7Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-103.6139.6169.9-67.9179.4000110L111 C112 T114 V124 I256 R257 A258 I281 V284L111-L274 VanDerWaalsContact CA-O 3.26Å; L111-L274 WeakPolarHBondContact CA-O 3.25Å; L111-L274 WeakPolarHBondContact CG-O 3.42Å; C112-L274 PolarHBondContact N-O 3.15Å; C112-L274 PolarHBondContact O-N 3.28Å; T114-L274 HydrophobicContact CG2-CD1 4.5Å; T114-L274 HydrophobicContact CG2-CG 4.23Å; V124-L274 HydrophobicContact CG2-CD1 3.75Å; I256-L274 HydrophobicContact CG2-CD2 4.37Å; R257-L274 CarbonylContact O-C 3.56Å; R257-L274 VanDerWaalsContact O-CA 3.27Å; R257-L274 WeakPolarHBondContact O-CA 3.29Å; A258-L274 HydrophobicContact CB-CD2 3.68Å; L274-I281 HydrophobicContact CB-CD1 3.88Å; L274-I281 HydrophobicContact CD1-CD1 4.48Å; L274-V284 HydrophobicContact CD1-CG1 3.97Å; L274-V284 HydrophobicContact CD1-CG2 4.25Å
275T98.9Very high98.7Very high0 Ų027.6 Ų27.60%015%0.154CC..EExtended strand (participates in β ladder)trans-120.2132167.2-52.60000109.1Q91 M109 D110 L247 R257Q91-T275 HydrophobicContact CG-CG2 4.37Å; Q91-T275 PolarHBondContact NE2-OG1 3.15Å; M109-T275 HydrophobicContact CG-CG2 3.65Å; M109-T275 HydrophobicContact SD-CG2 3.92Å; D110-T275 WeakPolarHBondContact O-CA 3.26Å; L247-T275 HydrophobicContact CD1-CG2 4.22Å; L247-T275 HydrophobicContact CD2-CG2 3.71Å; R257-T275 PolarHBondContact N-O 3.16Å; R257-T275 PolarHBondContact O-N 3.18Å
276G98.9Very high98.7Very high2 Ų226 Ų262%0.02115%0.145CC..EExtended strand (participates in β ladder)trans176.1-169.3178.500000114.2D110 K278D110-G276 PolarHBondContact N-O 2.87Å; D110-G276 PolarHBondContact O-N 3.37Å; G276-K278 PolarHBondContact O-N 3.19Å
277P98.9Very high98.7Very high1 Ų125.8 Ų25.81%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-62.3127.3-177.9-24.234.2000111.5Y3 G253 V255 P279 L280 I281Y3-P277 HydrophobicContact CE1-CB 3.68Å; Y3-P277 HydrophobicContact CE1-CG 3.95Å; G253-P277 WeakPolarHBondContact O-CG 3.43Å; V255-P277 VanDerWaalsContact O-CD 3.28Å; V255-P277 WeakPolarHBondContact O-CD 3.5Å; P277-P279 VanDerWaalsContact C-CD 3.41Å; P277-P279 VanDerWaalsContact C-N 3.33Å; P277-P279 VanDerWaalsContact O-N 3.15Å; P277-L280 HydrophobicContact CB-CD1 4.25Å; P277-L280 HydrophobicContact CB-CG 4.3Å; P277-L280 HydrophobicContact CG-CD1 4.11Å; P277-L280 WeakPolarHBondContact O-CB 3.38Å; P277-L280 PolarHBondContact O-N 2.91Å; P277-I281 PolarHBondContact O-N 3.05Å
278K98.8Very high98.8Very high66 Ų6622.6 Ų22.629%0.28712%0.119SC..Hα-helixtrans-46.3-44.9-178.6-173.4167.6-175.176.90114.9P104 Q108 D110 G276 L280 I281 E282P104-K278 HydrophobicContact CB-CD 3.97Å; P104-K278 HydrophobicContact CG-CD 4.43Å; Q108-K278 HydrophobicContact CB-CB 4.43Å; Q108-K278 WeakPolarHBondContact O-CB 3.38Å; Q108-K278 PolarHBondContact O-N 2.88Å; D110-K278 HydrophobicContact CB-CB 4.01Å; D110-K278 HydrophobicContact CB-CG 4.18Å; D110-K278 IonicContact OD2-NZ 3.96Å; D110-K278 PolarHBondContact OD2-NZ 3.18Å; G276-K278 PolarHBondContact O-N 3.19Å; K278-L280 PolarHBondContact O-N 3.34Å; K278-I281 PolarHBondContact O-N 2.75Å; K278-E282 WeakPolarHBondContact O-CB 3.45Å; K278-E282 PolarHBondContact O-N 2.87Å
279P98.9Very high98.7Very high24 Ų2420.4 Ų20.416%0.1569%0.093CC..Hα-helixtrans-62.4-30.4-179.9-25.137.9000113.5Y3 P104 P277Y3-P279 HydrophobicContact CD2-CB 3.91Å; Y3-P279 HydrophobicContact CD2-CG 3.67Å; Y3-P279 HydrophobicContact CE2-CG 3.96Å; Y3-P279 HydrophobicContact CG-CB 4.12Å; Y3-P279 HydrophobicContact CG-CG 4.36Å; P104-P279 VanDerWaalsContact O-CD 3.31Å; P104-P279 WeakPolarHBondContact O-CD 3.39Å; P104-P279 WeakPolarHBondContact O-CG 3.32Å; P277-P279 VanDerWaalsContact C-CD 3.41Å; P277-P279 VanDerWaalsContact C-N 3.33Å; P277-P279 VanDerWaalsContact O-N 3.15Å
280L98.9Very high98.6Very high1 Ų123.4 Ų23.41%0.00511%0.112CC..Hα-helixtrans-82.3-45.1178.3-57.4-178000111Y3 I7 M127 L226 I256 P277 K278 E282 R283 V284Y3-L280 HydrophobicContact CD1-CD1 3.77Å; Y3-L280 HydrophobicContact CD1-CD2 3.87Å; Y3-L280 HydrophobicContact CD1-CG 3.72Å; Y3-L280 HydrophobicContact CE1-CD1 4.02Å; Y3-L280 HydrophobicContact CE1-CG 4.25Å; Y3-L280 HydrophobicContact CG-CD2 4.29Å; Y3-L280 HydrophobicContact CG-CG 4.38Å; I7-L280 HydrophobicContact CD1-CD2 4.03Å; I7-L280 HydrophobicContact CG1-CD2 3.9Å; M127-L280 HydrophobicContact CE-CB 4.05Å; M127-L280 HydrophobicContact CE-CD2 4.09Å; M127-L280 HydrophobicContact CE-CG 4.49Å; M127-L280 HydrophobicContact SD-CB 4.2Å; M127-L280 HydrophobicContact SD-CD2 4.25Å; L226-L280 HydrophobicContact CD1-CD1 3.84Å; L226-L280 HydrophobicContact CD2-CD1 4.1Å; I256-L280 HydrophobicContact CD1-CB 4.3Å; I256-L280 HydrophobicContact CD1-CD1 3.86Å; I256-L280 HydrophobicContact CG1-CD1 4.17Å; P277-L280 HydrophobicContact CB-CD1 4.25Å; P277-L280 HydrophobicContact CB-CG 4.3Å; P277-L280 HydrophobicContact CG-CD1 4.11Å; P277-L280 WeakPolarHBondContact O-CB 3.38Å; P277-L280 PolarHBondContact O-N 2.91Å; K278-L280 PolarHBondContact O-N 3.34Å; L280-E282 PolarHBondContact O-N 2.92Å; L280-R283 WeakPolarHBondContact O-CB 3.4Å; L280-R283 PolarHBondContact O-N 3.35Å; L280-R283 VanDerWaalsContact O-N 3.13Å; L280-V284 PolarHBondContact O-N 3Å
281I98.9Very high98.5Very high1 Ų120.9 Ų20.91%0.00511%0.112CC..Hα-helixtrans-59.7-37.2176.6-62.4-61.1000111.2D110 C112 L274 P277 K278 R283 V284 I285D110-I281 HydrophobicContact CB-CB 4.28Å; D110-I281 HydrophobicContact CB-CG1 4.43Å; D110-I281 HydrophobicContact CB-CG2 4.25Å; C112-I281 HydrophobicContact CB-CG2 3.92Å; L274-I281 HydrophobicContact CB-CD1 3.88Å; L274-I281 HydrophobicContact CD1-CD1 4.48Å; P277-I281 PolarHBondContact O-N 3.05Å; K278-I281 PolarHBondContact O-N 2.75Å; I281-R283 VanDerWaalsContact C-N 3.32Å; I281-R283 PolarHBondContact O-N 2.76Å; I281-V284 WeakPolarHBondContact O-CB 3.45Å; I281-V284 PolarHBondContact O-N 3.43Å; I281-V284 VanDerWaalsContact O-N 3.16Å; I281-I285 HydrophobicContact CG2-CD1 3.84Å; I281-I285 HydrophobicContact CG2-CG1 4.34Å; I281-I285 WeakPolarHBondContact O-CG1 3.47Å; I281-I285 PolarHBondContact O-N 2.86Å
282E98.8Very high98.5Very high82 Ų8223.7 Ų23.738%0.38313%0.129SC..Hα-helixtrans-59.6-40.3176.8-167.8-172.4147.500112.6K278 L280 V284 I285 L286K278-E282 WeakPolarHBondContact O-CB 3.45Å; K278-E282 PolarHBondContact O-N 2.87Å; L280-E282 PolarHBondContact O-N 2.92Å; E282-V284 VanDerWaalsContact C-N 3.31Å; E282-V284 PolarHBondContact O-N 3.01Å; E282-I285 PolarHBondContact O-N 3.08Å; E282-L286 WeakPolarHBondContact O-CG 3.2Å; E282-L286 PolarHBondContact O-N 2.91Å
283R98.9Very high98.3Very high31 Ų3125.4 Ų25.412%0.11714%0.138CC..Hα-helixtrans-63.7-38.4177.2-63.3-54.387.9-174.25.6111.9I7 S11 R14 M127 L280 I281 L286 H287I7-R283 HydrophobicContact CD1-CG 4.02Å; I7-R283 HydrophobicContact CG1-CG 4.33Å; I7-R283 HydrophobicContact CG2-CG 4.09Å; S11-R283 WeakPolarHBondContact O-CD 3.4Å; S11-R283 PolarHBondContact O-NH1 3.17Å; S11-R283 WeakPolarHBondContact OG-CB 3.13Å; R14-R283 PolarHBondContact O-NH1 3.17Å; M127-R283 HydrophobicContact CG-CB 4.06Å; M127-R283 HydrophobicContact CG-CG 4.48Å; M127-R283 HydrophobicContact SD-CB 3.63Å; M127-R283 HydrophobicContact SD-CG 4.12Å; L280-R283 WeakPolarHBondContact O-CB 3.4Å; L280-R283 PolarHBondContact O-N 3.35Å; L280-R283 VanDerWaalsContact O-N 3.13Å; I281-R283 VanDerWaalsContact C-N 3.32Å; I281-R283 PolarHBondContact O-N 2.76Å; R283-L286 PolarHBondContact O-N 3Å; R283-H287 PolarHBondContact O-N 3.13Å
284V98.9Very high98.2Very high1 Ų126.5 Ų26.51%0.00614%0.143CC..Hα-helixtrans-64.4-45.8174.5177.20000110.9K123 V124 L274 L280 I281 E282 L286 H287 I288K123-V284 HydrophobicContact CB-CG1 3.89Å; K123-V284 HydrophobicContact CB-CG2 4.39Å; K123-V284 HydrophobicContact CD-CG1 4.09Å; V124-V284 HydrophobicContact CG2-CG2 3.83Å; L274-V284 HydrophobicContact CD1-CG1 3.97Å; L274-V284 HydrophobicContact CD1-CG2 4.25Å; L280-V284 PolarHBondContact O-N 3Å; I281-V284 WeakPolarHBondContact O-CB 3.45Å; I281-V284 PolarHBondContact O-N 3.43Å; I281-V284 VanDerWaalsContact O-N 3.16Å; E282-V284 VanDerWaalsContact C-N 3.31Å; E282-V284 PolarHBondContact O-N 3.01Å; V284-L286 VanDerWaalsContact C-N 3.35Å; V284-L286 PolarHBondContact O-N 3.37Å; V284-H287 WeakPolarHBondContact O-CB 3.05Å; V284-H287 PolarHBondContact O-N 2.94Å; V284-H287 VanDerWaalsContact O-N 3.12Å; V284-I288 HydrophobicContact CG1-CD1 3.99Å; V284-I288 WeakPolarHBondContact O-CG1 3.37Å; V284-I288 PolarHBondContact O-N 3.02Å
285I98.7Very high98.2Very high22 Ų2226.5 Ų26.511%0.11314%0.143CC..Hα-helixtrans-59.4-44.9177.7-68.2164.9000110.9A78 C112 I281 E282 H287 I288 Q289A78-I285 HydrophobicContact CB-CD1 3.9Å; A78-I285 HydrophobicContact CB-CG1 4.2Å; C112-I285 HydrophobicContact CB-CD1 4.36Å; C112-I285 HydrophobicContact CB-CG1 4.05Å; I281-I285 HydrophobicContact CG2-CD1 3.84Å; I281-I285 HydrophobicContact CG2-CG1 4.34Å; I281-I285 WeakPolarHBondContact O-CG1 3.47Å; I281-I285 PolarHBondContact O-N 2.86Å; E282-I285 PolarHBondContact O-N 3.08Å; I285-H287 VanDerWaalsContact C-N 3.28Å; I285-H287 PolarHBondContact O-N 3.26Å; I285-I288 WeakPolarHBondContact O-CA 3.49Å; I285-I288 WeakPolarHBondContact O-CB 3.36Å; I285-I288 PolarHBondContact O-N 2.93Å; I285-I288 VanDerWaalsContact O-N 3.07Å; I285-Q289 WeakPolarHBondContact O-CG 3.4Å; I285-Q289 PolarHBondContact O-N 3.42Å
286L98.5Very high98.2Very high9 Ų928.9 Ų28.95%0.04716%0.16CC..Hα-helixtrans-64.4-33.4177.1-68.6-171.4000112.6R14 P16 E282 R283 V284R14-L286 HydrophobicContact CB-CB 3.96Å; R14-L286 HydrophobicContact CB-CD1 3.88Å; R14-L286 VanDerWaalsContact O-CD1 3.3Å; R14-L286 WeakPolarHBondContact O-CD1 3.29Å; P16-L286 HydrophobicContact CB-CD2 4.22Å; P16-L286 HydrophobicContact CG-CD2 4.24Å; E282-L286 WeakPolarHBondContact O-CG 3.2Å; E282-L286 PolarHBondContact O-N 2.91Å; R283-L286 PolarHBondContact O-N 3Å; V284-L286 VanDerWaalsContact C-N 3.35Å; V284-L286 PolarHBondContact O-N 3.37Å
287H98.6Very high98.1Very high31 Ų3129 Ų2914%0.14416%0.16CC..Hα-helixtrans-68.3-39171.3-166.2-176.9000111.5R14 K123 E126 R283 V284 I285 Q289 V290 S291R14-H287 VanDerWaalsContact CZ-CD2 3.47Å; R14-H287 PolarHBondContact NH1-CD2 3.34Å; R14-H287 PolarHBondContact NH2-CD2 2.9Å; R14-H287 VanDerWaalsContact NH2-CD2 3.27Å; R14-H287 PolarHBondContact NH2-CE1 3.09Å; R14-H287 PolarHBondContact NH2-ND1 3.44Å; R14-H287 PolarHBondContact NH2-NE2 3.44Å; K123-H287 HydrophobicContact CD-CB 4.17Å; K123-H287 PolarHBondContact NZ-CD2 2.97Å; K123-H287 VanDerWaalsContact NZ-CD2 3.33Å; K123-H287 PolarHBondContact NZ-CE1 2.88Å; K123-H287 PolarHBondContact NZ-ND1 3.16Å; K123-H287 PolarHBondContact NZ-NE2 2.91Å; E126-H287 IonicContact OE2-CE1 3.32Å; E126-H287 PolarHBondContact OE2-CE1 3.21Å; E126-H287 IonicContact OE2-ND1 3.51Å; E126-H287 PolarHBondContact OE2-ND1 3.08Å; E126-H287 VanDerWaalsContact OE2-ND1 3.16Å; R283-H287 PolarHBondContact O-N 3.13Å; V284-H287 WeakPolarHBondContact O-CB 3.05Å; V284-H287 PolarHBondContact O-N 2.94Å; V284-H287 VanDerWaalsContact O-N 3.12Å; I285-H287 VanDerWaalsContact C-N 3.28Å; I285-H287 PolarHBondContact O-N 3.26Å; H287-Q289 VanDerWaalsContact C-N 3.33Å; H287-Q289 PolarHBondContact O-N 3.46Å; H287-V290 WeakPolarHBondContact O-CG2 3.44Å; H287-V290 PolarHBondContact O-N 3.01Å; H287-S291 PolarHBondContact O-N 3Å; H287-S291 PolarHBondContact O-OG 3.43Å
288I98.5Very high98.1Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-60.7-41.5175.1-71.7167.2000111.4C112 T114 K123 V284 I285 V290 S291 T292 L293C112-I288 VanDerWaalsContact SG-CD1 3.57Å; T114-I288 HydrophobicContact CG2-CD1 4.31Å; K123-I288 HydrophobicContact CD-CD1 4.4Å; K123-I288 HydrophobicContact CD-CG1 3.63Å; V284-I288 HydrophobicContact CG1-CD1 3.99Å; V284-I288 WeakPolarHBondContact O-CG1 3.37Å; V284-I288 PolarHBondContact O-N 3.02Å; I285-I288 WeakPolarHBondContact O-CA 3.49Å; I285-I288 WeakPolarHBondContact O-CB 3.36Å; I285-I288 PolarHBondContact O-N 2.93Å; I285-I288 VanDerWaalsContact O-N 3.07Å; I288-V290 PolarHBondContact O-N 3.29Å; I288-S291 PolarHBondContact O-N 3.41Å; I288-T292 PolarHBondContact O-N 3.33Å; I288-L293 WeakPolarHBondContact CG2-O 3.37Å; I288-L293 WeakPolarHBondContact O-CA 3.31Å; I288-L293 PolarHBondContact O-N 3.02Å
289Q96.4Very high98.1Very high11 Ų1129.8 Ų29.85%0.05117%0.165CC..THydrogen-bonded Turntrans-57-22.1-178.9-79.4-177.94.600114.6S17 R20 S77 I285 H287 L293S17-Q289 VanDerWaalsContact N-OE1 3.11Å; R20-Q289 HydrophobicContact CB-CG 4.3Å; R20-Q289 HydrophobicContact CG-CB 4.46Å; R20-Q289 HydrophobicContact CG-CG 4.26Å; S77-Q289 VanDerWaalsContact OG-CG 3.25Å; S77-Q289 WeakPolarHBondContact OG-CG 3.33Å; I285-Q289 WeakPolarHBondContact O-CG 3.4Å; I285-Q289 PolarHBondContact O-N 3.42Å; H287-Q289 VanDerWaalsContact C-N 3.33Å; H287-Q289 PolarHBondContact O-N 3.46Å; Q289-L293 WeakPolarHBondContact O-CD2 3.23Å
290V96.3Very high98.1Very high98 Ų9828.7 Ų28.759%0.59416%0.158SC*.THydrogen-bonded Turntrans-114.52.2179.6-58.80000113.3H287 I288H287-V290 WeakPolarHBondContact O-CG2 3.44Å; H287-V290 PolarHBondContact O-N 3.01Å; I288-V290 PolarHBondContact O-N 3.29Å
291S97.6Very high98.1Very high57 Ų5728.7 Ų28.740%0.39916%0.158SC..THydrogen-bonded Turntrans-114.2-81.8175.575.10000111.8K123 H287 I288K123-S291 WeakPolarHBondContact CE-OG 3.49Å; K123-S291 PolarHBondContact NZ-OG 3.45Å; H287-S291 PolarHBondContact O-N 3Å; H287-S291 PolarHBondContact O-OG 3.43Å; I288-S291 PolarHBondContact O-N 3.41Å
292T97.6Very high98.1Very high60 Ų6030.2 Ų30.237%0.36817%0.165SC..THydrogen-bonded Turntrans-94.8-8.4-174.952.40000112.6Q119 I288 H294Q119-T292 VanDerWaalsContact NE2-CG2 3.26Å; Q119-T292 PolarHBondContact NE2-OG1 3.45Å; I288-T292 PolarHBondContact O-N 3.33Å; T292-H294 PolarHBondContact O-N 2.92Å
