A0A087XG08_POEFO 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 A0A087XG08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 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
1M91.9Very high96.1Very high73 Ų7348.3 Ų48.336%0.3629%0.294SS..  01650-70.3-151.9-49.400111.5Y3 F6 L226 D252 G253 R254M1-Y3 HydrophobicContact CB-CE1 4.34Å; M1-Y3 HydrophobicContact CB-CE2 4.47Å; M1-Y3 HydrophobicContact CE-CD1 4.14Å; M1-Y3 HydrophobicContact CE-CE1 3.43Å; M1-Y3 VanDerWaalsContact CE-CE1 3.43Å; M1-F6 HydrophobicContact CE-CE2 4.43Å; M1-L226 HydrophobicContact CE-CD2 3.74Å; M1-D252 HydrophobicContact CG-CB 4.35Å; M1-D252 WeakPolarHBondContact CG-O 3.31Å; M1-D252 HydrophobicContact SD-CB 4.29Å; M1-G253 WeakPolarHBondContact CE-O 3.48Å; M1-R254 HydrophobicContact CE-CB 3.62Å; M1-R254 HydrophobicContact SD-CB 3.83Å
2N93.8Very high96.2Very high106 Ų10647.9 Ų47.957%0.56731%0.307SS*.  trans-98.294.4168.91779.8000110.2A4 R5N2-A4 VanDerWaalsContact C-N 3.26Å; N2-A4 PolarHBondContact O-N 2.61Å; N2-A4 WeakPolarHBondContact OD1-CB 3.22Å; N2-A4 PolarHBondContact OD1-N 2.86Å; N2-R5 PolarHBondContact O-N 3.27Å
3Y97.3Very high96.4Very high13 Ų1349.5 Ų49.55%0.05133%0.328CS..G310 helixtrans-66.4-25.1-176.7-65.9-69.6000114.2M1 R5 F6 G107 G253 P277 P279 L280M1-Y3 HydrophobicContact CB-CE1 4.34Å; M1-Y3 HydrophobicContact CB-CE2 4.47Å; M1-Y3 HydrophobicContact CE-CD1 4.14Å; M1-Y3 HydrophobicContact CE-CE1 3.43Å; M1-Y3 VanDerWaalsContact CE-CE1 3.43Å; Y3-R5 PolarHBondContact O-N 3.42Å; Y3-F6 PolarHBondContact O-N 3.08Å; Y3-F6 VanDerWaalsContact O-N 3.08Å; Y3-G107 WeakPolarHBondContact OH-CA 3.27Å; Y3-G253 VanDerWaalsContact CE1-O 3.26Å; Y3-G253 WeakPolarHBondContact CE1-O 3.44Å; Y3-G253 PolarHBondContact OH-O 3.48Å; Y3-P277 HydrophobicContact CE1-CB 3.66Å; Y3-P277 HydrophobicContact CE1-CG 3.86Å; Y3-P277 HydrophobicContact CE2-CB 4.39Å; Y3-P277 WeakPolarHBondContact OH-CB 3.36Å; Y3-P279 HydrophobicContact CD2-CB 3.77Å; Y3-P279 HydrophobicContact CD2-CG 3.64Å; Y3-P279 HydrophobicContact CE2-CB 4.45Å; Y3-P279 HydrophobicContact CE2-CG 3.92Å; Y3-P279 HydrophobicContact CG-CB 4.03Å; Y3-P279 HydrophobicContact CG-CG 4.38Å; Y3-L280 HydrophobicContact CD1-CD1 3.8Å; Y3-L280 HydrophobicContact CD1-CD2 3.89Å; Y3-L280 HydrophobicContact CD1-CG 3.72Å; Y3-L280 HydrophobicContact CE1-CD1 4.06Å; Y3-L280 HydrophobicContact CE1-CG 4.24Å; Y3-L280 HydrophobicContact CG-CD2 4.29Å; Y3-L280 HydrophobicContact CG-CG 4.37Å
4A95.3Very high96.4Very high67 Ų6750.3 Ų50.355%0.55432%0.32SS*.G310 helixtrans-62.9-29.1-177.500000112.8N2 F6 L7N2-A4 VanDerWaalsContact C-N 3.26Å; N2-A4 PolarHBondContact O-N 2.61Å; N2-A4 WeakPolarHBondContact OD1-CB 3.22Å; N2-A4 PolarHBondContact OD1-N 2.86Å; A4-F6 PolarHBondContact O-N 3.48Å; A4-L7 PolarHBondContact O-N 3.35Å
5R93.1Very high96.1Very high44 Ų4458.8 Ų58.817%0.16635%0.351CS..G310 helixtrans-59.8-26.5175.9174.4175.9174.4-100.8-11.9113N2 Y3 V183 R192 D224N2-R5 PolarHBondContact O-N 3.27Å; Y3-R5 PolarHBondContact O-N 3.42Å; R5-V183 PolarHBondContact NE-O 3.49Å; R5-V183 PolarHBondContact NH2-O 2.93Å; R5-R192 PolarHBondContact O-NH1 3.02Å; R5-D224 IonicContact CZ-OD2 3.37Å; R5-D224 PolarHBondContact NH1-O 3.23Å; R5-D224 IonicContact NH1-OD2 2.78Å; R5-D224 PolarHBondContact NH1-OD2 3.24Å
6F96.3Very high95.5Very high1 Ų159.8 Ų59.80%0.00436%0.359CS..G310 helixtrans-93.4-13.6-176.3-60.5-78.2000113M1 Y3 A4 L128 R192 D224 L226M1-F6 HydrophobicContact CE-CE2 4.43Å; Y3-F6 PolarHBondContact O-N 3.08Å; Y3-F6 VanDerWaalsContact O-N 3.08Å; A4-F6 PolarHBondContact O-N 3.48Å; F6-L128 HydrophobicContact CB-CD2 3.79Å; F6-L128 VanDerWaalsContact O-CA 3.32Å; F6-L128 WeakPolarHBondContact O-CA 3.43Å; F6-L128 WeakPolarHBondContact O-CD2 3.42Å; F6-R192 HydrophobicContact CD1-CB 3.98Å; F6-R192 HydrophobicContact CE1-CB 4.11Å; F6-D224 WeakPolarHBondContact CE1-O 3.14Å; F6-D224 WeakPolarHBondContact CZ-O 3.47Å; F6-L226 HydrophobicContact CB-CD1 3.79Å; F6-L226 HydrophobicContact CD1-CD1 3.69Å; F6-L226 HydrophobicContact CD1-CG 3.65Å; F6-L226 HydrophobicContact CD2-CD1 4.15Å; F6-L226 HydrophobicContact CD2-CD2 4.42Å; F6-L226 HydrophobicContact CD2-CG 4.22Å; F6-L226 HydrophobicContact CE1-CD1 4.3Å; F6-L226 HydrophobicContact CE1-CD2 4.5Å; F6-L226 HydrophobicContact CE1-CG 3.74Å; F6-L226 HydrophobicContact CE2-CD2 4.29Å; F6-L226 HydrophobicContact CE2-CG 4.28Å; F6-L226 HydrophobicContact CG-CD1 3.61Å; F6-L226 HydrophobicContact CG-CG 3.91Å; F6-L226 HydrophobicContact CZ-CD2 4.33Å; F6-L226 HydrophobicContact CZ-CG 4.05Å
7L97.5Very high94.6Very high36 Ų3658.9 Ų58.919%0.18836%0.356CS..  trans-85.4136.8-174.9-59.5-179000111.2A4 M127 L280 R283A4-L7 PolarHBondContact O-N 3.35Å; L7-M127 HydrophobicContact CD2-CG 3.64Å; L7-M127 HydrophobicContact CD2-SD 4Å; L7-L280 HydrophobicContact CD2-CD2 3.85Å; L7-R283 HydrophobicContact CD1-CG 4.16Å; L7-R283 HydrophobicContact CD2-CG 3.94Å
8T98.1Very high93.7Very high6 Ų661.1 Ų61.14%0.03737%0.372CS..  trans-63.4155.1163.464.10000110.3V10 S11 G12 E126 M127 V129 N130T8-V10 PolarHBondContact O-N 2.88Å; T8-S11 PolarHBondContact O-N 3.01Å; T8-S11 VanDerWaalsContact O-N 3.15Å; T8-S11 WeakPolarHBondContact OG1-CB 3.44Å; T8-S11 PolarHBondContact OG1-N 2.96Å; T8-S11 VanDerWaalsContact OG1-N 3.12Å; T8-G12 PolarHBondContact O-N 3.05Å; T8-E126 PolarHBondContact OG1-O 3.1Å; T8-M127 WeakPolarHBondContact CG2-O 3.42Å; T8-M127 PolarHBondContact N-O 3.06Å; T8-M127 PolarHBondContact OG1-O 3.11Å; T8-V129 VanDerWaalsContact CG2-O 3.29Å; T8-V129 WeakPolarHBondContact CG2-O 3.39Å; T8-N130 WeakPolarHBondContact CG2-OD1 3.38Å
9A97.7Very high92.8Very high83 Ų8363.6 Ų63.669%0.68638%0.382SS*.Hα-helixtrans-57.3-37.1174.500000111.7G12 A13A9-G12 PolarHBondContact O-N 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.26Å; A9-A13 PolarHBondContact O-N 2.63Å
10V98.1Very high92Very high99 Ų9962.5 Ų62.560%0.637%0.37SS*.Hα-helixtrans-62.2-47.7176.4177.50000111.1T8 A13 R14T8-V10 PolarHBondContact O-N 2.88Å; V10-A13 PolarHBondContact O-N 3.39Å; V10-R14 PolarHBondContact O-N 2.69Å
11S98.2Very high91.3Very high3 Ų364 Ų642%0.02138%0.376CS..Hα-helixtrans-66-41.6178.2-171.70000112.4T8 A13 R14 R283T8-S11 PolarHBondContact O-N 3.01Å; T8-S11 VanDerWaalsContact O-N 3.15Å; T8-S11 WeakPolarHBondContact OG1-CB 3.44Å; T8-S11 PolarHBondContact OG1-N 2.96Å; T8-S11 VanDerWaalsContact OG1-N 3.12Å; S11-A13 PolarHBondContact O-N 2.96Å; S11-R14 WeakPolarHBondContact O-CB 3.39Å; S11-R14 PolarHBondContact O-N 2.72Å; S11-R283 WeakPolarHBondContact O-CD 3.43Å; S11-R283 PolarHBondContact O-NH1 2.88Å
12G97.6Very high90.7Very high44 Ų4464.8 Ų64.845%0.45438%0.382SS..Hα-helixtrans-61-32.1174.600000113.3T8 A9 R14T8-G12 PolarHBondContact O-N 3.05Å; A9-G12 PolarHBondContact O-N 3.31Å; G12-R14 VanDerWaalsContact C-N 3.34Å; G12-R14 PolarHBondContact O-N 2.99Å
13A97.9Very high89.9Confident69 Ų6961.9 Ų61.957%0.5737%0.368SS*.Hα-helixtrans-77-14.1178.300000114.3A9 V10 S11 K15A9-A13 WeakPolarHBondContact O-CB 3.26Å; A9-A13 PolarHBondContact O-N 2.63Å; V10-A13 PolarHBondContact O-N 3.39Å; S11-A13 PolarHBondContact O-N 2.96Å; A13-K15 PolarHBondContact O-N 3.08Å
14R96.6Very high88.9Confident60 Ų6065.8 Ų65.823%0.22639%0.386CS..  trans-64.1130.4178.1-62.9-177-175.1-85.31.4110.4V10 S11 G12 R283 L286 H287V10-R14 PolarHBondContact O-N 2.69Å; S11-R14 WeakPolarHBondContact O-CB 3.39Å; S11-R14 PolarHBondContact O-N 2.72Å; G12-R14 VanDerWaalsContact C-N 3.34Å; G12-R14 PolarHBondContact O-N 2.99Å; R14-R283 PolarHBondContact O-NH1 2.67Å; R14-L286 HydrophobicContact CB-CB 4.08Å; R14-L286 HydrophobicContact CB-CD1 4.05Å; R14-H287 VanDerWaalsContact CZ-CD2 3.42Å; R14-H287 PolarHBondContact NH1-CD2 3.36Å; R14-H287 VanDerWaalsContact NH1-CD2 3.33Å; R14-H287 PolarHBondContact NH2-CD2 3.38Å; R14-H287 PolarHBondContact NH2-CE1 3.18Å; R14-H287 VanDerWaalsContact NH2-CE1 3.3Å; R14-H287 PolarHBondContact NH2-ND1 2.72Å; R14-H287 PolarHBondContact NH2-NE2 2.98Å; R14-H287 VanDerWaalsContact NH2-NE2 3.15Å
15K92.6Very high88.1Confident178 Ų17867.8 Ų67.877%0.77439%0.387SS*.  trans-117.5147.8177.6-65.8-178.7-178.2179.40110.2A13 S17A13-K15 PolarHBondContact O-N 3.08Å; K15-S17 PolarHBondContact O-N 3.35Å
16P86.2Confident87.4Confident75 Ų7569.7 Ų69.749%0.48740%0.398SS..  trans-53.5137.4169.5-2433.6000111.4P18 L21 L286P16-P18 WeakPolarHBondContact O-CD 3.28Å; P16-L21 HydrophobicContact CB-CD1 4.46Å; P16-L286 HydrophobicContact CB-CD2 4.26Å; P16-L286 HydrophobicContact CG-CD2 4.22Å
17S80Confident86.3Confident45 Ų4575.2 Ų75.232%0.31542%0.424SS..  trans-73.3122173.2172.20000109.9K15 I19 R20 L21K15-S17 PolarHBondContact O-N 3.35Å; S17-I19 PolarHBondContact O-N 2.81Å; S17-R20 WeakPolarHBondContact O-CB 3.29Å; S17-R20 PolarHBondContact O-N 2.82Å; S17-L21 PolarHBondContact O-N 3.22Å
18P79.5Confident85.4Confident97 Ų9784.4 Ų84.463%0.6346%0.456SS*.Hα-helixtrans-56.2-34.9178.6-27.235.7000113.4P16 R20 L21 L22P16-P18 WeakPolarHBondContact O-CD 3.28Å; P18-R20 VanDerWaalsContact C-N 3.3Å; P18-R20 PolarHBondContact O-N 3.43Å; P18-L21 PolarHBondContact O-N 3.43Å; P18-L22 PolarHBondContact O-N 3.43Å
19I76.2Confident84.5Confident110 Ų11085.7 Ų85.756%0.56447%0.465SS*.Hα-helixtrans-66.1-33.5177-68.3173.2000111.4S17 L22 T23S17-I19 PolarHBondContact O-N 2.81Å; I19-L22 PolarHBondContact O-N 3.05Å; I19-T23 PolarHBondContact O-N 2.84Å; I19-T23 VanDerWaalsContact O-N 3.15Å; I19-T23 PolarHBondContact O-OG1 3.15Å; I19-T23 VanDerWaalsContact O-OG1 3.09Å
20R76.1Confident84Confident41 Ų4185.7 Ų85.716%0.15546%0.458CS..Hα-helixtrans-71.4-38.1178-67-61.6-173.1-179.15112S17 P18 L22 T23 E24 M293S17-R20 WeakPolarHBondContact O-CB 3.29Å; S17-R20 PolarHBondContact O-N 2.82Å; P18-R20 VanDerWaalsContact C-N 3.3Å; P18-R20 PolarHBondContact O-N 3.43Å; R20-L22 VanDerWaalsContact C-N 3.27Å; R20-L22 PolarHBondContact O-N 3.07Å; R20-T23 WeakPolarHBondContact O-CB 3.43Å; R20-T23 PolarHBondContact O-N 3.48Å; R20-E24 PolarHBondContact O-N 2.81Å; R20-M293 PolarHBondContact NH2-SD 3.04Å
21L77.3Confident83.2Confident95 Ų9587.8 Ų87.850%0.49747%0.474SS..Hα-helixtrans-59.5-38.6172-64.5173.6000111.9P16 S17 P18 T23 E24 L25P16-L21 HydrophobicContact CB-CD1 4.46Å; S17-L21 PolarHBondContact O-N 3.22Å; P18-L21 PolarHBondContact O-N 3.43Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.48Å; L21-E24 PolarHBondContact O-N 2.87Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 PolarHBondContact O-N 2.7Å
22L80.4Confident82.8Confident89 Ų8992.6 Ų92.647%0.46651%0.508SS..Hα-helixtrans-64.7-36.6173.9-67.2174.1000112.5P18 I19 R20 L25 Q26P18-L22 PolarHBondContact O-N 3.43Å; I19-L22 PolarHBondContact O-N 3.05Å; R20-L22 VanDerWaalsContact C-N 3.27Å; R20-L22 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.68Å; L22-Q26 WeakPolarHBondContact O-CB 3.21Å; L22-Q26 PolarHBondContact O-N 3.16Å
23T76.8Confident82.4Confident45 Ų4594.6 Ų94.628%0.27651%0.507SS..Hα-helixtrans-65.9-44176.6-52.50000111.1I19 R20 L21 Q26 Q27I19-T23 PolarHBondContact O-N 2.84Å; I19-T23 VanDerWaalsContact O-N 3.15Å; I19-T23 PolarHBondContact O-OG1 3.15Å; I19-T23 VanDerWaalsContact O-OG1 3.09Å; R20-T23 WeakPolarHBondContact O-CB 3.43Å; R20-T23 PolarHBondContact O-N 3.48Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.48Å; T23-Q26 PolarHBondContact O-N 3.27Å; T23-Q27 WeakPolarHBondContact O-CG 3.23Å; T23-Q27 PolarHBondContact O-N 3.41Å
24E75.4Confident81.9Confident95 Ų9598.3 Ų98.344%0.44452%0.516SS..Hα-helixtrans-63.2-42.1174.9-69.7173-165.400111.6R20 L21 Q26 Q27 R28R20-E24 PolarHBondContact O-N 2.81Å; L21-E24 PolarHBondContact O-N 2.87Å; E24-Q26 VanDerWaalsContact C-N 3.35Å; E24-Q26 PolarHBondContact O-N 3.29Å; E24-Q27 PolarHBondContact O-N 3.02Å; E24-R28 WeakPolarHBondContact O-CG 3.38Å; E24-R28 PolarHBondContact O-N 3.37Å; E24-R28 VanDerWaalsContact O-N 3.13Å
25L78.8Confident81.1Confident108 Ų10897.4 Ų97.457%0.56552%0.519SS*.Hα-helixtrans-60.8-45174.9-17667.9000111.1L21 L22 Q27 R28 S29L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 PolarHBondContact O-N 2.7Å; L22-L25 PolarHBondContact O-N 2.68Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.33Å; L25-R28 CarbonylContact O-C 3.53Å; L25-R28 PolarHBondContact O-N 2.99Å; L25-S29 WeakPolarHBondContact O-CB 3.18Å; L25-S29 PolarHBondContact O-N 2.96Å; L25-S29 PolarHBondContact O-OG 3.43Å
26Q79.3Confident80.8Confident84 Ų8497 Ų9739%0.39352%0.524SS..Hα-helixtrans-60.5-41.6176.8-179.8175.6-17.900111.5L22 T23 E24 R28 S29 L33 S35L22-Q26 WeakPolarHBondContact O-CB 3.21Å; L22-Q26 PolarHBondContact O-N 3.16Å; T23-Q26 PolarHBondContact O-N 3.27Å; E24-Q26 VanDerWaalsContact C-N 3.35Å; E24-Q26 PolarHBondContact O-N 3.29Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 3.28Å; Q26-S29 PolarHBondContact O-N 2.96Å; Q26-L33 HydrophobicContact CG-CD2 4.41Å; Q26-S35 VanDerWaalsContact CD-CB 3.45Å; Q26-S35 PolarHBondContact OE1-OG 2.98Å
27Q73.2Confident80.5Confident117 Ų11796.6 Ų96.655%0.54753%0.527SS..Hα-helixtrans-64.6-29177.1-73.7174.9-300113.4T23 E24 L25T23-Q27 WeakPolarHBondContact O-CG 3.23Å; T23-Q27 PolarHBondContact O-N 3.41Å; E24-Q27 PolarHBondContact O-N 3.02Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.33Å
28R77.3Confident80.5Confident229 Ų22996.6 Ų96.686%0.86453%0.534SS*.Hα-helixtrans-93.3-4.7178.2-61.5176.684.2178.16.4113.3E24 L25 Q26E24-R28 WeakPolarHBondContact O-CG 3.38Å; E24-R28 PolarHBondContact O-N 3.37Å; E24-R28 VanDerWaalsContact O-N 3.13Å; L25-R28 CarbonylContact O-C 3.53Å; L25-R28 PolarHBondContact O-N 2.99Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 3.28Å
29S80.6Confident80.7Confident33 Ų3395.7 Ų95.723%0.23154%0.542CS..SBendtrans-84.4160.2-178.6-67.60000111.6L25 Q26 L33L25-S29 WeakPolarHBondContact O-CB 3.18Å; L25-S29 PolarHBondContact O-N 2.96Å; L25-S29 PolarHBondContact O-OG 3.43Å; Q26-S29 PolarHBondContact O-N 2.96Å; S29-L33 VanDerWaalsContact CB-CD2 3.41Å
30P85.9Confident81.3Confident84 Ų8493.5 Ų93.555%0.54554%0.541SS..  trans-57.3148.9174.8-24.334.3000112.1S32 L33P30-S32 PolarHBondContact O-N 3.49Å; P30-L33 VanDerWaalsContact O-CB 3.3Å; P30-L33 WeakPolarHBondContact O-CB 3.36Å; P30-L33 PolarHBondContact O-N 3.1Å
31P81.9Confident82.1Confident143 Ų14394.2 Ų94.293%0.92955%0.551SS**THydrogen-bonded Turntrans-58.3-20.7176.2-25.534.4000114.5L33P31-L33 VanDerWaalsContact C-N 3.27Å; P31-L33 PolarHBondContact O-N 3.44Å
32S89.4Confident82.9Confident104 Ų10494.1 Ų94.173%0.72755%0.551SS**THydrogen-bonded Turntrans-76.9-7.317655.70000114.1P30 I34P30-S32 PolarHBondContact O-N 3.49Å; S32-I34 PolarHBondContact O-N 3.27Å
33L89.3Confident83.6Confident86 Ų8691.7 Ų91.745%0.4554%0.54SS..  trans-63.9117.8175.7178.369.9000110Q26 S29 P30 P31 S35Q26-L33 HydrophobicContact CG-CD2 4.41Å; S29-L33 VanDerWaalsContact CB-CD2 3.41Å; P30-L33 VanDerWaalsContact O-CB 3.3Å; P30-L33 WeakPolarHBondContact O-CB 3.36Å; P30-L33 PolarHBondContact O-N 3.1Å; P31-L33 VanDerWaalsContact C-N 3.27Å; P31-L33 PolarHBondContact O-N 3.44Å; L33-S35 PolarHBondContact O-N 3.44Å
34I86.5Confident84.6Confident147 Ų14794.5 Ų94.575%0.75455%0.553SS**  trans-84.6106.1168.4-58.2172.2000107.6S32S32-I34 PolarHBondContact O-N 3.27Å
35S81.3Confident85.6Confident40 Ų4095.1 Ų95.128%0.2856%0.564SS.*  trans-101.6117.3176-1790000110.5Q26 L33Q26-S35 VanDerWaalsContact CD-CB 3.45Å; Q26-S35 PolarHBondContact OE1-OG 2.98Å; L33-S35 PolarHBondContact O-N 3.44Å
36L85.1Confident86.6Confident171 Ų17192.5 Ų92.590%0.89555%0.548SS*.  trans-103.46.8168.9-57.7179.7000112.1
37A80.7Confident87.5Confident66 Ų6693.7 Ų93.755%0.54556%0.563SS.*  trans-92.3-13.4-174.700000113.3
38G79.6Confident88.7Confident45 Ų4594.6 Ų94.646%0.46457%0.565SS.*  trans-78.6140.6-176.800000113
39G84.2Confident89.7Confident77 Ų7790.7 Ų90.779%0.79456%0.557SS**  trans-9619.2173.600000114.3
40A87.6Confident90.5Very high65 Ų6593 Ų9354%0.53757%0.573SS.*  trans-78.9133.1-177.700000111
41P92.9Very high91.1Very high56 Ų5690.1 Ų90.136%0.36456%0.556SS.*  trans-65.2152.8174.228.5-36.8000111.6P43 F46 Q73 Y74P41-P43 WeakPolarHBondContact O-CD 3.46Å; P41-F46 HydrophobicContact CB-CE1 4.22Å; P41-F46 HydrophobicContact CB-CZ 4.25Å; P41-F46 HydrophobicContact CG-CE1 4.08Å; P41-F46 HydrophobicContact CG-CZ 3.72Å; P41-Q73 PolarHBondContact O-NE2 3.37Å; P41-Y74 HydrophobicContact CG-CE2 4.46Å
42N95.4Very high91.9Very high93 Ų9387.6 Ų87.650%0.49754%0.538SS..  trans-68.8115.2178-175.6-18.6000110.3N44 T45N42-N44 PolarHBondContact O-N 2.82Å; N42-N44 VanDerWaalsContact O-N 3.07Å; N42-N44 WeakPolarHBondContact OD1-CB 3.44Å; N42-N44 PolarHBondContact OD1-N 3.3Å; N42-N44 VanDerWaalsContact OD1-N 3.09Å; N42-N44 PolarHBondContact OD1-ND2 3.24Å; N42-T45 HydrophobicContact CB-CG2 4.43Å; N42-T45 PolarHBondContact O-N 3.07Å; N42-T45 VanDerWaalsContact O-N 3.12Å; N42-T45 PolarHBondContact O-OG1 2.86Å
43P94.4Very high92.3Very high37 Ų3785 Ų8524%0.2452%0.516CS..G310 helixtrans-67.9-13.6-173.529.1-36.4000113.9P41 T45 F46 K69P41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-T45 PolarHBondContact O-N 3.42Å; P43-F46 HydrophobicContact CB-CD2 3.88Å; P43-F46 HydrophobicContact CB-CE2 3.8Å; P43-F46 WeakPolarHBondContact O-CD2 3.49Å; P43-F46 PolarHBondContact O-N 3.27Å; P43-K69 HydrophobicContact CB-CB 3.96Å; P43-K69 HydrophobicContact CB-CG 4.09Å; P43-K69 HydrophobicContact CG-CB 4.36Å
44N97.1Very high92.7Very high104 Ų10487.7 Ų87.756%0.55653%0.526SS*.G310 helixtrans-69.6-14.9174.7-62.6-56.8000113.4N42 K69N42-N44 PolarHBondContact O-N 2.82Å; N42-N44 VanDerWaalsContact O-N 3.07Å; N42-N44 WeakPolarHBondContact OD1-CB 3.44Å; N42-N44 PolarHBondContact OD1-N 3.3Å; N42-N44 VanDerWaalsContact OD1-N 3.09Å; N42-N44 PolarHBondContact OD1-ND2 3.24Å; N44-K69 WeakPolarHBondContact OD1-CE 3.48Å; N44-K69 PolarHBondContact OD1-NZ 3.09Å
45T97.8Very high93.2Very high108 Ų10882.2 Ų82.266%0.66350%0.499SS*.G310 helixtrans-89.6-4.1176.968.50000112.7N42 P43N42-T45 HydrophobicContact CB-CG2 4.43Å; N42-T45 PolarHBondContact O-N 3.07Å; N42-T45 VanDerWaalsContact O-N 3.12Å; N42-T45 PolarHBondContact O-OG1 2.86Å; P43-T45 PolarHBondContact O-N 3.42Å
46F98.3Very high93.8Very high54 Ų5488.7 Ų88.724%0.23752%0.522CS..SBendtrans-77.1142.8177.9-57.2-27.3000110.8P41 P43 F48 L72P41-F46 HydrophobicContact CB-CE1 4.22Å; P41-F46 HydrophobicContact CB-CZ 4.25Å; P41-F46 HydrophobicContact CG-CE1 4.08Å; P41-F46 HydrophobicContact CG-CZ 3.72Å; P43-F46 HydrophobicContact CB-CD2 3.88Å; P43-F46 HydrophobicContact CB-CE2 3.8Å; P43-F46 WeakPolarHBondContact O-CD2 3.49Å; P43-F46 PolarHBondContact O-N 3.27Å; F46-F48 PolarHBondContact O-N 3.18Å; F46-L72 HydrophobicContact CB-CD1 3.83Å; F46-L72 HydrophobicContact CD2-CB 3.54Å; F46-L72 HydrophobicContact CD2-CD1 4.07Å; F46-L72 HydrophobicContact CD2-CG 4.49Å; F46-L72 HydrophobicContact CE2-CB 3.89Å; F46-L72 WeakPolarHBondContact CE2-O 3.14Å; F46-L72 HydrophobicContact CG-CB 4.41Å; F46-L72 HydrophobicContact CG-CD1 4.38Å
47P98.2Very high94Very high108 Ų10885.5 Ų85.570%0.70151%0.507SS*.SBendtrans-82.3-10.6-169.232.4-36.8000114.7
48F98.5Very high94.4Very high136 Ų13684 Ų8460%0.59650%0.497SS*.  trans-99125.7-177-43.3-79.6000110.8F46 M68 L72F46-F48 PolarHBondContact O-N 3.18Å; F48-M68 HydrophobicContact CB-CG 4.45Å; F48-M68 HydrophobicContact CB-SD 4.31Å; F48-M68 WeakPolarHBondContact O-CG 3.36Å; F48-L72 HydrophobicContact CB-CD1 3.95Å; F48-L72 HydrophobicContact CD2-CD1 3.99Å; F48-L72 HydrophobicContact CD2-CD2 3.9Å; F48-L72 HydrophobicContact CG-CD1 4.48Å
49Q98.1Very high95.1Very high147 Ų14788.7 Ų88.769%0.68751%0.507SS*.  trans-99-40.4-173.5-68.2-178.1-19.400113.5E65 M68Q49-E65 VanDerWaalsContact O-CA 3.31Å; Q49-E65 WeakPolarHBondContact O-CA 3.27Å; Q49-M68 VanDerWaalsContact O-CB 3.25Å; Q49-M68 WeakPolarHBondContact O-CB 3.45Å
50S98.4Very high95.7Very high83 Ų8387.9 Ų87.958%0.5849%0.487SS*.  trans-155.2165.3-176.760.80000111F63 M68S50-F63 WeakPolarHBondContact CA-O 3.29Å; S50-F63 WeakPolarHBondContact CB-O 3.36Å; S50-M68 WeakPolarHBondContact O-CE 3.49Å
51A98.4Very high96.1Very high22 Ų2285 Ų8518%0.18246%0.463CS..EExtended strand (participates in β ladder)trans-148.4147.7173.600000111.3I53 T62 F63 M68 F298A51-I53 HydrophobicContact CB-CD1 4.2Å; A51-T62 WeakPolarHBondContact O-CA 3.22Å; A51-F63 HydrophobicContact CB-CB 4.23Å; A51-F63 HydrophobicContact CB-CD2 4.03Å; A51-F63 HydrophobicContact CB-CG 4.49Å; A51-F63 PolarHBondContact N-O 3.1Å; A51-F63 VanDerWaalsContact N-O 3.09Å; A51-F63 PolarHBondContact O-N 3.35Å; A51-M68 HydrophobicContact CB-CE 3.43Å; A51-M68 VanDerWaalsContact CB-CE 3.43Å; A51-F298 HydrophobicContact CB-CE2 4.29Å; A51-F298 HydrophobicContact CB-CZ 4.22Å
52T98.3Very high96.4Very high90 Ų9086 Ų8655%0.55247%0.467SS*.EExtended strand (participates in β ladder)trans-132119.3175.1-56.80000108.3T60T52-T60 HydrophobicContact CG2-CG2 3.3Å
53I98.3Very high96.5Very high51 Ų5181.6 Ų81.626%0.26244%0.444SS..EExtended strand (participates in β ladder)trans-117.3118.9-179.3-57.298.9000109.1A51 T60 V61 F63 F298 M302A51-I53 HydrophobicContact CB-CD1 4.2Å; I53-T60 WeakPolarHBondContact O-CA 3.48Å; I53-T60 WeakPolarHBondContact O-CG2 3.39Å; I53-V61 HydrophobicContact CB-CB 4.32Å; I53-V61 HydrophobicContact CD1-CG1 4.27Å; I53-V61 PolarHBondContact N-O 2.93Å; I53-V61 PolarHBondContact O-N 2.99Å; I53-F63 HydrophobicContact CD1-CD2 3.87Å; I53-F63 HydrophobicContact CD1-CE2 3.66Å; I53-F298 HydrophobicContact CD1-CZ 4.41Å; I53-M302 HydrophobicContact CB-SD 4.42Å; I53-M302 HydrophobicContact CD1-SD 4.1Å; I53-M302 HydrophobicContact CG1-SD 4Å; I53-M302 HydrophobicContact CG2-SD 4.14Å
54Q98.1Very high96.7Very high141 Ų14184.3 Ų84.366%0.65946%0.456SS*.  trans-76.5132.6177.1-58.2-58.6-22.400110.5T60Q54-T60 PolarHBondContact OE1-OG1 3.34Å
55V97.1Very high96.7Very high32 Ų3284.6 Ų84.619%0.19445%0.454CS..  trans-111.6124.6-179.7179.30000108.9N57 G58 Q59 V61 L306 W310V55-N57 PolarHBondContact O-N 2.97Å; V55-G58 PolarHBondContact O-N 2.65Å; V55-Q59 WeakPolarHBondContact CB-O 3.11Å; V55-Q59 VanDerWaalsContact CG2-O 3.32Å; V55-Q59 WeakPolarHBondContact CG2-O 3.38Å; V55-V61 HydrophobicContact CG2-CG2 3.96Å; V55-L306 HydrophobicContact CB-CD1 4.47Å; V55-L306 HydrophobicContact CG1-CD1 3.53Å; V55-L306 HydrophobicContact CG2-CD1 4.15Å; V55-W310 HydrophobicContact CG1-CZ2 4.3Å
56K93.1Very high96.7Very high176 Ų17684.6 Ų84.677%0.76545%0.454SS*.THydrogen-bonded Turntrans-63.9126.8170.3-175.7-179.7179.4-1790108.8G58K56-G58 VanDerWaalsContact C-N 3.3Å; K56-G58 PolarHBondContact O-N 2.8Å
57N88.8Confident96.6Very high105 Ų10583.2 Ų83.256%0.56145%0.453SS*.THydrogen-bonded Turntrans58.936.5179.7-47.9-25.7000113.5V55 W310V55-N57 PolarHBondContact O-N 2.97Å; N57-W310 PolarHBondContact O-NE1 3.03Å
58G89.7Confident96.6Very high34 Ų3478.2 Ų78.235%0.35142%0.421SS..SBendtrans-158.9176.1179.400000112.4V55 K56V55-G58 PolarHBondContact O-N 2.65Å; K56-G58 VanDerWaalsContact C-N 3.3Å; K56-G58 PolarHBondContact O-N 2.8Å
59Q93.7Very high96.6Very high144 Ų14474.5 Ų74.567%0.67340%0.404SS*.PPolyproline II helixtrans-73.2144.9173.1-65.7-178.4-1300110.5V55 V61 S309V55-Q59 WeakPolarHBondContact CB-O 3.11Å; V55-Q59 VanDerWaalsContact CG2-O 3.32Å; V55-Q59 WeakPolarHBondContact CG2-O 3.38Å; Q59-V61 PolarHBondContact O-N 3.26Å; Q59-S309 PolarHBondContact OE1-OG 3.4Å
60T97.1Very high96.5Very high59 Ų5972.7 Ų72.736%0.36239%0.391SS..PPolyproline II helixtrans-59.9127.3172.4-540000110.1T52 I53 Q54T52-T60 HydrophobicContact CG2-CG2 3.3Å; I53-T60 WeakPolarHBondContact O-CA 3.48Å; I53-T60 WeakPolarHBondContact O-CG2 3.39Å; Q54-T60 PolarHBondContact OE1-OG1 3.34Å
61V97.3Very high96.5Very high6 Ų668.9 Ų68.94%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-79.9125.1173.3172.60000108.5I53 V55 Q59 F63 M302 Q305I53-V61 HydrophobicContact CB-CB 4.32Å; I53-V61 HydrophobicContact CD1-CG1 4.27Å; I53-V61 PolarHBondContact N-O 2.93Å; I53-V61 PolarHBondContact O-N 2.99Å; V55-V61 HydrophobicContact CG2-CG2 3.96Å; Q59-V61 PolarHBondContact O-N 3.26Å; V61-F63 HydrophobicContact CG1-CD2 4.26Å; V61-F63 HydrophobicContact CG1-CE2 3.61Å; V61-F63 HydrophobicContact CG1-CZ 4.24Å; V61-M302 HydrophobicContact CG1-CG 4.22Å; V61-Q305 HydrophobicContact CG1-CB 4.15Å; V61-Q305 HydrophobicContact CG2-CB 4.26Å
62T97.5Very high96.5Very high75 Ų7570.4 Ų70.446%0.4637%0.369SS..EExtended strand (participates in β ladder)trans-124.4135.8-176.4-530000110.6A51 Q305A51-T62 WeakPolarHBondContact O-CA 3.22Å; T62-Q305 PolarHBondContact O-OE1 2.79Å
63F98.4Very high96.3Very high1 Ų167.7 Ų67.70%0.00435%0.35CS..EExtended strand (participates in β ladder)trans-114.7104.7170.8-64.9-96.6000107.8S50 A51 I53 V61 A67 M68 A71 F298 L301 M302S50-F63 WeakPolarHBondContact CA-O 3.29Å; S50-F63 WeakPolarHBondContact CB-O 3.36Å; A51-F63 HydrophobicContact CB-CB 4.23Å; A51-F63 HydrophobicContact CB-CD2 4.03Å; A51-F63 HydrophobicContact CB-CG 4.49Å; A51-F63 PolarHBondContact N-O 3.1Å; A51-F63 VanDerWaalsContact N-O 3.09Å; A51-F63 PolarHBondContact O-N 3.35Å; I53-F63 HydrophobicContact CD1-CD2 3.87Å; I53-F63 HydrophobicContact CD1-CE2 3.66Å; V61-F63 HydrophobicContact CG1-CD2 4.26Å; V61-F63 HydrophobicContact CG1-CE2 3.61Å; V61-F63 HydrophobicContact CG1-CZ 4.24Å; F63-A67 HydrophobicContact CB-CB 4.33Å; F63-A67 HydrophobicContact CD1-CB 4.11Å; F63-M68 HydrophobicContact CB-CB 4.48Å; F63-M68 HydrophobicContact CB-CE 3.85Å; F63-M68 HydrophobicContact CG-CE 4.41Å; F63-A71 HydrophobicContact CD1-CB 4.02Å; F63-A71 HydrophobicContact CE1-CB 3.97Å; F63-F298 HydrophobicContact CD2-CE2 4.38Å; F63-F298 HydrophobicContact CD2-CZ 4.49Å; F63-F298 HydrophobicContact CE2-CE2 4.32Å; F63-F298 HydrophobicContact CE2-CZ 4.22Å; F63-F298 HydrophobicContact CZ-CE2 4.48Å; F63-L301 HydrophobicContact CE1-CB 3.61Å; F63-L301 HydrophobicContact CE1-CD1 4.07Å; F63-L301 HydrophobicContact CE1-CG 4.48Å; F63-L301 HydrophobicContact CZ-CB 3.93Å; F63-M302 HydrophobicContact CE2-CB 4.38Å; F63-M302 HydrophobicContact CZ-CB 4.11Å
64D97.9Very high96.1Very high94 Ų9471.2 Ų71.250%0.50336%0.361SS..  trans-68.9178.6164.969.325.2000110.9T66 A67 M68D64-T66 PolarHBondContact O-N 2.77Å; D64-T66 WeakPolarHBondContact OD1-CA 3.34Å; D64-T66 WeakPolarHBondContact OD1-CB 3.36Å; D64-T66 PolarHBondContact OD1-N 3.3Å; D64-A67 PolarHBondContact O-N 2.99Å; D64-A67 WeakPolarHBondContact OD1-CB 3.4Å; D64-A67 PolarHBondContact OD1-N 3.39Å; D64-M68 VanDerWaalsContact O-CB 3.26Å; D64-M68 WeakPolarHBondContact O-CB 3.49Å; D64-M68 PolarHBondContact O-N 3.44Å
65E97.6Very high95.8Very high110 Ų11065.3 Ų65.351%0.51434%0.336SS..Hα-helixtrans-59.3-35.7-177.6-166.7-174.3149.900113.2Q49 K69Q49-E65 VanDerWaalsContact O-CA 3.31Å; Q49-E65 WeakPolarHBondContact O-CA 3.27Å; E65-K69 VanDerWaalsContact O-CG 3.26Å; E65-K69 WeakPolarHBondContact O-CG 3.3Å; E65-K69 PolarHBondContact O-N 2.93Å; E65-K69 VanDerWaalsContact OE1-CE 3.27Å; E65-K69 WeakPolarHBondContact OE1-CE 3.41Å; E65-K69 IonicContact OE1-NZ 2.92Å; E65-K69 PolarHBondContact OE1-NZ 3.35Å
66T96.9Very high95.5Very high108 Ų10864.9 Ų64.966%0.66334%0.336SS*.Hα-helixtrans-72.2-46.9179.9-590000110.6D64 M68 K69 R70D64-T66 PolarHBondContact O-N 2.77Å; D64-T66 WeakPolarHBondContact OD1-CA 3.34Å; D64-T66 WeakPolarHBondContact OD1-CB 3.36Å; D64-T66 PolarHBondContact OD1-N 3.3Å; T66-M68 VanDerWaalsContact C-N 3.31Å; T66-M68 PolarHBondContact O-N 3.4Å; T66-K69 PolarHBondContact O-N 3.19Å; T66-R70 PolarHBondContact O-N 2.92Å; T66-R70 VanDerWaalsContact O-N 3.16Å
67A96.6Very high95.6Very high25 Ų2556.9 Ų56.921%0.20730%0.301CS..Hα-helixtrans-63.3-38.4176.500000111.5F63 D64 R70 A71F63-A67 HydrophobicContact CB-CB 4.33Å; F63-A67 HydrophobicContact CD1-CB 4.11Å; D64-A67 PolarHBondContact O-N 2.99Å; D64-A67 WeakPolarHBondContact OD1-CB 3.4Å; D64-A67 PolarHBondContact OD1-N 3.39Å; A67-R70 WeakPolarHBondContact O-CB 3.46Å; A67-R70 PolarHBondContact O-N 3.48Å; A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.37Å; A67-A71 PolarHBondContact O-N 3.31Å
68M98.4Very high95.9Very high4 Ų454.3 Ų54.32%0.0229%0.288CS..Hα-helixtrans-65.3-45.4176.9-174.656.472.300111.7F48 Q49 S50 A51 F63 D64 T66 R70 A71 L72 F298F48-M68 HydrophobicContact CB-CG 4.45Å; F48-M68 HydrophobicContact CB-SD 4.31Å; F48-M68 WeakPolarHBondContact O-CG 3.36Å; Q49-M68 VanDerWaalsContact O-CB 3.25Å; Q49-M68 WeakPolarHBondContact O-CB 3.45Å; S50-M68 WeakPolarHBondContact O-CE 3.49Å; A51-M68 HydrophobicContact CB-CE 3.43Å; A51-M68 VanDerWaalsContact CB-CE 3.43Å; F63-M68 HydrophobicContact CB-CB 4.48Å; F63-M68 HydrophobicContact CB-CE 3.85Å; F63-M68 HydrophobicContact CG-CE 4.41Å; D64-M68 VanDerWaalsContact O-CB 3.26Å; D64-M68 WeakPolarHBondContact O-CB 3.49Å; D64-M68 PolarHBondContact O-N 3.44Å; T66-M68 VanDerWaalsContact C-N 3.31Å; T66-M68 PolarHBondContact O-N 3.4Å; M68-R70 PolarHBondContact O-N 3.32Å; M68-A71 WeakPolarHBondContact O-CB 3.44Å; M68-A71 PolarHBondContact O-N 2.87Å; M68-A71 HydrophobicContact SD-CB 4.47Å; M68-L72 HydrophobicContact CG-CD1 3.85Å; M68-L72 HydrophobicContact CG-CG 4.29Å; M68-L72 WeakPolarHBondContact O-CG 3.35Å; M68-L72 PolarHBondContact O-N 3.02Å; M68-L72 HydrophobicContact SD-CD1 3.92Å; M68-L72 HydrophobicContact SD-CD2 4.16Å; M68-L72 HydrophobicContact SD-CG 3.84Å; M68-F298 HydrophobicContact CE-CE2 3.85Å; M68-F298 HydrophobicContact SD-CD2 4.23Å; M68-F298 HydrophobicContact SD-CE2 4.05Å
69K98Very high96.3Very high57 Ų5752.8 Ų52.825%0.24827%0.272CS..Hα-helixtrans-55.9-40.2174.2-76.3172.7-172.3173.40111.9P43 N44 E65 T66 Q73P43-K69 HydrophobicContact CB-CB 3.96Å; P43-K69 HydrophobicContact CB-CG 4.09Å; P43-K69 HydrophobicContact CG-CB 4.36Å; N44-K69 WeakPolarHBondContact OD1-CE 3.48Å; N44-K69 PolarHBondContact OD1-NZ 3.09Å; E65-K69 VanDerWaalsContact O-CG 3.26Å; E65-K69 WeakPolarHBondContact O-CG 3.3Å; E65-K69 PolarHBondContact O-N 2.93Å; E65-K69 VanDerWaalsContact OE1-CE 3.27Å; E65-K69 WeakPolarHBondContact OE1-CE 3.41Å; E65-K69 IonicContact OE1-NZ 2.92Å; E65-K69 PolarHBondContact OE1-NZ 3.35Å; T66-K69 PolarHBondContact O-N 3.19Å; K69-Q73 WeakPolarHBondContact O-CB 3.45Å; K69-Q73 PolarHBondContact O-N 3.14Å
70R96.8Very high96.5Very high109 Ų10946 Ų4641%0.41124%0.24SC..Hα-helixtrans-67.1-44.5173.1-176.7-177.5176.8-147.1-4.7112T66 A67 M68 L72 Q73 E82 T297 L301T66-R70 PolarHBondContact O-N 2.92Å; T66-R70 VanDerWaalsContact O-N 3.16Å; A67-R70 WeakPolarHBondContact O-CB 3.46Å; A67-R70 PolarHBondContact O-N 3.48Å; M68-R70 PolarHBondContact O-N 3.32Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 PolarHBondContact O-N 3.48Å; R70-Q73 PolarHBondContact O-N 2.68Å; R70-Q73 VanDerWaalsContact O-N 3.15Å; R70-E82 IonicContact CZ-OE1 2.91Å; R70-E82 IonicContact CZ-OE2 2.67Å; R70-E82 IonicContact NH1-OE1 2.81Å; R70-E82 PolarHBondContact NH1-OE1 2.92Å; R70-E82 IonicContact NH2-OE1 3.31Å; R70-E82 PolarHBondContact NH2-OE1 3.48Å; R70-E82 IonicContact NH2-OE2 2.7Å; R70-E82 PolarHBondContact NH2-OE2 2.94Å; R70-T297 WeakPolarHBondContact O-CG2 3.22Å; R70-L301 HydrophobicContact CG-CD1 4.33Å
71A97.9Very high96.4Very high4 Ų446.9 Ų46.93%0.03325%0.247CC..Hα-helixtrans-63.7-29.8-176.600000113.7F63 A67 M68 T297 F298 L301F63-A71 HydrophobicContact CD1-CB 4.02Å; F63-A71 HydrophobicContact CE1-CB 3.97Å; A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.37Å; A67-A71 PolarHBondContact O-N 3.31Å; M68-A71 WeakPolarHBondContact O-CB 3.44Å; M68-A71 PolarHBondContact O-N 2.87Å; M68-A71 HydrophobicContact SD-CB 4.47Å; A71-T297 WeakPolarHBondContact O-CB 3.24Å; A71-F298 HydrophobicContact CB-CB 4.15Å; A71-F298 HydrophobicContact CB-CD2 3.73Å; A71-F298 HydrophobicContact CB-CG 4.36Å; A71-F298 PolarHBondContact O-N 3.29Å; A71-L301 HydrophobicContact CB-CD1 3.69Å
72L98.1Very high96.5Very high53 Ų5349 Ų4928%0.27726%0.256SS..THydrogen-bonded Turntrans-90.3-5.2178-60.1172.6000113.6F46 F48 M68 R70F46-L72 HydrophobicContact CB-CD1 3.83Å; F46-L72 HydrophobicContact CD2-CB 3.54Å; F46-L72 HydrophobicContact CD2-CD1 4.07Å; F46-L72 HydrophobicContact CD2-CG 4.49Å; F46-L72 HydrophobicContact CE2-CB 3.89Å; F46-L72 WeakPolarHBondContact CE2-O 3.14Å; F46-L72 HydrophobicContact CG-CB 4.41Å; F46-L72 HydrophobicContact CG-CD1 4.38Å; F48-L72 HydrophobicContact CB-CD1 3.95Å; F48-L72 HydrophobicContact CD2-CD1 3.99Å; F48-L72 HydrophobicContact CD2-CD2 3.9Å; F48-L72 HydrophobicContact CG-CD1 4.48Å; M68-L72 HydrophobicContact CG-CD1 3.85Å; M68-L72 HydrophobicContact CG-CG 4.29Å; M68-L72 WeakPolarHBondContact O-CG 3.35Å; M68-L72 PolarHBondContact O-N 3.02Å; M68-L72 HydrophobicContact SD-CD1 3.92Å; M68-L72 HydrophobicContact SD-CD2 4.16Å; M68-L72 HydrophobicContact SD-CG 3.84Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 PolarHBondContact O-N 3.48Å
73Q95.9Very high96.5Very high33 Ų3345.4 Ų45.415%0.15423%0.234CC..SBendtrans-96.7161-176.5-172.855.7-93.700112.3P41 K69 R70 T297P41-Q73 PolarHBondContact O-NE2 3.37Å; K69-Q73 WeakPolarHBondContact O-CB 3.45Å; K69-Q73 PolarHBondContact O-N 3.14Å; R70-Q73 PolarHBondContact O-N 2.68Å; R70-Q73 VanDerWaalsContact O-N 3.15Å; Q73-T297 WeakPolarHBondContact O-CB 3.4Å; Q73-T297 PolarHBondContact O-OG1 2.73Å
74Y92.7Very high96.5Very high126 Ų12646 Ų4649%0.49424%0.237SC..  trans-54.8142.1168.2-66.1-61.2000112.4P41 H294P41-Y74 HydrophobicContact CG-CE2 4.46Å; Y74-H294 VanDerWaalsContact CA-NE2 3.29Å; Y74-H294 WeakPolarHBondContact CA-NE2 3.21Å; Y74-H294 AromaticContact CD1-NE2 3.47Å; Y74-H294 WeakPolarHBondContact CD1-NE2 3.49Å
75S91.6Very high96.5Very high17 Ų1745.3 Ų45.312%0.11924%0.237CC..  trans-131-176.317563.40000112.1H294 T297S75-H294 PolarHBondContact N-CD2 2.89Å; S75-H294 PolarHBondContact N-NE2 3.26Å; S75-H294 PolarHBondContact O-CD2 2.91Å; S75-H294 PolarHBondContact OG-ND1 2.76Å; S75-T297 WeakPolarHBondContact CB-OG1 3.49Å; S75-T297 PolarHBondContact OG-OG1 3.09Å
76A91.6Very high96.6Very high23 Ų2341.1 Ų41.119%0.1922%0.217CC..  trans-68.5141-178.100000111.7N78 G79 H294A76-N78 VanDerWaalsContact C-N 3.3Å; A76-N78 PolarHBondContact O-N 3.34Å; A76-G79 PolarHBondContact O-N 3.07Å; A76-H294 WeakPolarHBondContact O-CB 3.45Å
77S94.9Very high96.6Very high7 Ų736 Ų365%0.04919%0.185CC..THydrogen-bonded Turntrans-62.4-33.1-174.3-64.10000114.6G79 Q289 M293S77-G79 VanDerWaalsContact C-N 3.29Å; S77-Q289 WeakPolarHBondContact OG-CG 3.48Å; S77-M293 WeakPolarHBondContact CA-O 3.19Å; S77-M293 WeakPolarHBondContact CB-O 3.48Å; S77-M293 PolarHBondContact OG-O 3.35Å
78N95.9Very high96.7Very high52 Ų5238 Ų3828%0.27819%0.189SC..THydrogen-bonded Turntrans-82.2-5.2176.463.6-27.5000113.5A76 L84 V113 V285A76-N78 VanDerWaalsContact C-N 3.3Å; A76-N78 PolarHBondContact O-N 3.34Å; N78-L84 HydrophobicContact CB-CD1 4.44Å; N78-L84 WeakPolarHBondContact O-CD2 3.4Å; N78-V113 PolarHBondContact O-N 3.29Å; N78-V285 HydrophobicContact CB-CG1 4.49Å; N78-V285 HydrophobicContact CB-CG2 3.9Å
79G97.5Very high96.7Very high1 Ų141.9 Ų41.91%0.0121%0.21CC..  trans116.4166.118000000113.8A76 S77 L84A76-G79 PolarHBondContact O-N 3.07Å; S77-G79 VanDerWaalsContact C-N 3.29Å; G79-L84 WeakPolarHBondContact O-CD1 3.23Å
80I97.4Very high96.7Very high1 Ų139.1 Ų39.11%0.00520%0.198CC..  trans-69.7141.4179.465177.5000111.1E82 L83 L84 T297 Q300 L301I80-E82 VanDerWaalsContact C-N 3.34Å; I80-E82 HydrophobicContact CD1-CG 3.96Å; I80-E82 HydrophobicContact CG1-CG 4.2Å; I80-E82 PolarHBondContact O-N 2.95Å; I80-L83 HydrophobicContact CD1-CB 4.14Å; I80-L83 HydrophobicContact CG1-CB 3.57Å; I80-L83 PolarHBondContact O-N 3.23Å; I80-L84 PolarHBondContact O-N 3.48Å; I80-T297 HydrophobicContact CG2-CG2 4.13Å; I80-Q300 HydrophobicContact CD1-CB 3.8Å; I80-Q300 HydrophobicContact CG1-CB 4.05Å; I80-Q300 HydrophobicContact CG2-CB 4.45Å; I80-L301 HydrophobicContact CD1-CB 4.5Å; I80-L301 HydrophobicContact CD1-CD2 3.64Å; I80-L301 HydrophobicContact CD1-CG 3.91Å
81P96.3Very high96.8Very high79 Ų7934 Ų3451%0.51318%0.178SC..Hα-helixtrans-58.2-39.6-170.9-27.135.1000114.9L84 T85P81-L84 PolarHBondContact O-N 2.82Å; P81-T85 WeakPolarHBondContact O-CB 3.35Å; P81-T85 PolarHBondContact O-N 2.79Å; P81-T85 PolarHBondContact O-OG1 3Å
82E97.6Very high96.8Very high49 Ų4938.9 Ų38.923%0.22920%0.199CC..Hα-helixtrans-65.9-40.3-179.658.4-92.6-131.900112.2R70 I80 T85 W86 L301 S304 H308R70-E82 IonicContact CZ-OE1 2.91Å; R70-E82 IonicContact CZ-OE2 2.67Å; R70-E82 IonicContact NH1-OE1 2.81Å; R70-E82 PolarHBondContact NH1-OE1 2.92Å; R70-E82 IonicContact NH2-OE1 3.31Å; R70-E82 PolarHBondContact NH2-OE1 3.48Å; R70-E82 IonicContact NH2-OE2 2.7Å; R70-E82 PolarHBondContact NH2-OE2 2.94Å; I80-E82 VanDerWaalsContact C-N 3.34Å; I80-E82 HydrophobicContact CD1-CG 3.96Å; I80-E82 HydrophobicContact CG1-CG 4.2Å; I80-E82 PolarHBondContact O-N 2.95Å; E82-T85 PolarHBondContact O-N 2.96Å; E82-W86 WeakPolarHBondContact O-CB 3.34Å; E82-W86 PolarHBondContact O-N 2.96Å; E82-L301 WeakPolarHBondContact OE1-CD2 3.47Å; E82-S304 WeakPolarHBondContact CG-OG 3.4Å; E82-H308 PolarHBondContact O-CE1 2.78Å; E82-H308 VanDerWaalsContact O-CE1 3.3Å
83L98.5Very high96.8Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-70.5-43178.1-176.460.3000110.5I80 T85 W86 M87 V113 Q300 V303 L307I80-L83 HydrophobicContact CD1-CB 4.14Å; I80-L83 HydrophobicContact CG1-CB 3.57Å; I80-L83 PolarHBondContact O-N 3.23Å; L83-T85 VanDerWaalsContact C-N 3.32Å; L83-T85 PolarHBondContact O-N 2.91Å; L83-W86 PolarHBondContact O-N 3.19Å; L83-M87 HydrophobicContact CD1-CE 4.49Å; L83-M87 HydrophobicContact CD1-CG 4.22Å; L83-M87 HydrophobicContact CD1-SD 4.21Å; L83-M87 HydrophobicContact CD2-CE 4.42Å; L83-M87 HydrophobicContact CG-CE 3.81Å; L83-M87 HydrophobicContact CG-CG 4.49Å; L83-M87 HydrophobicContact CG-SD 4.13Å; L83-M87 VanDerWaalsContact O-CG 3.32Å; L83-M87 WeakPolarHBondContact O-CG 3.28Å; L83-M87 PolarHBondContact O-N 2.62Å; L83-V113 HydrophobicContact CD2-CG2 4.25Å; L83-Q300 HydrophobicContact CD2-CB 3.98Å; L83-Q300 HydrophobicContact CD2-CG 4.01Å; L83-V303 HydrophobicContact CD1-CG1 4.26Å; L83-L307 HydrophobicContact CD1-CD1 3.87Å