293L94.8Very high98.1Very high35 Ų3526.4 Ų26.418%0.18315%0.147CC..  trans68.1-55.7-174-48.2176.7000113.1R20 Y74 S77 I288 Q289R20-L293 VanDerWaalsContact NH2-CD1 3.32Å; Y74-L293 HydrophobicContact CD1-CD1 4.08Å; Y74-L293 HydrophobicContact CE1-CD1 3.43Å; Y74-L293 VanDerWaalsContact CE1-CD1 3.43Å; S77-L293 WeakPolarHBondContact CA-O 3.41Å; S77-L293 WeakPolarHBondContact CB-O 3.47Å; S77-L293 PolarHBondContact OG-O 2.98Å; I288-L293 WeakPolarHBondContact CG2-O 3.37Å; I288-L293 WeakPolarHBondContact O-CA 3.31Å; I288-L293 PolarHBondContact O-N 3.02Å; Q289-L293 WeakPolarHBondContact O-CD2 3.23Å
294H97.1Very high98.1Very high24 Ų2425 Ų2511%0.11114%0.143CC..SBendtrans-163.1165.3174.554.982.3000109.9Y74 S75 P76 T292 T297Y74-H294 VanDerWaalsContact CA-NE2 3.29Å; Y74-H294 WeakPolarHBondContact CA-NE2 3.34Å; Y74-H294 AromaticContact CD1-NE2 3.32Å; Y74-H294 VanDerWaalsContact CD1-NE2 3.32Å; Y74-H294 WeakPolarHBondContact CD1-NE2 3.43Å; S75-H294 PolarHBondContact N-CD2 3.45Å; S75-H294 PolarHBondContact N-NE2 3.07Å; S75-H294 VanDerWaalsContact N-NE2 3.14Å; S75-H294 PolarHBondContact O-CD2 3.38Å; S75-H294 PolarHBondContact OG-ND1 3.12Å; P76-H294 WeakPolarHBondContact O-CB 3.47Å; T292-H294 PolarHBondContact O-N 2.92Å; H294-T297 PolarHBondContact CE1-OG1 3.43Å
295P98.4Very high98.1Very high0 Ų027.6 Ų27.60%015%0.154CC..SBendtrans-64.5155.1167.1-15.629.7000111.2V113 I271 T297 Q300V113-P295 HydrophobicContact CB-CG 4.11Å; V113-P295 HydrophobicContact CG1-CB 4.32Å; V113-P295 HydrophobicContact CG1-CG 3.81Å; V113-P295 WeakPolarHBondContact O-CG 3.46Å; I271-P295 HydrophobicContact CD1-CB 3.62Å; P295-T297 PolarHBondContact O-N 2.93Å; P295-T297 VanDerWaalsContact O-N 3.08Å; P295-Q300 HydrophobicContact CB-CG 4.13Å; P295-Q300 PolarHBondContact O-NE2 3.3Å
296S98.8Very high98.1Very high51 Ų5127.4 Ų27.436%0.35715%0.154SC..  trans-49119.3-179.4168.50000111.8F298 N299 Q300S296-F298 VanDerWaalsContact C-N 3.28Å; S296-F298 PolarHBondContact O-N 2.89Å; S296-N299 PolarHBondContact O-N 2.74Å; S296-N299 PolarHBondContact OG-N 3.17Å; S296-N299 PolarHBondContact OG-OD1 3.37Å; S296-Q300 WeakPolarHBondContact O-CG 3.45Å; S296-Q300 PolarHBondContact O-N 2.79Å
297T98.5Very high98.2Very high5 Ų527 Ų273%0.03115%0.152CC..Hα-helixtrans-60.3-41.9-179.3-49.20000110.5R70 A71 Q73 S75 I80 H294 P295 Q300 L301R70-T297 WeakPolarHBondContact O-CG2 3.34Å; A71-T297 WeakPolarHBondContact O-CB 3.26Å; Q73-T297 PolarHBondContact O-OG1 2.87Å; S75-T297 VanDerWaalsContact CB-OG1 3.3Å; S75-T297 WeakPolarHBondContact CB-OG1 3.17Å; S75-T297 PolarHBondContact OG-OG1 2.96Å; I80-T297 HydrophobicContact CG2-CG2 4.12Å; H294-T297 PolarHBondContact CE1-OG1 3.43Å; P295-T297 PolarHBondContact O-N 2.93Å; P295-T297 VanDerWaalsContact O-N 3.08Å; T297-Q300 PolarHBondContact O-N 3.16Å; T297-L301 HydrophobicContact CG2-CD1 4.2Å; T297-L301 WeakPolarHBondContact O-CG 3.41Å; T297-L301 PolarHBondContact O-N 3.03Å
298F98.9Very high98.2Very high51 Ų5129.8 Ų29.822%0.22417%0.165CC..Hα-helixtrans-56-51.3174.6-171-83000112.2A51 I53 F63 M68 A71 S296 Q300 L301 M302A51-F298 HydrophobicContact CB-CE2 4.22Å; A51-F298 HydrophobicContact CB-CZ 4.06Å; I53-F298 HydrophobicContact CD1-CE1 4.27Å; I53-F298 HydrophobicContact CD1-CZ 4.25Å; F63-F298 AromaticContact CD2-CD2 3.94Å; F63-F298 HydrophobicContact CD2-CD2 3.94Å; F63-F298 AromaticContact CD2-CE2 3.49Å; F63-F298 HydrophobicContact CD2-CE2 3.49Å; F63-F298 VanDerWaalsContact CD2-CE2 3.49Å; F63-F298 AromaticContact CD2-CZ 3.99Å; F63-F298 HydrophobicContact CD2-CZ 3.99Å; F63-F298 HydrophobicContact CE2-CD1 4.32Å; F63-F298 AromaticContact CE2-CD2 3.71Å; F63-F298 HydrophobicContact CE2-CD2 3.71Å; F63-F298 HydrophobicContact CE2-CE1 4.17Å; F63-F298 AromaticContact CE2-CE2 3.52Å; F63-F298 HydrophobicContact CE2-CE2 3.52Å; F63-F298 HydrophobicContact CE2-CG 4.09Å; F63-F298 AromaticContact CE2-CZ 3.76Å; F63-F298 HydrophobicContact CE2-CZ 3.76Å; M68-F298 HydrophobicContact CE-CE2 3.84Å; M68-F298 HydrophobicContact SD-CD2 4.22Å; M68-F298 HydrophobicContact SD-CE2 3.97Å; A71-F298 HydrophobicContact CB-CB 4.14Å; A71-F298 HydrophobicContact CB-CD2 3.69Å; A71-F298 HydrophobicContact CB-CG 4.31Å; A71-F298 PolarHBondContact O-N 2.96Å; A71-F298 VanDerWaalsContact O-N 3.09Å; S296-F298 VanDerWaalsContact C-N 3.28Å; S296-F298 PolarHBondContact O-N 2.89Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; F298-Q300 PolarHBondContact O-N 2.85Å; F298-L301 PolarHBondContact O-N 3.37Å; F298-M302 HydrophobicContact CD1-CG 4.16Å; F298-M302 HydrophobicContact CD1-SD 3.67Å; F298-M302 HydrophobicContact CE1-CG 4.01Å; F298-M302 HydrophobicContact CE1-SD 3.38Å; F298-M302 WeakPolarHBondContact CE1-SD 3.46Å; F298-M302 HydrophobicContact CZ-SD 4.48Å; F298-M302 WeakPolarHBondContact O-CG 3.27Å; F298-M302 PolarHBondContact O-N 3.33Å
299N98.9Very high98.2Very high32 Ų3232.5 Ų32.517%0.17118%0.179CC..Hα-helixtrans-68.8-36.1-177.2-61.43.1000111.7L269 I271 S296 M302 I303L269-N299 HydrophobicContact CB-CB 4.26Å; L269-N299 HydrophobicContact CD2-CB 4.22Å; L269-N299 PolarHBondContact O-ND2 2.92Å; I271-N299 HydrophobicContact CD1-CB 4.4Å; I271-N299 HydrophobicContact CG1-CB 4.26Å; S296-N299 PolarHBondContact O-N 2.74Å; S296-N299 PolarHBondContact OG-N 3.17Å; S296-N299 PolarHBondContact OG-OD1 3.37Å; N299-M302 PolarHBondContact O-N 3.13Å; N299-I303 PolarHBondContact O-N 2.86Å; N299-I303 VanDerWaalsContact O-N 3.1Å
300Q98.9Very high98.3Very high0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-63.3-41.7173.2-73.1-176.281.100111.5I80 L83 V113 I271 P295 S296 T297 F298 I303 S304I80-Q300 HydrophobicContact CD1-CB 3.76Å; I80-Q300 HydrophobicContact CG1-CB 4.01Å; I80-Q300 HydrophobicContact CG2-CB 4.46Å; L83-Q300 HydrophobicContact CD2-CB 3.99Å; L83-Q300 HydrophobicContact CD2-CG 3.99Å; V113-Q300 HydrophobicContact CG1-CG 4.41Å; I271-Q300 HydrophobicContact CD1-CG 3.73Å; P295-Q300 HydrophobicContact CB-CG 4.13Å; P295-Q300 PolarHBondContact O-NE2 3.3Å; S296-Q300 WeakPolarHBondContact O-CG 3.45Å; S296-Q300 PolarHBondContact O-N 2.79Å; T297-Q300 PolarHBondContact O-N 3.16Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; F298-Q300 PolarHBondContact O-N 2.85Å; Q300-I303 PolarHBondContact O-N 2.82Å; Q300-S304 WeakPolarHBondContact O-CB 3.41Å; Q300-S304 PolarHBondContact O-N 2.88Å
301L98.9Very high98.4Very high2 Ų229.8 Ų29.81%0.0117%0.165CC..Hα-helixtrans-64.9-39.1176.6-75.6167.1000112F63 M67 R70 A71 I80 T297 F298 S304 Q305F63-L301 HydrophobicContact CE1-CB 4.21Å; F63-L301 HydrophobicContact CE2-CB 4.35Å; F63-L301 HydrophobicContact CZ-CB 3.68Å; M67-L301 HydrophobicContact SD-CD1 3.88Å; M67-L301 HydrophobicContact SD-CD2 3.92Å; M67-L301 HydrophobicContact SD-CG 4.5Å; R70-L301 HydrophobicContact CG-CD1 4.5Å; A71-L301 HydrophobicContact CB-CD1 3.65Å; I80-L301 HydrophobicContact CD1-CD2 3.76Å; I80-L301 HydrophobicContact CD1-CG 3.98Å; T297-L301 HydrophobicContact CG2-CD1 4.2Å; T297-L301 WeakPolarHBondContact O-CG 3.41Å; T297-L301 PolarHBondContact O-N 3.03Å; F298-L301 PolarHBondContact O-N 3.37Å; L301-S304 PolarHBondContact O-N 3.07Å; L301-Q305 WeakPolarHBondContact O-CB 3.47Å; L301-Q305 WeakPolarHBondContact O-CG 3.29Å; L301-Q305 PolarHBondContact O-N 3.04Å
302M98.9Very high98.4Very high32 Ų3229.9 Ų29.916%0.15816%0.159CC..Hα-helixtrans-58.4-53.8174.2-69.1175.159.800111.2I53 I61 F63 L269 F298 N299 S304 Q305 L306I53-M302 HydrophobicContact CD1-CE 3.68Å; I53-M302 HydrophobicContact CD1-CG 3.69Å; I53-M302 HydrophobicContact CD1-SD 3.72Å; I53-M302 HydrophobicContact CG2-CE 4.25Å; I61-M302 WeakPolarHBondContact CD1-O 3.4Å; F63-M302 HydrophobicContact CE2-CG 4.24Å; F63-M302 HydrophobicContact CZ-CG 3.88Å; L269-M302 HydrophobicContact CD1-CE 4.22Å; L269-M302 HydrophobicContact CD2-CE 4.39Å; L269-M302 HydrophobicContact CD2-SD 4.34Å; F298-M302 HydrophobicContact CD1-CG 4.16Å; F298-M302 HydrophobicContact CD1-SD 3.67Å; F298-M302 HydrophobicContact CE1-CG 4.01Å; F298-M302 HydrophobicContact CE1-SD 3.38Å; F298-M302 WeakPolarHBondContact CE1-SD 3.46Å; F298-M302 HydrophobicContact CZ-SD 4.48Å; F298-M302 WeakPolarHBondContact O-CG 3.27Å; F298-M302 PolarHBondContact O-N 3.33Å; N299-M302 PolarHBondContact O-N 3.13Å; M302-S304 VanDerWaalsContact C-N 3.34Å; M302-S304 PolarHBondContact O-N 2.69Å; M302-Q305 PolarHBondContact O-N 3.22Å; M302-L306 WeakPolarHBondContact O-CB 3.35Å; M302-L306 PolarHBondContact O-N 3.18Å
303I98.9Very high98.4Very high2 Ų235.3 Ų35.31%0.0118%0.18CC..Hα-helixtrans-64.9-41.5-179.6-67.8179000110.5L83 F261 L269 I271 N299 Q300 L306 L307L83-I303 HydrophobicContact CD1-CG2 4.18Å; F261-I303 HydrophobicContact CD2-CD1 4.45Å; F261-I303 HydrophobicContact CD2-CG2 4.18Å; F261-I303 HydrophobicContact CE2-CG2 4.09Å; L269-I303 HydrophobicContact CD1-CD1 4.23Å; L269-I303 HydrophobicContact CD1-CG1 4.17Å; I271-I303 HydrophobicContact CB-CD1 3.56Å; I271-I303 HydrophobicContact CG1-CD1 3.71Å; I271-I303 HydrophobicContact CG2-CD1 3.82Å; N299-I303 PolarHBondContact O-N 2.86Å; N299-I303 VanDerWaalsContact O-N 3.1Å; Q300-I303 PolarHBondContact O-N 2.82Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.22Å; I303-L307 HydrophobicContact CG2-CD1 3.56Å; I303-L307 HydrophobicContact CG2-CG 4.07Å; I303-L307 WeakPolarHBondContact O-CB 3.45Å; I303-L307 WeakPolarHBondContact O-CG 3.39Å; I303-L307 PolarHBondContact O-N 2.83Å
304S98.9Very high98.6Very high3 Ų334.5 Ų34.52%0.02118%0.181CC..Hα-helixtrans-61.8-49.7179.3-169.20000111.4E82 Q300 L301 M302 L306 L307 H308E82-S304 VanDerWaalsContact CG-OG 3.25Å; E82-S304 WeakPolarHBondContact CG-OG 3.29Å; Q300-S304 WeakPolarHBondContact O-CB 3.41Å; Q300-S304 PolarHBondContact O-N 2.88Å; L301-S304 PolarHBondContact O-N 3.07Å; M302-S304 VanDerWaalsContact C-N 3.34Å; M302-S304 PolarHBondContact O-N 2.69Å; S304-L306 VanDerWaalsContact C-N 3.32Å; S304-L306 PolarHBondContact O-N 3.37Å; S304-L307 PolarHBondContact O-N 3.48Å; S304-H308 WeakPolarHBondContact O-CB 3.45Å; S304-H308 PolarHBondContact O-N 2.72Å; S304-H308 PolarHBondContact O-ND1 3.36Å; S304-H308 PolarHBondContact OG-CE1 3.39Å; S304-H308 PolarHBondContact OG-ND1 2.86Å
305Q98.8Very high98.7Very high54 Ų5433.4 Ų33.425%0.25218%0.176SC..Hα-helixtrans-63.9-39.5179.9-70.8-173.226.200111.6I61 F63 L301 M302 H308 D309I61-Q305 HydrophobicContact CD1-CB 4.47Å; I61-Q305 HydrophobicContact CG1-CB 4.29Å; I61-Q305 HydrophobicContact CG2-CB 4.49Å; F63-Q305 VanDerWaalsContact CE1-NE2 3.33Å; L301-Q305 WeakPolarHBondContact O-CB 3.47Å; L301-Q305 WeakPolarHBondContact O-CG 3.29Å; L301-Q305 PolarHBondContact O-N 3.04Å; M302-Q305 PolarHBondContact O-N 3.22Å; Q305-H308 PolarHBondContact O-N 2.85Å; Q305-D309 WeakPolarHBondContact O-CB 3.31Å; Q305-D309 PolarHBondContact O-N 2.83Å
306L98.9Very high98.7Very high19 Ų1934.7 Ų34.710%0.09918%0.182CC..Hα-helixtrans-56.7-53.5172.6179.862.8000111.9V55 I61 I265 M302 I303 S304 H308 D309 W310V55-L306 HydrophobicContact CG1-CD1 3.56Å; V55-L306 HydrophobicContact CG2-CD1 4.36Å; I61-L306 HydrophobicContact CD1-CB 4.15Å; I265-L306 HydrophobicContact CG2-CD2 4.24Å; M302-L306 WeakPolarHBondContact O-CB 3.35Å; M302-L306 PolarHBondContact O-N 3.18Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.22Å; S304-L306 VanDerWaalsContact C-N 3.32Å; S304-L306 PolarHBondContact O-N 3.37Å; L306-H308 VanDerWaalsContact C-N 3.32Å; L306-H308 PolarHBondContact O-N 3.03Å; L306-D309 PolarHBondContact O-N 2.96Å; L306-W310 HydrophobicContact CD1-CD2 3.78Å; L306-W310 HydrophobicContact CD1-CE3 4.06Å; L306-W310 HydrophobicContact CD1-CG 4.39Å; L306-W310 HydrophobicContact CD1-CH2 3.98Å; L306-W310 HydrophobicContact CD1-CZ2 3.7Å; L306-W310 HydrophobicContact CD1-CZ3 4.16Å; L306-W310 HydrophobicContact CD2-CE3 4.32Å; L306-W310 HydrophobicContact CD2-CH2 3.98Å; L306-W310 HydrophobicContact CD2-CZ3 3.87Å; L306-W310 HydrophobicContact CG-CD2 4.07Å; L306-W310 HydrophobicContact CG-CE3 3.87Å; L306-W310 HydrophobicContact CG-CH2 4.19Å; L306-W310 HydrophobicContact CG-CZ2 4.38Å; L306-W310 HydrophobicContact CG-CZ3 3.93Å; L306-W310 WeakPolarHBondContact O-CB 3.21Å; L306-W310 PolarHBondContact O-N 3.29Å
307L98.9Very high98.7Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-66.7-32.5-176.7-68.4175.8000112.8L83 W86 F261 I265 I303 S304 G311 F315L83-L307 HydrophobicContact CD1-CD1 3.99Å; W86-L307 HydrophobicContact CD2-CB 3.95Å; W86-L307 HydrophobicContact CD2-CD1 4.3Å; W86-L307 HydrophobicContact CE3-CB 4.25Å; W86-L307 HydrophobicContact CE3-CD1 3.79Å; W86-L307 HydrophobicContact CE3-CG 4.49Å; W86-L307 HydrophobicContact CG-CB 4.48Å; W86-L307 HydrophobicContact CH2-CB 4.21Å; W86-L307 HydrophobicContact CH2-CD1 4.24Å; W86-L307 HydrophobicContact CH2-CD2 3.76Å; W86-L307 HydrophobicContact CH2-CG 4.28Å; W86-L307 HydrophobicContact CZ2-CB 3.86Å; W86-L307 HydrophobicContact CZ2-CD2 4.1Å; W86-L307 HydrophobicContact CZ2-CG 4.42Å; W86-L307 HydrophobicContact CZ3-CB 4.37Å; W86-L307 HydrophobicContact CZ3-CD1 3.75Å; W86-L307 HydrophobicContact CZ3-CD2 4.1Å; W86-L307 HydrophobicContact CZ3-CG 4.29Å; W86-L307 PolarHBondContact NE1-O 2.94Å; F261-L307 HydrophobicContact CE2-CD1 4.18Å; F261-L307 HydrophobicContact CZ-CD1 3.99Å; I265-L307 HydrophobicContact CD1-CD2 4.27Å; I303-L307 HydrophobicContact CG2-CD1 3.56Å; I303-L307 HydrophobicContact CG2-CG 4.07Å; I303-L307 WeakPolarHBondContact O-CB 3.45Å; I303-L307 WeakPolarHBondContact O-CG 3.39Å; I303-L307 PolarHBondContact O-N 2.83Å; S304-L307 PolarHBondContact O-N 3.48Å; L307-G311 WeakPolarHBondContact O-CA 3.46Å; L307-G311 PolarHBondContact O-N 2.85Å; L307-F315 HydrophobicContact CD2-CB 4.32Å; L307-F315 HydrophobicContact CD2-CD2 3.55Å; L307-F315 HydrophobicContact CD2-CE2 4.17Å; L307-F315 HydrophobicContact CD2-CG 4.11Å