84L98.4Very high96.8Very high13 Ų1341.2 Ų41.27%0.06821%0.213CC..Hα-helixtrans-58.2-44.5174.5-80.1172.5000112.1N78 G79 I80 P81 M87 K88 M111 V113N78-L84 HydrophobicContact CB-CD1 4.44Å; N78-L84 WeakPolarHBondContact O-CD2 3.4Å; G79-L84 WeakPolarHBondContact O-CD1 3.23Å; I80-L84 PolarHBondContact O-N 3.48Å; P81-L84 PolarHBondContact O-N 2.82Å; L84-M87 HydrophobicContact CD2-CE 4.28Å; L84-M87 PolarHBondContact O-N 3.5Å; L84-K88 WeakPolarHBondContact O-CB 3.47Å; L84-K88 VanDerWaalsContact O-CG 3.27Å; L84-K88 WeakPolarHBondContact O-CG 3.29Å; L84-K88 PolarHBondContact O-N 3.14Å; L84-M111 HydrophobicContact CD2-CB 4.34Å; L84-V113 HydrophobicContact CD2-CG2 4.07Å; L84-V113 HydrophobicContact CG-CG2 4.41Å
85T98.1Very high97.1Very high81 Ų8135.6 Ų35.650%0.49719%0.191SC..Hα-helixtrans-63.7-47.2179.3-58.80000111P81 E82 L83 M87 K88 N89P81-T85 WeakPolarHBondContact O-CB 3.35Å; P81-T85 PolarHBondContact O-N 2.79Å; P81-T85 PolarHBondContact O-OG1 3Å; E82-T85 PolarHBondContact O-N 2.96Å; L83-T85 VanDerWaalsContact C-N 3.32Å; L83-T85 PolarHBondContact O-N 2.91Å; T85-M87 PolarHBondContact O-N 3.26Å; T85-K88 PolarHBondContact O-N 3.1Å; T85-N89 PolarHBondContact O-N 3.47Å; T85-N89 VanDerWaalsContact O-N 3.08Å; T85-N89 PolarHBondContact O-ND2 3.34Å
86W98.7Very high97.4Very high22 Ų2240.2 Ų40.28%0.08321%0.214CC..Hα-helixtrans-59.3-48.1177.9-170103.9000111.6E82 L83 N89 L90 L307 H308 F315E82-W86 WeakPolarHBondContact O-CB 3.34Å; E82-W86 PolarHBondContact O-N 2.96Å; L83-W86 PolarHBondContact O-N 3.19Å; W86-N89 PolarHBondContact O-N 2.92Å; W86-L90 HydrophobicContact CE3-CB 4.26Å; W86-L90 HydrophobicContact CH2-CB 4.35Å; W86-L90 HydrophobicContact CH2-CD1 4.15Å; W86-L90 HydrophobicContact CH2-CD2 3.92Å; W86-L90 HydrophobicContact CH2-CG 4.35Å; W86-L90 HydrophobicContact CZ3-CB 3.87Å; W86-L90 HydrophobicContact CZ3-CD1 4.42Å; W86-L90 HydrophobicContact CZ3-CD2 3.54Å; W86-L90 HydrophobicContact CZ3-CG 4.13Å; W86-L90 PolarHBondContact O-N 3.47Å; W86-L307 HydrophobicContact CD2-CB 3.96Å; W86-L307 HydrophobicContact CD2-CD1 4.25Å; W86-L307 HydrophobicContact CE3-CB 4.34Å; W86-L307 HydrophobicContact CE3-CD1 3.81Å; W86-L307 HydrophobicContact CG-CB 4.4Å; W86-L307 HydrophobicContact CH2-CB 4.37Å; W86-L307 HydrophobicContact CH2-CD1 4.26Å; W86-L307 HydrophobicContact CH2-CD2 3.81Å; W86-L307 HydrophobicContact CH2-CG 4.36Å; W86-L307 HydrophobicContact CZ2-CB 3.95Å; W86-L307 HydrophobicContact CZ2-CD2 4.04Å; W86-L307 HydrophobicContact CZ2-CG 4.41Å; W86-L307 HydrophobicContact CZ3-CD1 3.81Å; W86-L307 HydrophobicContact CZ3-CD2 4.19Å; W86-L307 HydrophobicContact CZ3-CG 4.4Å; W86-L307 PolarHBondContact NE1-O 3.19Å; W86-L307 VanDerWaalsContact NE1-O 3.07Å; W86-H308 AromaticContact CD1-CD2 3.96Å; W86-H308 AromaticContact CD1-CE1 3.86Å; W86-H308 AromaticContact CD1-ND1 3.97Å; W86-H308 AromaticContact CD1-NE2 3.86Å; W86-F315 HydrophobicContact CH2-CB 4.11Å; W86-F315 AromaticContact CH2-CD1 3.88Å; W86-F315 HydrophobicContact CH2-CD1 3.88Å; W86-F315 HydrophobicContact CH2-CD2 4.21Å; W86-F315 HydrophobicContact CH2-CE1 4.36Å; W86-F315 AromaticContact CH2-CG 3.8Å; W86-F315 HydrophobicContact CH2-CG 3.8Å; W86-F315 HydrophobicContact CZ2-CB 4.08Å; W86-F315 HydrophobicContact CZ2-CG 4.28Å
87M98.4Very high97.7Very high0 Ų039.2 Ų39.20%021%0.206CC..Hα-helixtrans-70.7-33.4-179.2-60.1179.5-60.100112.5L83 L84 T85 N89 L90 Q91 M111 V113 F261 F273L83-M87 HydrophobicContact CD1-CE 4.49Å; L83-M87 HydrophobicContact CD1-CG 4.22Å; L83-M87 HydrophobicContact CD1-SD 4.21Å; L83-M87 HydrophobicContact CD2-CE 4.42Å; L83-M87 HydrophobicContact CG-CE 3.81Å; L83-M87 HydrophobicContact CG-CG 4.49Å; L83-M87 HydrophobicContact CG-SD 4.13Å; L83-M87 VanDerWaalsContact O-CG 3.32Å; L83-M87 WeakPolarHBondContact O-CG 3.28Å; L83-M87 PolarHBondContact O-N 2.62Å; L84-M87 HydrophobicContact CD2-CE 4.28Å; L84-M87 PolarHBondContact O-N 3.5Å; T85-M87 PolarHBondContact O-N 3.26Å; M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 3.25Å; M87-L90 WeakPolarHBondContact O-CB 3.32Å; M87-L90 PolarHBondContact O-N 3.1Å; M87-Q91 WeakPolarHBondContact O-CG 3.42Å; M87-Q91 PolarHBondContact O-N 3.15Å; M87-M111 HydrophobicContact CB-CE 3.47Å; M87-M111 VanDerWaalsContact CB-CE 3.47Å; M87-M111 HydrophobicContact CE-CE 4.14Å; M87-V113 HydrophobicContact CE-CG2 3.41Å; M87-V113 VanDerWaalsContact CE-CG2 3.41Å; M87-F261 HydrophobicContact CG-CZ 4.4Å; M87-F261 HydrophobicContact SD-CE2 3.98Å; M87-F261 HydrophobicContact SD-CZ 4.13Å; M87-F273 HydrophobicContact CE-CB 4.43Å; M87-F273 HydrophobicContact SD-CB 4.36Å; M87-F273 HydrophobicContact SD-CD1 3.59Å; M87-F273 VanDerWaalsContact SD-CD1 3.59Å; M87-F273 HydrophobicContact SD-CE1 3.97Å; M87-F273 HydrophobicContact SD-CG 3.98Å
88K98.1Very high97.9Very high67 Ų6741.2 Ų41.229%0.29122%0.219SC..Hα-helixtrans-60.9-39.9172.9-80.6-179.1177.4-167.60111.6L84 T85 K92 D110 M111L84-K88 WeakPolarHBondContact O-CB 3.47Å; L84-K88 VanDerWaalsContact O-CG 3.27Å; L84-K88 WeakPolarHBondContact O-CG 3.29Å; L84-K88 PolarHBondContact O-N 3.14Å; T85-K88 PolarHBondContact O-N 3.1Å; K88-K92 WeakPolarHBondContact O-CB 3.4Å; K88-K92 PolarHBondContact O-N 2.89Å; K88-D110 IonicContact NZ-OD1 2.75Å; K88-D110 PolarHBondContact NZ-OD1 3.21Å; K88-M111 HydrophobicContact CB-SD 4.23Å; K88-M111 HydrophobicContact CG-CB 4.44Å; K88-M111 HydrophobicContact CG-CG 4.23Å; K88-M111 HydrophobicContact CG-SD 3.48Å; K88-M111 WeakPolarHBondContact CG-SD 3.26Å
89N98.3Very high98Very high85 Ų8538.9 Ų38.946%0.45521%0.207SC..Hα-helixtrans-66.1-44.3174-67.2-21.4000111.1T85 W86 M87 Q91 K92 D93T85-N89 PolarHBondContact O-N 3.47Å; T85-N89 VanDerWaalsContact O-N 3.08Å; T85-N89 PolarHBondContact O-ND2 3.34Å; W86-N89 PolarHBondContact O-N 2.92Å; M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 3.25Å; N89-Q91 PolarHBondContact O-N 2.82Å; N89-K92 WeakPolarHBondContact O-CB 3.28Å; N89-K92 PolarHBondContact O-N 2.67Å; N89-D93 PolarHBondContact O-N 2.8Å
90L98.2Very high97.9Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-57-47.6174.8-176.271.6000111.9W86 M87 K92 D93 L94 F235 Q312 F315W86-L90 HydrophobicContact CE3-CB 4.26Å; W86-L90 HydrophobicContact CH2-CB 4.35Å; W86-L90 HydrophobicContact CH2-CD1 4.15Å; W86-L90 HydrophobicContact CH2-CD2 3.92Å; W86-L90 HydrophobicContact CH2-CG 4.35Å; W86-L90 HydrophobicContact CZ3-CB 3.87Å; W86-L90 HydrophobicContact CZ3-CD1 4.42Å; W86-L90 HydrophobicContact CZ3-CD2 3.54Å; W86-L90 HydrophobicContact CZ3-CG 4.13Å; W86-L90 PolarHBondContact O-N 3.47Å; M87-L90 WeakPolarHBondContact O-CB 3.32Å; M87-L90 PolarHBondContact O-N 3.1Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.74Å; L90-D93 PolarHBondContact O-N 2.9Å; L90-L94 HydrophobicContact CD1-CD1 3.68Å; L90-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CD2-CD1 4.12Å; L90-L94 HydrophobicContact CG-CD1 3.65Å; L90-L94 HydrophobicContact CG-CG 4.16Å; L90-L94 WeakPolarHBondContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.29Å; L90-F235 HydrophobicContact CD2-CZ 4.18Å; L90-Q312 HydrophobicContact CD1-CG 4.18Å; L90-F315 HydrophobicContact CD1-CD1 4.13Å; L90-F315 HydrophobicContact CD1-CE1 4.05Å; L90-F315 HydrophobicContact CD2-CE1 3.86Å; L90-F315 HydrophobicContact CD2-CZ 4.28Å
91Q98.4Very high97.8Very high0 Ų044.8 Ų44.80%025%0.254CS..Hα-helixtrans-61.9-39.7178.4-68.3-56.397.700111.8M87 N89 H95 M109 M111 F273 T275M87-Q91 WeakPolarHBondContact O-CG 3.42Å; M87-Q91 PolarHBondContact O-N 3.15Å; N89-Q91 PolarHBondContact O-N 2.82Å; Q91-H95 PolarHBondContact NE2-CD2 2.85Å; Q91-H95 WeakPolarHBondContact O-CB 3.28Å; Q91-H95 PolarHBondContact O-N 3.49Å; Q91-M109 HydrophobicContact CB-SD 4.46Å; Q91-M111 HydrophobicContact CB-SD 4.35Å; Q91-M111 HydrophobicContact CG-CE 4.13Å; Q91-M111 HydrophobicContact CG-SD 3.64Å; Q91-F273 HydrophobicContact CG-CE2 4.26Å; Q91-T275 HydrophobicContact CG-CG2 4.45Å; Q91-T275 PolarHBondContact NE2-OG1 3.47Å
92K97.9Very high97.9Very high107 Ų10744.9 Ų44.947%0.46525%0.245SC..Hα-helixtrans-62.7-45175.8177.1-179.4174.4-168.40111.3K88 N89 L90 N96 I100K88-K92 WeakPolarHBondContact O-CB 3.4Å; K88-K92 PolarHBondContact O-N 2.89Å; N89-K92 WeakPolarHBondContact O-CB 3.28Å; N89-K92 PolarHBondContact O-N 2.67Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.74Å; K92-N96 WeakPolarHBondContact O-CA 3.11Å; K92-N96 PolarHBondContact O-N 2.91Å; K92-I100 HydrophobicContact CB-CD1 4.03Å; K92-I100 HydrophobicContact CD-CD1 4.35Å; K92-I100 HydrophobicContact CG-CD1 3.77Å
93D97.6Very high97.9Very high96 Ų9645.5 Ų45.551%0.51326%0.255SS..Hα-helixtrans-75.9-35.7-175.2-69.9-3.1000112.4N89 L90 Q312N89-D93 PolarHBondContact O-N 2.8Å; L90-D93 PolarHBondContact O-N 2.9Å; D93-Q312 PolarHBondContact OD2-NE2 3.21Å; D93-Q312 PolarHBondContact OD2-OE1 2.75Å; D93-Q312 VanDerWaalsContact OD2-OE1 3.07Å
94L97.4Very high97.7Very high40 Ų4050.6 Ų50.621%0.20928%0.278CS..Hα-helixtrans-79.5-34.6179.3-68.8-178.8000113.6L90 Y234 F235 W242 L316L90-L94 HydrophobicContact CD1-CD1 3.68Å; L90-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CD2-CD1 4.12Å; L90-L94 HydrophobicContact CG-CD1 3.65Å; L90-L94 HydrophobicContact CG-CG 4.16Å; L90-L94 WeakPolarHBondContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.29Å; L94-Y234 HydrophobicContact CD1-CE1 4.17Å; L94-F235 HydrophobicContact CD1-CE1 3.66Å; L94-F235 HydrophobicContact CD1-CZ 3.64Å; L94-W242 HydrophobicContact CD2-CZ3 4.22Å; L94-L316 HydrophobicContact CD2-CD2 4.47Å
95H98.4Very high97.6Very high8 Ų857.4 Ų57.44%0.03731%0.31CS..Hα-helixtrans-122.5-20.3-169.1-50.8-52.1000113.8Q91 P97 Y234 T245 L247 S248Q91-H95 PolarHBondContact NE2-CD2 2.85Å; Q91-H95 WeakPolarHBondContact O-CB 3.28Å; Q91-H95 PolarHBondContact O-N 3.49Å; H95-P97 HydrophobicContact CB-CG 4Å; H95-Y234 AromaticContact CE1-CE1 3.83Å; H95-Y234 AromaticContact CE1-CE2 3.94Å; H95-Y234 AromaticContact CE1-CZ 3.51Å; H95-Y234 PolarHBondContact CE1-OH 2.67Å; H95-T245 VanDerWaalsContact CE1-CG2 3.48Å; H95-T245 WeakPolarHBondContact CE1-CG2 3.24Å; H95-T245 WeakPolarHBondContact ND1-CG2 3.3Å; H95-T245 PolarHBondContact ND1-OG1 3.01Å; H95-L247 HydrophobicContact CB-CD2 4.36Å; H95-S248 VanDerWaalsContact O-CA 3.24Å; H95-S248 WeakPolarHBondContact O-CA 3.38Å; H95-S248 WeakPolarHBondContact O-CB 3.39Å
96N98.2Very high97.4Very high113 Ų11360.3 Ų60.360%0.60432%0.316SS*.  trans38.858.7-173.4-173.138.2000113.8K92K92-N96 WeakPolarHBondContact O-CA 3.11Å; K92-N96 PolarHBondContact O-N 2.91Å
97P98.3Very high97.4Very high3 Ų359.2 Ų59.22%0.01931%0.312CS..  trans-62.4133.4-170.6-24.838.3000111.9H95 T99 I100 M109 L247H95-P97 HydrophobicContact CB-CG 4Å; P97-T99 PolarHBondContact O-N 3.4Å; P97-I100 HydrophobicContact CB-CG1 4.43Å; P97-I100 WeakPolarHBondContact O-CG1 3.24Å; P97-I100 PolarHBondContact O-N 2.86Å; P97-M109 HydrophobicContact CB-SD 4.16Å; P97-M109 HydrophobicContact CG-SD 3.73Å; P97-L247 HydrophobicContact CB-CD1 4.17Å; P97-L247 HydrophobicContact CB-CG 4.13Å; P97-L247 HydrophobicContact CG-CD1 4.19Å; P97-L247 HydrophobicContact CG-CD2 3.95Å; P97-L247 HydrophobicContact CG-CG 3.73Å
98P98.1Very high97.4Very high49 Ų4962.1 Ų62.132%0.31833%0.325SS..G310 helixtrans-58.1-21.5179.5-25.133.9000114.1Y102 V251P98-Y102 WeakPolarHBondContact O-CE1 3.18Å; P98-V251 HydrophobicContact CB-CG1 4.16Å; P98-V251 HydrophobicContact CG-CG1 4Å
99T98.1Very high97.4Very high3 Ų359.9 Ų59.92%0.01832%0.316CS..G310 helixtrans-83.7-3.3-175.450.40000114.8P97 G101 Y102 Q108 M109 D250P97-T99 PolarHBondContact O-N 3.4Å; T99-G101 VanDerWaalsContact C-N 3.27Å; T99-G101 PolarHBondContact O-N 3.34Å; T99-Y102 HydrophobicContact CG2-CD2 3.88Å; T99-Y102 HydrophobicContact CG2-CE2 3.84Å; T99-Y102 PolarHBondContact O-N 3.11Å; T99-Q108 WeakPolarHBondContact O-CA 3.33Å; T99-M109 PolarHBondContact O-N 3.45Å; T99-M109 VanDerWaalsContact O-N 3.11Å; T99-D250 WeakPolarHBondContact CG2-O 3.4Å
100I96.1Very high97.4Very high52 Ų5256.7 Ų56.727%0.26730%0.299SS..G310 helixtrans-56.5-42.6179.5-69.1164.1000111.6K92 P97 Y102 Q108 M109K92-I100 HydrophobicContact CB-CD1 4.03Å; K92-I100 HydrophobicContact CD-CD1 4.35Å; K92-I100 HydrophobicContact CG-CD1 3.77Å; P97-I100 HydrophobicContact CB-CG1 4.43Å; P97-I100 WeakPolarHBondContact O-CG1 3.24Å; P97-I100 PolarHBondContact O-N 2.86Å; I100-Y102 VanDerWaalsContact C-N 3.35Å; I100-Q108 PolarHBondContact O-NE2 3.37Å; I100-M109 HydrophobicContact CG1-CB 4.37Å; I100-M109 HydrophobicContact CG1-CE 4.05Å; I100-M109 HydrophobicContact CG1-SD 3.93Å
101G94.6Very high97.4Very high73 Ų7356.7 Ų56.775%0.75330%0.299SS*.G310 helixtrans-86.42.3-17600000115T99T99-G101 VanDerWaalsContact C-N 3.27Å; T99-G101 PolarHBondContact O-N 3.34Å
102Y98Very high97.4Very high82 Ų8256.7 Ų56.732%0.32230%0.299SS..SBendtrans-74.8158.1-177.1-73.412.6000111P98 T99 I100 Q108 V251P98-Y102 WeakPolarHBondContact O-CE1 3.18Å; T99-Y102 HydrophobicContact CG2-CD2 3.88Å; T99-Y102 HydrophobicContact CG2-CE2 3.84Å; T99-Y102 PolarHBondContact O-N 3.11Å; I100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-Q108 VanDerWaalsContact O-CB 3.29Å; Y102-Q108 WeakPolarHBondContact O-CB 3.3Å; Y102-Q108 VanDerWaalsContact O-CD 3.31Å; Y102-Q108 VanDerWaalsContact O-CG 3.25Å; Y102-Q108 WeakPolarHBondContact O-CG 3.39Å; Y102-V251 PolarHBondContact OH-O 3.26Å
103S97.4Very high97.5Very high61 Ų6151.7 Ų51.743%0.42728%0.277SS..  trans-69.4150.8166.558.30000110.3E105 K106 G107 Q108S103-E105 VanDerWaalsContact C-N 3.32Å; S103-E105 PolarHBondContact O-N 3.02Å; S103-K106 WeakPolarHBondContact O-CA 3.4Å; S103-K106 PolarHBondContact O-N 3.42Å; S103-K106 WeakPolarHBondContact OG-CB 3.45Å; S103-K106 VanDerWaalsContact OG-CG 3.3Å; S103-K106 WeakPolarHBondContact OG-CG 3.24Å; S103-G107 PolarHBondContact O-N 3.11Å; S103-Q108 PolarHBondContact O-N 2.86Å
104Q95.9Very high97.5Very high107 Ų10747.1 Ų47.150%0.525%0.253SS..G310 helixtrans-47.6-50.9-179.6-61.7-168.912.800113K106 G107 K278 P279Q104-K106 PolarHBondContact O-N 3.1Å; Q104-G107 PolarHBondContact O-N 2.94Å; Q104-G107 VanDerWaalsContact O-N 3.08Å; Q104-K278 HydrophobicContact CB-CD 3.84Å; Q104-K278 HydrophobicContact CG-CD 3.68Å; Q104-P279 WeakPolarHBondContact O-CD 3.36Å; Q104-P279 WeakPolarHBondContact O-CG 3.12Å
105E94.8Very high97.6Very high156 Ų15647.1 Ų47.173%0.72926%0.255SS*.G310 helixtrans-61.4-26.4179.9-43.8-63.517800113.7S103 G107S103-E105 VanDerWaalsContact C-N 3.32Å; S103-E105 PolarHBondContact O-N 3.02Å; E105-G107 VanDerWaalsContact C-N 3.33Å
106K95.4Very high97.6Very high142 Ų14246.8 Ų46.862%0.61725%0.253SS*.G310 helixtrans-92.68.3-178.8-70.6-171.8175.1-175.60112.9S103 Q104S103-K106 WeakPolarHBondContact O-CA 3.4Å; S103-K106 PolarHBondContact O-N 3.42Å; S103-K106 WeakPolarHBondContact OG-CB 3.45Å; S103-K106 VanDerWaalsContact OG-CG 3.3Å; S103-K106 WeakPolarHBondContact OG-CG 3.24Å; Q104-K106 PolarHBondContact O-N 3.1Å
107G97.6Very high97.6Very high0 Ų042 Ų420%023%0.228CC..THydrogen-bonded Turntrans89.639.2177.200000114Y3 S103 Q104 E105 M109Y3-G107 WeakPolarHBondContact OH-CA 3.27Å; S103-G107 PolarHBondContact O-N 3.11Å; Q104-G107 PolarHBondContact O-N 2.94Å; Q104-G107 VanDerWaalsContact O-N 3.08Å; E105-G107 VanDerWaalsContact C-N 3.33Å; G107-M109 PolarHBondContact O-N 3.47Å
108Q98.5Very high97.6Very high61 Ų6144 Ų4429%0.28524%0.238SC..  trans-47.7135.6168.4-169.9174.927.700110.7T99 I100 Y102 S103 D110 K278T99-Q108 WeakPolarHBondContact O-CA 3.33Å; I100-Q108 PolarHBondContact O-NE2 3.37Å; Y102-Q108 VanDerWaalsContact O-CB 3.29Å; Y102-Q108 WeakPolarHBondContact O-CB 3.3Å; Y102-Q108 VanDerWaalsContact O-CD 3.31Å; Y102-Q108 VanDerWaalsContact O-CG 3.25Å; Y102-Q108 WeakPolarHBondContact O-CG 3.39Å; S103-Q108 PolarHBondContact O-N 2.86Å; Q108-D110 PolarHBondContact O-N 3.36Å; Q108-D110 VanDerWaalsContact O-N 3.16Å; Q108-K278 WeakPolarHBondContact O-CB 3.48Å; Q108-K278 PolarHBondContact O-N 3.08Å
109M98.3Very high97.6Very high20 Ų2043.1 Ų43.110%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-56.5120.7173.6-173.6-163.278.200109.8Q91 P97 T99 I100 G107 T275Q91-M109 HydrophobicContact CB-SD 4.46Å; P97-M109 HydrophobicContact CB-SD 4.16Å; P97-M109 HydrophobicContact CG-SD 3.73Å; T99-M109 PolarHBondContact O-N 3.45Å; T99-M109 VanDerWaalsContact O-N 3.11Å; I100-M109 HydrophobicContact CG1-CB 4.37Å; I100-M109 HydrophobicContact CG1-CE 4.05Å; I100-M109 HydrophobicContact CG1-SD 3.93Å; G107-M109 PolarHBondContact O-N 3.47Å; M109-T275 HydrophobicContact CG-CG2 3.73Å; M109-T275 HydrophobicContact SD-CG2 4.05Å
110D98.3Very high97.7Very high17 Ų1743 Ų439%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-131.8170.2171.7-151.50000110.6K88 Q108 T275 G276 K278 V281K88-D110 IonicContact NZ-OD1 2.75Å; K88-D110 PolarHBondContact NZ-OD1 3.21Å; Q108-D110 PolarHBondContact O-N 3.36Å; Q108-D110 VanDerWaalsContact O-N 3.16Å; D110-T275 WeakPolarHBondContact O-CA 3.35Å; D110-G276 PolarHBondContact N-O 3.3Å; D110-G276 PolarHBondContact O-N 3.08Å; D110-K278 HydrophobicContact CB-CB 3.94Å; D110-K278 HydrophobicContact CB-CG 4.21Å; D110-K278 IonicContact OD2-NZ 2.72Å; D110-K278 PolarHBondContact OD2-NZ 2.89Å; D110-V281 HydrophobicContact CB-CB 4.33Å; D110-V281 HydrophobicContact CB-CG1 4.34Å; D110-V281 HydrophobicContact CB-CG2 4.43Å
111M98.1Very high97.8Very high1 Ų140.5 Ų40.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-143.1151.1-173.5-71.31805400113.1L84 M87 K88 Q91 F273 V274 T275L84-M111 HydrophobicContact CD2-CB 4.34Å; M87-M111 HydrophobicContact CB-CE 3.47Å; M87-M111 VanDerWaalsContact CB-CE 3.47Å; M87-M111 HydrophobicContact CE-CE 4.14Å; K88-M111 HydrophobicContact CB-SD 4.23Å; K88-M111 HydrophobicContact CG-CB 4.44Å; K88-M111 HydrophobicContact CG-CG 4.23Å; K88-M111 HydrophobicContact CG-SD 3.48Å; K88-M111 WeakPolarHBondContact CG-SD 3.26Å; Q91-M111 HydrophobicContact CB-SD 4.35Å; Q91-M111 HydrophobicContact CG-CE 4.13Å; Q91-M111 HydrophobicContact CG-SD 3.64Å; M111-F273 HydrophobicContact CE-CD2 3.55Å; M111-F273 HydrophobicContact CE-CE2 3.97Å; M111-F273 HydrophobicContact CE-CG 4.2Å; M111-V274 VanDerWaalsContact CA-O 3.22Å; M111-V274 WeakPolarHBondContact CA-O 3.37Å; M111-T275 HydrophobicContact CG-CG2 3.92Å; M111-T275 HydrophobicContact SD-CG2 4.49Å
112C98.6Very high98Very high0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-139.1127.4174.2-178.50000110.1F273 V274 V281 V285 I288C112-F273 CarbonylContact O-C 3.58Å; C112-F273 VanDerWaalsContact O-CA 3.22Å; C112-F273 WeakPolarHBondContact O-CA 3.23Å; C112-F273 WeakPolarHBondContact O-CB 3.41Å; C112-V274 PolarHBondContact N-O 2.72Å; C112-V274 PolarHBondContact O-N 2.86Å; C112-V281 HydrophobicContact CB-CG1 3.97Å; C112-V285 HydrophobicContact CB-CG2 4.05Å; C112-I288 WeakPolarHBondContact SG-CD1 3.23Å
113V98.9Very high98Very high1 Ų135.5 Ų35.51%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-68.5136.4166.5-176.70000109.1N78 L83 L84 M87 I271 T295 Q300N78-V113 PolarHBondContact O-N 3.29Å; L83-V113 HydrophobicContact CD2-CG2 4.25Å; L84-V113 HydrophobicContact CD2-CG2 4.07Å; L84-V113 HydrophobicContact CG-CG2 4.41Å; M87-V113 HydrophobicContact CE-CG2 3.41Å; M87-V113 VanDerWaalsContact CE-CG2 3.41Å; V113-I271 HydrophobicContact CG1-CG2 4.19Å; V113-T295 HydrophobicContact CG1-CG2 4.23Å; V113-Q300 HydrophobicContact CG1-CG 4.23Å
114T98.9Very high98.1Very high0 Ų032.6 Ų32.60%016%0.159CC..EExtended strand (participates in β ladder)trans-127.2160.3178640000110.9G116 E119 G272 V274 I288 T295T114-G116 WeakPolarHBondContact CB-O 3.44Å; T114-G116 PolarHBondContact O-N 3.07Å; T114-G116 PolarHBondContact OG1-O 3.23Å; T114-E119 WeakPolarHBondContact CA-OE2 3.34Å; T114-E119 WeakPolarHBondContact CB-OE2 3.34Å; T114-G272 PolarHBondContact N-O 2.77Å; T114-G272 PolarHBondContact O-N 3.11Å; T114-V274 HydrophobicContact CG2-CG2 3.91Å; T114-I288 HydrophobicContact CG2-CD1 4.28Å; T114-T295 WeakPolarHBondContact CA-OG1 3.38Å; T114-T295 PolarHBondContact O-OG1 3.38Å
115T98.6Very high98.2Very high41 Ų4127.6 Ų27.625%0.25214%0.136SC..SBendtrans-75.459.9-180-50.60000110.2E119 R270 T295T115-E119 WeakPolarHBondContact CB-OE2 3.2Å; T115-E119 PolarHBondContact N-OE2 3.08Å; T115-E119 PolarHBondContact OG1-OE2 2.86Å; T115-R270 CarbonylContact C-O 3.6Å; T115-R270 VanDerWaalsContact C-O 3.24Å; T115-R270 WeakPolarHBondContact CA-O 3.42Å; T115-R270 HydrophobicContact CG2-CB 3.67Å; T115-R270 HydrophobicContact CG2-CG 4.38Å; T115-R270 PolarHBondContact O-NH2 3.01Å; T115-T295 PolarHBondContact N-OG1 3.41Å; T115-T295 PolarHBondContact OG1-OG1 3.25Å
116G98.4Very high98.4Very high0 Ų024.2 Ų24.20%012%0.12CC..SBendtrans84.7156.4-162.100000112.4T114 Q118 E119 R270T114-G116 WeakPolarHBondContact CB-O 3.44Å; T114-G116 PolarHBondContact O-N 3.07Å; T114-G116 PolarHBondContact OG1-O 3.23Å; G116-Q118 VanDerWaalsContact C-N 3.26Å; G116-Q118 PolarHBondContact O-N 3.47Å; G116-E119 PolarHBondContact O-N 3.24Å; G116-R270 VanDerWaalsContact N-C 3.28Å; G116-R270 PolarHBondContact N-O 3.44Å
117S98.4Very high98.6Very high13 Ų1317.8 Ų17.89%0.0919%0.092CC..Hα-helixtrans-59.9-34.9-17957.90000113E119 G120 L121 D259S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.21Å; S117-G120 WeakPolarHBondContact O-CA 3.47Å; S117-G120 PolarHBondContact O-N 2.79Å; S117-L121 PolarHBondContact O-N 3.31Å; S117-D259 WeakPolarHBondContact CB-O 3.31Å
118Q98.6Very high98.6Very high46 Ų4617.8 Ų17.822%0.2159%0.092CC..Hα-helixtrans-60.7-33.8179-169.564.941.100113.3G116 G120 L121 C122G116-Q118 VanDerWaalsContact C-N 3.26Å; G116-Q118 PolarHBondContact O-N 3.47Å; Q118-G120 VanDerWaalsContact C-N 3.34Å; Q118-L121 PolarHBondContact O-N 2.92Å; Q118-C122 PolarHBondContact O-N 2.9Å; Q118-C122 PolarHBondContact O-SG 3.43Å
119E98.8Very high98.6Very high29 Ų2915.3 Ų15.314%0.1368%0.081CC..Hα-helixtrans-62.9-45.5174.1-178-164.7-142.600110.1T114 T115 G116 S117 C122 K123 T292T114-E119 WeakPolarHBondContact CA-OE2 3.34Å; T114-E119 WeakPolarHBondContact CB-OE2 3.34Å; T115-E119 WeakPolarHBondContact CB-OE2 3.2Å; T115-E119 PolarHBondContact N-OE2 3.08Å; T115-E119 PolarHBondContact OG1-OE2 2.86Å; G116-E119 PolarHBondContact O-N 3.24Å; S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.21Å; E119-C122 PolarHBondContact O-N 3.31Å; E119-K123 HydrophobicContact CG-CD 4.17Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.4Å; E119-K123 PolarHBondContact O-N 2.69Å; E119-K123 VanDerWaalsContact O-N 3.09Å; E119-T292 WeakPolarHBondContact OE1-CB 3.39Å; E119-T292 VanDerWaalsContact OE1-CG2 3.28Å; E119-T292 WeakPolarHBondContact OE1-CG2 3.45Å; E119-T292 PolarHBondContact OE1-OG1 2.82Å
120G98.7Very high98.6Very high0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-58.4-48.5175.400000111.4S117 Q118 K123 I124S117-G120 WeakPolarHBondContact O-CA 3.47Å; S117-G120 PolarHBondContact O-N 2.79Å; Q118-G120 VanDerWaalsContact C-N 3.34Å; G120-K123 PolarHBondContact O-N 2.72Å; G120-I124 WeakPolarHBondContact O-CD1 3.39Å; G120-I124 WeakPolarHBondContact O-CG1 3.43Å; G120-I124 PolarHBondContact O-N 2.8Å
121L98.7Very high98.5Very high0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-60.2-47-180-170.964.1000112.7S117 Q118 K123 I124 F125 Y195 I228S117-L121 PolarHBondContact O-N 3.31Å; Q118-L121 PolarHBondContact O-N 2.92Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.32Å; L121-I124 WeakPolarHBondContact O-CB 3.41Å; L121-I124 PolarHBondContact O-N 3.3Å; L121-F125 HydrophobicContact CD1-CE1 4.01Å; L121-F125 HydrophobicContact CD1-CE2 3.99Å; L121-F125 HydrophobicContact CD1-CZ 3.54Å; L121-F125 HydrophobicContact CD2-CE2 3.98Å; L121-F125 HydrophobicContact CD2-CZ 4.07Å; L121-F125 HydrophobicContact CG-CD2 4.3Å; L121-F125 HydrophobicContact CG-CE1 4.47Å; L121-F125 HydrophobicContact CG-CE2 3.55Å; L121-F125 HydrophobicContact CG-CZ 3.65Å; L121-F125 WeakPolarHBondContact O-CD2 3.44Å; L121-F125 WeakPolarHBondContact O-CG 3.43Å; L121-F125 PolarHBondContact O-N 2.96Å; L121-Y195 HydrophobicContact CD1-CD2 4.09Å; L121-Y195 HydrophobicContact CD1-CE2 3.84Å; L121-Y195 HydrophobicContact CD2-CE2 3.84Å; L121-Y195 HydrophobicContact CG-CE2 4.46Å; L121-I228 HydrophobicContact CD1-CG2 3.54Å
122C98.8Very high98.5Very high40 Ų4023.3 Ų23.327%0.2714%0.141SC..Hα-helixtrans-59-45.3175.8-69.40000111.6Q118 E119 I124 F125 E126Q118-C122 PolarHBondContact O-N 2.9Å; Q118-C122 PolarHBondContact O-SG 3.43Å; E119-C122 PolarHBondContact O-N 3.31Å; C122-I124 VanDerWaalsContact C-N 3.27Å; C122-I124 PolarHBondContact O-N 3.24Å; C122-F125 PolarHBondContact O-N 2.93Å; C122-F125 VanDerWaalsContact O-N 3.16Å; C122-E126 WeakPolarHBondContact O-CG 3.45Å; C122-E126 PolarHBondContact O-N 3.34Å
123K98.8Very high98.4Very high11 Ų1125 Ų255%0.04815%0.15CC..Hα-helixtrans-65.9-30.9178.9-69.9-180-179.5-58.90112.7E119 G120 L121 M127 I284 H287 I288 S291E119-K123 HydrophobicContact CG-CD 4.17Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.4Å; E119-K123 PolarHBondContact O-N 2.69Å; E119-K123 VanDerWaalsContact O-N 3.09Å; G120-K123 PolarHBondContact O-N 2.72Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.32Å; K123-M127 WeakPolarHBondContact O-CB 3.21Å; K123-M127 PolarHBondContact O-N 2.9Å; K123-I284 HydrophobicContact CB-CG2 4.18Å; K123-I284 HydrophobicContact CD-CG2 4.22Å; K123-H287 HydrophobicContact CD-CB 4.28Å; K123-H287 PolarHBondContact NZ-CD2 3.28Å; K123-I288 HydrophobicContact CD-CD1 4.36Å; K123-I288 HydrophobicContact CD-CG1 3.65Å; K123-S291 PolarHBondContact NZ-OG 3.24Å
124I98.9Very high98.4Very high0 Ų026 Ų260%016%0.156CC..Hα-helixtrans-65.4-46.9172.2-69.4159.4000109.9G120 L121 C122 M127 L128 I228 I256 T258 V274 I284G120-I124 WeakPolarHBondContact O-CD1 3.39Å; G120-I124 WeakPolarHBondContact O-CG1 3.43Å; G120-I124 PolarHBondContact O-N 2.8Å; L121-I124 WeakPolarHBondContact O-CB 3.41Å; L121-I124 PolarHBondContact O-N 3.3Å; C122-I124 VanDerWaalsContact C-N 3.27Å; C122-I124 PolarHBondContact O-N 3.24Å; I124-M127 HydrophobicContact CG1-CE 4.49Å; I124-M127 HydrophobicContact CG2-CE 4.3Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 3.46Å; I124-L128 HydrophobicContact CG2-CD1 3.6Å; I124-L128 HydrophobicContact CG2-CG 4.43Å; I124-L128 WeakPolarHBondContact O-CB 3.4Å; I124-L128 WeakPolarHBondContact O-CG 3.45Å; I124-L128 PolarHBondContact O-N 3.12Å; I124-L128 VanDerWaalsContact O-N 3.16Å; I124-I228 HydrophobicContact CG2-CD1 3.49Å; I124-I228 VanDerWaalsContact CG2-CD1 3.49Å; I124-I228 HydrophobicContact CG2-CG1 3.89Å; I124-I228 HydrophobicContact CG2-CG2 4.48Å; I124-I256 HydrophobicContact CD1-CB 4.46Å; I124-I256 HydrophobicContact CD1-CG2 3.43Å; I124-I256 VanDerWaalsContact CD1-CG2 3.43Å; I124-I256 HydrophobicContact CG1-CG2 3.96Å; I124-I256 HydrophobicContact CG2-CD1 3.99Å; I124-T258 HydrophobicContact CD1-CG2 3.67Å; I124-V274 HydrophobicContact CD1-CG1 4.11Å; I124-V274 HydrophobicContact CD1-CG2 4.26Å; I124-I284 HydrophobicContact CD1-CD1 4.27Å; I124-I284 HydrophobicContact CG1-CD1 3.58Å; I124-I284 HydrophobicContact CG1-CG1 4.35Å
125F98.8Very high98.4Very high1 Ų126 Ų260%0.00416%0.156CC..Hα-helixtrans-63.1-48.2178.1-60.1-38.2000112.3L121 C122 M127 L128 V129 T145 A148 L149 L152 Y195 I228L121-F125 HydrophobicContact CD1-CE1 4.01Å; L121-F125 HydrophobicContact CD1-CE2 3.99Å; L121-F125 HydrophobicContact CD1-CZ 3.54Å; L121-F125 HydrophobicContact CD2-CE2 3.98Å; L121-F125 HydrophobicContact CD2-CZ 4.07Å; L121-F125 HydrophobicContact CG-CD2 4.3Å; L121-F125 HydrophobicContact CG-CE1 4.47Å; L121-F125 HydrophobicContact CG-CE2 3.55Å; L121-F125 HydrophobicContact CG-CZ 3.65Å; L121-F125 WeakPolarHBondContact O-CD2 3.44Å; L121-F125 WeakPolarHBondContact O-CG 3.43Å; L121-F125 PolarHBondContact O-N 2.96Å; C122-F125 PolarHBondContact O-N 2.93Å; C122-F125 VanDerWaalsContact O-N 3.16Å; F125-M127 PolarHBondContact O-N 3.26Å; F125-L128 PolarHBondContact O-N 3.15Å; F125-V129 WeakPolarHBondContact O-CB 3.43Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 3.35Å; F125-T145 HydrophobicContact CE2-CG2 3.88Å; F125-T145 HydrophobicContact CZ-CG2 3.71Å; F125-A148 HydrophobicContact CD2-CB 4.05Å; F125-A148 HydrophobicContact CE2-CB 4.25Å; F125-L149 HydrophobicContact CB-CD2 4.13Å; F125-L149 HydrophobicContact CD1-CD2 3.71Å; F125-L149 HydrophobicContact CD2-CD2 3.94Å; F125-L149 HydrophobicContact CD2-CG 4.13Å; F125-L149 HydrophobicContact CE1-CD2 4.01Å; F125-L149 HydrophobicContact CE1-CG 4.46Å; F125-L149 HydrophobicContact CE2-CD2 4.22Å; F125-L149 HydrophobicContact CE2-CG 4.05Å; F125-L149 HydrophobicContact CG-CD2 3.68Å; F125-L149 HydrophobicContact CG-CG 4.37Å; F125-L149 HydrophobicContact CZ-CD1 4.33Å; F125-L149 HydrophobicContact CZ-CD2 4.26Å; F125-L149 HydrophobicContact CZ-CG 4.23Å; F125-L152 HydrophobicContact CB-CD1 3.58Å; F125-Y195 HydrophobicContact CE1-CD2 4.18Å; F125-Y195 AromaticContact CZ-CD2 3.85Å; F125-Y195 HydrophobicContact CZ-CD2 3.85Å; F125-Y195 HydrophobicContact CZ-CE2 4.19Å; F125-Y195 HydrophobicContact CZ-CG 4.41Å; F125-I228 HydrophobicContact CD1-CD1 3.83Å; F125-I228 HydrophobicContact CE1-CD1 3.59Å
126E98.8Very high98.4Very high86 Ų8624 Ų2440%0.40214%0.144SC..Hα-helixtrans-61.8-28.7177-65.1164.6150.900113T8 C122 L152 H287T8-E126 PolarHBondContact OG1-O 3.1Å; C122-E126 WeakPolarHBondContact O-CG 3.45Å; C122-E126 PolarHBondContact O-N 3.34Å; E126-L152 HydrophobicContact CG-CD2 4.34Å; E126-H287 IonicContact OE2-CE1 3.26Å; E126-H287 PolarHBondContact OE2-CE1 3.45Å; E126-H287 IonicContact OE2-ND1 2.79Å; E126-H287 PolarHBondContact OE2-ND1 2.98Å
127M98.7Very high98.4Very high6 Ų624 Ų243%0.0314%0.144CC..Hα-helixtrans-70.6-33.6175.1165.1-18075.300112.3L7 T8 K123 I124 F125 I256 L280 R283 I284L7-M127 HydrophobicContact CD2-CG 3.64Å; L7-M127 HydrophobicContact CD2-SD 4Å; T8-M127 WeakPolarHBondContact CG2-O 3.42Å; T8-M127 PolarHBondContact N-O 3.06Å; T8-M127 PolarHBondContact OG1-O 3.11Å; K123-M127 WeakPolarHBondContact O-CB 3.21Å; K123-M127 PolarHBondContact O-N 2.9Å; I124-M127 HydrophobicContact CG1-CE 4.49Å; I124-M127 HydrophobicContact CG2-CE 4.3Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 3.46Å; F125-M127 PolarHBondContact O-N 3.26Å; M127-I256 HydrophobicContact CE-CD1 3.84Å; M127-L280 HydrophobicContact CE-CB 4.07Å; M127-L280 HydrophobicContact CE-CD2 4.44Å; M127-L280 HydrophobicContact SD-CB 4.26Å; M127-L280 HydrophobicContact SD-CD2 4.39Å; M127-R283 HydrophobicContact CG-CB 4.25Å; M127-R283 HydrophobicContact SD-CB 3.59Å; M127-R283 VanDerWaalsContact SD-CB 3.59Å; M127-R283 HydrophobicContact SD-CG 4.18Å; M127-I284 HydrophobicContact SD-CG1 4.31Å
128L98.5Very high98.2Very high1 Ų124 Ų241%0.00514%0.142CC..Hα-helixtrans-112.5-24.2-163-62.6177.4000114.9F6 I124 F125 I193 L226 I228 I256F6-L128 HydrophobicContact CB-CD2 3.79Å; F6-L128 VanDerWaalsContact O-CA 3.32Å; F6-L128 WeakPolarHBondContact O-CA 3.43Å; F6-L128 WeakPolarHBondContact O-CD2 3.42Å; I124-L128 HydrophobicContact CG2-CD1 3.6Å; I124-L128 HydrophobicContact CG2-CG 4.43Å; I124-L128 WeakPolarHBondContact O-CB 3.4Å; I124-L128 WeakPolarHBondContact O-CG 3.45Å; I124-L128 PolarHBondContact O-N 3.12Å; I124-L128 VanDerWaalsContact O-N 3.16Å; F125-L128 PolarHBondContact O-N 3.15Å; L128-I193 HydrophobicContact CB-CD1 3.35Å; L128-I193 HydrophobicContact CB-CG1 4.28Å; L128-I193 HydrophobicContact CD1-CD1 4.01Å; L128-I193 HydrophobicContact CD1-CG1 4.32Å; L128-I193 HydrophobicContact CG-CD1 4.31Å; L128-L226 HydrophobicContact CD1-CD1 4.02Å; L128-L226 HydrophobicContact CD2-CD1 3.83Å; L128-I228 HydrophobicContact CD1-CD1 4.24Å; L128-I256 HydrophobicContact CD1-CD1 4.03Å
129V98.4Very high97.8Very high9 Ų922.2 Ų22.26%0.05514%0.136CC..  trans-106122.9-168.91800000110.8T8 F125 D133 V135 L149 L152 C154 I193T8-V129 VanDerWaalsContact CG2-O 3.29Å; T8-V129 WeakPolarHBondContact CG2-O 3.39Å; F125-V129 WeakPolarHBondContact O-CB 3.43Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 3.35Å; V129-D133 HydrophobicContact CG1-CB 4.5Å; V129-V135 HydrophobicContact CG1-CG2 4.5Å; V129-V135 HydrophobicContact CG2-CG2 3.99Å; V129-L149 HydrophobicContact CG2-CD2 4.45Å; V129-L152 HydrophobicContact CB-CD1 4.09Å; V129-L152 HydrophobicContact CG1-CB 3.95Å; V129-L152 HydrophobicContact CG1-CD1 4.32Å; V129-C154 HydrophobicContact CG1-CB 3.55Å; V129-I193 HydrophobicContact CG2-CD1 3.65Å
130N97.3Very high97.6Very high50 Ų5021.9 Ų21.927%0.26714%0.136SC..  trans-99.5156.5164-56.2-82000110T8 G132 D133 R192T8-N130 WeakPolarHBondContact CG2-OD1 3.38Å; N130-G132 PolarHBondContact O-N 3.4Å; N130-D133 PolarHBondContact N-OD2 3.16Å; N130-D133 PolarHBondContact ND2-OD2 3.22Å; N130-D133 VanDerWaalsContact O-CB 3.28Å; N130-D133 WeakPolarHBondContact O-CB 3.36Å; N130-D133 PolarHBondContact O-N 3.03Å; N130-D133 VanDerWaalsContact O-N 3.08Å; N130-R192 PolarHBondContact ND2-NH2 3.15Å
131P97.6Very high97.6Very high108 Ų10822 Ų2270%0.70114%0.137SC*.THydrogen-bonded Turntrans-53.7133.2169.7-25.634.9000111.7D133 L152P131-D133 VanDerWaalsContact C-N 3.34Å; P131-L152 WeakPolarHBondContact CA-O 3.33Å
132G96.9Very high97.6Very high47 Ų4725.7 Ų25.749%0.48515%0.151SC..THydrogen-bonded Turntrans86.1-8.4-17700000115.5N130 G153 N155N130-G132 PolarHBondContact O-N 3.4Å; G132-G153 PolarHBondContact N-O 2.87Å; G132-N155 PolarHBondContact O-ND2 2.77Å
133D97.4Very high97.5Very high36 Ų3626 Ų2619%0.19315%0.154CC..  trans-64.6147.6175.1-76-17.8000111.4V129 N130 P131 C154 N155 R192V129-D133 HydrophobicContact CG1-CB 4.5Å; N130-D133 PolarHBondContact N-OD2 3.16Å; N130-D133 PolarHBondContact ND2-OD2 3.22Å; N130-D133 VanDerWaalsContact O-CB 3.28Å; N130-D133 WeakPolarHBondContact O-CB 3.36Å; N130-D133 PolarHBondContact O-N 3.03Å; N130-D133 VanDerWaalsContact O-N 3.08Å; P131-D133 VanDerWaalsContact C-N 3.34Å; D133-C154 CarbonylContact O-C 3.58Å; D133-C154 VanDerWaalsContact O-CA 3.27Å; D133-C154 WeakPolarHBondContact O-CA 3.48Å; D133-C154 WeakPolarHBondContact O-CB 3.45Å; D133-N155 PolarHBondContact O-N 2.88Å; D133-R192 IonicContact OD1-NH2 3.8Å; D133-R192 PolarHBondContact OD1-NH2 3.3Å; D133-R192 VanDerWaalsContact OD1-NH2 3.07Å; D133-R192 IonicContact OD2-CZ 2.82Å; D133-R192 IonicContact OD2-NH2 3.3Å; D133-R192 PolarHBondContact OD2-NH2 3.21Å
134N98Very high97.5Very high22 Ų2226.2 Ų26.212%0.11816%0.16CC..EExtended strand (participates in β ladder)trans-89.8126.2172.6-68.6-35.6000110.5N155 I157 T189 P191N134-N155 VanDerWaalsContact OD1-CB 3.28Å; N134-N155 WeakPolarHBondContact OD1-CB 3.41Å; N134-N155 PolarHBondContact OD1-ND2 3.39Å; N134-I157 HydrophobicContact CB-CD1 3.83Å; N134-T189 PolarHBondContact ND2-O 3.04Å; N134-P191 HydrophobicContact CB-CB 4.12Å; N134-P191 WeakPolarHBondContact O-CA 3.45Å
135V98.5Very high97.5Very high0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-120.4127.2176.9177.60000108.9V129 L149 C154 N155 I157V129-V135 HydrophobicContact CG1-CG2 4.5Å; V129-V135 HydrophobicContact CG2-CG2 3.99Å; V135-L149 HydrophobicContact CG1-CD1 4.36Å; V135-C154 HydrophobicContact CG2-CB 3.94Å; V135-N155 PolarHBondContact N-O 3.28Å; V135-I157 PolarHBondContact O-N 3.3Å
136L98.8Very high97.4Very high0 Ų026.4 Ų26.40%016%0.161CC..EExtended strand (participates in β ladder)trans-92.9138.7177.8-64.4168.4000110.4I157 V159 L171 V174 L175 P191 I193 L194 Y195 M225L136-I157 HydrophobicContact CD2-CB 3.83Å; L136-I157 HydrophobicContact CD2-CG2 3.76Å; L136-V159 HydrophobicContact CB-CG2 4.19Å; L136-V159 HydrophobicContact CD2-CG2 3.94Å; L136-L171 HydrophobicContact CD1-CD1 3.82Å; L136-V174 HydrophobicContact CD2-CG1 3.6Å; L136-L175 HydrophobicContact CD1-CD2 3.85Å; L136-L175 HydrophobicContact CD1-CG 4.45Å; L136-P191 HydrophobicContact CD1-CB 3.78Å; L136-P191 HydrophobicContact CD1-CG 3.56Å; L136-P191 HydrophobicContact CD2-CG 4.4Å; L136-P191 HydrophobicContact CG-CB 3.73Å; L136-P191 HydrophobicContact CG-CG 3.92Å; L136-I193 PolarHBondContact N-O 3.02Å; L136-L194 HydrophobicContact CB-CD1 3.37Å; L136-L194 HydrophobicContact CD1-CD1 4.23Å; L136-L194 HydrophobicContact CG-CD1 4.46Å; L136-L194 CarbonylContact O-C 3.36Å; L136-L194 WeakPolarHBondContact O-CA 3.19Å; L136-Y195 PolarHBondContact O-N 3.09Å; L136-M225 HydrophobicContact CD1-CE 4.2Å; L136-M225 HydrophobicContact CD1-SD 3.66Å
137L98.6Very high97.4Very high0 Ų025.1 Ų25.10%017%0.165CC..EExtended strand (participates in β ladder)trans-154.4161.5168.158.478.6000110.8A139 T141 L146 L149 I156 I157 N158 V159 Y195 I390L137-A139 HydrophobicContact CD1-CB 4.08Å; L137-T141 HydrophobicContact CD1-CG2 4.11Å; L137-T141 HydrophobicContact CD2-CG2 4.34Å; L137-L146 HydrophobicContact CD2-CD2 4.32Å; L137-L149 HydrophobicContact CD2-CD1 3.94Å; L137-I156 HydrophobicContact CD1-CG2 3.95Å; L137-I156 HydrophobicContact CD2-CG2 3.5Å; L137-I156 HydrophobicContact CG-CG2 3.6Å; L137-I157 PolarHBondContact N-O 3.11Å; L137-N158 CarbonylContact O-C 3.57Å; L137-N158 WeakPolarHBondContact O-CA 3.37Å; L137-V159 PolarHBondContact O-N 2.98Å; L137-Y195 WeakPolarHBondContact CA-O 3.42Å; L137-Y195 HydrophobicContact CB-CD1 4.01Å; L137-Y195 HydrophobicContact CD2-CD1 4.41Å; L137-I390 HydrophobicContact CD1-CD1 4.35Å; L137-I390 HydrophobicContact CD1-CG1 4.47Å
138D94.4Very high97.4Very high11 Ų1125.8 Ų25.86%0.05917%0.171CC..  trans-88.1125.8167.457.5-55.2000111.7T141 V159 M166 T196D138-T141 VanDerWaalsContact O-CB 3.29Å; D138-T141 WeakPolarHBondContact O-CB 3.34Å; D138-V159 VanDerWaalsContact CA-O 3.28Å; D138-V159 WeakPolarHBondContact CA-O 3.35Å; D138-V159 WeakPolarHBondContact CB-O 3.37Å; D138-M166 HydrophobicContact CB-CB 4.29Å; D138-M166 HydrophobicContact CB-CE 3.85Å; D138-M166 HydrophobicContact CB-CG 4.46Å; D138-T196 PolarHBondContact OD1-OG1 2.83Å