308H98.8Very high98.7Very high90 Ų9035.4 Ų35.442%0.41719%0.186SC..Hα-helixtrans-74.9-36.6175.4-73.674.7000112.2E82 W86 S304 Q305 L306 G311E82-H308 PolarHBondContact O-CE1 2.95Å; W86-H308 AromaticContact CD1-CD2 3.99Å; W86-H308 AromaticContact CD1-CE1 3.7Å; W86-H308 AromaticContact CD1-CG 3.96Å; W86-H308 AromaticContact CD1-ND1 3.76Å; W86-H308 AromaticContact CD1-NE2 3.85Å; W86-H308 AromaticContact CG-CE1 3.92Å; S304-H308 WeakPolarHBondContact O-CB 3.45Å; S304-H308 PolarHBondContact O-N 2.72Å; S304-H308 PolarHBondContact O-ND1 3.36Å; S304-H308 PolarHBondContact OG-CE1 3.39Å; S304-H308 PolarHBondContact OG-ND1 2.86Å; Q305-H308 PolarHBondContact O-N 2.85Å; L306-H308 VanDerWaalsContact C-N 3.32Å; L306-H308 PolarHBondContact O-N 3.03Å; H308-G311 PolarHBondContact O-N 2.78Å
309D98.6Very high98.7Very high56 Ų5633 Ų3330%0.29918%0.176SC..Hα-helixtrans-68.2-46.7175.9-177.961000111.8K59 Q305 L306 G311K59-D309 WeakPolarHBondContact CB-OD2 3.42Å; K59-D309 WeakPolarHBondContact CD-OD1 3.42Å; K59-D309 VanDerWaalsContact CE-OD1 3.27Å; K59-D309 WeakPolarHBondContact CE-OD1 3.39Å; K59-D309 WeakPolarHBondContact CG-OD1 3.49Å; K59-D309 WeakPolarHBondContact CG-OD2 3.45Å; K59-D309 PolarHBondContact N-OD2 3.28Å; K59-D309 IonicContact NZ-OD1 2.72Å; K59-D309 PolarHBondContact NZ-OD1 3.47Å; Q305-D309 WeakPolarHBondContact O-CB 3.31Å; Q305-D309 PolarHBondContact O-N 2.83Å; L306-D309 PolarHBondContact O-N 2.96Å; D309-G311 PolarHBondContact O-N 2.79Å
310W98.8Very high98.7Very high28 Ų2835.5 Ų35.511%0.10619%0.189CC..Hα-helixtrans-63.9-30.6173.6-81.6-8.6000112.9V55 N57 L306 G314 H318V55-W310 HydrophobicContact CG1-CZ2 4.41Å; N57-W310 PolarHBondContact O-NE1 3.49Å; L306-W310 HydrophobicContact CD1-CD2 3.78Å; L306-W310 HydrophobicContact CD1-CE3 4.06Å; L306-W310 HydrophobicContact CD1-CG 4.39Å; L306-W310 HydrophobicContact CD1-CH2 3.98Å; L306-W310 HydrophobicContact CD1-CZ2 3.7Å; L306-W310 HydrophobicContact CD1-CZ3 4.16Å; L306-W310 HydrophobicContact CD2-CE3 4.32Å; L306-W310 HydrophobicContact CD2-CH2 3.98Å; L306-W310 HydrophobicContact CD2-CZ3 3.87Å; L306-W310 HydrophobicContact CG-CD2 4.07Å; L306-W310 HydrophobicContact CG-CE3 3.87Å; L306-W310 HydrophobicContact CG-CH2 4.19Å; L306-W310 HydrophobicContact CG-CZ2 4.38Å; L306-W310 HydrophobicContact CG-CZ3 3.93Å; L306-W310 WeakPolarHBondContact O-CB 3.21Å; L306-W310 PolarHBondContact O-N 3.29Å; W310-G314 VanDerWaalsContact O-CA 3.3Å; W310-G314 WeakPolarHBondContact O-CA 3.39Å; W310-G314 PolarHBondContact O-N 3.11Å; W310-H318 HydrophobicContact CE3-CB 4.25Å; W310-H318 HydrophobicContact CH2-CB 3.68Å; W310-H318 AromaticContact CH2-CD2 3.8Å; W310-H318 AromaticContact CH2-CE1 3.98Å; W310-H318 AromaticContact CH2-CG 3.33Å; W310-H318 AromaticContact CH2-ND1 3.48Å; W310-H318 WeakPolarHBondContact CH2-ND1 3.26Å; W310-H318 HydrophobicContact CZ2-CB 4.28Å; W310-H318 HydrophobicContact CZ3-CB 3.66Å; W310-H318 AromaticContact CZ3-CD2 3.81Å; W310-H318 AromaticContact CZ3-CG 3.59Å
311G98.7Very high98.7Very high24 Ų2439.8 Ų39.825%0.24721%0.205CC..Hα-helixtrans56.8-164.4-162.800000110.8L307 H308 D309 F315L307-G311 WeakPolarHBondContact O-CA 3.46Å; L307-G311 PolarHBondContact O-N 2.85Å; H308-G311 PolarHBondContact O-N 2.78Å; D309-G311 PolarHBondContact O-N 2.79Å; G311-F315 WeakPolarHBondContact O-CB 3.26Å; G311-F315 PolarHBondContact O-N 3.33Å
312E97.8Very high98.7Very high60 Ų6040.9 Ų40.928%0.2821%0.212SC..Hα-helixtrans-71.2-41.6179.5-178.8166.9-152.900112.9K93 F315 M316K93-E312 WeakPolarHBondContact CD-OE1 3.35Å; K93-E312 VanDerWaalsContact CE-OE1 3.25Å; K93-E312 WeakPolarHBondContact CE-OE1 3.25Å; K93-E312 WeakPolarHBondContact CG-OE1 3.39Å; K93-E312 IonicContact NZ-OE1 3.06Å; K93-E312 PolarHBondContact NZ-OE1 3.33Å; K93-E312 IonicContact NZ-OE2 3.95Å; K93-E312 PolarHBondContact NZ-OE2 3.02Å; E312-F315 PolarHBondContact O-N 2.8Å; E312-M316 HydrophobicContact CG-CG 4.41Å; E312-M316 WeakPolarHBondContact O-CG 3.39Å; E312-M316 PolarHBondContact O-N 3.02Å
313E98.4Very high98.7Very high173 Ų17340.2 Ų40.281%0.80821%0.21SC*.Hα-helixtrans-62.7-45-178.7-66.2177.3-178.800111.3M316 A317E313-M316 PolarHBondContact O-N 3.19Å; E313-A317 WeakPolarHBondContact O-CB 3.39Å; E313-A317 PolarHBondContact O-N 3.28Å
314G98.8Very high98.6Very high19 Ų1945 Ų4520%0.19624%0.235CC..Hα-helixtrans-66.4-37.4176.700000112.7W310 A317 H318W310-G314 VanDerWaalsContact O-CA 3.3Å; W310-G314 WeakPolarHBondContact O-CA 3.39Å; W310-G314 PolarHBondContact O-N 3.11Å; G314-A317 PolarHBondContact O-N 3.34Å; G314-H318 WeakPolarHBondContact O-CB 3.5Å; G314-H318 PolarHBondContact O-N 3.18Å
315F98.8Very high98.6Very high0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-62.6-46.5173.8171.7-109.9000111.3W86 L90 F235 F261 I264 I265 L307 G311 E312 H318 V319W86-F315 HydrophobicContact CH2-CB 4.13Å; W86-F315 AromaticContact CH2-CD1 3.94Å; W86-F315 HydrophobicContact CH2-CD1 3.94Å; W86-F315 HydrophobicContact CH2-CD2 4.48Å; W86-F315 AromaticContact CH2-CG 3.91Å; W86-F315 HydrophobicContact CH2-CG 3.91Å; W86-F315 HydrophobicContact CZ2-CB 4.27Å; L90-F315 HydrophobicContact CD1-CD1 4.14Å; L90-F315 HydrophobicContact CD1-CE1 4.09Å; L90-F315 HydrophobicContact CD2-CD1 4.48Å; L90-F315 HydrophobicContact CD2-CE1 3.86Å; L90-F315 HydrophobicContact CD2-CZ 4.36Å; F235-F315 HydrophobicContact CD1-CE1 4.28Å; F235-F315 HydrophobicContact CD1-CZ 4.17Å; F235-F315 HydrophobicContact CD2-CZ 4.45Å; F235-F315 AromaticContact CE1-CE1 3.72Å; F235-F315 HydrophobicContact CE1-CE1 3.72Å; F235-F315 AromaticContact CE1-CZ 3.86Å; F235-F315 HydrophobicContact CE1-CZ 3.86Å; F235-F315 HydrophobicContact CE2-CZ 4.16Å; F235-F315 HydrophobicContact CG-CZ 4.47Å; F235-F315 AromaticContact CZ-CE1 3.97Å; F235-F315 HydrophobicContact CZ-CE1 3.97Å; F235-F315 AromaticContact CZ-CZ 3.86Å; F235-F315 HydrophobicContact CZ-CZ 3.86Å; F261-F315 HydrophobicContact CD1-CE2 4.47Å; F261-F315 AromaticContact CE1-CE2 3.89Å; F261-F315 HydrophobicContact CE1-CE2 3.89Å; F261-F315 HydrophobicContact CE1-CZ 4Å; I264-F315 HydrophobicContact CD1-CE2 3.82Å; I264-F315 HydrophobicContact CD1-CZ 3.96Å; I265-F315 HydrophobicContact CD1-CE2 4.35Å; L307-F315 HydrophobicContact CD2-CB 4.32Å; L307-F315 HydrophobicContact CD2-CD2 3.55Å; L307-F315 HydrophobicContact CD2-CE2 4.17Å; L307-F315 HydrophobicContact CD2-CG 4.11Å; G311-F315 WeakPolarHBondContact O-CB 3.26Å; G311-F315 PolarHBondContact O-N 3.33Å; E312-F315 PolarHBondContact O-N 2.8Å; F315-H318 WeakPolarHBondContact O-CB 3.42Å; F315-H318 PolarHBondContact O-N 2.85Å; F315-V319 HydrophobicContact CD2-CG2 4.48Å; F315-V319 HydrophobicContact CE1-CG2 4.14Å; F315-V319 HydrophobicContact CE2-CG2 4.01Å; F315-V319 HydrophobicContact CZ-CG2 3.82Å; F315-V319 WeakPolarHBondContact O-CG2 3.31Å; F315-V319 PolarHBondContact O-N 3.3Å
316M98.6Very high98.6Very high27 Ų2748.3 Ų48.313%0.13325%0.248CC..Hα-helixtrans-66.1-40.5177.7-71.5-52.7-42.200112.2E312 E313 H318 V319 D320E312-M316 HydrophobicContact CG-CG 4.41Å; E312-M316 WeakPolarHBondContact O-CG 3.39Å; E312-M316 PolarHBondContact O-N 3.02Å; E313-M316 PolarHBondContact O-N 3.19Å; M316-H318 PolarHBondContact O-N 2.67Å; M316-V319 HydrophobicContact CE-CB 4.25Å; M316-V319 HydrophobicContact CE-CG1 4.14Å; M316-V319 WeakPolarHBondContact O-CB 3.24Å; M316-V319 PolarHBondContact O-N 3.1Å; M316-V319 VanDerWaalsContact O-N 3.13Å; M316-D320 VanDerWaalsContact O-CG 3.25Å; M316-D320 PolarHBondContact O-N 3.32Å
317A98.7Very high98.6Very high41 Ų4148.7 Ų48.734%0.33925%0.252SS..Hα-helixtrans-61.3-35.1174.300000112.1E313 G314 R321E313-A317 WeakPolarHBondContact O-CB 3.39Å; E313-A317 PolarHBondContact O-N 3.28Å; G314-A317 PolarHBondContact O-N 3.34Å; A317-R321 VanDerWaalsContact C-NH1 3.28Å; A317-R321 WeakPolarHBondContact O-CG 3.28Å; A317-R321 PolarHBondContact O-N 3.04Å; A317-R321 VanDerWaalsContact O-N 3.08Å; A317-R321 PolarHBondContact O-NH1 2.92Å; A317-R321 VanDerWaalsContact O-NH1 3.1Å
318H98.8Very high98.6Very high31 Ų3153.8 Ų53.814%0.14428%0.279CS..Hα-helixtrans-66.5-45.8172.4-179.871000112.1I264 W310 G314 F315 M316 D320 R321 V322I264-H318 PolarHBondContact O-NE2 3.41Å; W310-H318 HydrophobicContact CE3-CB 4.25Å; W310-H318 HydrophobicContact CH2-CB 3.68Å; W310-H318 AromaticContact CH2-CD2 3.8Å; W310-H318 AromaticContact CH2-CE1 3.98Å; W310-H318 AromaticContact CH2-CG 3.33Å; W310-H318 AromaticContact CH2-ND1 3.48Å; W310-H318 WeakPolarHBondContact CH2-ND1 3.26Å; W310-H318 HydrophobicContact CZ2-CB 4.28Å; W310-H318 HydrophobicContact CZ3-CB 3.66Å; W310-H318 AromaticContact CZ3-CD2 3.81Å; W310-H318 AromaticContact CZ3-CG 3.59Å; G314-H318 WeakPolarHBondContact O-CB 3.5Å; G314-H318 PolarHBondContact O-N 3.18Å; F315-H318 WeakPolarHBondContact O-CB 3.42Å; F315-H318 PolarHBondContact O-N 2.85Å; M316-H318 PolarHBondContact O-N 2.67Å; H318-D320 VanDerWaalsContact C-N 3.27Å; H318-D320 PolarHBondContact O-N 2.82Å; H318-R321 PolarHBondContact ND1-NH2 3.3Å; H318-R321 PolarHBondContact O-N 3.27Å; H318-V322 WeakPolarHBondContact O-CG2 3.5Å; H318-V322 PolarHBondContact O-N 2.74Å
319V98.6Very high98.6Very high1 Ų150.5 Ų50.51%0.00626%0.264CS..Hα-helixtrans-56.2-43.3174.1167.20000111.3F235 I264 F315 M316 V322 T323F235-V319 HydrophobicContact CB-CG1 3.93Å; F235-V319 HydrophobicContact CB-CG2 4.06Å; F235-V319 HydrophobicContact CD1-CG1 4.19Å; F235-V319 HydrophobicContact CD1-CG2 3.95Å; F235-V319 HydrophobicContact CG-CG2 4.18Å; F235-V319 WeakPolarHBondContact O-CG1 3.1Å; I264-V319 HydrophobicContact CD1-CG2 3.87Å; F315-V319 HydrophobicContact CD2-CG2 4.48Å; F315-V319 HydrophobicContact CE1-CG2 4.14Å; F315-V319 HydrophobicContact CE2-CG2 4.01Å; F315-V319 HydrophobicContact CZ-CG2 3.82Å; F315-V319 WeakPolarHBondContact O-CG2 3.31Å; F315-V319 PolarHBondContact O-N 3.3Å; M316-V319 HydrophobicContact CE-CB 4.25Å; M316-V319 HydrophobicContact CE-CG1 4.14Å; M316-V319 WeakPolarHBondContact O-CB 3.24Å; M316-V319 PolarHBondContact O-N 3.1Å; M316-V319 VanDerWaalsContact O-N 3.13Å; V319-V322 PolarHBondContact O-N 3.04Å; V319-T323 WeakPolarHBondContact O-CB 3.22Å; V319-T323 PolarHBondContact O-N 2.88Å; V319-T323 PolarHBondContact O-OG1 3.45Å
320D98.6Very high98.6Very high83 Ų8348.9 Ų48.944%0.44426%0.255SS..Hα-helixtrans-64.8-46.4179.1-65.4-18.5000111.1M316 H318 V322 T323 D324M316-D320 VanDerWaalsContact O-CG 3.25Å; M316-D320 PolarHBondContact O-N 3.32Å; H318-D320 VanDerWaalsContact C-N 3.27Å; H318-D320 PolarHBondContact O-N 2.82Å; D320-V322 VanDerWaalsContact C-N 3.31Å; D320-V322 PolarHBondContact O-N 2.88Å; D320-T323 PolarHBondContact O-N 3.26Å; D320-T323 VanDerWaalsContact O-N 3.11Å; D320-D324 PolarHBondContact O-N 2.88Å
321R98.8Very high98.6Very high91 Ų9151.2 Ų51.234%0.34327%0.269SS..Hα-helixtrans-56.7-43.9175.1-73.9-169.9-57.2-79.75.3112.7N57 A317 H318 F325N57-R321 PolarHBondContact OD1-NE 2.9Å; N57-R321 PolarHBondContact OD1-NH2 3.17Å; A317-R321 VanDerWaalsContact C-NH1 3.28Å; A317-R321 WeakPolarHBondContact O-CG 3.28Å; A317-R321 PolarHBondContact O-N 3.04Å; A317-R321 VanDerWaalsContact O-N 3.08Å; A317-R321 PolarHBondContact O-NH1 2.92Å; A317-R321 VanDerWaalsContact O-NH1 3.1Å; H318-R321 PolarHBondContact ND1-NH2 3.3Å; H318-R321 PolarHBondContact O-N 3.27Å; R321-F325 PolarHBondContact O-N 3.34Å
322V98.7Very high98.6Very high25 Ų2551.1 Ų51.115%0.15227%0.266CS..Hα-helixtrans-67.3-42.2178178.60000110.2L236 I264 H318 V319 D320 D324 F325 Y326L236-V322 HydrophobicContact CD2-CG1 3.68Å; I264-V322 HydrophobicContact CG2-CG1 4.2Å; H318-V322 WeakPolarHBondContact O-CG2 3.5Å; H318-V322 PolarHBondContact O-N 2.74Å; V319-V322 PolarHBondContact O-N 3.04Å; D320-V322 VanDerWaalsContact C-N 3.31Å; D320-V322 PolarHBondContact O-N 2.88Å; V322-D324 VanDerWaalsContact C-N 3.35Å; V322-D324 PolarHBondContact O-N 3.2Å; V322-F325 WeakPolarHBondContact O-CB 3.35Å; V322-F325 PolarHBondContact O-N 2.58Å; V322-Y326 HydrophobicContact CG1-CD2 3.69Å; V322-Y326 HydrophobicContact CG1-CE2 3.68Å; V322-Y326 VanDerWaalsContact O-CD2 3.31Å; V322-Y326 WeakPolarHBondContact O-CD2 3.43Å; V322-Y326 PolarHBondContact O-N 2.93Å
323T98.3Very high98.7Very high18 Ų1848.4 Ų48.411%0.1125%0.253CS..Hα-helixtrans-62.7-40.9178.1-58.90000111.6F235 Q237 F238 V319 D320 F325 Y326 S327F235-T323 PolarHBondContact O-OG1 3.46Å; Q237-T323 VanDerWaalsContact O-CG2 3.29Å; Q237-T323 WeakPolarHBondContact O-CG2 3.46Å; F238-T323 HydrophobicContact CD1-CG2 4.26Å; V319-T323 WeakPolarHBondContact O-CB 3.22Å; V319-T323 PolarHBondContact O-N 2.88Å; V319-T323 PolarHBondContact O-OG1 3.45Å; D320-T323 PolarHBondContact O-N 3.26Å; D320-T323 VanDerWaalsContact O-N 3.11Å; T323-F325 PolarHBondContact O-N 3.25Å; T323-Y326 PolarHBondContact O-N 3.09Å; T323-S327 WeakPolarHBondContact O-CB 3.45Å; T323-S327 PolarHBondContact O-N 3.4Å
324D98.6Very high98.7Very high102 Ų10241 Ų4155%0.54522%0.219SC..Hα-helixtrans-60.5-45.4175.7-72.7-18000111.4D320 V322 S327 N328D320-D324 PolarHBondContact O-N 2.88Å; V322-D324 VanDerWaalsContact C-N 3.35Å; V322-D324 PolarHBondContact O-N 3.2Å; D324-S327 PolarHBondContact O-N 3.42Å; D324-N328 VanDerWaalsContact O-CG 3.32Å; D324-N328 PolarHBondContact O-N 3.07Å; D324-N328 PolarHBondContact O-ND2 3.47Å