139A89.6Confident97.4Very high9 Ų925.8 Ų25.87%0.07417%0.171CC..SBendtrans-110.8141.7174.400000110.9L137 N158 I390L137-A139 HydrophobicContact CD1-CB 4.08Å; A139-N158 VanDerWaalsContact CB-OD1 3.31Å; A139-N158 WeakPolarHBondContact CB-OD1 3.38Å; A139-N158 PolarHBondContact N-OD1 3.48Å; A139-I390 HydrophobicContact CB-CD1 4.26Å; A139-I390 HydrophobicContact CB-CG1 4.13Å
140P96.4Very high97.3Very high23 Ų2330.5 Ų30.515%0.14919%0.193CC..SBendcis-69.4147.47.429.7-36.4000113.3P203 T204 W358 F388 M389P140-P203 HydrophobicContact CB-CG 3.79Å; P140-P203 HydrophobicContact CG-CG 4.01Å; P140-T204 HydrophobicContact CG-CG2 3.63Å; P140-W358 HydrophobicContact CB-CZ2 4.19Å; P140-W358 HydrophobicContact CG-CZ2 3.92Å; P140-F388 CarbonylContact C-O 3.55Å; P140-F388 VanDerWaalsContact CA-O 3.28Å; P140-F388 WeakPolarHBondContact CA-O 3.43Å; P140-F388 HydrophobicContact CB-CB 3.78Å; P140-M389 HydrophobicContact CB-SD 3.84Å
141T97.8Very high97.3Very high3 Ų333 Ų332%0.01821%0.211CC..  trans-138.5177.5-176.1-155.60000112.1L137 D138 S143 L146 N202 F388L137-T141 HydrophobicContact CD1-CG2 4.11Å; L137-T141 HydrophobicContact CD2-CG2 4.34Å; D138-T141 VanDerWaalsContact O-CB 3.29Å; D138-T141 WeakPolarHBondContact O-CB 3.34Å; T141-S143 PolarHBondContact O-N 2.95Å; T141-L146 HydrophobicContact CG2-CD1 4.08Å; T141-L146 HydrophobicContact CG2-CD2 3.62Å; T141-L146 HydrophobicContact CG2-CG 3.65Å; T141-N202 CarbonylContact C-O 3.48Å; T141-N202 WeakPolarHBondContact CA-O 3.36Å; T141-F388 PolarHBondContact N-O 2.84Å; T141-F388 WeakPolarHBondContact O-CB 3.44Å; T141-F388 WeakPolarHBondContact O-CD1 3.47Å
142Y98.3Very high97.4Very high76 Ų7629.7 Ų29.730%0.29819%0.187SC..  trans-63.8122.4-179.2174.5-134.3000111.1G144 T145 L146 N202Y142-G144 VanDerWaalsContact CE1-CA 3.48Å; Y142-G144 PolarHBondContact O-N 2.97Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; Y142-T145 WeakPolarHBondContact O-CA 3.44Å; Y142-T145 WeakPolarHBondContact O-CB 3.48Å; Y142-T145 PolarHBondContact O-N 3.37Å; Y142-L146 PolarHBondContact O-N 3.03Å; Y142-N202 WeakPolarHBondContact CD2-ND2 3.28Å; Y142-N202 PolarHBondContact N-O 2.99Å
143S97.7Very high97.4Very high47 Ų4729.3 Ų29.333%0.32918%0.184SC..Hα-helixtrans-57-31.2-179.861.30000113.8T141 T145 L146 A147 V387T141-S143 PolarHBondContact O-N 2.95Å; S143-T145 VanDerWaalsContact C-N 3.31Å; S143-T145 PolarHBondContact O-N 2.99Å; S143-L146 PolarHBondContact O-N 2.87Å; S143-A147 WeakPolarHBondContact O-CB 3.33Å; S143-A147 PolarHBondContact O-N 2.94Å; S143-V387 VanDerWaalsContact CB-O 3.24Å; S143-V387 WeakPolarHBondContact CB-O 3.37Å
144G98.1Very high97.4Very high16 Ų1628.3 Ų28.317%0.16518%0.179CC..Hα-helixtrans-67.4-30.3174.800000113.3Y142 A148Y142-G144 VanDerWaalsContact CE1-CA 3.48Å; Y142-G144 PolarHBondContact O-N 2.97Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; G144-A148 WeakPolarHBondContact O-CB 3.33Å; G144-A148 PolarHBondContact O-N 3.43Å; G144-A148 VanDerWaalsContact O-N 3.1Å
145T98.6Very high97.4Very high0 Ų031.2 Ų31.20%020%0.195CC..Hα-helixtrans-70.2-44172.4-63.60000111.1F125 Y142 S143 A147 A148 L149 Y195F125-T145 HydrophobicContact CE2-CG2 3.88Å; F125-T145 HydrophobicContact CZ-CG2 3.71Å; Y142-T145 WeakPolarHBondContact O-CA 3.44Å; Y142-T145 WeakPolarHBondContact O-CB 3.48Å; Y142-T145 PolarHBondContact O-N 3.37Å; S143-T145 VanDerWaalsContact C-N 3.31Å; S143-T145 PolarHBondContact O-N 2.99Å; T145-A147 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 3.12Å; T145-A148 PolarHBondContact O-N 2.93Å; T145-A148 VanDerWaalsContact O-N 3.14Å; T145-L149 HydrophobicContact CG2-CD1 3.84Å; T145-L149 HydrophobicContact CG2-CG 4.41Å; T145-L149 PolarHBondContact O-N 2.9Å; T145-Y195 HydrophobicContact CG2-CD1 3.93Å; T145-Y195 HydrophobicContact CG2-CD2 4.35Å; T145-Y195 HydrophobicContact CG2-CE1 3.63Å; T145-Y195 HydrophobicContact CG2-CE2 4.07Å; T145-Y195 HydrophobicContact CG2-CG 4.28Å; T145-Y195 PolarHBondContact OG1-OH 3.16Å
146L98.1Very high97.4Very high5 Ų532.6 Ų32.63%0.02620%0.202CC..Hα-helixtrans-59.8-46.6175.2-62.7177.3000111.2L137 T141 Y142 S143 A148 L149 Q150 I156 M389 I390L137-L146 HydrophobicContact CD2-CD2 4.32Å; T141-L146 HydrophobicContact CG2-CD1 4.08Å; T141-L146 HydrophobicContact CG2-CD2 3.62Å; T141-L146 HydrophobicContact CG2-CG 3.65Å; Y142-L146 PolarHBondContact O-N 3.03Å; S143-L146 PolarHBondContact O-N 2.87Å; L146-A148 PolarHBondContact O-N 3.29Å; L146-L149 PolarHBondContact O-N 3.14Å; L146-Q150 WeakPolarHBondContact O-CB 3.29Å; L146-Q150 VanDerWaalsContact O-CG 3.23Å; L146-Q150 WeakPolarHBondContact O-CG 3.48Å; L146-Q150 PolarHBondContact O-N 3.21Å; L146-I156 HydrophobicContact CD2-CD1 4.12Å; L146-M389 WeakPolarHBondContact CD1-O 3.48Å; L146-I390 HydrophobicContact CD2-CG1 4.3Å
147A98Very high97.4Very high59 Ų5933.8 Ų33.849%0.48821%0.208SC..Hα-helixtrans-62.1-27.8176.700000113.3S143 T145 P151S143-A147 WeakPolarHBondContact O-CB 3.33Å; S143-A147 PolarHBondContact O-N 2.94Å; T145-A147 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 3.12Å; A147-P151 WeakPolarHBondContact O-CD 3.33Å
148A98.3Very high97.4Very high20 Ų2036.9 Ų36.917%0.16523%0.225CC..Hα-helixtrans-80-35.5175.500000112.9F125 G144 T145 L146F125-A148 HydrophobicContact CD2-CB 4.05Å; F125-A148 HydrophobicContact CE2-CB 4.25Å; G144-A148 WeakPolarHBondContact O-CB 3.33Å; G144-A148 PolarHBondContact O-N 3.43Å; G144-A148 VanDerWaalsContact O-N 3.1Å; T145-A148 PolarHBondContact O-N 2.93Å; T145-A148 VanDerWaalsContact O-N 3.14Å; L146-A148 PolarHBondContact O-N 3.29Å
149L98.3Very high97.6Very high0 Ų036.4 Ų36.40%022%0.222CC..Hα-helixtrans-82.1-41.3-177.8-75.3171.8000113.3F125 V129 V135 L137 T145 L146 L152 I156F125-L149 HydrophobicContact CB-CD2 4.13Å; F125-L149 HydrophobicContact CD1-CD2 3.71Å; F125-L149 HydrophobicContact CD2-CD2 3.94Å; F125-L149 HydrophobicContact CD2-CG 4.13Å; F125-L149 HydrophobicContact CE1-CD2 4.01Å; F125-L149 HydrophobicContact CE1-CG 4.46Å; F125-L149 HydrophobicContact CE2-CD2 4.22Å; F125-L149 HydrophobicContact CE2-CG 4.05Å; F125-L149 HydrophobicContact CG-CD2 3.68Å; F125-L149 HydrophobicContact CG-CG 4.37Å; F125-L149 HydrophobicContact CZ-CD1 4.33Å; F125-L149 HydrophobicContact CZ-CD2 4.26Å; F125-L149 HydrophobicContact CZ-CG 4.23Å; V129-L149 HydrophobicContact CG2-CD2 4.45Å; V135-L149 HydrophobicContact CG1-CD1 4.36Å; L137-L149 HydrophobicContact CD2-CD1 3.94Å; T145-L149 HydrophobicContact CG2-CD1 3.84Å; T145-L149 HydrophobicContact CG2-CG 4.41Å; T145-L149 PolarHBondContact O-N 2.9Å; L146-L149 PolarHBondContact O-N 3.14Å; L149-L152 HydrophobicContact CD2-CD1 4.46Å; L149-L152 WeakPolarHBondContact O-CB 3.42Å; L149-L152 PolarHBondContact O-N 2.77Å; L149-I156 HydrophobicContact CB-CD1 3.89Å; L149-I156 HydrophobicContact CB-CG1 4.48Å; L149-I156 HydrophobicContact CD1-CD1 4.34Å
150Q96.3Very high98Very high109 Ų10938.7 Ų38.751%0.50924%0.236SC..G310 helixtrans-48.5-50.4-178.5-78.6171.8-9.700114L146 L152 G153L146-Q150 WeakPolarHBondContact O-CB 3.29Å; L146-Q150 VanDerWaalsContact O-CG 3.23Å; L146-Q150 WeakPolarHBondContact O-CG 3.48Å; L146-Q150 PolarHBondContact O-N 3.21Å; Q150-L152 PolarHBondContact O-N 2.97Å; Q150-G153 PolarHBondContact O-N 2.83Å; Q150-G153 VanDerWaalsContact O-N 3.15Å
151P98.3Very high98Very high102 Ų10239.1 Ų39.166%0.66224%0.24SC*.G310 helixtrans-70.7-12.4-179.428.7-36.4000114.2A147 G153A147-P151 WeakPolarHBondContact O-CD 3.33Å; P151-G153 PolarHBondContact O-N 3.29Å
152L98.4Very high97.9Very high38 Ų3841.4 Ų41.420%0.19925%0.252CS..G310 helixtrans-78.2-9.9174.3-56.8179.1000112.4F125 E126 V129 P131 L149 Q150 C154F125-L152 HydrophobicContact CB-CD1 3.58Å; E126-L152 HydrophobicContact CG-CD2 4.34Å; V129-L152 HydrophobicContact CB-CD1 4.09Å; V129-L152 HydrophobicContact CG1-CB 3.95Å; V129-L152 HydrophobicContact CG1-CD1 4.32Å; P131-L152 WeakPolarHBondContact CA-O 3.33Å; L149-L152 HydrophobicContact CD2-CD1 4.46Å; L149-L152 WeakPolarHBondContact O-CB 3.42Å; L149-L152 PolarHBondContact O-N 2.77Å; Q150-L152 PolarHBondContact O-N 2.97Å; L152-C154 VanDerWaalsContact C-N 3.32Å; L152-C154 PolarHBondContact O-N 3Å
153G97.8Very high97.8Very high39 Ų3941.5 Ų41.540%0.40226%0.255SS..THydrogen-bonded Turntrans70.723.9174.800000114.2G132 Q150 P151G132-G153 PolarHBondContact N-O 2.87Å; Q150-G153 PolarHBondContact O-N 2.83Å; Q150-G153 VanDerWaalsContact O-N 3.15Å; P151-G153 PolarHBondContact O-N 3.29Å
154C98.1Very high97.7Very high15 Ų1543 Ų4310%0.10126%0.257CS..  trans-80.1155.8172.359.30000112.1V129 D133 V135 L152 I156V129-C154 HydrophobicContact CG1-CB 3.55Å; D133-C154 CarbonylContact O-C 3.58Å; D133-C154 VanDerWaalsContact O-CA 3.27Å; D133-C154 WeakPolarHBondContact O-CA 3.48Å; D133-C154 WeakPolarHBondContact O-CB 3.45Å; V135-C154 HydrophobicContact CG2-CB 3.94Å; L152-C154 VanDerWaalsContact C-N 3.32Å; L152-C154 PolarHBondContact O-N 3Å; C154-I156 PolarHBondContact O-N 3.15Å
155N98Very high97.7Very high84 Ų8442.6 Ų42.645%0.44925%0.252SS..EExtended strand (participates in β ladder)trans-84.1110.7167.5-48.9-54.4000108.6G132 D133 N134 V135 I157G132-N155 PolarHBondContact O-ND2 2.77Å; D133-N155 PolarHBondContact O-N 2.88Å; N134-N155 VanDerWaalsContact OD1-CB 3.28Å; N134-N155 WeakPolarHBondContact OD1-CB 3.41Å; N134-N155 PolarHBondContact OD1-ND2 3.39Å; V135-N155 PolarHBondContact N-O 3.28Å; N155-I157 PolarHBondContact O-N 3.5Å
156I98.4Very high97.7Very high28 Ų2842.6 Ų42.614%0.14425%0.252CS..EExtended strand (participates in β ladder)trans-80.6115.7174.6-54.6178000108L137 L146 L149 C154 I390L137-I156 HydrophobicContact CD1-CG2 3.95Å; L137-I156 HydrophobicContact CD2-CG2 3.5Å; L137-I156 HydrophobicContact CG-CG2 3.6Å; L146-I156 HydrophobicContact CD2-CD1 4.12Å; L149-I156 HydrophobicContact CB-CD1 3.89Å; L149-I156 HydrophobicContact CB-CG1 4.48Å; L149-I156 HydrophobicContact CD1-CD1 4.34Å; C154-I156 PolarHBondContact O-N 3.15Å; I156-I390 HydrophobicContact CB-CD1 4.32Å; I156-I390 HydrophobicContact CB-CG2 4.19Å; I156-I390 HydrophobicContact CG2-CD1 3.65Å; I156-I390 HydrophobicContact CG2-CG1 3.95Å; I156-I390 HydrophobicContact CG2-CG2 4.42Å
157I98.4Very high97.7Very high26 Ų2644.2 Ų44.213%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-105.1114.3-179.9-59178.6000108.4N134 V135 L136 L137 N155 V174 W178N134-I157 HydrophobicContact CB-CD1 3.83Å; V135-I157 PolarHBondContact O-N 3.3Å; L136-I157 HydrophobicContact CD2-CB 3.83Å; L136-I157 HydrophobicContact CD2-CG2 3.76Å; L137-I157 PolarHBondContact N-O 3.11Å; N155-I157 PolarHBondContact O-N 3.5Å; I157-V174 HydrophobicContact CG2-CG1 3.67Å; I157-W178 HydrophobicContact CD1-CH2 3.89Å
158N98Very high97.7Very high65 Ų6541.7 Ų41.735%0.34824%0.239SC..EExtended strand (participates in β ladder)trans-66.6135.2176.5-173.829000111.4L137 A139 I390L137-N158 CarbonylContact O-C 3.57Å; L137-N158 WeakPolarHBondContact O-CA 3.37Å; A139-N158 VanDerWaalsContact CB-OD1 3.31Å; A139-N158 WeakPolarHBondContact CB-OD1 3.38Å; A139-N158 PolarHBondContact N-OD1 3.48Å; N158-I390 HydrophobicContact CB-CD1 3.81Å
159V98.4Very high97.7Very high0 Ų046.8 Ų46.80%026%0.26CS..  trans-110.7117.9165.8-176.30000107.8L136 L137 D138 S161 M166 L171L136-V159 HydrophobicContact CB-CG2 4.19Å; L136-V159 HydrophobicContact CD2-CG2 3.94Å; L137-V159 PolarHBondContact O-N 2.98Å; D138-V159 VanDerWaalsContact CA-O 3.28Å; D138-V159 WeakPolarHBondContact CA-O 3.35Å; D138-V159 WeakPolarHBondContact CB-O 3.37Å; V159-S161 PolarHBondContact O-N 3.44Å; V159-M166 HydrophobicContact CB-CE 4.16Å; V159-M166 HydrophobicContact CB-CG 4.11Å; V159-M166 HydrophobicContact CB-SD 4.24Å; V159-M166 HydrophobicContact CG1-CE 4.44Å; V159-M166 HydrophobicContact CG1-CG 3.46Å; V159-M166 VanDerWaalsContact CG1-CG 3.46Å; V159-M166 HydrophobicContact CG1-SD 3.89Å; V159-L171 HydrophobicContact CG1-CB 3.8Å; V159-L171 HydrophobicContact CG1-CD1 4.32Å; V159-L171 HydrophobicContact CG2-CD1 3.91Å
160P97.6Very high97.7Very high58 Ų5847.4 Ų47.438%0.37726%0.264SS..  trans-50.4140.2178.7-29.934.7000113.9I167 A170P160-I167 HydrophobicContact CB-CD1 4.3Å; P160-I167 PolarHBondContact O-N 2.99Å; P160-A170 HydrophobicContact CB-CB 3.92Å; P160-A170 HydrophobicContact CG-CB 3.86Å
161S96.8Very high97.9Very high32 Ų3242.2 Ų42.222%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-130160.9175.557.30000111.5V159 G165V159-S161 PolarHBondContact O-N 3.44Å; S161-G165 VanDerWaalsContact CA-O 3.28Å; S161-G165 WeakPolarHBondContact CA-O 3.39Å; S161-G165 VanDerWaalsContact CB-C 3.5Å; S161-G165 WeakPolarHBondContact CB-O 3.4Å
162D96.4Very high97.9Very high50 Ų5043.7 Ų43.727%0.26724%0.236SC..EExtended strand (participates in β ladder)trans-134.9-162.8173.865.920000110.7H164 G165 I167 R212D162-H164 PolarHBondContact O-N 3.41Å; D162-H164 WeakPolarHBondContact OD1-CA 3.01Å; D162-H164 WeakPolarHBondContact OD1-CB 3.38Å; D162-H164 PolarHBondContact OD1-N 2.98Å; D162-G165 PolarHBondContact N-O 3.44Å; D162-G165 PolarHBondContact O-N 2.76Å; D162-I167 HydrophobicContact CB-CD1 4.26Å; D162-R212 IonicContact OD1-CZ 3.23Å; D162-R212 IonicContact OD1-NH1 3.77Å; D162-R212 PolarHBondContact OD1-NH1 3.15Å; D162-R212 IonicContact OD1-NH2 3.71Å; D162-R212 PolarHBondContact OD1-NH2 3.05Å; D162-R212 IonicContact OD2-CZ 2.87Å; D162-R212 IonicContact OD2-NH1 2.62Å; D162-R212 PolarHBondContact OD2-NH1 2.84Å; D162-R212 IonicContact OD2-NH2 3.21Å; D162-R212 PolarHBondContact OD2-NH2 3.24Å
163Q95.4Very high97.9Very high79 Ų7948.7 Ų48.737%0.36926%0.258SS..THydrogen-bonded Turntrans-60-13.3179.173.5-78.9-0.500114.6H349Q163-H349 HydrophobicContact CB-CB 3.98Å
164H96.9Very high97.9Very high79 Ų7947.3 Ų47.337%0.36624%0.242SC..THydrogen-bonded Turntrans-108.324.4176.2-57.1-59000112.2D162 S207 M208 T209 R212D162-H164 PolarHBondContact O-N 3.41Å; D162-H164 WeakPolarHBondContact OD1-CA 3.01Å; D162-H164 WeakPolarHBondContact OD1-CB 3.38Å; D162-H164 PolarHBondContact OD1-N 2.98Å; H164-S207 CarbonylContact C-O 3.1Å; H164-S207 WeakPolarHBondContact CA-O 3.3Å; H164-M208 WeakPolarHBondContact O-CA 3.22Å; H164-T209 HydrophobicContact CB-CG2 4.12Å; H164-R212 WeakPolarHBondContact O-CD 3.38Å; H164-R212 PolarHBondContact O-NH1 2.94Å
165G97.1Very high97.9Very high6 Ų646.6 Ų46.66%0.06224%0.237CC..EExtended strand (participates in β ladder)trans75.8-158.5179.200000113S161 D162 R212S161-G165 VanDerWaalsContact CA-O 3.28Å; S161-G165 WeakPolarHBondContact CA-O 3.39Å; S161-G165 VanDerWaalsContact CB-C 3.5Å; S161-G165 WeakPolarHBondContact CB-O 3.4Å; D162-G165 PolarHBondContact N-O 3.44Å; D162-G165 PolarHBondContact O-N 2.76Å; G165-R212 PolarHBondContact O-NH1 3.41Å
166M98.1Very high97.8Very high0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-50.5137178.2-169.5179.1-7300112.8D138 V159 P168 L171 L194 M208 R212 V216D138-M166 HydrophobicContact CB-CB 4.29Å; D138-M166 HydrophobicContact CB-CE 3.85Å; D138-M166 HydrophobicContact CB-CG 4.46Å; V159-M166 HydrophobicContact CB-CE 4.16Å; V159-M166 HydrophobicContact CB-CG 4.11Å; V159-M166 HydrophobicContact CB-SD 4.24Å; V159-M166 HydrophobicContact CG1-CE 4.44Å; V159-M166 HydrophobicContact CG1-CG 3.46Å; V159-M166 VanDerWaalsContact CG1-CG 3.46Å; V159-M166 HydrophobicContact CG1-SD 3.89Å; M166-P168 WeakPolarHBondContact O-CD 3.3Å; M166-L171 HydrophobicContact SD-CD2 4.16Å; M166-L194 HydrophobicContact CE-CD1 3.61Å; M166-L194 HydrophobicContact CE-CD2 4.4Å; M166-L194 HydrophobicContact CE-CG 4.19Å; M166-L194 HydrophobicContact SD-CD1 3.89Å; M166-L194 HydrophobicContact SD-CD2 4.08Å; M166-L194 HydrophobicContact SD-CG 4.44Å; M166-M208 HydrophobicContact CB-CE 3.58Å; M166-R212 WeakPolarHBondContact O-CD 3.32Å; M166-R212 PolarHBondContact O-NH1 2.87Å; M166-V216 HydrophobicContact SD-CG2 4.34Å
167I98.6Very high97.7Very high40 Ų4053.3 Ų53.321%0.20527%0.267CS..  trans-90.9114.8179.4-60.2166.1000109.1P160 D162 E169 A170 L171P160-I167 HydrophobicContact CB-CD1 4.3Å; P160-I167 PolarHBondContact O-N 2.99Å; D162-I167 HydrophobicContact CB-CD1 4.26Å; I167-E169 VanDerWaalsContact C-N 3.31Å; I167-E169 HydrophobicContact CG2-CB 4.25Å; I167-E169 PolarHBondContact O-N 3.3Å; I167-A170 HydrophobicContact CB-CB 4.01Å; I167-A170 HydrophobicContact CG2-CB 4.14Å; I167-A170 PolarHBondContact O-N 2.79Å; I167-A170 VanDerWaalsContact O-N 3.14Å; I167-L171 PolarHBondContact O-N 2.69Å
168P98.6Very high97.6Very high6 Ų653.8 Ų53.84%0.03927%0.267CS..Hα-helixtrans-60.2-35.8-177.3-2433.8000114.1M166 A170 L171 K172 R212 D215 V216 L219M166-P168 WeakPolarHBondContact O-CD 3.3Å; P168-A170 VanDerWaalsContact C-N 3.32Å; P168-A170 PolarHBondContact O-N 2.72Å; P168-L171 WeakPolarHBondContact O-CB 3.45Å; P168-L171 PolarHBondContact O-N 3.36Å; P168-K172 WeakPolarHBondContact O-CB 3.22Å; P168-K172 PolarHBondContact O-N 2.79Å; P168-R212 HydrophobicContact CG-CB 3.88Å; P168-R212 HydrophobicContact CG-CG 3.73Å; P168-D215 HydrophobicContact CB-CB 3.87Å; P168-D215 HydrophobicContact CG-CB 4.07Å; P168-V216 HydrophobicContact CB-CG2 4.5Å; P168-V216 HydrophobicContact CG-CG2 4.26Å; P168-L219 WeakPolarHBondContact O-CD1 3.48Å
169E98.6Very high97.3Very high127 Ų12755.1 Ų55.159%0.59327%0.274SS*.Hα-helixtrans-63.1-40.7177-70.266.4-149.100111.2I167 K172 E173I167-E169 VanDerWaalsContact C-N 3.31Å; I167-E169 HydrophobicContact CG2-CB 4.25Å; I167-E169 PolarHBondContact O-N 3.3Å; E169-K172 WeakPolarHBondContact O-CB 3.42Å; E169-K172 PolarHBondContact O-N 2.93Å; E169-E173 PolarHBondContact O-N 3.01Å
170A98.6Very high96.8Very high12 Ų1259.2 Ų59.210%0.09929%0.294CS..Hα-helixtrans-70-37.9176.700000111.3P160 I167 P168 K172 E173 V174P160-A170 HydrophobicContact CB-CB 3.92Å; P160-A170 HydrophobicContact CG-CB 3.86Å; I167-A170 HydrophobicContact CB-CB 4.01Å; I167-A170 HydrophobicContact CG2-CB 4.14Å; I167-A170 PolarHBondContact O-N 2.79Å; I167-A170 VanDerWaalsContact O-N 3.14Å; P168-A170 VanDerWaalsContact C-N 3.32Å; P168-A170 PolarHBondContact O-N 2.72Å; A170-K172 VanDerWaalsContact C-N 3.33Å; A170-K172 PolarHBondContact O-N 2.88Å; A170-E173 PolarHBondContact O-N 2.86Å; A170-V174 WeakPolarHBondContact O-CG2 3.29Å; A170-V174 PolarHBondContact O-N 3.05Å
171L98.7Very high96.3Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-58.9-45.9170.7178.359.4000111.1L136 V159 M166 I167 P168 E173 V174 L175 L194 V216 L219L136-L171 HydrophobicContact CD1-CD1 3.82Å; V159-L171 HydrophobicContact CG1-CB 3.8Å; V159-L171 HydrophobicContact CG1-CD1 4.32Å; V159-L171 HydrophobicContact CG2-CD1 3.91Å; M166-L171 HydrophobicContact SD-CD2 4.16Å; I167-L171 PolarHBondContact O-N 2.69Å; P168-L171 WeakPolarHBondContact O-CB 3.45Å; P168-L171 PolarHBondContact O-N 3.36Å; L171-E173 VanDerWaalsContact C-N 3.35Å; L171-E173 PolarHBondContact O-N 3.3Å; L171-V174 PolarHBondContact O-N 3.49Å; L171-L175 HydrophobicContact CD1-CD1 3.83Å; L171-L175 HydrophobicContact CD1-CG 4.11Å; L171-L175 HydrophobicContact CG-CD1 3.78Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 WeakPolarHBondContact O-CB 3.24Å; L171-L175 VanDerWaalsContact O-CG 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.35Å; L171-L175 PolarHBondContact O-N 2.99Å; L171-L194 HydrophobicContact CD1-CD1 4.17Å; L171-L194 HydrophobicContact CD2-CD2 4.26Å; L171-V216 HydrophobicContact CD2-CB 4.28Å; L171-V216 HydrophobicContact CD2-CG1 3.93Å; L171-V216 HydrophobicContact CD2-CG2 4.01Å; L171-L219 HydrophobicContact CB-CD1 4.08Å; L171-L219 HydrophobicContact CD2-CB 4.14Å; L171-L219 HydrophobicContact CD2-CD1 3.79Å; L171-L219 HydrophobicContact CG-CD1 3.88Å
172K98.4Very high95.8Very high133 Ų13363 Ų6358%0.57831%0.312SS*.Hα-helixtrans-61.3-42.7177.3-176.5-178178.1-176.40111.8P168 E169 A170 L175 S176 L219P168-K172 WeakPolarHBondContact O-CB 3.22Å; P168-K172 PolarHBondContact O-N 2.79Å; E169-K172 WeakPolarHBondContact O-CB 3.42Å; E169-K172 PolarHBondContact O-N 2.93Å; A170-K172 VanDerWaalsContact C-N 3.33Å; A170-K172 PolarHBondContact O-N 2.88Å; K172-L175 PolarHBondContact O-N 3.25Å; K172-S176 PolarHBondContact O-N 3.36Å; K172-L219 HydrophobicContact CB-CD1 4.07Å; K172-L219 HydrophobicContact CB-CD2 4.01Å; K172-L219 HydrophobicContact CG-CD2 4.1Å
173E98.4Very high95.5Very high143 Ų14360.7 Ų60.767%0.66830%0.299SS*.Hα-helixtrans-62-48.2175.9-175.2-177.1171.400111.3E169 A170 L171 L175 S176E169-E173 PolarHBondContact O-N 3.01Å; A170-E173 PolarHBondContact O-N 2.86Å; L171-E173 VanDerWaalsContact C-N 3.35Å; L171-E173 PolarHBondContact O-N 3.3Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 3.23Å; E173-S176 WeakPolarHBondContact O-CB 3.45Å; E173-S176 PolarHBondContact O-N 2.79Å; E173-S176 PolarHBondContact O-OG 3.3Å
174V98Very high95.2Very high10 Ų1063 Ų636%0.06131%0.31CS..Hα-helixtrans-57.4-45.5175.8170.10000111L136 I157 A170 L171 S176 R177 W178L136-V174 HydrophobicContact CD2-CG1 3.6Å; I157-V174 HydrophobicContact CG2-CG1 3.67Å; A170-V174 WeakPolarHBondContact O-CG2 3.29Å; A170-V174 PolarHBondContact O-N 3.05Å; L171-V174 PolarHBondContact O-N 3.49Å; V174-S176 VanDerWaalsContact C-N 3.3Å; V174-S176 PolarHBondContact O-N 3.24Å; V174-R177 WeakPolarHBondContact O-CD 3.48Å; V174-R177 VanDerWaalsContact O-CG 3.29Å; V174-R177 WeakPolarHBondContact O-CG 3.33Å; V174-W178 VanDerWaalsContact O-CZ3 3.26Å; V174-W178 WeakPolarHBondContact O-CZ3 3.38Å
175L97.9Very high94.8Very high0 Ų064.2 Ų64.20%031%0.314CS..Hα-helixtrans-69-24.3-179.4-71.3168.6000113.8L136 L171 K172 E173 R177 W178 P191 L219 Y223 M225L136-L175 HydrophobicContact CD1-CD2 3.85Å; L136-L175 HydrophobicContact CD1-CG 4.45Å; L171-L175 HydrophobicContact CD1-CD1 3.83Å; L171-L175 HydrophobicContact CD1-CG 4.11Å; L171-L175 HydrophobicContact CG-CD1 3.78Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 WeakPolarHBondContact O-CB 3.24Å; L171-L175 VanDerWaalsContact O-CG 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.35Å; L171-L175 PolarHBondContact O-N 2.99Å; K172-L175 PolarHBondContact O-N 3.25Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 3.23Å; L175-R177 PolarHBondContact O-N 2.89Å; L175-W178 PolarHBondContact O-N 2.86Å; L175-P191 HydrophobicContact CD2-CG 3.69Å; L175-L219 HydrophobicContact CD1-CB 4.07Å; L175-L219 HydrophobicContact CD1-CD2 4.45Å; L175-Y223 HydrophobicContact CB-CD1 4.27Å; L175-Y223 HydrophobicContact CB-CD2 4.04Å; L175-Y223 HydrophobicContact CB-CE1 3.94Å; L175-Y223 HydrophobicContact CB-CE2 3.68Å; L175-Y223 HydrophobicContact CB-CG 4.31Å; L175-Y223 HydrophobicContact CD1-CD2 3.66Å; L175-Y223 HydrophobicContact CD1-CE2 3.96Å; L175-Y223 HydrophobicContact CD1-CG 4.17Å; L175-Y223 HydrophobicContact CD2-CD1 4.19Å; L175-Y223 HydrophobicContact CD2-CD2 4.32Å; L175-Y223 HydrophobicContact CD2-CG 4Å; L175-Y223 HydrophobicContact CG-CD2 4.23Å; L175-Y223 HydrophobicContact CG-CE2 4.34Å; L175-Y223 HydrophobicContact CG-CG 4.4Å; L175-Y223 WeakPolarHBondContact O-CE1 3.15Å; L175-M225 HydrophobicContact CD1-CE 3.82Å; L175-M225 HydrophobicContact CD2-CE 4.03Å; L175-M225 HydrophobicContact CD2-SD 3.85Å
176S96.8Very high93.8Very high82 Ų8270.6 Ų70.657%0.57335%0.354SS*.THydrogen-bonded Turntrans-62.7-10.7179.675.20000114.4K172 E173 V174 W178K172-S176 PolarHBondContact O-N 3.36Å; E173-S176 WeakPolarHBondContact O-CB 3.45Å; E173-S176 PolarHBondContact O-N 2.79Å; E173-S176 PolarHBondContact O-OG 3.3Å; V174-S176 VanDerWaalsContact C-N 3.3Å; V174-S176 PolarHBondContact O-N 3.24Å; S176-W178 PolarHBondContact O-N 3.04Å
177R95.7Very high93.2Very high171 Ų17176.3 Ų76.365%0.64539%0.393SS*.THydrogen-bonded Turntrans-67.1-14.5172.1-59.7172.8-170.4178.23.6113.1V174 L175V174-R177 WeakPolarHBondContact O-CD 3.48Å; V174-R177 VanDerWaalsContact O-CG 3.29Å; V174-R177 WeakPolarHBondContact O-CG 3.33Å; L175-R177 PolarHBondContact O-N 2.89Å
178W95.9Very high92.8Very high36 Ų3676.3 Ų76.314%0.13640%0.397CS..SBendtrans-120.8138.6179.3-62.9-85.8000111.2I157 V174 L175 S176 T189 A190 P191I157-W178 HydrophobicContact CD1-CH2 3.89Å; V174-W178 VanDerWaalsContact O-CZ3 3.26Å; V174-W178 WeakPolarHBondContact O-CZ3 3.38Å; L175-W178 PolarHBondContact O-N 2.86Å; S176-W178 PolarHBondContact O-N 3.04Å; W178-T189 VanDerWaalsContact NE1-C 3.33Å; W178-T189 PolarHBondContact NE1-O 3.33Å; W178-T189 PolarHBondContact NE1-OG1 3.45Å; W178-A190 HydrophobicContact CB-CB 4.2Å; W178-A190 HydrophobicContact CD2-CB 4.43Å; W178-A190 HydrophobicContact CG-CB 3.9Å; W178-P191 HydrophobicContact CE3-CG 4.42Å; W178-P191 HydrophobicContact CH2-CG 4.41Å; W178-P191 HydrophobicContact CZ3-CG 4.13Å
179D92.5Very high92.6Very high93 Ų9380.3 Ų80.350%0.49742%0.421SS..  trans-76.7130.9168.4-176.5-40.4000109.5S181 E182D179-S181 VanDerWaalsContact CG-OG 3.31Å; D179-S181 PolarHBondContact O-N 2.86Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.4Å; D179-S181 PolarHBondContact OD1-N 2.84Å; D179-S181 PolarHBondContact OD1-OG 3.19Å; D179-E182 HydrophobicContact CB-CG 3.96Å; D179-E182 WeakPolarHBondContact O-CB 3.4Å; D179-E182 PolarHBondContact O-N 3.05Å
180Q88.8Confident92.5Very high87 Ų8774.6 Ų74.641%0.40740%0.395SS..G310 helixtrans-58.5-34.7-178.3-68.3164.916.500112.6E182 V183 L222 Y223Q180-E182 PolarHBondContact O-N 3.38Å; Q180-V183 WeakPolarHBondContact O-CB 3.45Å; Q180-V183 WeakPolarHBondContact O-CG2 3.29Å; Q180-V183 PolarHBondContact O-N 2.9Å; Q180-L222 HydrophobicContact CG-CD1 4.48Å; Q180-L222 HydrophobicContact CG-CG 4.21Å; Q180-L222 VanDerWaalsContact NE2-CD2 3.32Å; Q180-L222 VanDerWaalsContact OE1-CD1 3.27Å; Q180-Y223 HydrophobicContact CG-CD1 4.28Å; Q180-Y223 HydrophobicContact CG-CE1 3.83Å; Q180-Y223 HydrophobicContact CG-CE2 4.44Å
181S87.1Confident92.4Very high83 Ų8374 Ų7458%0.5839%0.391SS*.G310 helixtrans-66.7-15.2177.770.10000112.9D179D179-S181 VanDerWaalsContact CG-OG 3.31Å; D179-S181 PolarHBondContact O-N 2.86Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.4Å; D179-S181 PolarHBondContact OD1-N 2.84Å; D179-S181 PolarHBondContact OD1-OG 3.19Å
182E85.3Confident92.2Very high85 Ų8576.5 Ų76.540%0.39740%0.4SS..G310 helixtrans-98.7-10-177.4-55.3-156.4129.100113.8D179 Q180 H184 K185 S188D179-E182 HydrophobicContact CB-CG 3.96Å; D179-E182 WeakPolarHBondContact O-CB 3.4Å; D179-E182 PolarHBondContact O-N 3.05Å; Q180-E182 PolarHBondContact O-N 3.38Å; E182-H184 PolarHBondContact O-N 2.98Å; E182-H184 VanDerWaalsContact O-N 3.1Å; E182-K185 HydrophobicContact CB-CD 4.01Å; E182-K185 HydrophobicContact CG-CD 4.04Å; E182-K185 WeakPolarHBondContact O-CB 3.36Å; E182-K185 PolarHBondContact O-N 2.78Å; E182-K185 IonicContact OE1-NZ 2.69Å; E182-K185 PolarHBondContact OE1-NZ 3.39Å; E182-S188 WeakPolarHBondContact O-CB 3.45Å; E182-S188 PolarHBondContact O-OG 3.47Å
183V89.3Confident92.2Very high2 Ų270.3 Ų70.31%0.01237%0.374CS..THydrogen-bonded Turntrans-55.2-32.4-177.7170.20000112.3R5 Q180 A190 Y223 D224R5-V183 PolarHBondContact NE-O 3.49Å; R5-V183 PolarHBondContact NH2-O 2.93Å; Q180-V183 WeakPolarHBondContact O-CB 3.45Å; Q180-V183 WeakPolarHBondContact O-CG2 3.29Å; Q180-V183 PolarHBondContact O-N 2.9Å; V183-A190 HydrophobicContact CG2-CB 4.06Å; V183-Y223 WeakPolarHBondContact CG1-O 3.46Å; V183-Y223 HydrophobicContact CG2-CD1 4.2Å; V183-D224 HydrophobicContact CG1-CB 3.99Å
184H88.9Confident92.2Very high128 Ų12863.5 Ų63.559%0.59334%0.342SS*.THydrogen-bonded Turntrans-95.61.2-179-58.1-61.1000114.6E182 D224E182-H184 PolarHBondContact O-N 2.98Å; E182-H184 VanDerWaalsContact O-N 3.1Å; H184-D224 IonicContact CE1-OD2 3.41Å; H184-D224 PolarHBondContact CE1-OD2 3.45Å; H184-D224 IonicContact ND1-OD2 2.99Å
185K89.1Confident92.2Very high105 Ų10563 Ų6346%0.45734%0.339SS..SBendtrans-72.5146-179.9-67.9-178.8-175.9177.30111E182 C187 S188E182-K185 HydrophobicContact CB-CD 4.01Å; E182-K185 HydrophobicContact CG-CD 4.04Å; E182-K185 WeakPolarHBondContact O-CB 3.36Å; E182-K185 PolarHBondContact O-N 2.78Å; E182-K185 IonicContact OE1-NZ 2.69Å; E182-K185 PolarHBondContact OE1-NZ 3.39Å; K185-C187 PolarHBondContact O-N 2.84Å; K185-S188 WeakPolarHBondContact O-CB 3.38Å; K185-S188 PolarHBondContact O-N 3.19Å
186P77.2Confident92.3Very high139 Ų13963.1 Ų63.190%0.90334%0.339SS*.THydrogen-bonded Turntrans-59.3-12.6-176.3-26.434.8000116.8
187C84.2Confident92.4Very high120 Ų12059.6 Ų59.681%0.81131%0.314SS*.THydrogen-bonded Turntrans-124.318.4178.5-56.10000112.5K185 T189K185-C187 PolarHBondContact O-N 2.84Å; C187-T189 PolarHBondContact O-N 3.34Å
188S91.4Very high92.5Very high40 Ų4051.5 Ų51.528%0.2828%0.284SS..  trans-62.5130.9177.9-165.40000110.4E182 K185 A190E182-S188 WeakPolarHBondContact O-CB 3.45Å; E182-S188 PolarHBondContact O-OG 3.47Å; K185-S188 WeakPolarHBondContact O-CB 3.38Å; K185-S188 PolarHBondContact O-N 3.19Å; S188-A190 VanDerWaalsContact C-N 3.31Å; S188-A190 WeakPolarHBondContact OG-CB 3.34Å; S188-A190 PolarHBondContact OG-N 3.16Å
189T93.9Very high92.6Very high91 Ų9149.8 Ų49.856%0.55828%0.277SS*.  trans-93.36.7170.660.70000111.7N134 W178 C187N134-T189 PolarHBondContact ND2-O 3.04Å; W178-T189 VanDerWaalsContact NE1-C 3.33Å; W178-T189 PolarHBondContact NE1-O 3.33Å; W178-T189 PolarHBondContact NE1-OG1 3.45Å; C187-T189 PolarHBondContact O-N 3.34Å
190A95.8Very high92.9Very high6 Ų645.4 Ų45.45%0.0525%0.254CS..  trans-57.5135.7178.600000110.2W178 V183 S188 R192W178-A190 HydrophobicContact CB-CB 4.2Å; W178-A190 HydrophobicContact CD2-CB 4.43Å; W178-A190 HydrophobicContact CG-CB 3.9Å; V183-A190 HydrophobicContact CG2-CB 4.06Å; S188-A190 VanDerWaalsContact C-N 3.31Å; S188-A190 WeakPolarHBondContact OG-CB 3.34Å; S188-A190 PolarHBondContact OG-N 3.16Å; A190-R192 PolarHBondContact O-N 3.31Å
191P96.4Very high93.2Very high1 Ų141.6 Ų41.61%0.00624%0.238CC..  trans-60138.9178.924.6-32.4000109.9N134 L136 L175 W178 M225N134-P191 HydrophobicContact CB-CB 4.12Å; N134-P191 WeakPolarHBondContact O-CA 3.45Å; L136-P191 HydrophobicContact CD1-CB 3.78Å; L136-P191 HydrophobicContact CD1-CG 3.56Å; L136-P191 HydrophobicContact CD2-CG 4.4Å; L136-P191 HydrophobicContact CG-CB 3.73Å; L136-P191 HydrophobicContact CG-CG 3.92Å; L175-P191 HydrophobicContact CD2-CG 3.69Å; W178-P191 HydrophobicContact CE3-CG 4.42Å; W178-P191 HydrophobicContact CH2-CG 4.41Å; W178-P191 HydrophobicContact CZ3-CG 4.13Å; P191-M225 HydrophobicContact CB-SD 4.36Å; P191-M225 HydrophobicContact CG-SD 4.11Å; P191-M225 WeakPolarHBondContact O-CG 3.46Å
192R94.9Very high93.7Very high51 Ų5138 Ų3819%0.19221%0.212CC..  trans-105.6-11.4-179.5-63.2-170.6-68.1-152.8-15.2113.1R5 F6 N130 D133 A190 M225 L226R5-R192 PolarHBondContact O-NH1 3.02Å; F6-R192 HydrophobicContact CD1-CB 3.98Å; F6-R192 HydrophobicContact CE1-CB 4.11Å; N130-R192 PolarHBondContact ND2-NH2 3.15Å; D133-R192 IonicContact OD1-NH2 3.8Å; D133-R192 PolarHBondContact OD1-NH2 3.3Å; D133-R192 VanDerWaalsContact OD1-NH2 3.07Å; D133-R192 IonicContact OD2-CZ 2.82Å; D133-R192 IonicContact OD2-NH2 3.3Å; D133-R192 PolarHBondContact OD2-NH2 3.21Å; A190-R192 PolarHBondContact O-N 3.31Å; R192-M225 WeakPolarHBondContact O-CA 3.46Å; R192-L226 PolarHBondContact O-N 2.91Å
193I98Very high94.4Very high4 Ų434 Ų342%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-139.4131.6-169.1-51.6169.7000108.8L128 V129 L136 L226 I228L128-I193 HydrophobicContact CB-CD1 3.35Å; L128-I193 HydrophobicContact CB-CG1 4.28Å; L128-I193 HydrophobicContact CD1-CD1 4.01Å; L128-I193 HydrophobicContact CD1-CG1 4.32Å; L128-I193 HydrophobicContact CG-CD1 4.31Å; V129-I193 HydrophobicContact CG2-CD1 3.65Å; L136-I193 PolarHBondContact N-O 3.02Å; I193-L226 WeakPolarHBondContact CA-O 3.41Å; I193-I228 HydrophobicContact CG2-CD1 3.31Å; I193-I228 HydrophobicContact CG2-CG1 3.83Å
194L98.9Very high94.8Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-113.3123.2165.6-176.372.9000108.5L136 M166 L171 V216 L226 I227 I228L136-L194 HydrophobicContact CB-CD1 3.37Å; L136-L194 HydrophobicContact CD1-CD1 4.23Å; L136-L194 HydrophobicContact CG-CD1 4.46Å; L136-L194 CarbonylContact O-C 3.36Å; L136-L194 WeakPolarHBondContact O-CA 3.19Å; M166-L194 HydrophobicContact CE-CD1 3.61Å; M166-L194 HydrophobicContact CE-CD2 4.4Å; M166-L194 HydrophobicContact CE-CG 4.19Å; M166-L194 HydrophobicContact SD-CD1 3.89Å; M166-L194 HydrophobicContact SD-CD2 4.08Å; M166-L194 HydrophobicContact SD-CG 4.44Å; L171-L194 HydrophobicContact CD1-CD1 4.17Å; L171-L194 HydrophobicContact CD2-CD2 4.26Å; L194-V216 HydrophobicContact CD2-CG1 3.35Å; L194-L226 PolarHBondContact N-O 3.19Å; L194-I227 HydrophobicContact CB-CG1 4.39Å; L194-I227 HydrophobicContact CD2-CG1 4.25Å; L194-I227 HydrophobicContact CD2-CG2 4.5Å; L194-I227 CarbonylContact O-C 3.51Å; L194-I227 WeakPolarHBondContact O-CA 3.28Å; L194-I228 PolarHBondContact O-N 2.91Å
195Y98.9Very high95.2Very high0 Ų029.2 Ų29.20%017%0.173CC..EExtended strand (participates in β ladder)trans-103.1138.7170.2168.3-91.8000109.8L121 F125 L136 L137 T145 I197 I228 D230L121-Y195 HydrophobicContact CD1-CD2 4.09Å; L121-Y195 HydrophobicContact CD1-CE2 3.84Å; L121-Y195 HydrophobicContact CD2-CE2 3.84Å; L121-Y195 HydrophobicContact CG-CE2 4.46Å; F125-Y195 HydrophobicContact CE1-CD2 4.18Å; F125-Y195 AromaticContact CZ-CD2 3.85Å; F125-Y195 HydrophobicContact CZ-CD2 3.85Å; F125-Y195 HydrophobicContact CZ-CE2 4.19Å; F125-Y195 HydrophobicContact CZ-CG 4.41Å; L136-Y195 PolarHBondContact O-N 3.09Å; L137-Y195 WeakPolarHBondContact CA-O 3.42Å; L137-Y195 HydrophobicContact CB-CD1 4.01Å; L137-Y195 HydrophobicContact CD2-CD1 4.41Å; T145-Y195 HydrophobicContact CG2-CD1 3.93Å; T145-Y195 HydrophobicContact CG2-CD2 4.35Å; T145-Y195 HydrophobicContact CG2-CE1 3.63Å; T145-Y195 HydrophobicContact CG2-CE2 4.07Å; T145-Y195 HydrophobicContact CG2-CG 4.28Å; T145-Y195 PolarHBondContact OG1-OH 3.16Å; Y195-I197 HydrophobicContact CE1-CD1 4.49Å; Y195-I197 HydrophobicContact CE1-CG1 4.06Å; Y195-I197 WeakPolarHBondContact OH-CD1 3.46Å; Y195-I197 VanDerWaalsContact OH-CG1 3.26Å; Y195-I197 WeakPolarHBondContact OH-CG1 3.48Å; Y195-I228 HydrophobicContact CD2-CB 4.26Å; Y195-I228 HydrophobicContact CD2-CG2 3.98Å; Y195-D230 HydrophobicContact CD2-CB 4.32Å; Y195-D230 HydrophobicContact CE2-CB 3.41Å; Y195-D230 VanDerWaalsContact CE2-CB 3.41Å; Y195-D230 PolarHBondContact OH-OD2 2.98Å
196T98.8Very high95.6Very high1 Ų124.7 Ų24.71%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-154.3155.1171.5-166.40000111.7D138 P198 M208 I228 D230 F246D138-T196 PolarHBondContact OD1-OG1 2.83Å; T196-P198 WeakPolarHBondContact O-CD 3.12Å; T196-M208 HydrophobicContact CG2-CE 4.39Å; T196-I228 PolarHBondContact N-O 2.87Å; T196-I228 VanDerWaalsContact N-O 3.16Å; T196-D230 PolarHBondContact O-N 3.41Å; T196-F246 HydrophobicContact CG2-CE2 3.94Å
197I98.8Very high96.6Very high9 Ų918.8 Ų18.85%0.04612%0.118CC..  trans-106.493.8170.1-54.4171.8000107.1Y195 N199 N202 D230 Y233Y195-I197 HydrophobicContact CE1-CD1 4.49Å; Y195-I197 HydrophobicContact CE1-CG1 4.06Å; Y195-I197 WeakPolarHBondContact OH-CD1 3.46Å; Y195-I197 VanDerWaalsContact OH-CG1 3.26Å; Y195-I197 WeakPolarHBondContact OH-CG1 3.48Å; I197-N199 VanDerWaalsContact C-N 3.3Å; I197-N199 PolarHBondContact O-N 3.25Å; I197-N202 HydrophobicContact CD1-CB 4.43Å; I197-D230 WeakPolarHBondContact CA-O 3.33Å; I197-D230 HydrophobicContact CG1-CB 4.44Å; I197-D230 WeakPolarHBondContact CG2-O 3.45Å; I197-Y233 HydrophobicContact CG2-CD2 4.24Å
198P98.2Very high97.2Very high1 Ų113.2 Ų13.21%0.0068%0.08CC..  trans-75.6-16-163.732.9-40.4000114.1T196 S207 M208 E229 D230 D231 F246T196-P198 WeakPolarHBondContact O-CD 3.12Å; P198-S207 CarbonylContact O-C 3.56Å; P198-S207 VanDerWaalsContact O-CA 3.3Å; P198-S207 WeakPolarHBondContact O-CA 3.41Å; P198-M208 PolarHBondContact O-N 2.91Å; P198-E229 HydrophobicContact CG-CG 3.73Å; P198-D230 WeakPolarHBondContact CD-O 3.2Å; P198-D231 HydrophobicContact CG-CB 4.17Å; P198-F246 HydrophobicContact CB-CE2 4.46Å
199N98.4Very high97.5Very high0 Ų013.7 Ų13.70%08%0.081CC..SBendtrans-128.9129.6179.4-57.7-61.1000109.9I197 G201 D231 Y233 Q237 A353I197-N199 VanDerWaalsContact C-N 3.3Å; I197-N199 PolarHBondContact O-N 3.25Å; N199-G201 VanDerWaalsContact C-N 3.26Å; N199-G201 PolarHBondContact O-N 3.26Å; N199-D231 WeakPolarHBondContact CB-OD1 3.37Å; N199-D231 PolarHBondContact ND2-OD1 3.39Å; N199-D231 PolarHBondContact ND2-OD2 2.71Å; N199-Y233 WeakPolarHBondContact O-CB 3.43Å; N199-Q237 HydrophobicContact CB-CG 4.32Å; N199-A353 HydrophobicContact CB-CB 4.38Å
200G97.8Very high97.7Very high0 Ų010.6 Ų10.60%07%0.065CC..SBendtrans54.842.3174.500000112.9N202 A206 S207 Y233 A353G200-N202 PolarHBondContact O-N 3.28Å; G200-A206 PolarHBondContact N-O 3.09Å; G200-A206 VanDerWaalsContact N-O 3.08Å; G200-S207 PolarHBondContact N-OG 3.5Å; G200-Y233 WeakPolarHBondContact O-CD2 3.26Å; G200-A353 WeakPolarHBondContact CA-O 3.41Å
201G96.4Very high97.8Very high7 Ų716.1 Ų16.17%0.0729%0.09CC..  trans-44.8130.9-171.400000112.3N199 P203 T204 G205 A206N199-G201 VanDerWaalsContact C-N 3.26Å; N199-G201 PolarHBondContact O-N 3.26Å; G201-P203 CarbonylContact O-C 3.56Å; G201-T204 PolarHBondContact O-N 3.36Å; G201-T204 PolarHBondContact O-OG1 2.85Å; G201-G205 PolarHBondContact O-N 3Å; G201-A206 PolarHBondContact N-O 2.86Å
202N98.1Very high97.9Very high8 Ų818 Ų184%0.04310%0.097CC..THydrogen-bonded Turntrans-88.2113.1176-179.55.7000108.2T141 Y142 I197 G200 Y233 F356 R400T141-N202 CarbonylContact C-O 3.48Å; T141-N202 WeakPolarHBondContact CA-O 3.36Å; Y142-N202 WeakPolarHBondContact CD2-ND2 3.28Å; Y142-N202 PolarHBondContact N-O 2.99Å; I197-N202 HydrophobicContact CD1-CB 4.43Å; G200-N202 PolarHBondContact O-N 3.28Å; N202-Y233 HydrophobicContact CB-CE2 4.16Å; N202-F356 HydrophobicContact CB-CD2 4.11Å; N202-F356 HydrophobicContact CB-CE2 3.88Å; N202-F356 VanDerWaalsContact CG-CE2 3.43Å; N202-R400 PolarHBondContact ND2-NH1 3.08Å; N202-R400 PolarHBondContact OD1-NH1 3.33Å