325F98.7Very high98.7Very high97 Ų9742.9 Ų42.943%0.42523%0.233SC..Hα-helixtrans-57.6-51.7174.1170.7-95.1000111.5R321 V322 T323 S327 N328 Q329R321-F325 PolarHBondContact O-N 3.34Å; V322-F325 WeakPolarHBondContact O-CB 3.35Å; V322-F325 PolarHBondContact O-N 2.58Å; T323-F325 PolarHBondContact O-N 3.25Å; F325-S327 VanDerWaalsContact C-N 3.31Å; F325-S327 PolarHBondContact O-N 3.21Å; F325-N328 PolarHBondContact O-N 2.94Å; F325-Q329 HydrophobicContact CD1-CG 4.29Å; F325-Q329 HydrophobicContact CE1-CG 3.81Å; F325-Q329 HydrophobicContact CE2-CG 4.05Å; F325-Q329 HydrophobicContact CZ-CG 3.68Å; F325-Q329 WeakPolarHBondContact O-CG 3.36Å; F325-Q329 PolarHBondContact O-N 3.35Å
326Y98.8Very high98.7Very high30 Ų3043.1 Ų43.112%0.11824%0.235CC..Hα-helixtrans-67.9-29.8-179.3-82.2-81.7000112.8L236 V322 T323 Q329 K330 M354 F402L236-Y326 HydrophobicContact CD1-CE2 4.46Å; L236-Y326 HydrophobicContact CD2-CD2 3.71Å; L236-Y326 HydrophobicContact CD2-CE2 4.11Å; L236-Y326 HydrophobicContact CD2-CG 4.38Å; V322-Y326 HydrophobicContact CG1-CD2 3.69Å; V322-Y326 HydrophobicContact CG1-CE2 3.68Å; V322-Y326 VanDerWaalsContact O-CD2 3.31Å; V322-Y326 WeakPolarHBondContact O-CD2 3.43Å; V322-Y326 PolarHBondContact O-N 2.93Å; T323-Y326 PolarHBondContact O-N 3.09Å; Y326-Q329 PolarHBondContact O-N 2.91Å; Y326-K330 VanDerWaalsContact O-CB 3.26Å; Y326-K330 WeakPolarHBondContact O-CB 3.45Å; Y326-K330 PolarHBondContact O-N 2.87Å; Y326-M354 HydrophobicContact CD1-CB 3.87Å; Y326-M354 HydrophobicContact CE1-CB 3.53Å; Y326-M354 HydrophobicContact CE1-SD 4.31Å; Y326-F402 HydrophobicContact CD1-CD2 4.23Å; Y326-F402 HydrophobicContact CD1-CE2 4.04Å
327S98.6Very high98.7Very high26 Ų2641.9 Ų41.918%0.18223%0.229CC..Hα-helixtrans-66.3-45173.4-170.80000111T323 D324 F325 Q329 K330 D331T323-S327 WeakPolarHBondContact O-CB 3.45Å; T323-S327 PolarHBondContact O-N 3.4Å; D324-S327 PolarHBondContact O-N 3.42Å; F325-S327 VanDerWaalsContact C-N 3.31Å; F325-S327 PolarHBondContact O-N 3.21Å; S327-Q329 VanDerWaalsContact C-N 3.31Å; S327-Q329 PolarHBondContact O-N 2.9Å; S327-K330 WeakPolarHBondContact O-CB 3.5Å; S327-K330 PolarHBondContact O-N 3.38Å; S327-K330 PolarHBondContact OG-NZ 3.33Å; S327-D331 PolarHBondContact O-N 2.96Å
328N98.7Very high98.7Very high107 Ų10744.4 Ų44.457%0.57224%0.236SC*.Hα-helixtrans-61.4-41175.6-69.4-28000111.6D324 F325 D331 A332D324-N328 VanDerWaalsContact O-CG 3.32Å; D324-N328 PolarHBondContact O-N 3.07Å; D324-N328 PolarHBondContact O-ND2 3.47Å; F325-N328 PolarHBondContact O-N 2.94Å; N328-D331 PolarHBondContact O-N 3.1Å; N328-A332 WeakPolarHBondContact O-CB 3.35Å; N328-A332 PolarHBondContact O-N 3.08Å
329Q98.8Very high98.7Very high22 Ų2249 Ų4910%0.10326%0.256CS..Hα-helixtrans-65.1-39.5175.3-72.1-68.6105.400112.6F325 Y326 S327 A332 I333 F402 A405F325-Q329 HydrophobicContact CD1-CG 4.29Å; F325-Q329 HydrophobicContact CE1-CG 3.81Å; F325-Q329 HydrophobicContact CE2-CG 4.05Å; F325-Q329 HydrophobicContact CZ-CG 3.68Å; F325-Q329 WeakPolarHBondContact O-CG 3.36Å; F325-Q329 PolarHBondContact O-N 3.35Å; Y326-Q329 PolarHBondContact O-N 2.91Å; S327-Q329 VanDerWaalsContact C-N 3.31Å; S327-Q329 PolarHBondContact O-N 2.9Å; Q329-A332 PolarHBondContact O-N 3.35Å; Q329-I333 PolarHBondContact O-N 2.97Å; Q329-F402 HydrophobicContact CB-CB 4.34Å; Q329-F402 HydrophobicContact CB-CD2 3.83Å; Q329-F402 VanDerWaalsContact CB-O 3.26Å; Q329-F402 WeakPolarHBondContact CB-O 3.44Å; Q329-F402 WeakPolarHBondContact CG-O 3.46Å; Q329-F402 PolarHBondContact NE2-O 3.1Å; Q329-A405 PolarHBondContact NE2-O 3.23Å
330K98.8Very high98.8Very high22 Ų2252.2 Ų52.210%0.09627%0.268CS..Hα-helixtrans-62.9-43.6173.7-179.6-138.371.4-155.60110.5F238 Y326 S327 A332 I333 L334 V349 P350 F402F238-K330 HydrophobicContact CD2-CD 3.62Å; F238-K330 HydrophobicContact CD2-CG 4.48Å; F238-K330 HydrophobicContact CE2-CB 4.3Å; F238-K330 HydrophobicContact CE2-CD 3.67Å; F238-K330 HydrophobicContact CE2-CG 4.02Å; F238-K330 HydrophobicContact CG-CD 4.25Å; F238-K330 HydrophobicContact CZ-CB 4.21Å; F238-K330 HydrophobicContact CZ-CD 4.33Å; F238-K330 HydrophobicContact CZ-CG 4.44Å; Y326-K330 VanDerWaalsContact O-CB 3.26Å; Y326-K330 WeakPolarHBondContact O-CB 3.45Å; Y326-K330 PolarHBondContact O-N 2.87Å; S327-K330 WeakPolarHBondContact O-CB 3.5Å; S327-K330 PolarHBondContact O-N 3.38Å; S327-K330 PolarHBondContact OG-NZ 3.33Å; K330-A332 VanDerWaalsContact C-N 3.35Å; K330-I333 VanDerWaalsContact O-CG2 3.25Å; K330-I333 WeakPolarHBondContact O-CG2 3.41Å; K330-I333 PolarHBondContact O-N 3.13Å; K330-L334 HydrophobicContact CD-CD1 4.25Å; K330-L334 HydrophobicContact CG-CD1 4.04Å; K330-L334 WeakPolarHBondContact O-CB 3.44Å; K330-L334 WeakPolarHBondContact O-CD1 3.49Å; K330-L334 WeakPolarHBondContact O-CG 3.36Å; K330-L334 PolarHBondContact O-N 2.86Å; K330-V349 HydrophobicContact CD-CG1 4.45Å; K330-P350 HydrophobicContact CG-CG 4.44Å; K330-F402 HydrophobicContact CB-CD2 4.21Å; K330-F402 HydrophobicContact CB-CE1 4.37Å; K330-F402 HydrophobicContact CB-CE2 3.74Å; K330-F402 HydrophobicContact CB-CZ 3.83Å; K330-F402 HydrophobicContact CG-CE1 4.41Å; K330-F402 HydrophobicContact CG-CZ 4.1Å
331D98.9Very high98.8Very high77 Ų7748.2 Ų48.241%0.41225%0.247SC..Hα-helixtrans-64.8-40177.4-64.6-22.9000111.2S327 N328 L334 A335S327-D331 PolarHBondContact O-N 2.96Å; N328-D331 PolarHBondContact O-N 3.1Å; D331-L334 PolarHBondContact O-N 3.29Å; D331-A335 WeakPolarHBondContact O-CB 3.44Å; D331-A335 PolarHBondContact O-N 3.04Å
332A98.9Very high98.8Very high21 Ų2148.6 Ų48.617%0.17426%0.259CS..Hα-helixtrans-63.8-45.7176.500000113N328 Q329 K330 L334 A335 A336 P407 M410N328-A332 WeakPolarHBondContact O-CB 3.35Å; N328-A332 PolarHBondContact O-N 3.08Å; Q329-A332 PolarHBondContact O-N 3.35Å; K330-A332 VanDerWaalsContact C-N 3.35Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.46Å; A332-A335 PolarHBondContact O-N 2.73Å; A332-A336 PolarHBondContact O-N 3.36Å; A332-P407 HydrophobicContact CB-CB 4.47Å; A332-P407 HydrophobicContact CB-CG 4.18Å; A332-M410 HydrophobicContact CB-SD 3.89Å
333I98.9Very high98.7Very high4 Ų450.1 Ų50.12%0.02128%0.28CS..Hα-helixtrans-68.3-35.1179-163167000111.5Q329 K330 A336 A337 L356 A400 F402 M410 F414Q329-I333 PolarHBondContact O-N 2.97Å; K330-I333 VanDerWaalsContact O-CG2 3.25Å; K330-I333 WeakPolarHBondContact O-CG2 3.41Å; K330-I333 PolarHBondContact O-N 3.13Å; I333-A336 PolarHBondContact O-N 3.41Å; I333-A337 WeakPolarHBondContact O-CB 3.47Å; I333-A337 PolarHBondContact O-N 3.41Å; I333-L356 HydrophobicContact CD1-CB 4.27Å; I333-L356 HydrophobicContact CD1-CD2 4.34Å; I333-L356 HydrophobicContact CG1-CD2 4.08Å; I333-L356 HydrophobicContact CG2-CD2 4.34Å; I333-A400 HydrophobicContact CD1-CB 3.82Å; I333-F402 HydrophobicContact CB-CB 4.02Å; I333-F402 HydrophobicContact CD1-CB 3.91Å; I333-F402 HydrophobicContact CG2-CB 3.8Å; I333-F402 HydrophobicContact CG2-CD1 3.84Å; I333-F402 HydrophobicContact CG2-CG 4.04Å; I333-M410 HydrophobicContact CB-CE 4Å; I333-M410 HydrophobicContact CB-SD 3.7Å; I333-M410 HydrophobicContact CG1-CG 4.48Å; I333-M410 HydrophobicContact CG1-SD 4.27Å; I333-M410 PolarHBondContact N-SD 3.45Å; I333-F414 HydrophobicContact CD1-CE2 4.37Å; I333-F414 HydrophobicContact CD1-CZ 4.03Å; I333-F414 HydrophobicContact CG1-CE2 3.57Å; I333-F414 HydrophobicContact CG1-CZ 3.73Å; I333-F414 WeakPolarHBondContact O-CE2 3.22Å
334L98.9Very high98.8Very high18 Ų1850.3 Ų50.39%0.09428%0.28CS..Hα-helixtrans-65.2-45174.8-71.6168000111.1K330 D331 A332 A336 A337 D338 V349 L356K330-L334 HydrophobicContact CD-CD1 4.25Å; K330-L334 HydrophobicContact CG-CD1 4.04Å; K330-L334 WeakPolarHBondContact O-CB 3.44Å; K330-L334 WeakPolarHBondContact O-CD1 3.49Å; K330-L334 WeakPolarHBondContact O-CG 3.36Å; K330-L334 PolarHBondContact O-N 2.86Å; D331-L334 PolarHBondContact O-N 3.29Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.46Å; L334-A336 VanDerWaalsContact C-N 3.31Å; L334-A336 PolarHBondContact O-N 2.96Å; L334-A337 PolarHBondContact O-N 3.39Å; L334-A337 VanDerWaalsContact O-N 3.12Å; L334-D338 PolarHBondContact O-N 3Å; L334-V349 HydrophobicContact CD1-CG1 3.97Å; L334-V349 HydrophobicContact CD1-CG2 4.26Å; L334-V349 HydrophobicContact CD2-CG2 4.37Å; L334-L356 HydrophobicContact CD2-CD1 3.94Å
335A98.9Very high98.8Very high57 Ų5745.7 Ų45.747%0.47126%0.257SS..Hα-helixtrans-60.2-40.3176.500000112.4D331 A332 K339D331-A335 WeakPolarHBondContact O-CB 3.44Å; D331-A335 PolarHBondContact O-N 3.04Å; A332-A335 PolarHBondContact O-N 2.73Å; A335-K339 WeakPolarHBondContact O-CB 3.33Å; A335-K339 PolarHBondContact O-N 2.99Å
336A98.9Very high98.8Very high6 Ų645.1 Ų45.15%0.0526%0.255CS..Hα-helixtrans-66.8-39.5174.900000112A332 I333 L334 K339 W340 M410 F414A332-A336 PolarHBondContact O-N 3.36Å; I333-A336 PolarHBondContact O-N 3.41Å; L334-A336 VanDerWaalsContact C-N 3.31Å; L334-A336 PolarHBondContact O-N 2.96Å; A336-K339 PolarHBondContact O-N 2.85Å; A336-W340 PolarHBondContact O-N 3.14Å; A336-W340 VanDerWaalsContact O-N 3.08Å; A336-M410 HydrophobicContact CB-CB 4.01Å; A336-F414 HydrophobicContact CB-CD2 3.66Å; A336-F414 HydrophobicContact CB-CE2 4.21Å
337A98.9Very high98.8Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-65.6-45.8176.900000111.1I333 L334 K339 W340 L341 T342 W347 L356 F414I333-A337 WeakPolarHBondContact O-CB 3.47Å; I333-A337 PolarHBondContact O-N 3.41Å; L334-A337 PolarHBondContact O-N 3.39Å; L334-A337 VanDerWaalsContact O-N 3.12Å; A337-K339 VanDerWaalsContact C-N 3.28Å; A337-K339 PolarHBondContact O-N 2.97Å; A337-W340 PolarHBondContact O-N 3.4Å; A337-L341 HydrophobicContact CB-CD1 4.24Å; A337-L341 WeakPolarHBondContact O-CA 3.48Å; A337-L341 WeakPolarHBondContact O-CB 3.25Å; A337-L341 PolarHBondContact O-N 3.25Å; A337-T342 PolarHBondContact O-N 3.08Å; A337-W347 VanDerWaalsContact C-CH2 3.42Å; A337-W347 HydrophobicContact CB-CD2 4.22Å; A337-W347 HydrophobicContact CB-CE3 4.44Å; A337-W347 HydrophobicContact CB-CH2 3.69Å; A337-W347 HydrophobicContact CB-CZ2 3.39Å; A337-W347 HydrophobicContact CB-CZ3 4.21Å; A337-W347 VanDerWaalsContact O-CH2 3.24Å; A337-W347 WeakPolarHBondContact O-CH2 3.29Å; A337-L356 HydrophobicContact CB-CD2 4.31Å; A337-F414 HydrophobicContact CB-CD2 4.12Å; A337-F414 HydrophobicContact CB-CE2 3.74Å; A337-F414 HydrophobicContact CB-CZ 4.47Å
338D98.9Very high98.8Very high94 Ų9449.5 Ų49.550%0.50327%0.272SS..Hα-helixtrans-56.3-43.8175-72.7-23.7000111.1L334 T342 W347L334-D338 PolarHBondContact O-N 3Å; D338-T342 WeakPolarHBondContact O-CB 3.12Å; D338-T342 PolarHBondContact O-OG1 3.08Å; D338-W347 WeakPolarHBondContact OD1-CZ2 3.14Å
339K98.8Very high98.8Very high127 Ų12749 Ų4955%0.55227%0.272SS*.Hα-helixtrans-65.8-44.1-179.5-177.8179171.4-166.20113.4A335 A336 A337 D411A335-K339 WeakPolarHBondContact O-CB 3.33Å; A335-K339 PolarHBondContact O-N 2.99Å; A336-K339 PolarHBondContact O-N 2.85Å; A337-K339 VanDerWaalsContact C-N 3.28Å; A337-K339 PolarHBondContact O-N 2.97Å; K339-D411 WeakPolarHBondContact CD-OD1 3.26Å; K339-D411 WeakPolarHBondContact CE-OD1 3.13Å; K339-D411 IonicContact NZ-OD1 2.98Å; K339-D411 PolarHBondContact NZ-OD1 2.98Å; K339-D411 IonicContact NZ-OD2 2.7Å; K339-D411 PolarHBondContact NZ-OD2 2.94Å
340W98.9Very high98.8Very high69 Ų6948 Ų4826%0.26127%0.268SS..Hα-helixtrans-109.7-28.2-167.3-67.5113000115.2A336 A337 D411 F414 Q415 A418A336-W340 PolarHBondContact O-N 3.14Å; A336-W340 VanDerWaalsContact O-N 3.08Å; A337-W340 PolarHBondContact O-N 3.4Å; W340-D411 VanDerWaalsContact NE1-CG 3.32Å; W340-D411 PolarHBondContact NE1-O 3.33Å; W340-D411 PolarHBondContact NE1-OD1 2.75Å; W340-F414 HydrophobicContact CB-CB 3.89Å; W340-F414 HydrophobicContact CG-CB 4.31Å; W340-Q415 HydrophobicContact CD2-CB 3.94Å; W340-Q415 HydrophobicContact CD2-CG 4.33Å; W340-Q415 HydrophobicContact CE3-CB 4.2Å; W340-Q415 HydrophobicContact CE3-CG 4.12Å; W340-Q415 HydrophobicContact CG-CB 4.44Å; W340-Q415 HydrophobicContact CH2-CB 4.29Å; W340-Q415 HydrophobicContact CH2-CG 3.8Å; W340-Q415 HydrophobicContact CZ2-CB 4.02Å; W340-Q415 HydrophobicContact CZ2-CG 4.01Å; W340-Q415 HydrophobicContact CZ3-CB 4.38Å; W340-Q415 HydrophobicContact CZ3-CG 3.86Å; W340-A418 HydrophobicContact CB-CB 4.34Å; W340-A418 VanDerWaalsContact O-CB 3.24Å; W340-A418 WeakPolarHBondContact O-CB 3.45Å
341L98.8Very high98.8Very high0 Ų048.4 Ų48.40%028%0.275CS..Hα-helixtrans-106.3-7.9-170.8-56-177.8000113.6A337 G343 L344 A345 W347 I358 F414 L417 A418 I421A337-L341 HydrophobicContact CB-CD1 4.24Å; A337-L341 WeakPolarHBondContact O-CA 3.48Å; A337-L341 WeakPolarHBondContact O-CB 3.25Å; A337-L341 PolarHBondContact O-N 3.25Å; L341-G343 PolarHBondContact O-N 3.27Å; L341-L344 WeakPolarHBondContact O-CA 3.17Å; L341-L344 WeakPolarHBondContact O-CB 3.4Å; L341-L344 PolarHBondContact O-N 3.42Å; L341-A345 HydrophobicContact CB-CB 4.25Å; L341-A345 PolarHBondContact O-N 3.08Å; L341-W347 HydrophobicContact CB-CH2 3.89Å; L341-W347 HydrophobicContact CB-CZ3 3.57Å; L341-W347 HydrophobicContact CD1-CZ3 4.45Å; L341-I358 HydrophobicContact CD1-CD1 4.2Å; L341-I358 HydrophobicContact CD1-CG2 4.34Å; L341-F414 HydrophobicContact CD1-CB 4.46Å; L341-F414 HydrophobicContact CD1-CD1 3.73Å; L341-F414 HydrophobicContact CD1-CD2 4.23Å; L341-F414 HydrophobicContact CD1-CE1 3.9Å; L341-F414 HydrophobicContact CD1-CE2 4.37Å; L341-F414 HydrophobicContact CD1-CG 3.91Å; L341-F414 HydrophobicContact CD1-CZ 4.22Å; L341-F414 HydrophobicContact CD2-CB 4.36Å; L341-F414 HydrophobicContact CG-CB 4.22Å; L341-F414 HydrophobicContact CG-CD1 4.38Å; L341-F414 HydrophobicContact CG-CG 4.2Å; L341-L417 HydrophobicContact CD1-CD2 4.11Å; L341-L417 HydrophobicContact CD2-CB 4.37Å; L341-L417 HydrophobicContact CD2-CD2 3.91Å; L341-L417 HydrophobicContact CD2-CG 4.14Å; L341-A418 HydrophobicContact CD2-CB 4.16Å; L341-I421 HydrophobicContact CD2-CD1 4.49Å