203P98.1Very high98.1Very high0 Ų015.6 Ų15.60%09%0.088CC..THydrogen-bonded Turncis-102.7-12.421.439.4-39.6000116.8P140 G201 G205 W358 F388 R400P140-P203 HydrophobicContact CB-CG 3.79Å; P140-P203 HydrophobicContact CG-CG 4.01Å; G201-P203 CarbonylContact O-C 3.56Å; P203-G205 PolarHBondContact O-N 3.5Å; P203-W358 HydrophobicContact CB-CD2 4.2Å; P203-W358 HydrophobicContact CB-CE3 3.68Å; P203-W358 HydrophobicContact CB-CH2 4.33Å; P203-W358 HydrophobicContact CB-CZ3 3.77Å; P203-W358 HydrophobicContact CG-CD2 4.02Å; P203-W358 HydrophobicContact CG-CE3 3.86Å; P203-W358 HydrophobicContact CG-CH2 3.82Å; P203-W358 HydrophobicContact CG-CZ2 4.03Å; P203-W358 HydrophobicContact CG-CZ3 3.78Å; P203-F388 HydrophobicContact CB-CD1 3.96Å; P203-F388 HydrophobicContact CB-CD2 3.81Å; P203-F388 HydrophobicContact CB-CE1 4.06Å; P203-F388 HydrophobicContact CB-CE2 3.91Å; P203-F388 HydrophobicContact CB-CG 3.84Å; P203-F388 HydrophobicContact CB-CZ 4.04Å; P203-F388 HydrophobicContact CG-CB 3.74Å; P203-F388 HydrophobicContact CG-CD1 3.99Å; P203-F388 HydrophobicContact CG-CD2 3.79Å; P203-F388 HydrophobicContact CG-CE2 4.39Å; P203-F388 HydrophobicContact CG-CG 3.56Å; P203-R400 HydrophobicContact CB-CB 4.12Å; P203-R400 HydrophobicContact CB-CG 3.82Å
204T97.9Very high98.1Very high28 Ų2821.1 Ų21.117%0.17211%0.108CC..THydrogen-bonded Turntrans-65-27.2-163.362.70000116P140 G201 A206P140-T204 HydrophobicContact CG-CG2 3.63Å; G201-T204 PolarHBondContact O-N 3.36Å; G201-T204 PolarHBondContact O-OG1 2.85Å; T204-A206 PolarHBondContact O-N 3.36Å; T204-A206 WeakPolarHBondContact OG1-CB 3.34Å; T204-A206 PolarHBondContact OG1-N 3.24Å; T204-A206 VanDerWaalsContact OG1-N 3.12Å
205G97.6Very high98.1Very high2 Ų223.1 Ų23.12%0.02112%0.119CC..  trans706-166.900000114.1G201 P203 S352G201-G205 PolarHBondContact O-N 3Å; P203-G205 PolarHBondContact O-N 3.5Å; G205-S352 PolarHBondContact O-N 3.48Å
206A97.1Very high98.1Very high10 Ų1023.1 Ų23.18%0.08312%0.119CC..  trans-74.8148.9-178.900000111.3G200 G201 T204G200-A206 PolarHBondContact N-O 3.09Å; G200-A206 VanDerWaalsContact N-O 3.08Å; G201-A206 PolarHBondContact N-O 2.86Å; T204-A206 PolarHBondContact O-N 3.36Å; T204-A206 WeakPolarHBondContact OG1-CB 3.34Å; T204-A206 PolarHBondContact OG1-N 3.24Å; T204-A206 VanDerWaalsContact OG1-N 3.12Å
207S98.3Very high98.1Very high16 Ų1623.6 Ų23.611%0.11212%0.121CC..  trans-129.2136.2174.3-52.50000110.1H164 P198 G200 S352H164-S207 CarbonylContact C-O 3.1Å; H164-S207 WeakPolarHBondContact CA-O 3.3Å; P198-S207 CarbonylContact O-C 3.56Å; P198-S207 VanDerWaalsContact O-CA 3.3Å; P198-S207 WeakPolarHBondContact O-CA 3.41Å; G200-S207 PolarHBondContact N-OG 3.5Å; S207-S352 VanDerWaalsContact CB-OG 3.24Å; S207-S352 WeakPolarHBondContact CB-OG 3.43Å; S207-S352 PolarHBondContact OG-OG 2.92Å
208M98.1Very high98.1Very high3 Ų328.8 Ų28.82%0.01514%0.143CC..  trans-73.1130.5179.8-165.8-178.8-58.400111H164 M166 T196 P198 R212 K213 V216 F246H164-M208 WeakPolarHBondContact O-CA 3.22Å; M166-M208 HydrophobicContact CB-CE 3.58Å; T196-M208 HydrophobicContact CG2-CE 4.39Å; P198-M208 PolarHBondContact O-N 2.91Å; M208-R212 HydrophobicContact CG-CB 3.57Å; M208-R212 HydrophobicContact SD-CB 4.1Å; M208-K213 HydrophobicContact CB-CG 4.13Å; M208-K213 HydrophobicContact CG-CG 3.8Å; M208-K213 WeakPolarHBondContact O-CE 3.42Å; M208-K213 HydrophobicContact SD-CB 4.26Å; M208-K213 HydrophobicContact SD-CG 3.53Å; M208-K213 VanDerWaalsContact SD-CG 3.53Å; M208-V216 HydrophobicContact SD-CG2 4.17Å; M208-F246 HydrophobicContact CE-CE2 4.44Å; M208-F246 HydrophobicContact CE-CZ 4.29Å; M208-F246 HydrophobicContact SD-CE2 4.13Å; M208-F246 HydrophobicContact SD-CZ 3.72Å
209T97.6Very high98.2Very high50 Ų5029.5 Ų29.531%0.30715%0.147SC..  trans-68.8157176.267.60000111.3H164 E211 R212 K213H164-T209 HydrophobicContact CB-CG2 4.12Å; T209-E211 PolarHBondContact O-N 3.24Å; T209-R212 PolarHBondContact O-N 3.45Å; T209-R212 WeakPolarHBondContact OG1-CG 3.27Å; T209-R212 PolarHBondContact OG1-N 3.38Å; T209-K213 WeakPolarHBondContact O-CG 3.5Å; T209-K213 PolarHBondContact O-N 3.05Å
210A97.6Very high98.2Very high26 Ų2629.5 Ų29.522%0.21515%0.147CC..Hα-helixtrans-58.8-33.4176.800000112.7R214 P244A210-R214 WeakPolarHBondContact O-CG 3.28Å; A210-R214 PolarHBondContact O-N 3.24Å; A210-R214 PolarHBondContact O-NH1 3.32Å; A210-P244 HydrophobicContact CB-CG 4.3Å
211E98.3Very high98.2Very high122 Ų12233 Ų3357%0.5716%0.163SC*.Hα-helixtrans-65.4-51.2175.7-175.9174.2-166.300111.7T209 K213 R214 D215T209-E211 PolarHBondContact O-N 3.24Å; E211-K213 VanDerWaalsContact C-N 3.32Å; E211-K213 PolarHBondContact O-N 3.17Å; E211-R214 VanDerWaalsContact CA-NH2 3.35Å; E211-R214 WeakPolarHBondContact O-CB 3.13Å; E211-R214 PolarHBondContact O-N 3.32Å; E211-D215 PolarHBondContact O-N 2.83Å
212R98.4Very high98.2Very high40 Ų4036.8 Ų36.815%0.15118%0.181CC..Hα-helixtrans-60.6-40.1177.1-71.7-174167.8-169.68.9112.3D162 H164 G165 M166 P168 M208 T209 R214 D215 V216D162-R212 IonicContact OD1-CZ 3.23Å; D162-R212 IonicContact OD1-NH1 3.77Å; D162-R212 PolarHBondContact OD1-NH1 3.15Å; D162-R212 IonicContact OD1-NH2 3.71Å; D162-R212 PolarHBondContact OD1-NH2 3.05Å; D162-R212 IonicContact OD2-CZ 2.87Å; D162-R212 IonicContact OD2-NH1 2.62Å; D162-R212 PolarHBondContact OD2-NH1 2.84Å; D162-R212 IonicContact OD2-NH2 3.21Å; D162-R212 PolarHBondContact OD2-NH2 3.24Å; H164-R212 WeakPolarHBondContact O-CD 3.38Å; H164-R212 PolarHBondContact O-NH1 2.94Å; G165-R212 PolarHBondContact O-NH1 3.41Å; M166-R212 WeakPolarHBondContact O-CD 3.32Å; M166-R212 PolarHBondContact O-NH1 2.87Å; P168-R212 HydrophobicContact CG-CB 3.88Å; P168-R212 HydrophobicContact CG-CG 3.73Å; M208-R212 HydrophobicContact CG-CB 3.57Å; M208-R212 HydrophobicContact SD-CB 4.1Å; T209-R212 PolarHBondContact O-N 3.45Å; T209-R212 WeakPolarHBondContact OG1-CG 3.27Å; T209-R212 PolarHBondContact OG1-N 3.38Å; R212-R214 VanDerWaalsContact C-N 3.31Å; R212-R214 PolarHBondContact O-N 2.75Å; R212-D215 PolarHBondContact O-N 2.91Å; R212-V216 WeakPolarHBondContact O-CB 3.47Å; R212-V216 VanDerWaalsContact O-CG2 3.29Å; R212-V216 WeakPolarHBondContact O-CG2 3.49Å; R212-V216 PolarHBondContact O-N 3.36Å
213K98.9Very high98.2Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-58-42.6173.7-69.5-177.2-170.8-175.60111.7M208 T209 E211 Y217 P244 F246 M249M208-K213 HydrophobicContact CB-CG 4.13Å; M208-K213 HydrophobicContact CG-CG 3.8Å; M208-K213 WeakPolarHBondContact O-CE 3.42Å; M208-K213 HydrophobicContact SD-CB 4.26Å; M208-K213 HydrophobicContact SD-CG 3.53Å; M208-K213 VanDerWaalsContact SD-CG 3.53Å; T209-K213 WeakPolarHBondContact O-CG 3.5Å; T209-K213 PolarHBondContact O-N 3.05Å; E211-K213 VanDerWaalsContact C-N 3.32Å; E211-K213 PolarHBondContact O-N 3.17Å; K213-Y217 VanDerWaalsContact O-CB 3.28Å; K213-Y217 WeakPolarHBondContact O-CB 3.46Å; K213-Y217 PolarHBondContact O-N 2.94Å; K213-P244 WeakPolarHBondContact CD-O 3.5Å; K213-P244 WeakPolarHBondContact CE-O 3.29Å; K213-P244 PolarHBondContact NZ-O 3.09Å; K213-F246 HydrophobicContact CB-CD1 4.31Å; K213-F246 HydrophobicContact CB-CE1 3.91Å; K213-F246 HydrophobicContact CB-CE2 4.47Å; K213-F246 HydrophobicContact CB-CZ 4Å; K213-F246 HydrophobicContact CD-CD2 4.42Å; K213-F246 HydrophobicContact CD-CE2 4.36Å; K213-F246 HydrophobicContact CG-CD2 4.39Å; K213-F246 HydrophobicContact CG-CE1 4.25Å; K213-F246 HydrophobicContact CG-CE2 3.91Å; K213-F246 HydrophobicContact CG-CZ 3.84Å; K213-F246 WeakPolarHBondContact O-CE1 3.48Å; K213-M249 HydrophobicContact CB-CE 3.93Å; K213-M249 HydrophobicContact CB-SD 4.3Å
214R98.8Very high98.1Very high120 Ų12038.1 Ų38.145%0.45319%0.187SC..Hα-helixtrans-63.6-41.6176.5-72.8-176.5-63-97.55.9112.1A210 E211 R212 Y217 K218 M249A210-R214 WeakPolarHBondContact O-CG 3.28Å; A210-R214 PolarHBondContact O-N 3.24Å; A210-R214 PolarHBondContact O-NH1 3.32Å; E211-R214 VanDerWaalsContact CA-NH2 3.35Å; E211-R214 WeakPolarHBondContact O-CB 3.13Å; E211-R214 PolarHBondContact O-N 3.32Å; R212-R214 VanDerWaalsContact C-N 3.31Å; R212-R214 PolarHBondContact O-N 2.75Å; R214-Y217 PolarHBondContact O-N 3.47Å; R214-K218 WeakPolarHBondContact O-CG 3.38Å; R214-K218 PolarHBondContact O-N 3.37Å; R214-M249 HydrophobicContact CG-CE 4.19Å; R214-M249 HydrophobicContact CG-SD 4.05Å
215D98.8Very high98.1Very high43 Ų4336.8 Ų36.823%0.2318%0.179CC..Hα-helixtrans-74.3-38.4-178.1-65-30.3000112.4P168 E211 R212 Y217 K218 L219P168-D215 HydrophobicContact CB-CB 3.87Å; P168-D215 HydrophobicContact CG-CB 4.07Å; E211-D215 PolarHBondContact O-N 2.83Å; R212-D215 PolarHBondContact O-N 2.91Å; D215-Y217 VanDerWaalsContact C-N 3.33Å; D215-K218 PolarHBondContact O-N 2.93Å; D215-K218 IonicContact OD1-NZ 2.72Å; D215-K218 PolarHBondContact OD1-NZ 3.39Å; D215-L219 WeakPolarHBondContact O-CG 3.49Å; D215-L219 PolarHBondContact O-N 2.93Å
216V98.9Very high98.2Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-60.3-43.5168.6171.10000110.8M166 P168 L171 L194 M208 R212 K218 L219 A220 I227 F246M166-V216 HydrophobicContact SD-CG2 4.34Å; P168-V216 HydrophobicContact CB-CG2 4.5Å; P168-V216 HydrophobicContact CG-CG2 4.26Å; L171-V216 HydrophobicContact CD2-CB 4.28Å; L171-V216 HydrophobicContact CD2-CG1 3.93Å; L171-V216 HydrophobicContact CD2-CG2 4.01Å; L194-V216 HydrophobicContact CD2-CG1 3.35Å; M208-V216 HydrophobicContact SD-CG2 4.17Å; R212-V216 WeakPolarHBondContact O-CB 3.47Å; R212-V216 VanDerWaalsContact O-CG2 3.29Å; R212-V216 WeakPolarHBondContact O-CG2 3.49Å; R212-V216 PolarHBondContact O-N 3.36Å; V216-K218 PolarHBondContact O-N 3.45Å; V216-L219 PolarHBondContact O-N 2.81Å; V216-A220 PolarHBondContact O-N 2.7Å; V216-I227 HydrophobicContact CG1-CD1 4.17Å; V216-F246 HydrophobicContact CB-CE1 4.02Å; V216-F246 HydrophobicContact CB-CZ 4.06Å; V216-F246 HydrophobicContact CG1-CE1 3.83Å; V216-F246 HydrophobicContact CG1-CZ 3.77Å
217Y98.9Very high98.3Very high11 Ų1136.2 Ų36.24%0.04317%0.174CC..Hα-helixtrans-59.7-48.4176.7-170.6-97.4000111.1K213 R214 D215 L219 A220 Q221 I227 F246 M249 D250 V251 D252 R254 I255K213-Y217 VanDerWaalsContact O-CB 3.28Å; K213-Y217 WeakPolarHBondContact O-CB 3.46Å; K213-Y217 PolarHBondContact O-N 2.94Å; R214-Y217 PolarHBondContact O-N 3.47Å; D215-Y217 VanDerWaalsContact C-N 3.33Å; Y217-L219 VanDerWaalsContact C-N 3.29Å; Y217-L219 PolarHBondContact O-N 2.79Å; Y217-A220 CarbonylContact O-C 3.57Å; Y217-A220 WeakPolarHBondContact O-CA 3.28Å; Y217-A220 WeakPolarHBondContact O-CB 3.38Å; Y217-A220 PolarHBondContact O-N 2.93Å; Y217-Q221 HydrophobicContact CD1-CG 3.94Å; Y217-Q221 VanDerWaalsContact CE1-CD 3.45Å; Y217-Q221 HydrophobicContact CE1-CG 3.75Å; Y217-Q221 WeakPolarHBondContact O-CG 3.46Å; Y217-Q221 PolarHBondContact O-N 2.93Å; Y217-I227 HydrophobicContact CD2-CD1 4.27Å; Y217-F246 HydrophobicContact CD2-CD1 4.4Å; Y217-M249 HydrophobicContact CD2-CG 4.39Å; Y217-M249 HydrophobicContact CG-CG 4.42Å; Y217-M249 HydrophobicContact CG-SD 4.48Å; Y217-D250 WeakPolarHBondContact OH-CA 3.41Å; Y217-D250 PolarHBondContact OH-OD1 3.09Å; Y217-V251 HydrophobicContact CE1-CG2 4.05Å; Y217-V251 PolarHBondContact OH-N 2.99Å; Y217-D252 PolarHBondContact OH-N 2.69Å; Y217-D252 VanDerWaalsContact OH-N 3.08Å; Y217-R254 HydrophobicContact CE2-CG 3.65Å; Y217-I255 HydrophobicContact CD2-CD1 4.04Å; Y217-I255 HydrophobicContact CE2-CD1 3.92Å; Y217-I255 HydrophobicContact CE2-CG1 4.14Å
218K98.8Very high98.3Very high117 Ų11735.4 Ų35.451%0.50917%0.169SC..Hα-helixtrans-56.4-41.3176-70168.9-165.2158.60112.4R214 D215 V216 Q221 L222R214-K218 WeakPolarHBondContact O-CG 3.38Å; R214-K218 PolarHBondContact O-N 3.37Å; D215-K218 PolarHBondContact O-N 2.93Å; D215-K218 IonicContact OD1-NZ 2.72Å; D215-K218 PolarHBondContact OD1-NZ 3.39Å; V216-K218 PolarHBondContact O-N 3.45Å; K218-Q221 WeakPolarHBondContact O-CB 3.44Å; K218-Q221 PolarHBondContact O-N 2.87Å; K218-L222 WeakPolarHBondContact O-CB 3.45Å; K218-L222 PolarHBondContact O-N 3.02Å
219L98.6Very high98.3Very high17 Ų1735.3 Ų35.39%0.08917%0.168CC..Hα-helixtrans-65.8-39.8176-70.9167.9000111.5P168 L171 K172 L175 D215 V216 Y217 Q221 L222 Y223P168-L219 WeakPolarHBondContact O-CD1 3.48Å; L171-L219 HydrophobicContact CB-CD1 4.08Å; L171-L219 HydrophobicContact CD2-CB 4.14Å; L171-L219 HydrophobicContact CD2-CD1 3.79Å; L171-L219 HydrophobicContact CG-CD1 3.88Å; K172-L219 HydrophobicContact CB-CD1 4.07Å; K172-L219 HydrophobicContact CB-CD2 4.01Å; K172-L219 HydrophobicContact CG-CD2 4.1Å; L175-L219 HydrophobicContact CD1-CB 4.07Å; L175-L219 HydrophobicContact CD1-CD2 4.45Å; D215-L219 WeakPolarHBondContact O-CG 3.49Å; D215-L219 PolarHBondContact O-N 2.93Å; V216-L219 PolarHBondContact O-N 2.81Å; Y217-L219 VanDerWaalsContact C-N 3.29Å; Y217-L219 PolarHBondContact O-N 2.79Å; L219-Q221 VanDerWaalsContact C-N 3.29Å; L219-Q221 PolarHBondContact O-N 2.92Å; L219-L222 PolarHBondContact O-N 3.4Å; L219-Y223 HydrophobicContact CD2-CE2 4.47Å; L219-Y223 WeakPolarHBondContact O-CD2 3.26Å; L219-Y223 PolarHBondContact O-N 3.04Å
220A98.5Very high98.4Very high0 Ų033.1 Ų33.10%016%0.155CC..Hα-helixtrans-63.1-35.4172.600000112.3V216 Y217 D224 M225 I227 R254V216-A220 PolarHBondContact O-N 2.7Å; Y217-A220 CarbonylContact O-C 3.57Å; Y217-A220 WeakPolarHBondContact O-CA 3.28Å; Y217-A220 WeakPolarHBondContact O-CB 3.38Å; Y217-A220 PolarHBondContact O-N 2.93Å; A220-D224 CarbonylContact O-C 3.6Å; A220-D224 WeakPolarHBondContact O-CA 2.92Å; A220-D224 PolarHBondContact O-N 3.35Å; A220-M225 HydrophobicContact CB-CB 4.21Å; A220-M225 HydrophobicContact CB-CE 4.26Å; A220-M225 PolarHBondContact O-N 2.85Å; A220-I227 HydrophobicContact CB-CD1 3.69Å; A220-I227 HydrophobicContact CB-CG1 3.79Å; A220-R254 PolarHBondContact O-NH1 2.95Å
221Q97.9Very high98.4Very high74 Ų7432 Ų3235%0.34615%0.145SC..Hα-helixtrans-64.3-48172-58.1-172.3-78.400111.6Y217 K218 L219 Y223 D224 D252Y217-Q221 HydrophobicContact CD1-CG 3.94Å; Y217-Q221 VanDerWaalsContact CE1-CD 3.45Å; Y217-Q221 HydrophobicContact CE1-CG 3.75Å; Y217-Q221 WeakPolarHBondContact O-CG 3.46Å; Y217-Q221 PolarHBondContact O-N 2.93Å; K218-Q221 WeakPolarHBondContact O-CB 3.44Å; K218-Q221 PolarHBondContact O-N 2.87Å; L219-Q221 VanDerWaalsContact C-N 3.29Å; L219-Q221 PolarHBondContact O-N 2.92Å; Q221-Y223 VanDerWaalsContact C-N 3.34Å; Q221-Y223 PolarHBondContact O-N 3.17Å; Q221-D224 PolarHBondContact O-N 3.27Å; Q221-D252 VanDerWaalsContact CG-OD2 3.24Å; Q221-D252 WeakPolarHBondContact CG-OD2 3.35Å; Q221-D252 PolarHBondContact NE2-OD2 2.72Å
222L96.8Very high98.5Very high86 Ų8627.1 Ų27.145%0.4512%0.124SC..Hα-helixtrans-63.9-36.4-175.1-171.560.3000113.3Q180 K218 L219Q180-L222 HydrophobicContact CG-CD1 4.48Å; Q180-L222 HydrophobicContact CG-CG 4.21Å; Q180-L222 VanDerWaalsContact NE2-CD2 3.32Å; Q180-L222 VanDerWaalsContact OE1-CD1 3.27Å; K218-L222 WeakPolarHBondContact O-CB 3.45Å; K218-L222 PolarHBondContact O-N 3.02Å; L219-L222 PolarHBondContact O-N 3.4Å
223Y97.4Very high98.5Very high15 Ų1525.7 Ų25.76%0.05912%0.119CC..THydrogen-bonded Turntrans-104.213.3179.8-70.1-91.9000113.4L175 Q180 V183 L219 Q221 M225L175-Y223 HydrophobicContact CB-CD1 4.27Å; L175-Y223 HydrophobicContact CB-CD2 4.04Å; L175-Y223 HydrophobicContact CB-CE1 3.94Å; L175-Y223 HydrophobicContact CB-CE2 3.68Å; L175-Y223 HydrophobicContact CB-CG 4.31Å; L175-Y223 HydrophobicContact CD1-CD2 3.66Å; L175-Y223 HydrophobicContact CD1-CE2 3.96Å; L175-Y223 HydrophobicContact CD1-CG 4.17Å; L175-Y223 HydrophobicContact CD2-CD1 4.19Å; L175-Y223 HydrophobicContact CD2-CD2 4.32Å; L175-Y223 HydrophobicContact CD2-CG 4Å; L175-Y223 HydrophobicContact CG-CD2 4.23Å; L175-Y223 HydrophobicContact CG-CE2 4.34Å; L175-Y223 HydrophobicContact CG-CG 4.4Å; L175-Y223 WeakPolarHBondContact O-CE1 3.15Å; Q180-Y223 HydrophobicContact CG-CD1 4.28Å; Q180-Y223 HydrophobicContact CG-CE1 3.83Å; Q180-Y223 HydrophobicContact CG-CE2 4.44Å; V183-Y223 WeakPolarHBondContact CG1-O 3.46Å; V183-Y223 HydrophobicContact CG2-CD1 4.2Å; L219-Y223 HydrophobicContact CD2-CE2 4.47Å; L219-Y223 WeakPolarHBondContact O-CD2 3.26Å; L219-Y223 PolarHBondContact O-N 3.04Å; Q221-Y223 VanDerWaalsContact C-N 3.34Å; Q221-Y223 PolarHBondContact O-N 3.17Å; Y223-M225 PolarHBondContact O-N 2.98Å
224D97.2Very high98.5Very high20 Ų2026.1 Ų26.111%0.10712%0.12CC..THydrogen-bonded Turntrans43.160.1-177.9-169.241.3000113.7R5 F6 V183 H184 A220 Q221 R254R5-D224 IonicContact CZ-OD2 3.37Å; R5-D224 PolarHBondContact NH1-O 3.23Å; R5-D224 IonicContact NH1-OD2 2.78Å; R5-D224 PolarHBondContact NH1-OD2 3.24Å; F6-D224 WeakPolarHBondContact CE1-O 3.14Å; F6-D224 WeakPolarHBondContact CZ-O 3.47Å; V183-D224 HydrophobicContact CG1-CB 3.99Å; H184-D224 IonicContact CE1-OD2 3.41Å; H184-D224 PolarHBondContact CE1-OD2 3.45Å; H184-D224 IonicContact ND1-OD2 2.99Å; A220-D224 CarbonylContact O-C 3.6Å; A220-D224 WeakPolarHBondContact O-CA 2.92Å; A220-D224 PolarHBondContact O-N 3.35Å; Q221-D224 PolarHBondContact O-N 3.27Å; D224-R254 IonicContact OD1-NH1 3.88Å
225M98Very high98.4Very high0 Ų020.8 Ų20.80%010%0.1CC..  trans-105.9148.5178-55.8-170.4-67.300111.5L136 L175 P191 R192 A220 Y223 R254L136-M225 HydrophobicContact CD1-CE 4.2Å; L136-M225 HydrophobicContact CD1-SD 3.66Å; L175-M225 HydrophobicContact CD1-CE 3.82Å; L175-M225 HydrophobicContact CD2-CE 4.03Å; L175-M225 HydrophobicContact CD2-SD 3.85Å; P191-M225 HydrophobicContact CB-SD 4.36Å; P191-M225 HydrophobicContact CG-SD 4.11Å; P191-M225 WeakPolarHBondContact O-CG 3.46Å; R192-M225 WeakPolarHBondContact O-CA 3.46Å; A220-M225 HydrophobicContact CB-CB 4.21Å; A220-M225 HydrophobicContact CB-CE 4.26Å; A220-M225 PolarHBondContact O-N 2.85Å; Y223-M225 PolarHBondContact O-N 2.98Å; M225-R254 PolarHBondContact O-NH1 3.05Å
226L98.9Very high98.4Very high0 Ų018.8 Ų18.80%09%0.09CC..EExtended strand (participates in β ladder)trans-80.9147160-63.3177.1000109.7M1 F6 L128 R192 I193 L194 R254 I256 L280M1-L226 HydrophobicContact CE-CD2 3.74Å; F6-L226 HydrophobicContact CB-CD1 3.79Å; F6-L226 HydrophobicContact CD1-CD1 3.69Å; F6-L226 HydrophobicContact CD1-CG 3.65Å; F6-L226 HydrophobicContact CD2-CD1 4.15Å; F6-L226 HydrophobicContact CD2-CD2 4.42Å; F6-L226 HydrophobicContact CD2-CG 4.22Å; F6-L226 HydrophobicContact CE1-CD1 4.3Å; F6-L226 HydrophobicContact CE1-CD2 4.5Å; F6-L226 HydrophobicContact CE1-CG 3.74Å; F6-L226 HydrophobicContact CE2-CD2 4.29Å; F6-L226 HydrophobicContact CE2-CG 4.28Å; F6-L226 HydrophobicContact CG-CD1 3.61Å; F6-L226 HydrophobicContact CG-CG 3.91Å; F6-L226 HydrophobicContact CZ-CD2 4.33Å; F6-L226 HydrophobicContact CZ-CG 4.05Å; L128-L226 HydrophobicContact CD1-CD1 4.02Å; L128-L226 HydrophobicContact CD2-CD1 3.83Å; R192-L226 PolarHBondContact O-N 2.91Å; I193-L226 WeakPolarHBondContact CA-O 3.41Å; L194-L226 PolarHBondContact N-O 3.19Å; L226-R254 WeakPolarHBondContact CA-O 3.39Å; L226-R254 HydrophobicContact CD2-CB 4.09Å; L226-I256 HydrophobicContact CD1-CD1 4.33Å; L226-L280 HydrophobicContact CD1-CD1 3.79Å; L226-L280 HydrophobicContact CD2-CD1 4.15Å