342T98.6Very high98.8Very high98 Ų9844.7 Ų44.760%0.60126%0.255SS*.BIsolated β-bridgetrans-54124.2174.8-67.10000110.9A337 D338 L344A337-T342 PolarHBondContact O-N 3.08Å; D338-T342 WeakPolarHBondContact O-CB 3.12Å; D338-T342 PolarHBondContact O-OG1 3.08Å; T342-L344 VanDerWaalsContact C-N 3.28Å; T342-L344 PolarHBondContact O-N 2.8Å
343G98.3Very high98.7Very high58 Ų5843.8 Ų43.860%0.59825%0.248SC*.THydrogen-bonded Turntrans87-18.2-176.200000114.9L341L341-G343 PolarHBondContact O-N 3.27Å
344L98.8Very high98.7Very high21 Ų2144.6 Ų44.611%0.1125%0.251CS..THydrogen-bonded Turntrans-101.7-28.3179.3-56.3176.6000112.8L341 T342 K361 A418 I421 K422L341-L344 WeakPolarHBondContact O-CA 3.17Å; L341-L344 WeakPolarHBondContact O-CB 3.4Å; L341-L344 PolarHBondContact O-N 3.42Å; T342-L344 VanDerWaalsContact C-N 3.28Å; T342-L344 PolarHBondContact O-N 2.8Å; L344-K361 WeakPolarHBondContact O-CB 3.37Å; L344-K361 PolarHBondContact O-N 3.35Å; L344-A418 HydrophobicContact CD1-CB 3.62Å; L344-I421 HydrophobicContact CB-CD1 4.3Å; L344-I421 HydrophobicContact CB-CG2 4.15Å; L344-I421 HydrophobicContact CD2-CG2 4.28Å; L344-K422 HydrophobicContact CD1-CG 4.24Å; L344-K422 HydrophobicContact CD2-CG 3.92Å
345A98.8Very high98.7Very high6 Ų644.3 Ų44.35%0.0525%0.25CC..EExtended strand (participates in β ladder)trans-142.9170.8-179.100000111.7L341 W347 I358 K359L341-A345 HydrophobicContact CB-CB 4.25Å; L341-A345 PolarHBondContact O-N 3.08Å; A345-W347 HydrophobicContact CB-CE3 4.31Å; A345-W347 HydrophobicContact CB-CZ3 4.17Å; A345-I358 HydrophobicContact CB-CG2 3.57Å; A345-K359 CarbonylContact C-O 3.59Å; A345-K359 WeakPolarHBondContact CA-O 3.38Å; A345-K359 VanDerWaalsContact CB-O 3.27Å; A345-K359 WeakPolarHBondContact CB-O 3.22Å
346E98.7Very high98.7Very high85 Ų8541.6 Ų41.640%0.39723%0.227SC..EExtended strand (participates in β ladder)trans-135.5147.517259.7-168.7-166.800110.3K359 K361E346-K359 HydrophobicContact CG-CB 3.81Å; E346-K359 HydrophobicContact CG-CD 3.91Å; E346-K359 HydrophobicContact CG-CG 4.49Å; E346-K359 PolarHBondContact N-O 3.4Å; E346-K359 PolarHBondContact O-N 3.4Å; E346-K359 WeakPolarHBondContact OE1-CD 3.11Å; E346-K359 IonicContact OE1-NZ 2.91Å; E346-K359 PolarHBondContact OE1-NZ 3.29Å; E346-K361 WeakPolarHBondContact OE2-CE 3.43Å; E346-K361 IonicContact OE2-NZ 3.34Å
347W98.9Very high98.7Very high49 Ų4942.3 Ų42.319%0.18623%0.229CC..EExtended strand (participates in β ladder)trans-152.3161-179.656.189.1000110.3A337 D338 L341 A345 L356 W357 I358A337-W347 VanDerWaalsContact C-CH2 3.42Å; A337-W347 HydrophobicContact CB-CD2 4.22Å; A337-W347 HydrophobicContact CB-CE3 4.44Å; A337-W347 HydrophobicContact CB-CH2 3.69Å; A337-W347 HydrophobicContact CB-CZ2 3.39Å; A337-W347 HydrophobicContact CB-CZ3 4.21Å; A337-W347 VanDerWaalsContact O-CH2 3.24Å; A337-W347 WeakPolarHBondContact O-CH2 3.29Å; D338-W347 WeakPolarHBondContact OD1-CZ2 3.14Å; L341-W347 HydrophobicContact CB-CH2 3.89Å; L341-W347 HydrophobicContact CB-CZ3 3.57Å; L341-W347 HydrophobicContact CD1-CZ3 4.45Å; A345-W347 HydrophobicContact CB-CE3 4.31Å; A345-W347 HydrophobicContact CB-CZ3 4.17Å; W347-L356 HydrophobicContact CB-CD1 4.07Å; W347-L356 HydrophobicContact CG-CD1 4.1Å; W347-W357 VanDerWaalsContact CB-O 3.29Å; W347-W357 WeakPolarHBondContact CB-O 3.39Å; W347-I358 HydrophobicContact CB-CG1 4.42Å
348H98.6Very high98.7Very high99 Ų9942.3 Ų42.346%0.45823%0.229SC..PPolyproline II helixtrans-102.2153167.4-64.6-73.4000110.1P350 L356H348-P350 WeakPolarHBondContact O-CD 3.25Å; H348-L356 WeakPolarHBondContact O-CD1 2.9Å
349V98.7Very high98.7Very high95 Ų9541 Ų4158%0.57622%0.218SC*.PPolyproline II helixtrans-69.8121.3173.9175.90000108.6K330 L334 A351K330-V349 HydrophobicContact CD-CG1 4.45Å; L334-V349 HydrophobicContact CD1-CG1 3.97Å; L334-V349 HydrophobicContact CD1-CG2 4.26Å; L334-V349 HydrophobicContact CD2-CG2 4.37Å; V349-A351 PolarHBondContact O-N 3.4Å
350P98.7Very high98.7Very high2 Ų235.1 Ų35.11%0.01319%0.193CC..PPolyproline II helixtrans-60.9130177.9-2435.6000110.5G205 F238 K330 H348 F355 L356 F402G205-P350 WeakPolarHBondContact O-CA 3.43Å; F238-P350 VanDerWaalsContact CD2-O 3.29Å; F238-P350 WeakPolarHBondContact CD2-O 3.13Å; F238-P350 HydrophobicContact CE2-CB 4.35Å; K330-P350 HydrophobicContact CG-CG 4.44Å; H348-P350 WeakPolarHBondContact O-CD 3.25Å; P350-F355 WeakPolarHBondContact CG-O 3.43Å; P350-L356 HydrophobicContact CG-CB 4.47Å; P350-L356 HydrophobicContact CG-CD1 3.86Å; P350-F402 HydrophobicContact CB-CE1 4.34Å; P350-F402 HydrophobicContact CB-CZ 4.49Å; P350-F402 HydrophobicContact CG-CE1 4.07Å
351A98.5Very high98.7Very high30 Ų3036.1 Ų36.125%0.24820%0.199CC..SBendtrans-83.4-24.217900000112.4G205 S207 F238 V349G205-A351 PolarHBondContact O-N 3.05Å; S207-A351 WeakPolarHBondContact OG-CB 3.38Å; F238-A351 WeakPolarHBondContact CD2-O 3.44Å; F238-A351 PolarHBondContact N-O 2.94Å; F238-A351 VanDerWaalsContact N-O 3.13Å; V349-A351 PolarHBondContact O-N 3.4Å
352A98.7Very high98.6Very high0 Ų039.5 Ų39.50%023%0.234CC..BIsolated β-bridgetrans-158.7171.1177.400000111.2G200 L236 Q237G200-A352 WeakPolarHBondContact CA-O 3.4Å; L236-A352 CarbonylContact O-C 3.55Å; L236-A352 WeakPolarHBondContact O-CA 3.28Å; L236-A352 WeakPolarHBondContact O-CB 3.48Å; Q237-A352 HydrophobicContact CB-CB 4.33Å; Q237-A352 HydrophobicContact CG-CB 3.89Å
353G98.4Very high98.6Very high1 Ų135.9 Ų35.91%0.0121%0.211CC..SBendtrans86.5-141.3170.300000113.5L236 F238L236-G353 PolarHBondContact O-N 3.02Å; F238-G353 WeakPolarHBondContact CZ-O 3.13Å
354M98.8Very high98.5Very high21 Ų2139.6 Ų39.610%0.10322%0.217CC..SBendtrans-146.318.3-167.662.7-176.6171.500114.9Y233 K263 Y326 F402Y233-M354 HydrophobicContact CE1-CE 3.9Å; Y233-M354 HydrophobicContact CE1-CG 4.12Å; Y233-M354 HydrophobicContact CE1-SD 4.5Å; K263-M354 HydrophobicContact CD-CE 3.74Å; Y326-M354 HydrophobicContact CD1-CB 3.87Å; Y326-M354 HydrophobicContact CE1-CB 3.53Å; Y326-M354 HydrophobicContact CE1-SD 4.31Å; M354-F402 VanDerWaalsContact C-CZ 3.49Å; M354-F402 HydrophobicContact CB-CE2 4.37Å; M354-F402 PolarHBondContact O-N 3.31Å; M354-F402 VanDerWaalsContact O-N 3.11Å
355F98.9Very high98.5Very high13 Ų1341.3 Ų41.36%0.05723%0.226CC..EExtended strand (participates in β ladder)trans-128.9138.9-176.2-57.3-55.4000112.5N202 Y233 P350 R399 A400 F402N202-F355 HydrophobicContact CB-CD2 4.04Å; N202-F355 HydrophobicContact CB-CE2 3.94Å; N202-F355 WeakPolarHBondContact ND2-CE2 3.49Å; N202-F355 WeakPolarHBondContact OD1-CE2 3.34Å; Y233-F355 VanDerWaalsContact OH-CE2 3.28Å; Y233-F355 WeakPolarHBondContact OH-CE2 3.42Å; P350-F355 WeakPolarHBondContact CG-O 3.43Å; F355-R399 HydrophobicContact CB-CG 3.83Å; F355-R399 HydrophobicContact CD1-CG 3.93Å; F355-R399 HydrophobicContact CG-CG 3.9Å; F355-A400 CarbonylContact C-O 3.55Å; F355-A400 VanDerWaalsContact CA-O 3.3Å; F355-A400 WeakPolarHBondContact CA-O 3.49Å; F355-F402 VanDerWaalsContact C-CE1 3.45Å
356L98.9Very high98.5Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-105133.6166-177.967.7000108.4I333 L334 A337 W347 H348 P350 I358 A400 F414I333-L356 HydrophobicContact CD1-CB 4.27Å; I333-L356 HydrophobicContact CD1-CD2 4.34Å; I333-L356 HydrophobicContact CG1-CD2 4.08Å; I333-L356 HydrophobicContact CG2-CD2 4.34Å; L334-L356 HydrophobicContact CD2-CD1 3.94Å; A337-L356 HydrophobicContact CB-CD2 4.31Å; W347-L356 HydrophobicContact CB-CD1 4.07Å; W347-L356 HydrophobicContact CG-CD1 4.1Å; H348-L356 WeakPolarHBondContact O-CD1 2.9Å; P350-L356 HydrophobicContact CG-CB 4.47Å; P350-L356 HydrophobicContact CG-CD1 3.86Å; L356-I358 HydrophobicContact CD2-CD1 3.99Å; L356-I358 HydrophobicContact CD2-CG1 3.99Å; L356-I358 HydrophobicContact CG-CD1 4.3Å; L356-I358 HydrophobicContact CG-CG1 3.92Å; L356-A400 HydrophobicContact CB-CB 4.3Å; L356-A400 PolarHBondContact N-O 3.24Å; L356-A400 PolarHBondContact O-N 2.8Å; L356-F414 HydrophobicContact CD2-CZ 4.31Å
357W98.9Very high98.4Very high21 Ų2141.2 Ų41.28%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-110.6114-178.3-171.2-124.7000110.5P140 P203 T204 W347 F387 Y397 L398 R399P140-W357 HydrophobicContact CB-CZ2 4.4Å; P140-W357 HydrophobicContact CG-CZ2 4.03Å; P203-W357 HydrophobicContact CB-CD2 4.18Å; P203-W357 HydrophobicContact CB-CE3 3.64Å; P203-W357 HydrophobicContact CB-CH2 4.08Å; P203-W357 HydrophobicContact CB-CZ3 3.62Å; P203-W357 HydrophobicContact CG-CD2 4.07Å; P203-W357 HydrophobicContact CG-CE3 3.9Å; P203-W357 HydrophobicContact CG-CH2 3.63Å; P203-W357 HydrophobicContact CG-CZ2 3.84Å; P203-W357 HydrophobicContact CG-CZ3 3.72Å; T204-W357 WeakPolarHBondContact O-CB 3.42Å; W347-W357 VanDerWaalsContact CB-O 3.29Å; W347-W357 WeakPolarHBondContact CB-O 3.39Å; W357-F387 AromaticContact CH2-CD2 3.93Å; W357-F387 HydrophobicContact CH2-CD2 3.93Å; W357-F387 HydrophobicContact CH2-CE2 4.46Å; W357-F387 HydrophobicContact CZ3-CD2 4.18Å; W357-F387 HydrophobicContact CZ3-CE2 4.26Å; W357-Y397 AromaticContact CD1-CD1 3.55Å; W357-Y397 AromaticContact CD1-CE1 3.74Å; W357-Y397 AromaticContact CD2-CD1 3.99Å; W357-Y397 HydrophobicContact CD2-CD1 3.99Å; W357-Y397 HydrophobicContact CD2-CG 4.41Å; W357-Y397 AromaticContact CE2-CD1 3.38Å; W357-Y397 AromaticContact CE2-CG 3.57Å; W357-Y397 HydrophobicContact CG-CD1 4.12Å; W357-Y397 HydrophobicContact CH2-CG 4.4Å; W357-Y397 AromaticContact CZ2-CD1 3.93Å; W357-Y397 HydrophobicContact CZ2-CD1 3.93Å; W357-Y397 HydrophobicContact CZ2-CD2 4.3Å; W357-Y397 AromaticContact CZ2-CG 3.59Å; W357-Y397 HydrophobicContact CZ2-CG 3.59Å; W357-Y397 AromaticContact NE1-CD1 3.04Å; W357-Y397 AromaticContact NE1-CE1 3.37Å; W357-Y397 AromaticContact NE1-CG 3.61Å; W357-L398 VanDerWaalsContact CZ3-C 3.5Å; W357-R399 HydrophobicContact CE3-CB 3.83Å; W357-R399 HydrophobicContact CE3-CG 4.38Å; W357-R399 HydrophobicContact CZ3-CB 3.75Å
358I98.9Very high98.1Very high0 Ų044.3 Ų44.30%024%0.24CC..EExtended strand (participates in β ladder)trans-116.4124.5-166.3-59.7163.8000108.4L341 A345 W347 L356 M381 Y397 L398 A400 F414L341-I358 HydrophobicContact CD1-CD1 4.2Å; L341-I358 HydrophobicContact CD1-CG2 4.34Å; A345-I358 HydrophobicContact CB-CG2 3.57Å; W347-I358 HydrophobicContact CB-CG1 4.42Å; L356-I358 HydrophobicContact CD2-CD1 3.99Å; L356-I358 HydrophobicContact CD2-CG1 3.99Å; L356-I358 HydrophobicContact CG-CD1 4.3Å; L356-I358 HydrophobicContact CG-CG1 3.92Å; I358-M381 HydrophobicContact CD1-CE 3.76Å; I358-Y397 CarbonylContact O-C 3.57Å; I358-Y397 VanDerWaalsContact O-CA 3.23Å; I358-Y397 WeakPolarHBondContact O-CA 3.44Å; I358-L398 PolarHBondContact N-O 3.45Å; I358-L398 PolarHBondContact O-N 3.1Å; I358-A400 HydrophobicContact CD1-CB 4.07Å; I358-F414 HydrophobicContact CD1-CE1 3.7Å; I358-F414 HydrophobicContact CD1-CZ 3.7Å
359K98.8Very high98Very high66 Ų6640 Ų4029%0.28722%0.22SC..EExtended strand (participates in β ladder)trans-98.7118.8171.7-164.3-164-173.1179.90109.7A345 E346 P396 Y397A345-K359 CarbonylContact C-O 3.59Å; A345-K359 WeakPolarHBondContact CA-O 3.38Å; A345-K359 VanDerWaalsContact CB-O 3.27Å; A345-K359 WeakPolarHBondContact CB-O 3.22Å; E346-K359 HydrophobicContact CG-CB 3.81Å; E346-K359 HydrophobicContact CG-CD 3.91Å; E346-K359 HydrophobicContact CG-CG 4.49Å; E346-K359 PolarHBondContact N-O 3.4Å; E346-K359 PolarHBondContact O-N 3.4Å; E346-K359 WeakPolarHBondContact OE1-CD 3.11Å; E346-K359 IonicContact OE1-NZ 2.91Å; E346-K359 PolarHBondContact OE1-NZ 3.29Å; K359-P396 HydrophobicContact CG-CB 4.2Å; K359-P396 HydrophobicContact CG-CG 4.04Å; K359-Y397 HydrophobicContact CB-CD1 3.67Å; K359-Y397 HydrophobicContact CB-CE1 3.39Å; K359-Y397 HydrophobicContact CB-CG 4.4Å; K359-Y397 HydrophobicContact CD-CE1 4.12Å; K359-Y397 HydrophobicContact CD-CE2 4.32Å; K359-Y397 WeakPolarHBondContact CD-OH 3.48Å; K359-Y397 HydrophobicContact CG-CD1 4.02Å; K359-Y397 HydrophobicContact CG-CD2 4.31Å; K359-Y397 HydrophobicContact CG-CE1 3.65Å; K359-Y397 HydrophobicContact CG-CE2 3.9Å; K359-Y397 HydrophobicContact CG-CG 4.35Å
360V98.8Very high97.9Very high3 Ų335.4 Ų35.42%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-80.3134.3177.6-178.70000109.7I363 V366 P396 L398 I421V360-I363 HydrophobicContact CG1-CB 4.13Å; V360-I363 HydrophobicContact CG1-CD1 3.85Å; V360-I363 HydrophobicContact CG1-CG1 4.16Å; V360-V366 HydrophobicContact CB-CG1 4.08Å; V360-V366 HydrophobicContact CG2-CG1 3.88Å; V360-P396 PolarHBondContact N-O 3.05Å; V360-L398 HydrophobicContact CG2-CD1 4.06Å; V360-I421 HydrophobicContact CG1-CD1 3.74Å; V360-I421 HydrophobicContact CG1-CG1 3.74Å; V360-I421 HydrophobicContact CG1-CG2 4Å; V360-I421 HydrophobicContact CG2-CD1 4.13Å
361K98.5Very high97.8Very high91 Ų9139.9 Ų39.940%0.39621%0.213SC..SBendtrans-84.6143.9179.3-62.2-175.8-179-174.70110.6L344 E346 I363L344-K361 WeakPolarHBondContact O-CB 3.37Å; L344-K361 PolarHBondContact O-N 3.35Å; E346-K361 WeakPolarHBondContact OE2-CE 3.43Å; E346-K361 IonicContact OE2-NZ 3.34Å; K361-I363 PolarHBondContact O-N 2.79Å
362G97.4Very high97.7Very high70 Ų7043.8 Ų43.872%0.72223%0.226SC*.SBendtrans72.60.5174.300000116
363I97.4Very high97.6Very high23 Ų2347.5 Ų47.512%0.11824%0.242CC..  trans-118127.4176.3-61.6-179000108.6V360 K361 D365 V366 L369 P396 I421 L425V360-I363 HydrophobicContact CG1-CB 4.13Å; V360-I363 HydrophobicContact CG1-CD1 3.85Å; V360-I363 HydrophobicContact CG1-CG1 4.16Å; K361-I363 PolarHBondContact O-N 2.79Å; I363-D365 VanDerWaalsContact CG2-O 3.23Å; I363-D365 WeakPolarHBondContact CG2-O 3.43Å; I363-V366 HydrophobicContact CG2-CG1 4.47Å; I363-L369 HydrophobicContact CD1-CD2 3.96Å; I363-P396 WeakPolarHBondContact O-CB 3.37Å; I363-I421 HydrophobicContact CD1-CG2 4.43Å; I363-L425 HydrophobicContact CG1-CD2 4.2Å
364N97.4Very high97.5Very high136 Ų13647.5 Ų47.573%0.72724%0.242SC*.SBendtrans-77.3-38.1-178.7-68.7-25.6000112.7S395N364-S395 CarbonylContact O-C 3.51Å; N364-S395 VanDerWaalsContact O-C 3.27Å; N364-S395 PolarHBondContact O-N 2.78Å
365D98.3Very high97.3Very high56 Ų5650.3 Ų50.330%0.29926%0.26SS..  trans-138.7126.9-179.3-168.328.3000110.8I363 N385 P394 S395I363-D365 VanDerWaalsContact CG2-O 3.23Å; I363-D365 WeakPolarHBondContact CG2-O 3.43Å; D365-N385 PolarHBondContact OD1-ND2 2.85Å; D365-P394 HydrophobicContact CB-CB 3.78Å; D365-S395 WeakPolarHBondContact CA-O 3.37Å; D365-S395 PolarHBondContact OD1-N 3.48Å
366V98.1Very high97.2Very high0 Ų057.9 Ų57.90%029%0.293CS..  trans-89.7-6.2-175.5-60.20000113.2V360 I363 E368 L369 I370 P383 S395 P396 Y397 L398V360-V366 HydrophobicContact CB-CG1 4.08Å; V360-V366 HydrophobicContact CG2-CG1 3.88Å; I363-V366 HydrophobicContact CG2-CG1 4.47Å; V366-E368 PolarHBondContact O-N 3.34Å; V366-L369 WeakPolarHBondContact O-CB 3.34Å; V366-L369 PolarHBondContact O-N 3.38Å; V366-I370 WeakPolarHBondContact O-CG1 3.35Å; V366-I370 PolarHBondContact O-N 2.9Å; V366-P383 HydrophobicContact CG2-CB 4.11Å; V366-S395 WeakPolarHBondContact CG2-O 3.42Å; V366-S395 PolarHBondContact N-O 3.21Å; V366-S395 VanDerWaalsContact N-O 3.08Å; V366-P396 WeakPolarHBondContact CG1-O 3.42Å; V366-Y397 VanDerWaalsContact CG2-O 3.22Å; V366-Y397 WeakPolarHBondContact CG2-O 3.4Å; V366-L398 HydrophobicContact CB-CD2 3.9Å; V366-L398 HydrophobicContact CB-CG 4.18Å; V366-L398 HydrophobicContact CG1-CG 4.31Å; V366-L398 HydrophobicContact CG2-CD2 3.38Å; V366-L398 HydrophobicContact CG2-CG 3.89Å
367K96.4Very high97.1Very high89 Ų8961.5 Ų61.539%0.38731%0.311SS..Hα-helixtrans-57.8-50.9-172.8-172.2-179.2167.668.60112.3I370 E371 P383K367-I370 PolarHBondContact O-N 3.05Å; K367-E371 VanDerWaalsContact CE-OE2 3.27Å; K367-E371 WeakPolarHBondContact CE-OE2 3.32Å; K367-E371 HydrophobicContact CG-CG 4.32Å; K367-E371 IonicContact NZ-OE1 2.93Å; K367-E371 PolarHBondContact NZ-OE1 2.98Å; K367-E371 IonicContact NZ-OE2 3.84Å; K367-E371 PolarHBondContact NZ-OE2 3.08Å; K367-E371 WeakPolarHBondContact O-CB 3.29Å; K367-E371 PolarHBondContact O-N 3.2Å; K367-P383 HydrophobicContact CB-CB 4.41Å
368E94.1Very high97Very high114 Ų11464 Ų6453%0.53334%0.343SS..Hα-helixtrans-62-45.4178.1-171.5-169.1147.100111.7V366 I370 E372V366-E368 PolarHBondContact O-N 3.34Å; E368-I370 PolarHBondContact O-N 3.37Å; E368-E372 HydrophobicContact CG-CG 4.45Å; E368-E372 WeakPolarHBondContact O-CB 3.43Å; E368-E372 PolarHBondContact O-N 3.34Å; E368-E372 VanDerWaalsContact O-N 3.12Å
369L95.6Very high96.9Very high8 Ų864.8 Ų64.84%0.04235%0.348CS..Iπ-helixtrans-54.2-40.7177.6-172.370.5000111.5I363 V366 K373 A374 L417 L420 I421 S424I363-L369 HydrophobicContact CD1-CD2 3.96Å; V366-L369 WeakPolarHBondContact O-CB 3.34Å; V366-L369 PolarHBondContact O-N 3.38Å; L369-K373 HydrophobicContact CD1-CD 4.19Å; L369-K373 WeakPolarHBondContact O-CB 3.36Å; L369-A374 PolarHBondContact O-N 3.32Å; L369-L417 HydrophobicContact CD2-CD1 4.31Å; L369-L420 HydrophobicContact CD1-CB 3.74Å; L369-L420 HydrophobicContact CG-CB 4.33Å; L369-I421 HydrophobicContact CD2-CG1 4.08Å; L369-S424 WeakPolarHBondContact CD1-OG 3.5Å
370I97.3Very high96.8Very high0 Ų067.9 Ų67.90%037%0.367CS..Iπ-helixtrans-83.9-59.3-178-64.3-55.1000112.4V366 K367 E368 E372 A374 V375 L380 M381 P383 L398 L417V366-I370 WeakPolarHBondContact O-CG1 3.35Å; V366-I370 PolarHBondContact O-N 2.9Å; K367-I370 PolarHBondContact O-N 3.05Å; E368-I370 PolarHBondContact O-N 3.37Å; I370-E372 VanDerWaalsContact C-N 3.27Å; I370-E372 PolarHBondContact O-N 3.01Å; I370-A374 HydrophobicContact CD1-CB 4.07Å; I370-A374 WeakPolarHBondContact O-CB 3.32Å; I370-A374 PolarHBondContact O-N 2.98Å; I370-V375 WeakPolarHBondContact O-CG2 3.41Å; I370-V375 PolarHBondContact O-N 3.3Å; I370-L380 HydrophobicContact CG2-CD1 3.99Å; I370-M381 HydrophobicContact CD1-CB 4.35Å; I370-M381 VanDerWaalsContact CG2-O 3.27Å; I370-M381 WeakPolarHBondContact CG2-O 3.39Å; I370-P383 HydrophobicContact CB-CG 4.19Å; I370-P383 HydrophobicContact CG1-CG 4.49Å; I370-P383 HydrophobicContact CG2-CG 4.26Å; I370-L398 HydrophobicContact CD1-CD1 3.92Å; I370-L398 HydrophobicContact CD1-CD2 3.79Å; I370-L398 HydrophobicContact CG1-CD1 4.38Å; I370-L398 HydrophobicContact CG1-CD2 3.39Å; I370-L417 HydrophobicContact CD1-CD1 4.27Å
371E96.3Very high96.8Very high95 Ų9568.6 Ų68.644%0.44437%0.371SS..Iπ-helixtrans-70.8-25.3-167.2-66.5179.5-174.100112K367 P383K367-E371 VanDerWaalsContact CE-OE2 3.27Å; K367-E371 WeakPolarHBondContact CE-OE2 3.32Å; K367-E371 HydrophobicContact CG-CG 4.32Å; K367-E371 IonicContact NZ-OE1 2.93Å; K367-E371 PolarHBondContact NZ-OE1 2.98Å; K367-E371 IonicContact NZ-OE2 3.84Å; K367-E371 PolarHBondContact NZ-OE2 3.08Å; K367-E371 WeakPolarHBondContact O-CB 3.29Å; K367-E371 PolarHBondContact O-N 3.2Å; E371-P383 HydrophobicContact CG-CG 4.45Å
372E95.1Very high96.8Very high112 Ų11267.4 Ų67.452%0.52337%0.368SS..Iπ-helixtrans-108.7-36.5-178.3-56.6-167.6-169.200114.5E368 I370 K376E368-E372 HydrophobicContact CG-CG 4.45Å; E368-E372 WeakPolarHBondContact O-CB 3.43Å; E368-E372 PolarHBondContact O-N 3.34Å; E368-E372 VanDerWaalsContact O-N 3.12Å; I370-E372 VanDerWaalsContact C-N 3.27Å; I370-E372 PolarHBondContact O-N 3.01Å; E372-K376 WeakPolarHBondContact O-CD 3.3Å; E372-K376 WeakPolarHBondContact O-CE 3.32Å; E372-K376 WeakPolarHBondContact O-CG 3.48Å; E372-K376 PolarHBondContact O-NZ 3.27Å
373K96.8Very high96.9Very high78 Ų7864.4 Ų64.434%0.33934%0.336SS..Iπ-helixtrans-98.8-55.4-176.6-51.8-178.1-176.8177.60112.2L369 V375 K376 M377 L420 S424L369-K373 HydrophobicContact CD1-CD 4.19Å; L369-K373 WeakPolarHBondContact O-CB 3.36Å; K373-V375 VanDerWaalsContact C-N 3.34Å; K373-V375 PolarHBondContact O-N 3.25Å; K373-K376 WeakPolarHBondContact O-CB 3.45Å; K373-K376 PolarHBondContact O-N 2.87Å; K373-K376 VanDerWaalsContact O-N 3.11Å; K373-M377 PolarHBondContact O-N 3.46Å; K373-L420 HydrophobicContact CB-CD1 4.4Å; K373-L420 HydrophobicContact CB-CD2 3.77Å; K373-L420 HydrophobicContact CD-CD2 4.35Å; K373-S424 PolarHBondContact NZ-OG 3.32Å; K373-S424 VanDerWaalsContact NZ-OG 3.16Å
374A96.3Very high96.9Very high2 Ų263.3 Ų63.32%0.01733%0.33CS..Iπ-helixtrans-61.3-39.7-176.100000113.1L369 I370 K376 M377 G378 V379 L420L369-A374 PolarHBondContact O-N 3.32Å; I370-A374 HydrophobicContact CD1-CB 4.07Å; I370-A374 WeakPolarHBondContact O-CB 3.32Å; I370-A374 PolarHBondContact O-N 2.98Å; A374-K376 VanDerWaalsContact C-N 3.27Å; A374-K376 PolarHBondContact O-N 3.41Å; A374-M377 CarbonylContact O-C 3.54Å; A374-M377 WeakPolarHBondContact O-CA 3.25Å; A374-M377 PolarHBondContact O-N 3.39Å; A374-G378 PolarHBondContact O-N 2.72Å; A374-G378 VanDerWaalsContact O-N 3.16Å; A374-V379 CarbonylContact C-O 3.59Å; A374-V379 WeakPolarHBondContact CB-O 3.2Å; A374-V379 PolarHBondContact O-N 3.31Å; A374-V379 VanDerWaalsContact O-O 3.05Å; A374-L420 HydrophobicContact CB-CD1 3.7Å
375V95.9Very high97Very high79 Ų7957.4 Ų57.448%0.47930%0.299SS..G310 helixtrans-58.8-38.2176.7171.40000111.9I370 K373 M377 G378 V379 L380I370-V375 WeakPolarHBondContact O-CG2 3.41Å; I370-V375 PolarHBondContact O-N 3.3Å; K373-V375 VanDerWaalsContact C-N 3.34Å; K373-V375 PolarHBondContact O-N 3.25Å; V375-M377 PolarHBondContact O-N 2.94Å; V375-G378 PolarHBondContact O-N 3.46Å; V375-G378 VanDerWaalsContact O-N 3.1Å; V375-V379 PolarHBondContact N-O 2.91Å; V375-L380 HydrophobicContact CG2-CD1 3.89Å
376K96.6Very high96.9Very high173 Ų17357 Ų5775%0.75230%0.303SS*.G310 helixtrans-67.9-22.6176.3-66.9175.3-173.6153.30112.7E372 K373 A374E372-K376 WeakPolarHBondContact O-CD 3.3Å; E372-K376 WeakPolarHBondContact O-CE 3.32Å; E372-K376 WeakPolarHBondContact O-CG 3.48Å; E372-K376 PolarHBondContact O-NZ 3.27Å; K373-K376 WeakPolarHBondContact O-CB 3.45Å; K373-K376 PolarHBondContact O-N 2.87Å; K373-K376 VanDerWaalsContact O-N 3.11Å; A374-K376 VanDerWaalsContact C-N 3.27Å; A374-K376 PolarHBondContact O-N 3.41Å
377M96.1Very high97Very high76 Ų7657.1 Ų57.137%0.37430%0.304SS..G310 helixtrans-95.78.6175.1-60.7-172.472.600112.9K373 A374 V375 V416 L420K373-M377 PolarHBondContact O-N 3.46Å; A374-M377 CarbonylContact O-C 3.54Å; A374-M377 WeakPolarHBondContact O-CA 3.25Å; A374-M377 PolarHBondContact O-N 3.39Å; V375-M377 PolarHBondContact O-N 2.94Å; M377-V416 HydrophobicContact CB-CG1 3.65Å; M377-V416 HydrophobicContact CE-CG1 4Å; M377-V416 HydrophobicContact CE-CG2 4.41Å; M377-V416 HydrophobicContact CG-CG1 4.4Å; M377-V416 HydrophobicContact SD-CG1 3.93Å; M377-L420 HydrophobicContact SD-CD1 4.07Å; M377-L420 HydrophobicContact SD-CD2 3.65Å; M377-L420 HydrophobicContact SD-CG 3.84Å
378G96.1Very high97.1Very high73 Ų7355.7 Ų55.775%0.75330%0.296SS*.THydrogen-bonded Turntrans77.817.1176.200000115A374 V375A374-G378 PolarHBondContact O-N 2.72Å; A374-G378 VanDerWaalsContact O-N 3.16Å; V375-G378 PolarHBondContact O-N 3.46Å; V375-G378 VanDerWaalsContact O-N 3.1Å
379V97.4Very high97.2Very high16 Ų1654 Ų5410%0.09729%0.29CS..  trans-118.4134.5179.4176.70000110.3A374 V375 A413 V416A374-V379 CarbonylContact C-O 3.59Å; A374-V379 WeakPolarHBondContact CB-O 3.2Å; A374-V379 PolarHBondContact O-N 3.31Å; A374-V379 VanDerWaalsContact O-O 3.05Å; V375-V379 PolarHBondContact N-O 2.91Å; V379-A413 HydrophobicContact CG1-CB 4.08Å; V379-A413 HydrophobicContact CG2-CB 4.42Å; V379-V416 HydrophobicContact CB-CG1 4.14Å; V379-V416 HydrophobicContact CG2-CB 3.81Å; V379-V416 HydrophobicContact CG2-CG1 3.78Å; V379-V416 HydrophobicContact CG2-CG2 4.04Å
380L97.9Very high97.3Very high132 Ų13257.8 Ų57.869%0.69131%0.31SS*.  trans-131.7129.4174.7-176.165.7000110.3I370 V375I370-L380 HydrophobicContact CG2-CD1 3.99Å; V375-L380 HydrophobicContact CG2-CD1 3.89Å
381M98.1Very high97.3Very high18 Ų1861.1 Ų61.19%0.08933%0.333CS..  trans-129.1171168.8-59.3177.677.700107.5I358 I370 P383 L398 A400 F414 L417I358-M381 HydrophobicContact CD1-CE 3.76Å; I370-M381 HydrophobicContact CD1-CB 4.35Å; I370-M381 VanDerWaalsContact CG2-O 3.27Å; I370-M381 WeakPolarHBondContact CG2-O 3.39Å; M381-P383 WeakPolarHBondContact O-CD 3.49Å; M381-L398 HydrophobicContact CB-CD2 4.32Å; M381-L398 HydrophobicContact CE-CB 4.3Å; M381-L398 HydrophobicContact CE-CD1 4.49Å; M381-L398 HydrophobicContact SD-CD1 4.18Å; M381-A400 HydrophobicContact CE-CB 3.35Å; M381-F414 HydrophobicContact CE-CD1 4.49Å; M381-F414 HydrophobicContact CE-CE1 3.63Å; M381-F414 HydrophobicContact CE-CZ 4.48Å; M381-F414 HydrophobicContact SD-CE1 4.25Å; M381-L417 HydrophobicContact CE-CD2 4.36Å; M381-L417 HydrophobicContact SD-CD2 3.76Å
382L98.4Very high97.3Very high66 Ų6661.4 Ų61.435%0.34635%0.346SS..EExtended strand (participates in β ladder)trans-104.3117.9-175.9-172.962.7000111.1F387 L398 R399L382-F387 HydrophobicContact CD2-CE2 3.78Å; L382-F387 HydrophobicContact CD2-CZ 3.5Å; L382-F387 HydrophobicContact CG-CE2 4.13Å; L382-F387 HydrophobicContact CG-CZ 4.34Å; L382-L398 WeakPolarHBondContact O-CA 3.31Å; L382-R399 HydrophobicContact CB-CB 4.27Å; L382-R399 VanDerWaalsContact CD2-NH2 3.31Å; L382-R399 PolarHBondContact N-O 3.5Å; L382-R399 PolarHBondContact O-N 3.29Å
383P98.6Very high97.5Very high7 Ų757.9 Ų57.95%0.04534%0.336CS..EExtended strand (participates in β ladder)trans-56.3142.3172.5-26.736.5000112.6V366 K367 I370 E371 M381 N385V366-P383 HydrophobicContact CG2-CB 4.11Å; K367-P383 HydrophobicContact CB-CB 4.41Å; I370-P383 HydrophobicContact CB-CG 4.19Å; I370-P383 HydrophobicContact CG1-CG 4.49Å; I370-P383 HydrophobicContact CG2-CG 4.26Å; E371-P383 HydrophobicContact CG-CG 4.45Å; M381-P383 WeakPolarHBondContact O-CD 3.49Å; P383-N385 VanDerWaalsContact C-N 3.28Å; P383-N385 WeakPolarHBondContact CB-OD1 3.4Å; P383-N385 PolarHBondContact O-N 3.4Å
384G98.6Very high97.6Very high0 Ų058.3 Ų58.30%035%0.347CS..G310 helixtrans-74.7-14.2-170.500000115.6A386 F387 Y388 S395 Y397G384-A386 PolarHBondContact O-N 3.45Å; G384-A386 VanDerWaalsContact O-N 3.14Å; G384-F387 WeakPolarHBondContact O-CD2 3.39Å; G384-F387 PolarHBondContact O-N 2.93Å; G384-F387 VanDerWaalsContact O-N 3.11Å; G384-Y388 VanDerWaalsContact O-CD2 3.27Å; G384-Y388 WeakPolarHBondContact O-CD2 3.37Å; G384-Y388 WeakPolarHBondContact O-CE2 3.49Å; G384-S395 WeakPolarHBondContact CA-OG 3.31Å; G384-Y397 WeakPolarHBondContact CA-O 3.49Å; G384-Y397 PolarHBondContact N-O 3.49Å
385N98.5Very high97.7Very high12 Ų1258.4 Ų58.46%0.06435%0.348CS..G310 helixtrans-56.9-35.9-173.9-38.571.1000111.8D365 P383 F387 Y388 S391 A393 S395D365-N385 PolarHBondContact OD1-ND2 2.85Å; P383-N385 VanDerWaalsContact C-N 3.28Å; P383-N385 WeakPolarHBondContact CB-OD1 3.4Å; P383-N385 PolarHBondContact O-N 3.4Å; N385-F387 PolarHBondContact O-N 3.29Å; N385-Y388 PolarHBondContact O-N 3.37Å; N385-S391 WeakPolarHBondContact CB-O 3.46Å; N385-S391 WeakPolarHBondContact O-CA 3.36Å; N385-S391 WeakPolarHBondContact O-CB 3.43Å; N385-A393 PolarHBondContact ND2-O 3.44Å; N385-S395 PolarHBondContact ND2-N 2.89Å
386A97.5Very high97.8Very high48 Ų4856.2 Ų56.240%0.39734%0.335SS..G310 helixtrans-66.6-9.9-177.100000115S143 G384S143-A386 WeakPolarHBondContact CB-O 3.45Å; G384-A386 PolarHBondContact O-N 3.45Å; G384-A386 VanDerWaalsContact O-N 3.14Å
387F98.7Very high97.9Very high1 Ų150.8 Ų50.80%0.00431%0.31CS..G310 helixtrans-101.18.2-178.4-56.6-82.9000113.5P140 A141 N202 P203 W357 L382 G384 N385 R399P140-F387 CarbonylContact C-O 3.56Å; P140-F387 VanDerWaalsContact CA-O 3.25Å; P140-F387 WeakPolarHBondContact CA-O 3.46Å; P140-F387 HydrophobicContact CB-CB 3.62Å; A141-F387 PolarHBondContact N-O 3.34Å; A141-F387 WeakPolarHBondContact O-CA 3.47Å; A141-F387 WeakPolarHBondContact O-CB 3.15Å; A141-F387 WeakPolarHBondContact O-CD1 3.35Å; N202-F387 WeakPolarHBondContact OD1-CE1 3.41Å; P203-F387 HydrophobicContact CB-CD1 3.91Å; P203-F387 HydrophobicContact CB-CD2 4.03Å; P203-F387 HydrophobicContact CB-CE1 3.87Å; P203-F387 HydrophobicContact CB-CE2 3.99Å; P203-F387 HydrophobicContact CB-CG 3.99Å; P203-F387 HydrophobicContact CB-CZ 3.9Å; P203-F387 HydrophobicContact CG-CB 3.87Å; P203-F387 HydrophobicContact CG-CD1 3.79Å; P203-F387 HydrophobicContact CG-CD2 3.88Å; P203-F387 HydrophobicContact CG-CE1 4.28Å; P203-F387 HydrophobicContact CG-CE2 4.36Å; P203-F387 HydrophobicContact CG-CG 3.57Å; W357-F387 AromaticContact CH2-CD2 3.93Å; W357-F387 HydrophobicContact CH2-CD2 3.93Å; W357-F387 HydrophobicContact CH2-CE2 4.46Å; W357-F387 HydrophobicContact CZ3-CD2 4.18Å; W357-F387 HydrophobicContact CZ3-CE2 4.26Å; L382-F387 HydrophobicContact CD2-CE2 3.78Å; L382-F387 HydrophobicContact CD2-CZ 3.5Å; L382-F387 HydrophobicContact CG-CE2 4.13Å; L382-F387 HydrophobicContact CG-CZ 4.34Å; G384-F387 WeakPolarHBondContact O-CD2 3.39Å; G384-F387 PolarHBondContact O-N 2.93Å; G384-F387 VanDerWaalsContact O-N 3.11Å; N385-F387 PolarHBondContact O-N 3.29Å; F387-R399 HydrophobicContact CE2-CB 4.25Å; F387-R399 HydrophobicContact CZ-CB 4.39Å
388Y98.6Very high98Very high60 Ų6047.2 Ų47.224%0.23529%0.292CS..SBendtrans-117154.1175.2-60.7-89.9000110.1E139 P140 G384 N385E139-Y388 HydrophobicContact CB-CD1 3.9Å; E139-Y388 HydrophobicContact CB-CE1 4.17Å; E139-Y388 HydrophobicContact CG-CD1 4.49Å; E139-Y388 WeakPolarHBondContact OE1-CA 3.36Å; P140-Y388 HydrophobicContact CB-CD1 4.49Å; P140-Y388 HydrophobicContact CB-CE1 3.98Å; P140-Y388 HydrophobicContact CB-CE2 4.04Å; G384-Y388 VanDerWaalsContact O-CD2 3.27Å; G384-Y388 WeakPolarHBondContact O-CD2 3.37Å; G384-Y388 WeakPolarHBondContact O-CE2 3.49Å; N385-Y388 PolarHBondContact O-N 3.37Å
389I97.3Very high98.2Very high77 Ų7746.1 Ų46.140%0.39527%0.265SS..SBendtrans-59.9-49.8175.7-62.5154.2000109.1E139 L146 I156 S391E139-I389 HydrophobicContact CG-CD1 4.23Å; E139-I389 WeakPolarHBondContact OE1-CB 3.23Å; E139-I389 VanDerWaalsContact OE1-CD1 3.28Å; E139-I389 WeakPolarHBondContact OE1-CD1 3.3Å; E139-I389 WeakPolarHBondContact OE1-CG1 3.49Å; E139-I389 PolarHBondContact OE1-N 3.13Å; L146-I389 HydrophobicContact CD2-CG1 4.04Å; I156-I389 HydrophobicContact CB-CD1 3.74Å; I156-I389 HydrophobicContact CB-CG1 4.33Å; I156-I389 HydrophobicContact CD1-CG1 4.18Å; I156-I389 HydrophobicContact CG2-CD1 3.38Å; I156-I389 HydrophobicContact CG2-CG1 4.08Å; I389-S391 PolarHBondContact O-N 3.31Å
390D97.8Very high98.2Very high89 Ų8945.7 Ų45.748%0.47626%0.263SS..SBendtrans-8686.8167.8-177.15.3000109.6S392 A393D390-S392 PolarHBondContact O-N 2.91Å; D390-S392 WeakPolarHBondContact OD1-CB 3.43Å; D390-S392 PolarHBondContact OD1-N 3.45Å; D390-S392 PolarHBondContact OD1-OG 2.95Å; D390-A393 HydrophobicContact CB-CB 4.46Å; D390-A393 WeakPolarHBondContact O-CB 3.38Å; D390-A393 PolarHBondContact O-N 3.37Å; D390-A393 PolarHBondContact OD1-N 3.14Å
391S96.4Very high98.3Very high69 Ų6941.9 Ų41.948%0.48325%0.248SC..THydrogen-bonded Turntrans-76.4-0.5177.763.60000114N385 I389N385-S391 WeakPolarHBondContact CB-O 3.46Å; N385-S391 WeakPolarHBondContact O-CA 3.36Å; N385-S391 WeakPolarHBondContact O-CB 3.43Å; I389-S391 PolarHBondContact O-N 3.31Å
392S97.6Very high98.3Very high102 Ų10241 Ų4171%0.71324%0.244SC*.THydrogen-bonded Turntrans-89.4-19.1172.577.40000112.8D390D390-S392 PolarHBondContact O-N 2.91Å; D390-S392 WeakPolarHBondContact OD1-CB 3.43Å; D390-S392 PolarHBondContact OD1-N 3.45Å; D390-S392 PolarHBondContact OD1-OG 2.95Å
393A98Very high98.3Very high37 Ų3739.1 Ų39.131%0.30624%0.236SC..SBendtrans-61.1140.917600000111N385 D390N385-A393 PolarHBondContact ND2-O 3.44Å; D390-A393 HydrophobicContact CB-CB 4.46Å; D390-A393 WeakPolarHBondContact O-CB 3.38Å; D390-A393 PolarHBondContact O-N 3.37Å; D390-A393 PolarHBondContact OD1-N 3.14Å
394P98.3Very high98.2Very high88 Ų8843.4 Ų43.457%0.57127%0.266SS*.  trans-63139.2176.627.3-34.6000110.3D365D365-P394 HydrophobicContact CB-CB 3.78Å
395S98.6Very high98.2Very high4 Ų444.8 Ų44.83%0.02828%0.277CS..  trans-129.5119.5-179.4167.40000110.8N364 D365 V366 G384 N385 Y397N364-S395 CarbonylContact O-C 3.51Å; N364-S395 VanDerWaalsContact O-C 3.27Å; N364-S395 PolarHBondContact O-N 2.78Å; D365-S395 WeakPolarHBondContact CA-O 3.37Å; D365-S395 PolarHBondContact OD1-N 3.48Å; V366-S395 WeakPolarHBondContact CG2-O 3.42Å; V366-S395 PolarHBondContact N-O 3.21Å; V366-S395 VanDerWaalsContact N-O 3.08Å; G384-S395 WeakPolarHBondContact CA-OG 3.31Å; N385-S395 PolarHBondContact ND2-N 2.89Å; S395-Y397 PolarHBondContact O-N 2.94Å; S395-Y397 PolarHBondContact OG-N 3.44Å
396P98.6Very high98.2Very high32 Ų3246 Ų4621%0.20829%0.287CS..  trans-76.23.8173.732.8-36.8000112.9K359 V360 I363 V366K359-P396 HydrophobicContact CG-CB 4.2Å; K359-P396 HydrophobicContact CG-CG 4.04Å; V360-P396 PolarHBondContact N-O 3.05Å; I363-P396 WeakPolarHBondContact O-CB 3.37Å; V366-P396 WeakPolarHBondContact CG1-O 3.42Å
397Y98.9Very high98.2Very high60 Ų6046.9 Ų46.924%0.23529%0.289CS..EExtended strand (participates in β ladder)trans-101.9146.5-170.9-70.2-90.1000114.9W357 I358 K359 V366 G384 S395W357-Y397 AromaticContact CD1-CD1 3.55Å; W357-Y397 AromaticContact CD1-CE1 3.74Å; W357-Y397 AromaticContact CD2-CD1 3.99Å; W357-Y397 HydrophobicContact CD2-CD1 3.99Å; W357-Y397 HydrophobicContact CD2-CG 4.41Å; W357-Y397 AromaticContact CE2-CD1 3.38Å; W357-Y397 AromaticContact CE2-CG 3.57Å; W357-Y397 HydrophobicContact CG-CD1 4.12Å; W357-Y397 HydrophobicContact CH2-CG 4.4Å; W357-Y397 AromaticContact CZ2-CD1 3.93Å; W357-Y397 HydrophobicContact CZ2-CD1 3.93Å; W357-Y397 HydrophobicContact CZ2-CD2 4.3Å; W357-Y397 AromaticContact CZ2-CG 3.59Å; W357-Y397 HydrophobicContact CZ2-CG 3.59Å; W357-Y397 AromaticContact NE1-CD1 3.04Å; W357-Y397 AromaticContact NE1-CE1 3.37Å; W357-Y397 AromaticContact NE1-CG 3.61Å; I358-Y397 CarbonylContact O-C 3.57Å; I358-Y397 VanDerWaalsContact O-CA 3.23Å; I358-Y397 WeakPolarHBondContact O-CA 3.44Å; K359-Y397 HydrophobicContact CB-CD1 3.67Å; K359-Y397 HydrophobicContact CB-CE1 3.39Å; K359-Y397 HydrophobicContact CB-CG 4.4Å; K359-Y397 HydrophobicContact CD-CE1 4.12Å; K359-Y397 HydrophobicContact CD-CE2 4.32Å; K359-Y397 WeakPolarHBondContact CD-OH 3.48Å; K359-Y397 HydrophobicContact CG-CD1 4.02Å; K359-Y397 HydrophobicContact CG-CD2 4.31Å; K359-Y397 HydrophobicContact CG-CE1 3.65Å; K359-Y397 HydrophobicContact CG-CE2 3.9Å; K359-Y397 HydrophobicContact CG-CG 4.35Å; V366-Y397 VanDerWaalsContact CG2-O 3.22Å; V366-Y397 WeakPolarHBondContact CG2-O 3.4Å; G384-Y397 WeakPolarHBondContact CA-O 3.49Å; G384-Y397 PolarHBondContact N-O 3.49Å; S395-Y397 PolarHBondContact O-N 2.94Å; S395-Y397 PolarHBondContact OG-N 3.44Å
398L98.9Very high98.2Very high0 Ų053.1 Ų53.10%032%0.318CS..EExtended strand (participates in β ladder)trans-124.5138.1172.7-66171.2000111.2W357 I358 V360 V366 I370 M381 L382 L417W357-L398 VanDerWaalsContact CZ3-C 3.5Å; I358-L398 PolarHBondContact N-O 3.45Å; I358-L398 PolarHBondContact O-N 3.1Å; V360-L398 HydrophobicContact CG2-CD1 4.06Å; V366-L398 HydrophobicContact CB-CD2 3.9Å; V366-L398 HydrophobicContact CB-CG 4.18Å; V366-L398 HydrophobicContact CG1-CG 4.31Å; V366-L398 HydrophobicContact CG2-CD2 3.38Å; V366-L398 HydrophobicContact CG2-CG 3.89Å; I370-L398 HydrophobicContact CD1-CD1 3.92Å; I370-L398 HydrophobicContact CD1-CD2 3.79Å; I370-L398 HydrophobicContact CG1-CD1 4.38Å; I370-L398 HydrophobicContact CG1-CD2 3.39Å; M381-L398 HydrophobicContact CB-CD2 4.32Å; M381-L398 HydrophobicContact CE-CB 4.3Å; M381-L398 HydrophobicContact CE-CD1 4.49Å; M381-L398 HydrophobicContact SD-CD1 4.18Å; L382-L398 WeakPolarHBondContact O-CA 3.31Å; L398-L417 HydrophobicContact CD1-CD1 3.9Å; L398-L417 HydrophobicContact CD1-CD2 4.05Å
399R98.9Very high98.2Very high50 Ų5055.9 Ų55.919%0.18933%0.333CS..EExtended strand (participates in β ladder)trans-95.1119.4165.7-163.5-171.672.2-171.8-3.7110N202 P203 F355 W357 L382 F387N202-R399 PolarHBondContact ND2-NH1 2.78Å; N202-R399 WeakPolarHBondContact OD1-CD 3.49Å; N202-R399 PolarHBondContact OD1-NH1 2.88Å; P203-R399 HydrophobicContact CB-CB 4.15Å; P203-R399 HydrophobicContact CB-CG 3.83Å; F355-R399 HydrophobicContact CB-CG 3.83Å; F355-R399 HydrophobicContact CD1-CG 3.93Å; F355-R399 HydrophobicContact CG-CG 3.9Å; W357-R399 HydrophobicContact CE3-CB 3.83Å; W357-R399 HydrophobicContact CE3-CG 4.38Å; W357-R399 HydrophobicContact CZ3-CB 3.75Å; L382-R399 HydrophobicContact CB-CB 4.27Å; L382-R399 VanDerWaalsContact CD2-NH2 3.31Å; L382-R399 PolarHBondContact N-O 3.5Å; L382-R399 PolarHBondContact O-N 3.29Å; F387-R399 HydrophobicContact CE2-CB 4.25Å; F387-R399 HydrophobicContact CZ-CB 4.39Å
400A98.8Very high98.3Very high7 Ų752.5 Ų52.56%0.05832%0.315CS..EExtended strand (participates in β ladder)trans-101.9131.7170.900000110I333 F355 L356 I358 M381 F414I333-A400 HydrophobicContact CD1-CB 3.82Å; F355-A400 CarbonylContact C-O 3.55Å; F355-A400 VanDerWaalsContact CA-O 3.3Å; F355-A400 WeakPolarHBondContact CA-O 3.49Å; L356-A400 HydrophobicContact CB-CB 4.3Å; L356-A400 PolarHBondContact N-O 3.24Å; L356-A400 PolarHBondContact O-N 2.8Å; I358-A400 HydrophobicContact CD1-CB 4.07Å; M381-A400 HydrophobicContact CE-CB 3.35Å; A400-F414 HydrophobicContact CB-CZ 4.4Å
401S98.8Very high98.3Very high52 Ų5250.2 Ų50.236%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-92.6131.3172.5-171.10000110.3S403S401-S403 PolarHBondContact OG-N 3.22Å; S401-S403 PolarHBondContact OG-OG 3.09Å; S401-S403 VanDerWaalsContact OG-OG 3.06Å
402F98.7Very high98.4Very high0 Ų051.8 Ų51.80%030%0.304CS..  trans-103.711.6170.456.7-100.3000112.7F238 Y326 Q329 K330 I333 P350 M354 F355 S404 M410F238-F402 HydrophobicContact CE2-CZ 4.17Å; F238-F402 AromaticContact CZ-CE2 3.94Å; F238-F402 HydrophobicContact CZ-CE2 3.94Å; F238-F402 AromaticContact CZ-CZ 3.86Å; F238-F402 HydrophobicContact CZ-CZ 3.86Å; Y326-F402 HydrophobicContact CD1-CD2 4.23Å; Y326-F402 HydrophobicContact CD1-CE2 4.04Å; Q329-F402 HydrophobicContact CB-CB 4.34Å; Q329-F402 HydrophobicContact CB-CD2 3.83Å; Q329-F402 VanDerWaalsContact CB-O 3.26Å; Q329-F402 WeakPolarHBondContact CB-O 3.44Å; Q329-F402 WeakPolarHBondContact CG-O 3.46Å; Q329-F402 PolarHBondContact NE2-O 3.1Å; K330-F402 HydrophobicContact CB-CD2 4.21Å; K330-F402 HydrophobicContact CB-CE1 4.37Å; K330-F402 HydrophobicContact CB-CE2 3.74Å; K330-F402 HydrophobicContact CB-CZ 3.83Å; K330-F402 HydrophobicContact CG-CE1 4.41Å; K330-F402 HydrophobicContact CG-CZ 4.1Å; I333-F402 HydrophobicContact CB-CB 4.02Å; I333-F402 HydrophobicContact CD1-CB 3.91Å; I333-F402 HydrophobicContact CG2-CB 3.8Å; I333-F402 HydrophobicContact CG2-CD1 3.84Å; I333-F402 HydrophobicContact CG2-CG 4.04Å; P350-F402 HydrophobicContact CB-CE1 4.34Å; P350-F402 HydrophobicContact CB-CZ 4.49Å; P350-F402 HydrophobicContact CG-CE1 4.07Å; M354-F402 VanDerWaalsContact C-CZ 3.49Å; M354-F402 HydrophobicContact CB-CE2 4.37Å; M354-F402 PolarHBondContact O-N 3.31Å; M354-F402 VanDerWaalsContact O-N 3.11Å; F355-F402 VanDerWaalsContact C-CE1 3.45Å; F402-S404 PolarHBondContact O-N 3.01Å; F402-S404 VanDerWaalsContact O-N 3.16Å; F402-M410 HydrophobicContact CB-CE 3.7Å
403S97.4Very high98.5Very high27 Ų2748.1 Ų48.119%0.18928%0.28CS..SBendtrans-64.5-21.2-175.8660000115.7S401S401-S403 PolarHBondContact OG-N 3.22Å; S401-S403 PolarHBondContact OG-OG 3.09Å; S401-S403 VanDerWaalsContact OG-OG 3.06Å
404S97.2Very high98.5Very high97 Ų9746.7 Ų46.768%0.67827%0.267SS*.SBendtrans-149.9-28.1-164.2-49.90000115.6F402F402-S404 PolarHBondContact O-N 3.01Å; F402-S404 VanDerWaalsContact O-N 3.16Å
405A98Very high98.6Very high28 Ų2846 Ų4623%0.23126%0.256CS..  trans-64.7142-178.100000110.9Q329 Q409 M410Q329-A405 PolarHBondContact NE2-O 3.23Å; A405-Q409 HydrophobicContact CB-CB 4.18Å; A405-M410 HydrophobicContact CB-CE 4.15Å; A405-M410 HydrophobicContact CB-CG 4.02Å; A405-M410 WeakPolarHBondContact O-CE 3.44Å
406S98.6Very high98.6Very high37 Ų3746.5 Ų46.526%0.25926%0.259SS..  trans-73.9161.8171.284.50000111.1E408 Q409 M410S406-E408 VanDerWaalsContact CB-OE2 3.28Å; S406-E408 WeakPolarHBondContact CB-OE2 3.47Å; S406-E408 PolarHBondContact O-N 3.42Å; S406-E408 PolarHBondContact OG-N 2.96Å; S406-E408 PolarHBondContact OG-OE2 2.81Å; S406-Q409 PolarHBondContact O-N 3.42Å; S406-Q409 VanDerWaalsContact O-N 3.08Å; S406-Q409 PolarHBondContact OG-N 3.38Å; S406-M410 WeakPolarHBondContact O-CG 3.28Å; S406-M410 PolarHBondContact O-N 2.79Å
407P98.6Very high98.6Very high68 Ų6845.1 Ų45.144%0.44225%0.25SC..Hα-helixtrans-53-38.3173.6-27.636.3000113.5A332 M410 D411A332-P407 HydrophobicContact CB-CB 4.47Å; A332-P407 HydrophobicContact CB-CG 4.18Å; P407-M410 PolarHBondContact O-N 3.32Å; P407-D411 WeakPolarHBondContact O-CB 3.46Å; P407-D411 PolarHBondContact O-N 3.17Å
408E98.6Very high98.5Very high131 Ų13142.4 Ų42.461%0.61224%0.239SC*.Hα-helixtrans-68.4-38.1178.3-56.672-154.900111.9S406 D411 M412S406-E408 VanDerWaalsContact CB-OE2 3.28Å; S406-E408 WeakPolarHBondContact CB-OE2 3.47Å; S406-E408 PolarHBondContact O-N 3.42Å; S406-E408 PolarHBondContact OG-N 2.96Å; S406-E408 PolarHBondContact OG-OE2 2.81Å; E408-D411 PolarHBondContact O-N 2.95Å; E408-M412 WeakPolarHBondContact O-CB 3.28Å; E408-M412 PolarHBondContact O-N 2.66Å
409Q98.7Very high98.5Very high118 Ų11846.4 Ų46.455%0.55126%0.258SS*.Hα-helixtrans-67.7-38174.6-69.2176.1-37.700111.4A405 S406 A413A405-Q409 HydrophobicContact CB-CB 4.18Å; S406-Q409 PolarHBondContact O-N 3.42Å; S406-Q409 VanDerWaalsContact O-N 3.08Å; S406-Q409 PolarHBondContact OG-N 3.38Å; Q409-A413 WeakPolarHBondContact O-CB 3.44Å; Q409-A413 PolarHBondContact O-N 3.36Å
410M98.8Very high98.5Very high6 Ų644.3 Ų44.33%0.0325%0.251CS..Hα-helixtrans-65.1-43174.5-66.9170176.100111.6A332 I333 A336 F402 A405 S406 P407 A413 F414A332-M410 HydrophobicContact CB-SD 3.89Å; I333-M410 HydrophobicContact CB-CE 4Å; I333-M410 HydrophobicContact CB-SD 3.7Å; I333-M410 HydrophobicContact CG1-CG 4.48Å; I333-M410 HydrophobicContact CG1-SD 4.27Å; I333-M410 PolarHBondContact N-SD 3.45Å; A336-M410 HydrophobicContact CB-CB 4.01Å; F402-M410 HydrophobicContact CB-CE 3.7Å; A405-M410 HydrophobicContact CB-CE 4.15Å; A405-M410 HydrophobicContact CB-CG 4.02Å; A405-M410 WeakPolarHBondContact O-CE 3.44Å; S406-M410 WeakPolarHBondContact O-CG 3.28Å; S406-M410 PolarHBondContact O-N 2.79Å; P407-M410 PolarHBondContact O-N 3.32Å; M410-A413 PolarHBondContact O-N 2.81Å; M410-F414 PolarHBondContact O-N 3.27Å
411D98.7Very high98.5Very high41 Ų4144 Ų4422%0.21925%0.248CC..Hα-helixtrans-57.7-51.4175.2-16872.3000111.1K339 W340 P407 E408 A413 F414 Q415K339-D411 WeakPolarHBondContact CD-OD1 3.26Å; K339-D411 WeakPolarHBondContact CE-OD1 3.13Å; K339-D411 IonicContact NZ-OD1 2.98Å; K339-D411 PolarHBondContact NZ-OD1 2.98Å; K339-D411 IonicContact NZ-OD2 2.7Å; K339-D411 PolarHBondContact NZ-OD2 2.94Å; W340-D411 VanDerWaalsContact NE1-CG 3.32Å; W340-D411 PolarHBondContact NE1-O 3.33Å; W340-D411 PolarHBondContact NE1-OD1 2.75Å; P407-D411 WeakPolarHBondContact O-CB 3.46Å; P407-D411 PolarHBondContact O-N 3.17Å; E408-D411 PolarHBondContact O-N 2.95Å; D411-A413 PolarHBondContact O-N 3.04Å; D411-F414 PolarHBondContact O-N 2.87Å; D411-Q415 WeakPolarHBondContact O-CB 3.27Å; D411-Q415 PolarHBondContact O-N 3.28Å
412M98.6Very high98.4Very high103 Ų10347.8 Ų47.851%0.50726%0.258SS..Hα-helixtrans-61.1-45.7177.7-170.961.241.500112.3E408 F414 Q415 V416E408-M412 WeakPolarHBondContact O-CB 3.28Å; E408-M412 PolarHBondContact O-N 2.66Å; M412-F414 PolarHBondContact O-N 2.84Å; M412-Q415 PolarHBondContact O-N 2.94Å; M412-V416 WeakPolarHBondContact O-CG2 3.44Å; M412-V416 PolarHBondContact O-N 3.37Å
413A98.8Very high98.3Very high25 Ų2553.6 Ų53.621%0.20729%0.285CS..Hα-helixtrans-61.4-43.9-178.600000111.9V379 Q409 M410 D411 L417V379-A413 HydrophobicContact CG1-CB 4.08Å; V379-A413 HydrophobicContact CG2-CB 4.42Å; Q409-A413 WeakPolarHBondContact O-CB 3.44Å; Q409-A413 PolarHBondContact O-N 3.36Å; M410-A413 PolarHBondContact O-N 2.81Å; D411-A413 PolarHBondContact O-N 3.04Å; A413-L417 WeakPolarHBondContact O-CB 3.39Å; A413-L417 PolarHBondContact O-N 2.86Å
414F98.8Very high98.1Very high6 Ų654.3 Ų54.33%0.02629%0.29CS..Hα-helixtrans-78.9-26.7179-70.4-25.8000114.1I333 A336 A337 W340 L341 L356 I358 M381 A400 M410 D411 M412 L417 A418I333-F414 HydrophobicContact CD1-CE2 4.37Å; I333-F414 HydrophobicContact CD1-CZ 4.03Å; I333-F414 HydrophobicContact CG1-CE2 3.57Å; I333-F414 HydrophobicContact CG1-CZ 3.73Å; I333-F414 WeakPolarHBondContact O-CE2 3.22Å; A336-F414 HydrophobicContact CB-CD2 3.66Å; A336-F414 HydrophobicContact CB-CE2 4.21Å; A337-F414 HydrophobicContact CB-CD2 4.12Å; A337-F414 HydrophobicContact CB-CE2 3.74Å; A337-F414 HydrophobicContact CB-CZ 4.47Å; W340-F414 HydrophobicContact CB-CB 3.89Å; W340-F414 HydrophobicContact CG-CB 4.31Å; L341-F414 HydrophobicContact CD1-CB 4.46Å; L341-F414 HydrophobicContact CD1-CD1 3.73Å; L341-F414 HydrophobicContact CD1-CD2 4.23Å; L341-F414 HydrophobicContact CD1-CE1 3.9Å; L341-F414 HydrophobicContact CD1-CE2 4.37Å; L341-F414 HydrophobicContact CD1-CG 3.91Å; L341-F414 HydrophobicContact CD1-CZ 4.22Å; L341-F414 HydrophobicContact CD2-CB 4.36Å; L341-F414 HydrophobicContact CG-CB 4.22Å; L341-F414 HydrophobicContact CG-CD1 4.38Å; L341-F414 HydrophobicContact CG-CG 4.2Å; L356-F414 HydrophobicContact CD2-CZ 4.31Å; I358-F414 HydrophobicContact CD1-CE1 3.7Å; I358-F414 HydrophobicContact CD1-CZ 3.7Å; M381-F414 HydrophobicContact CE-CD1 4.49Å; M381-F414 HydrophobicContact CE-CE1 3.63Å; M381-F414 HydrophobicContact CE-CZ 4.48Å; M381-F414 HydrophobicContact SD-CE1 4.25Å; A400-F414 HydrophobicContact CB-CZ 4.4Å; M410-F414 PolarHBondContact O-N 3.27Å; D411-F414 PolarHBondContact O-N 2.87Å; M412-F414 PolarHBondContact O-N 2.84Å; F414-L417 HydrophobicContact CD1-CD2 4.14Å; F414-L417 HydrophobicContact CE1-CD2 4.45Å; F414-L417 PolarHBondContact O-N 3.04Å; F414-A418 VanDerWaalsContact O-CB 3.22Å; F414-A418 WeakPolarHBondContact O-CB 3.24Å; F414-A418 PolarHBondContact O-N 3.16Å
415Q98.8Very high97.8Very high75 Ų7556.2 Ų56.235%0.3529%0.292SS..Hα-helixtrans-59.4-49.1167.8-176.3179.61400111.1W340 D411 M412 A418 Q419W340-Q415 HydrophobicContact CD2-CB 3.94Å; W340-Q415 HydrophobicContact CD2-CG 4.33Å; W340-Q415 HydrophobicContact CE3-CB 4.2Å; W340-Q415 HydrophobicContact CE3-CG 4.12Å; W340-Q415 HydrophobicContact CG-CB 4.44Å; W340-Q415 HydrophobicContact CH2-CB 4.29Å; W340-Q415 HydrophobicContact CH2-CG 3.8Å; W340-Q415 HydrophobicContact CZ2-CB 4.02Å; W340-Q415 HydrophobicContact CZ2-CG 4.01Å; W340-Q415 HydrophobicContact CZ3-CB 4.38Å; W340-Q415 HydrophobicContact CZ3-CG 3.86Å; D411-Q415 WeakPolarHBondContact O-CB 3.27Å; D411-Q415 PolarHBondContact O-N 3.28Å; M412-Q415 PolarHBondContact O-N 2.94Å; Q415-A418 PolarHBondContact O-N 3.29Å; Q415-Q419 PolarHBondContact O-N 2.86Å
416V98.6Very high97.8Very high14 Ų1457.7 Ų57.79%0.08530%0.295CS..Hα-helixtrans-63.2-45.5177.71690000111.2M377 V379 M412 A418 Q419 L420M377-V416 HydrophobicContact CB-CG1 3.65Å; M377-V416 HydrophobicContact CE-CG1 4Å; M377-V416 HydrophobicContact CE-CG2 4.41Å; M377-V416 HydrophobicContact CG-CG1 4.4Å; M377-V416 HydrophobicContact SD-CG1 3.93Å; V379-V416 HydrophobicContact CB-CG1 4.14Å; V379-V416 HydrophobicContact CG2-CB 3.81Å; V379-V416 HydrophobicContact CG2-CG1 3.78Å; V379-V416 HydrophobicContact CG2-CG2 4.04Å; M412-V416 WeakPolarHBondContact O-CG2 3.44Å; M412-V416 PolarHBondContact O-N 3.37Å; V416-A418 VanDerWaalsContact C-N 3.34Å; V416-A418 PolarHBondContact O-N 3.1Å; V416-Q419 WeakPolarHBondContact O-CB 3.14Å; V416-Q419 PolarHBondContact O-N 2.7Å; V416-L420 HydrophobicContact CG1-CD1 4.02Å; V416-L420 WeakPolarHBondContact O-CG 3.06Å; V416-L420 PolarHBondContact O-N 2.94Å
417L98.7Very high97.7Very high3 Ų358.7 Ų58.72%0.01630%0.297CS..Hα-helixtrans-59.5-45176.9179.764.1000111.5L341 L369 I370 M381 L398 A413 F414 Q419 L420 I421L341-L417 HydrophobicContact CD1-CD2 4.11Å; L341-L417 HydrophobicContact CD2-CB 4.37Å; L341-L417 HydrophobicContact CD2-CD2 3.91Å; L341-L417 HydrophobicContact CD2-CG 4.14Å; L369-L417 HydrophobicContact CD2-CD1 4.31Å; I370-L417 HydrophobicContact CD1-CD1 4.27Å; M381-L417 HydrophobicContact CE-CD2 4.36Å; M381-L417 HydrophobicContact SD-CD2 3.76Å; L398-L417 HydrophobicContact CD1-CD1 3.9Å; L398-L417 HydrophobicContact CD1-CD2 4.05Å; A413-L417 WeakPolarHBondContact O-CB 3.39Å; A413-L417 PolarHBondContact O-N 2.86Å; F414-L417 HydrophobicContact CD1-CD2 4.14Å; F414-L417 HydrophobicContact CE1-CD2 4.45Å; F414-L417 PolarHBondContact O-N 3.04Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.14Å; L417-L420 PolarHBondContact O-N 3.12Å; L417-I421 HydrophobicContact CD1-CD1 4.1Å; L417-I421 HydrophobicContact CD1-CG1 4.25Å; L417-I421 HydrophobicContact CD2-CD1 4.41Å; L417-I421 HydrophobicContact CG-CD1 3.81Å; L417-I421 HydrophobicContact CG-CG1 4.4Å; L417-I421 VanDerWaalsContact O-CG1 3.28Å; L417-I421 WeakPolarHBondContact O-CG1 3.33Å; L417-I421 PolarHBondContact O-N 3.05Å
418A98.7Very high97.7Very high2 Ų258.2 Ų58.22%0.01729%0.289CS..Hα-helixtrans-60.6-40.4178.400000112.2W340 L341 L344 F414 Q415 V416 K422W340-A418 HydrophobicContact CB-CB 4.34Å; W340-A418 VanDerWaalsContact O-CB 3.24Å; W340-A418 WeakPolarHBondContact O-CB 3.45Å; L341-A418 HydrophobicContact CD2-CB 4.16Å; L344-A418 HydrophobicContact CD1-CB 3.62Å; F414-A418 VanDerWaalsContact O-CB 3.22Å; F414-A418 WeakPolarHBondContact O-CB 3.24Å; F414-A418 PolarHBondContact O-N 3.16Å; Q415-A418 PolarHBondContact O-N 3.29Å; V416-A418 VanDerWaalsContact C-N 3.34Å; V416-A418 PolarHBondContact O-N 3.1Å; A418-K422 VanDerWaalsContact O-CG 3.32Å; A418-K422 WeakPolarHBondContact O-CG 3.4Å; A418-K422 PolarHBondContact O-N 3.43Å; A418-K422 VanDerWaalsContact O-N 3.15Å
419Q98.5Very high97.7Very high85 Ų8553.9 Ų53.940%0.39727%0.27SS..Hα-helixtrans-60.9-50.8174.2178.5177.9-500111.1Q415 V416 L417 I421 K422 E423Q415-Q419 PolarHBondContact O-N 2.86Å; V416-Q419 WeakPolarHBondContact O-CB 3.14Å; V416-Q419 PolarHBondContact O-N 2.7Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.14Å; Q419-I421 VanDerWaalsContact C-N 3.32Å; Q419-I421 PolarHBondContact O-N 3.08Å; Q419-K422 PolarHBondContact O-N 2.84Å; Q419-K422 VanDerWaalsContact O-N 3.16Å; Q419-E423 HydrophobicContact CG-CG 4.46Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.33Å; Q419-E423 PolarHBondContact NE2-OE1 3.04Å; Q419-E423 WeakPolarHBondContact O-CG 3.5Å; Q419-E423 PolarHBondContact O-N 2.72Å
420L98.2Very high97.6Very high5 Ų549.9 Ų49.93%0.02625%0.252CS..Hα-helixtrans-62-37.9-178.4-74.5174.2000113.1L369 K373 A374 M377 V416 L417 S424L369-L420 HydrophobicContact CD1-CB 3.74Å; L369-L420 HydrophobicContact CG-CB 4.33Å; K373-L420 HydrophobicContact CB-CD1 4.4Å; K373-L420 HydrophobicContact CB-CD2 3.77Å; K373-L420 HydrophobicContact CD-CD2 4.35Å; A374-L420 HydrophobicContact CB-CD1 3.7Å; M377-L420 HydrophobicContact SD-CD1 4.07Å; M377-L420 HydrophobicContact SD-CD2 3.65Å; M377-L420 HydrophobicContact SD-CG 3.84Å; V416-L420 HydrophobicContact CG1-CD1 4.02Å; V416-L420 WeakPolarHBondContact O-CG 3.06Å; V416-L420 PolarHBondContact O-N 2.94Å; L417-L420 PolarHBondContact O-N 3.12Å; L420-S424 WeakPolarHBondContact O-CB 3.15Å; L420-S424 PolarHBondContact O-N 3.21Å; L420-S424 PolarHBondContact O-OG 3.19Å
421I98.1Very high97.5Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-62.7-49.6174.4-66.1165.1000109.7L341 L344 V360 I363 L369 L417 Q419 E423 S424 L425L341-I421 HydrophobicContact CD2-CD1 4.49Å; L344-I421 HydrophobicContact CB-CD1 4.3Å; L344-I421 HydrophobicContact CB-CG2 4.15Å; L344-I421 HydrophobicContact CD2-CG2 4.28Å; V360-I421 HydrophobicContact CG1-CD1 3.74Å; V360-I421 HydrophobicContact CG1-CG1 3.74Å; V360-I421 HydrophobicContact CG1-CG2 4Å; V360-I421 HydrophobicContact CG2-CD1 4.13Å; I363-I421 HydrophobicContact CD1-CG2 4.43Å; L369-I421 HydrophobicContact CD2-CG1 4.08Å; L417-I421 HydrophobicContact CD1-CD1 4.1Å; L417-I421 HydrophobicContact CD1-CG1 4.25Å; L417-I421 HydrophobicContact CD2-CD1 4.41Å; L417-I421 HydrophobicContact CG-CD1 3.81Å; L417-I421 HydrophobicContact CG-CG1 4.4Å; L417-I421 VanDerWaalsContact O-CG1 3.28Å; L417-I421 WeakPolarHBondContact O-CG1 3.33Å; L417-I421 PolarHBondContact O-N 3.05Å; Q419-I421 VanDerWaalsContact C-N 3.32Å; Q419-I421 PolarHBondContact O-N 3.08Å; I421-E423 VanDerWaalsContact C-N 3.3Å; I421-E423 PolarHBondContact O-N 3.11Å; I421-S424 PolarHBondContact O-N 3.14Å; I421-L425 HydrophobicContact CG2-CD1 3.92Å; I421-L425 HydrophobicContact CG2-CG 4.28Å; I421-L425 WeakPolarHBondContact O-CG 3.36Å; I421-L425 PolarHBondContact O-N 3.18Å; I421-L425 VanDerWaalsContact O-N 3.15Å
422K97.6Very high97.4Very high133 Ų13353.7 Ų53.758%0.57827%0.271SS*.Hα-helixtrans-62.1-34.4-179.6-72.4171.5-177.2168.30113.5L344 A418 Q419 S424L344-K422 HydrophobicContact CD1-CG 4.24Å; L344-K422 HydrophobicContact CD2-CG 3.92Å; A418-K422 VanDerWaalsContact O-CG 3.32Å; A418-K422 WeakPolarHBondContact O-CG 3.4Å; A418-K422 PolarHBondContact O-N 3.43Å; A418-K422 VanDerWaalsContact O-N 3.15Å; Q419-K422 PolarHBondContact O-N 2.84Å; Q419-K422 VanDerWaalsContact O-N 3.16Å; K422-S424 VanDerWaalsContact C-N 3.27Å
423E96.2Very high97.3Very high121 Ų12149.9 Ų49.957%0.56525%0.253SS*.Hα-helixtrans-77.3-13.6176.9-70174.4-171.400113.3Q419 I421Q419-E423 HydrophobicContact CG-CG 4.46Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.33Å; Q419-E423 PolarHBondContact NE2-OE1 3.04Å; Q419-E423 WeakPolarHBondContact O-CG 3.5Å; Q419-E423 PolarHBondContact O-N 2.72Å; I421-E423 VanDerWaalsContact C-N 3.3Å; I421-E423 PolarHBondContact O-N 3.11Å
424S93.9Very high97.2Very high42 Ų4252 Ų5229%0.29426%0.256SS..Hα-helixtrans-1090.3-178-53.30000113.8L369 K373 L420 I421 K422L369-S424 WeakPolarHBondContact CD1-OG 3.5Å; K373-S424 PolarHBondContact NZ-OG 3.32Å; K373-S424 VanDerWaalsContact NZ-OG 3.16Å; L420-S424 WeakPolarHBondContact O-CB 3.15Å; L420-S424 PolarHBondContact O-N 3.21Å; L420-S424 PolarHBondContact O-OG 3.19Å; I421-S424 PolarHBondContact O-N 3.14Å; K422-S424 VanDerWaalsContact C-N 3.27Å
425L90.5Very high97.1Very high138 Ų13856.2 Ų56.272%0.72328%0.277SS*.  trans-98.40169.5-68.1175.9000109.7I363 I421I363-L425 HydrophobicContact CG1-CD2 4.2Å; I421-L425 HydrophobicContact CG2-CD1 3.92Å; I421-L425 HydrophobicContact CG2-CG 4.28Å; I421-L425 WeakPolarHBondContact O-CG 3.36Å; I421-L425 PolarHBondContact O-N 3.18Å; I421-L425 VanDerWaalsContact O-N 3.15Å

Retrieved 425 of 425 residues in 2426.2 ms (Link to these results)

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