227I98.9Very high98.4Very high0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-111.4123.6168.5-54.2174.9000108L194 V216 Y217 A220 F246 R254 I255 I256L194-I227 HydrophobicContact CB-CG1 4.39Å; L194-I227 HydrophobicContact CD2-CG1 4.25Å; L194-I227 HydrophobicContact CD2-CG2 4.5Å; L194-I227 CarbonylContact O-C 3.51Å; L194-I227 WeakPolarHBondContact O-CA 3.28Å; V216-I227 HydrophobicContact CG1-CD1 4.17Å; Y217-I227 HydrophobicContact CD2-CD1 4.27Å; A220-I227 HydrophobicContact CB-CD1 3.69Å; A220-I227 HydrophobicContact CB-CG1 3.79Å; I227-F246 HydrophobicContact CD1-CD1 3.8Å; I227-F246 HydrophobicContact CD1-CE1 3.77Å; I227-F246 HydrophobicContact CD1-CZ 4.48Å; I227-F246 HydrophobicContact CG2-CD2 4.3Å; I227-F246 HydrophobicContact CG2-CE2 4.43Å; I227-F246 HydrophobicContact CG2-CG 4.39Å; I227-R254 PolarHBondContact N-O 3.12Å; I227-I255 HydrophobicContact CB-CD1 3.57Å; I227-I255 HydrophobicContact CD1-CD1 3.84Å; I227-I255 HydrophobicContact CG1-CD1 4.03Å; I227-I255 HydrophobicContact CG2-CD1 4.29Å; I227-I255 WeakPolarHBondContact O-CA 3.41Å; I227-I256 PolarHBondContact O-N 3.01Å
228I98.9Very high98.4Very high0 Ų019.4 Ų19.40%09%0.093CC..EExtended strand (participates in β ladder)trans-92.3104.5170-56.3170.8000106.9L121 I124 F125 L128 I193 L194 Y195 T196 D230 I256L121-I228 HydrophobicContact CD1-CG2 3.54Å; I124-I228 HydrophobicContact CG2-CD1 3.49Å; I124-I228 VanDerWaalsContact CG2-CD1 3.49Å; I124-I228 HydrophobicContact CG2-CG1 3.89Å; I124-I228 HydrophobicContact CG2-CG2 4.48Å; F125-I228 HydrophobicContact CD1-CD1 3.83Å; F125-I228 HydrophobicContact CE1-CD1 3.59Å; L128-I228 HydrophobicContact CD1-CD1 4.24Å; I193-I228 HydrophobicContact CG2-CD1 3.31Å; I193-I228 HydrophobicContact CG2-CG1 3.83Å; L194-I228 PolarHBondContact O-N 2.91Å; Y195-I228 HydrophobicContact CD2-CB 4.26Å; Y195-I228 HydrophobicContact CD2-CG2 3.98Å; T196-I228 PolarHBondContact N-O 2.87Å; T196-I228 VanDerWaalsContact N-O 3.16Å; I228-D230 PolarHBondContact O-N 3.29Å; I228-I256 CarbonylContact C-O 3.48Å; I228-I256 WeakPolarHBondContact CA-O 3.41Å
229E98.9Very high98.1Very high0 Ų019.1 Ų19.10%09%0.093CC..EExtended strand (participates in β ladder)trans-91.393.5179-173.4-178.3-141.800109.1P198 D231 T245 F246 I255 I256 R257 T258P198-E229 HydrophobicContact CG-CG 3.73Å; E229-D231 HydrophobicContact CG-CB 4.41Å; E229-D231 PolarHBondContact O-N 3.09Å; E229-T245 WeakPolarHBondContact OE1-CA 3.47Å; E229-T245 WeakPolarHBondContact OE1-CB 3.4Å; E229-F246 HydrophobicContact CB-CD2 4.47Å; E229-F246 HydrophobicContact CG-CD2 4.09Å; E229-F246 PolarHBondContact OE1-N 3.44Å; E229-I255 HydrophobicContact CB-CG2 4.11Å; E229-I256 PolarHBondContact N-O 2.82Å; E229-R257 HydrophobicContact CB-CB 4.35Å; E229-R257 HydrophobicContact CB-CG 4.41Å; E229-R257 HydrophobicContact CG-CG 4.48Å; E229-R257 CarbonylContact O-C 3.58Å; E229-R257 WeakPolarHBondContact O-CA 3.28Å; E229-R257 IonicContact OE1-NH1 2.79Å; E229-R257 PolarHBondContact OE1-NH1 3.39Å; E229-R257 WeakPolarHBondContact OE2-CD 3.2Å; E229-R257 IonicContact OE2-CZ 2.76Å; E229-R257 IonicContact OE2-NH1 2.73Å; E229-R257 PolarHBondContact OE2-NH1 3.35Å; E229-T258 PolarHBondContact O-N 2.96Å
230D98.9Very high97.9Very high5 Ų524 Ų243%0.02711%0.114CC..EExtended strand (participates in β ladder)trans-90102.4177.7-179.927.9000110.9Y195 T196 I197 P198 I228 P232 T258Y195-D230 HydrophobicContact CD2-CB 4.32Å; Y195-D230 HydrophobicContact CE2-CB 3.41Å; Y195-D230 VanDerWaalsContact CE2-CB 3.41Å; Y195-D230 PolarHBondContact OH-OD2 2.98Å; T196-D230 PolarHBondContact O-N 3.41Å; I197-D230 WeakPolarHBondContact CA-O 3.33Å; I197-D230 HydrophobicContact CG1-CB 4.44Å; I197-D230 WeakPolarHBondContact CG2-O 3.45Å; P198-D230 WeakPolarHBondContact CD-O 3.2Å; I228-D230 PolarHBondContact O-N 3.29Å; D230-P232 WeakPolarHBondContact O-CD 3.16Å; D230-P232 WeakPolarHBondContact OD1-CD 3.46Å; D230-T258 VanDerWaalsContact CA-OG1 3.29Å; D230-T258 WeakPolarHBondContact CA-OG1 3.39Å; D230-T258 PolarHBondContact OD1-OG1 3.24Å
231D98.6Very high97.7Very high2 Ų230 Ų301%0.01115%0.153CC..  trans-124.556.2-165-158.62.3000113.4P198 N199 E229 Y233 Y234 R257 T258P198-D231 HydrophobicContact CG-CB 4.17Å; N199-D231 WeakPolarHBondContact CB-OD1 3.37Å; N199-D231 PolarHBondContact ND2-OD1 3.39Å; N199-D231 PolarHBondContact ND2-OD2 2.71Å; E229-D231 HydrophobicContact CG-CB 4.41Å; E229-D231 PolarHBondContact O-N 3.09Å; D231-Y233 PolarHBondContact O-N 3.08Å; D231-Y233 VanDerWaalsContact O-N 3.1Å; D231-Y234 PolarHBondContact O-N 3.3Å; D231-Y234 WeakPolarHBondContact OD1-CA 3.5Å; D231-Y234 PolarHBondContact OD1-N 2.88Å; D231-Y234 VanDerWaalsContact OD1-N 3.17Å; D231-Y234 WeakPolarHBondContact OD2-CB 3.49Å; D231-Y234 VanDerWaalsContact OD2-CD2 3.25Å; D231-Y234 WeakPolarHBondContact OD2-CD2 3.41Å; D231-R257 IonicContact OD2-CZ 3.57Å; D231-R257 VanDerWaalsContact OD2-CZ 3.23Å; D231-R257 IonicContact OD2-NH1 3.36Å; D231-R257 PolarHBondContact OD2-NH1 2.83Å; D231-R257 IonicContact OD2-NH2 2.63Å; D231-R257 PolarHBondContact OD2-NH2 2.8Å; D231-T258 PolarHBondContact N-O 2.83Å
232P98.6Very high97.6Very high20 Ų2028.3 Ų28.313%0.1314%0.143CC..THydrogen-bonded Turntrans-69-9.5-179.132.1-36.1000112.9D230D230-P232 WeakPolarHBondContact O-CD 3.16Å; D230-P232 WeakPolarHBondContact OD1-CD 3.46Å
233Y98.7Very high97.5Very high10 Ų1025.4 Ų25.44%0.03913%0.132CC..THydrogen-bonded Turntrans-111.89.7-178.9-54.6-65.4000113.2I197 N199 G200 N202 D231 F235 L236 K263 M355 F356I197-Y233 HydrophobicContact CG2-CD2 4.24Å; N199-Y233 WeakPolarHBondContact O-CB 3.43Å; G200-Y233 WeakPolarHBondContact O-CD2 3.26Å; N202-Y233 HydrophobicContact CB-CE2 4.16Å; D231-Y233 PolarHBondContact O-N 3.08Å; D231-Y233 VanDerWaalsContact O-N 3.1Å; Y233-F235 VanDerWaalsContact C-N 3.26Å; Y233-F235 PolarHBondContact O-N 3.47Å; Y233-L236 HydrophobicContact CD1-CD1 4.14Å; Y233-L236 CarbonylContact O-C 3.06Å; Y233-L236 WeakPolarHBondContact O-CA 3.47Å; Y233-L236 PolarHBondContact O-N 2.89Å; Y233-K263 HydrophobicContact CD1-CG 4.27Å; Y233-K263 HydrophobicContact CE1-CD 4.39Å; Y233-K263 HydrophobicContact CE1-CG 4.06Å; Y233-M355 HydrophobicContact CE1-CE 4.08Å; Y233-M355 HydrophobicContact CE1-CG 4.22Å; Y233-M355 HydrophobicContact CE1-SD 4.31Å; Y233-F356 VanDerWaalsContact OH-CE2 3.27Å; Y233-F356 WeakPolarHBondContact OH-CE2 3.26Å
234Y98.7Very high97.5Very high9 Ų927.7 Ų27.74%0.03515%0.148CC..G310 helixtrans-50.1-47.6179.2-178-105.7000112.7L94 H95 D231 L236 Q237 W242 T245L94-Y234 HydrophobicContact CD1-CE1 4.17Å; H95-Y234 AromaticContact CE1-CE1 3.83Å; H95-Y234 AromaticContact CE1-CE2 3.94Å; H95-Y234 AromaticContact CE1-CZ 3.51Å; H95-Y234 PolarHBondContact CE1-OH 2.67Å; D231-Y234 PolarHBondContact O-N 3.3Å; D231-Y234 WeakPolarHBondContact OD1-CA 3.5Å; D231-Y234 PolarHBondContact OD1-N 2.88Å; D231-Y234 VanDerWaalsContact OD1-N 3.17Å; D231-Y234 WeakPolarHBondContact OD2-CB 3.49Å; D231-Y234 VanDerWaalsContact OD2-CD2 3.25Å; D231-Y234 WeakPolarHBondContact OD2-CD2 3.41Å; Y234-L236 PolarHBondContact O-N 2.88Å; Y234-Q237 WeakPolarHBondContact O-CG 3.4Å; Y234-Q237 PolarHBondContact O-NE2 3.41Å; Y234-W242 AromaticContact CE1-CE3 3.74Å; Y234-W242 HydrophobicContact CE1-CE3 3.74Å; Y234-W242 HydrophobicContact CE1-CZ3 4.08Å; Y234-W242 AromaticContact CZ-CE3 3.95Å; Y234-T245 HydrophobicContact CD2-CG2 3.95Å; Y234-T245 HydrophobicContact CE2-CG2 3.47Å; Y234-T245 VanDerWaalsContact CE2-CG2 3.47Å
235F98.5Very high97.6Very high8 Ų826.7 Ų26.74%0.03514%0.143CC..G310 helixtrans-80.46.3179.2-64.5-61.6000114L90 L94 Y233 W242 I264 F315 I319 I323L90-F235 HydrophobicContact CD2-CZ 4.18Å; L94-F235 HydrophobicContact CD1-CE1 3.66Å; L94-F235 HydrophobicContact CD1-CZ 3.64Å; Y233-F235 VanDerWaalsContact C-N 3.26Å; Y233-F235 PolarHBondContact O-N 3.47Å; F235-W242 AromaticContact CD1-CH2 3.75Å; F235-W242 HydrophobicContact CD1-CH2 3.75Å; F235-W242 AromaticContact CD1-CZ3 3.84Å; F235-W242 HydrophobicContact CD1-CZ3 3.84Å; F235-W242 HydrophobicContact CE1-CH2 4.2Å; F235-W242 AromaticContact CE1-CZ3 3.92Å; F235-W242 HydrophobicContact CE1-CZ3 3.92Å; F235-I264 HydrophobicContact CB-CD1 4.37Å; F235-I264 HydrophobicContact CB-CG2 3.84Å; F235-I264 HydrophobicContact CD2-CD1 3.75Å; F235-I264 HydrophobicContact CE2-CD1 4.38Å; F235-I264 HydrophobicContact CG-CD1 4.23Å; F235-F315 HydrophobicContact CD2-CZ 4.43Å; F235-F315 AromaticContact CE1-CE1 3.92Å; F235-F315 HydrophobicContact CE1-CE1 3.92Å; F235-F315 HydrophobicContact CE1-CZ 4.19Å; F235-F315 HydrophobicContact CE2-CE1 4.49Å; F235-F315 HydrophobicContact CE2-CZ 4.04Å; F235-F315 AromaticContact CZ-CE1 3.91Å; F235-F315 HydrophobicContact CZ-CE1 3.91Å; F235-F315 AromaticContact CZ-CZ 3.92Å; F235-F315 HydrophobicContact CZ-CZ 3.92Å; F235-I319 HydrophobicContact CB-CD1 4.18Å; F235-I319 HydrophobicContact CB-CG1 4.44Å; F235-I319 HydrophobicContact CB-CG2 3.83Å; F235-I319 HydrophobicContact CD1-CD1 4.49Å; F235-I319 HydrophobicContact CD1-CG1 4.09Å; F235-I319 HydrophobicContact CD1-CG2 4.08Å; F235-I319 HydrophobicContact CG-CD1 4.27Å; F235-I319 HydrophobicContact CG-CG1 4.35Å; F235-I319 HydrophobicContact CG-CG2 4.35Å; F235-I319 WeakPolarHBondContact O-CG2 3.47Å; F235-I323 VanDerWaalsContact O-CG1 3.25Å; F235-I323 WeakPolarHBondContact O-CG1 3.44Å
236L98.4Very high97.6Very high1 Ų126.7 Ų26.71%0.00514%0.143CC..G310 helixtrans-113.126.6174-63.8-167.2000112Y233 Y234 K263 I264 V322 Y326 A353 G354Y233-L236 HydrophobicContact CD1-CD1 4.14Å; Y233-L236 CarbonylContact O-C 3.06Å; Y233-L236 WeakPolarHBondContact O-CA 3.47Å; Y233-L236 PolarHBondContact O-N 2.89Å; Y234-L236 PolarHBondContact O-N 2.88Å; L236-K263 HydrophobicContact CD1-CB 4.01Å; L236-I264 HydrophobicContact CD2-CG2 4.06Å; L236-V322 HydrophobicContact CD2-CG1 3.61Å; L236-Y326 HydrophobicContact CD1-CD2 4.11Å; L236-Y326 HydrophobicContact CD1-CE2 3.98Å; L236-Y326 HydrophobicContact CD1-CG 4.46Å; L236-Y326 HydrophobicContact CD2-CD2 3.61Å; L236-Y326 HydrophobicContact CD2-CE2 3.89Å; L236-Y326 HydrophobicContact CD2-CG 4.39Å; L236-A353 CarbonylContact O-C 3.56Å; L236-A353 WeakPolarHBondContact O-CA 3.42Å; L236-A353 VanDerWaalsContact O-CB 3.28Å; L236-A353 WeakPolarHBondContact O-CB 3.35Å; L236-G354 PolarHBondContact O-N 2.91Å
237Q98.6Very high97.6Very high14 Ų1426.8 Ų26.87%0.06514%0.144CC..BIsolated β-bridgetrans-76.1127.1168.2-72172.777.900110N199 Y234 E239 W242 I323 A353N199-Q237 HydrophobicContact CB-CG 4.32Å; Y234-Q237 WeakPolarHBondContact O-CG 3.4Å; Y234-Q237 PolarHBondContact O-NE2 3.41Å; Q237-E239 PolarHBondContact O-N 2.9Å; Q237-W242 HydrophobicContact CB-CG 4.32Å; Q237-I323 WeakPolarHBondContact O-CD1 3.33Å; Q237-A353 HydrophobicContact CB-CB 4.34Å; Q237-A353 HydrophobicContact CG-CB 3.87Å
238F97.7Very high97.6Very high9 Ų928.3 Ų28.34%0.03916%0.155CC..SBendtrans-78-19.7-170.6-56-41.8000114.6K327 R330 P351 S352 G354 F403F238-K327 HydrophobicContact CB-CD 4.41Å; F238-K327 HydrophobicContact CD1-CB 4.18Å; F238-R330 HydrophobicContact CD2-CG 4.35Å; F238-R330 HydrophobicContact CE2-CB 4.09Å; F238-R330 HydrophobicContact CE2-CG 3.74Å; F238-R330 HydrophobicContact CZ-CB 4.14Å; F238-R330 HydrophobicContact CZ-CG 4.26Å; F238-P351 WeakPolarHBondContact CD2-O 3.41Å; F238-P351 WeakPolarHBondContact CE2-O 3.33Å; F238-S352 VanDerWaalsContact CD2-O 3.28Å; F238-S352 WeakPolarHBondContact CD2-O 3.4Å; F238-S352 PolarHBondContact N-O 2.81Å; F238-S352 VanDerWaalsContact N-O 3.08Å; F238-G354 WeakPolarHBondContact CZ-O 3.5Å; F238-F403 HydrophobicContact CE2-CZ 4.49Å; F238-F403 HydrophobicContact CZ-CE2 4.09Å; F238-F403 AromaticContact CZ-CZ 3.97Å; F238-F403 HydrophobicContact CZ-CZ 3.97Å
239E93.6Very high97.6Very high111 Ų11130 Ų3052%0.51916%0.163SC..SBendtrans-121.4144.2-178-57-55.8151.800111.1Q237 K327Q237-E239 PolarHBondContact O-N 2.9Å; E239-K327 IonicContact OE1-NZ 2.89Å; E239-K327 PolarHBondContact OE1-NZ 2.88Å; E239-K327 IonicContact OE2-NZ 3.12Å; E239-K327 PolarHBondContact OE2-NZ 2.8Å
240K93.3Very high97.6Very high119 Ų11930.1 Ų30.152%0.51716%0.164SC..SBendtrans-106.1152.5172.2-71.9-174.9-179.2179.60110.3D320K240-D320 WeakPolarHBondContact CE-OD1 3.32Å; K240-D320 IonicContact NZ-OD1 2.79Å; K240-D320 PolarHBondContact NZ-OD1 3.47Å; K240-D320 IonicContact NZ-OD2 2.79Å; K240-D320 PolarHBondContact NZ-OD2 3.36Å
241P94.6Very high97.6Very high128 Ų12833.1 Ų33.183%0.83118%0.182SC*.SBendcis-68147.6-5.730.6-35.3000111.6
242W96.3Very high97.5Very high37 Ų3735 Ų3514%0.1419%0.192CC..PPolyproline II helixtrans-64.5149.8176.7-64.8-29.4000111.4L94 Y234 F235 Q237 L316 I319 I323L94-W242 HydrophobicContact CD2-CZ3 4.22Å; Y234-W242 AromaticContact CE1-CE3 3.74Å; Y234-W242 HydrophobicContact CE1-CE3 3.74Å; Y234-W242 HydrophobicContact CE1-CZ3 4.08Å; Y234-W242 AromaticContact CZ-CE3 3.95Å; F235-W242 AromaticContact CD1-CH2 3.75Å; F235-W242 HydrophobicContact CD1-CH2 3.75Å; F235-W242 AromaticContact CD1-CZ3 3.84Å; F235-W242 HydrophobicContact CD1-CZ3 3.84Å; F235-W242 HydrophobicContact CE1-CH2 4.2Å; F235-W242 AromaticContact CE1-CZ3 3.92Å; F235-W242 HydrophobicContact CE1-CZ3 3.92Å; Q237-W242 HydrophobicContact CB-CG 4.32Å; W242-L316 HydrophobicContact CH2-CD2 4.01Å; W242-L316 HydrophobicContact CZ3-CD2 4.21Å; W242-I319 HydrophobicContact CH2-CG2 3.84Å; W242-I319 HydrophobicContact CZ2-CG2 3.77Å; W242-I323 HydrophobicContact CZ2-CD1 3.64Å
243A94.3Very high97.5Very high25 Ų2534.1 Ų34.121%0.20719%0.186CC..PPolyproline II helixtrans-63.9136.9-18000000110.9
244P97.8Very high97.5Very high63 Ų6334.1 Ų34.141%0.40919%0.186SC..PPolyproline II helixtrans-53.4144.4171-25.433.6000111.8A210 K213 M249A210-P244 HydrophobicContact CB-CG 4.3Å; K213-P244 WeakPolarHBondContact CD-O 3.5Å; K213-P244 WeakPolarHBondContact CE-O 3.29Å; K213-P244 PolarHBondContact NZ-O 3.09Å; P244-M249 HydrophobicContact CB-CE 4.48Å
245T98.8Very high97.6Very high0 Ų033.7 Ų33.70%018%0.184CC..PPolyproline II helixtrans-89.7160.517956.30000111.1H95 E229 Y234 L247 S248H95-T245 VanDerWaalsContact CE1-CG2 3.48Å; H95-T245 WeakPolarHBondContact CE1-CG2 3.24Å; H95-T245 WeakPolarHBondContact ND1-CG2 3.3Å; H95-T245 PolarHBondContact ND1-OG1 3.01Å; E229-T245 WeakPolarHBondContact OE1-CA 3.47Å; E229-T245 WeakPolarHBondContact OE1-CB 3.4Å; Y234-T245 HydrophobicContact CD2-CG2 3.95Å; Y234-T245 HydrophobicContact CE2-CG2 3.47Å; Y234-T245 VanDerWaalsContact CE2-CG2 3.47Å; T245-L247 PolarHBondContact O-N 3.43Å; T245-S248 PolarHBondContact N-OG 2.88Å; T245-S248 PolarHBondContact O-N 2.91Å; T245-S248 PolarHBondContact O-OG 2.98Å; T245-S248 PolarHBondContact OG1-N 3.17Å; T245-S248 VanDerWaalsContact OG1-N 3.08Å
246F98.9Very high97.6Very high0 Ų033.3 Ų33.30%018%0.183CC..THydrogen-bonded Turntrans-57.7-38.5166.9-76.8-75.1000111.1T196 P198 M208 K213 V216 Y217 I227 E229 S248 M249 D250 I255T196-F246 HydrophobicContact CG2-CE2 3.94Å; P198-F246 HydrophobicContact CB-CE2 4.46Å; M208-F246 HydrophobicContact CE-CE2 4.44Å; M208-F246 HydrophobicContact CE-CZ 4.29Å; M208-F246 HydrophobicContact SD-CE2 4.13Å; M208-F246 HydrophobicContact SD-CZ 3.72Å; K213-F246 HydrophobicContact CB-CD1 4.31Å; K213-F246 HydrophobicContact CB-CE1 3.91Å; K213-F246 HydrophobicContact CB-CE2 4.47Å; K213-F246 HydrophobicContact CB-CZ 4Å; K213-F246 HydrophobicContact CD-CD2 4.42Å; K213-F246 HydrophobicContact CD-CE2 4.36Å; K213-F246 HydrophobicContact CG-CD2 4.39Å; K213-F246 HydrophobicContact CG-CE1 4.25Å; K213-F246 HydrophobicContact CG-CE2 3.91Å; K213-F246 HydrophobicContact CG-CZ 3.84Å; K213-F246 WeakPolarHBondContact O-CE1 3.48Å; V216-F246 HydrophobicContact CB-CE1 4.02Å; V216-F246 HydrophobicContact CB-CZ 4.06Å; V216-F246 HydrophobicContact CG1-CE1 3.83Å; V216-F246 HydrophobicContact CG1-CZ 3.77Å; Y217-F246 HydrophobicContact CD2-CD1 4.4Å; I227-F246 HydrophobicContact CD1-CD1 3.8Å; I227-F246 HydrophobicContact CD1-CE1 3.77Å; I227-F246 HydrophobicContact CD1-CZ 4.48Å; I227-F246 HydrophobicContact CG2-CD2 4.3Å; I227-F246 HydrophobicContact CG2-CE2 4.43Å; I227-F246 HydrophobicContact CG2-CG 4.39Å; E229-F246 HydrophobicContact CB-CD2 4.47Å; E229-F246 HydrophobicContact CG-CD2 4.09Å; E229-F246 PolarHBondContact OE1-N 3.44Å; F246-S248 VanDerWaalsContact C-N 3.28Å; F246-S248 PolarHBondContact O-N 2.89Å; F246-M249 CarbonylContact O-C 3.59Å; F246-M249 WeakPolarHBondContact O-CG 3.45Å; F246-M249 PolarHBondContact O-N 3.17Å; F246-M249 VanDerWaalsContact O-N 3.09Å; F246-D250 PolarHBondContact O-N 2.78Å; F246-I255 HydrophobicContact CB-CD1 3.66Å; F246-I255 HydrophobicContact CB-CG1 3.95Å; F246-I255 HydrophobicContact CB-CG2 4.03Å; F246-I255 HydrophobicContact CD1-CD1 4.39Å; F246-I255 HydrophobicContact CG-CD1 4.31Å
247L98.9Very high97.6Very high1 Ų133.3 Ų33.31%0.00518%0.182CC..G310 helixtrans-57.5-38.5177.2-17865.4000112.6H95 P97 T245 M249 D250 I255 T275H95-L247 HydrophobicContact CB-CD2 4.36Å; P97-L247 HydrophobicContact CB-CD1 4.17Å; P97-L247 HydrophobicContact CB-CG 4.13Å; P97-L247 HydrophobicContact CG-CD1 4.19Å; P97-L247 HydrophobicContact CG-CD2 3.95Å; P97-L247 HydrophobicContact CG-CG 3.73Å; T245-L247 PolarHBondContact O-N 3.43Å; L247-M249 PolarHBondContact O-N 2.99Å; L247-D250 WeakPolarHBondContact O-CB 3.46Å; L247-D250 PolarHBondContact O-N 3.16Å; L247-I255 HydrophobicContact CB-CG2 4.24Å; L247-T275 HydrophobicContact CD1-CG2 4.24Å; L247-T275 HydrophobicContact CD2-CG2 3.71Å
248S98.8Very high97.6Very high33 Ų3332.6 Ų32.623%0.23118%0.179CC..G310 helixtrans-66.2-20.1178.769.70000114.6H95 T245 F246H95-S248 VanDerWaalsContact O-CA 3.24Å; H95-S248 WeakPolarHBondContact O-CA 3.38Å; H95-S248 WeakPolarHBondContact O-CB 3.39Å; T245-S248 PolarHBondContact N-OG 2.88Å; T245-S248 PolarHBondContact O-N 2.91Å; T245-S248 PolarHBondContact O-OG 2.98Å; T245-S248 PolarHBondContact OG1-N 3.17Å; T245-S248 VanDerWaalsContact OG1-N 3.08Å; F246-S248 VanDerWaalsContact C-N 3.28Å; F246-S248 PolarHBondContact O-N 2.89Å
249M98.4Very high97.7Very high36 Ų3632.3 Ų32.318%0.17718%0.178CC..G310 helixtrans-110.910.917862.8-175.276.400112.9K213 R214 Y217 P244 F246 L247 V251K213-M249 HydrophobicContact CB-CE 3.93Å; K213-M249 HydrophobicContact CB-SD 4.3Å; R214-M249 HydrophobicContact CG-CE 4.19Å; R214-M249 HydrophobicContact CG-SD 4.05Å; Y217-M249 HydrophobicContact CD2-CG 4.39Å; Y217-M249 HydrophobicContact CG-CG 4.42Å; Y217-M249 HydrophobicContact CG-SD 4.48Å; P244-M249 HydrophobicContact CB-CE 4.48Å; F246-M249 CarbonylContact O-C 3.59Å; F246-M249 WeakPolarHBondContact O-CG 3.45Å; F246-M249 PolarHBondContact O-N 3.17Å; F246-M249 VanDerWaalsContact O-N 3.09Å; L247-M249 PolarHBondContact O-N 2.99Å; M249-V251 PolarHBondContact O-N 3.19Å
250D98.8Very high97.9Very high2 Ų227.4 Ų27.41%0.01116%0.156CC..  trans-78.280.8-175.2-168.318.3000112.9T99 Y217 F246 L247 D252 G253 R254 I255T99-D250 WeakPolarHBondContact CG2-O 3.4Å; Y217-D250 WeakPolarHBondContact OH-CA 3.41Å; Y217-D250 PolarHBondContact OH-OD1 3.09Å; F246-D250 PolarHBondContact O-N 2.78Å; L247-D250 WeakPolarHBondContact O-CB 3.46Å; L247-D250 PolarHBondContact O-N 3.16Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 PolarHBondContact OD1-N 3.06Å; D250-G253 WeakPolarHBondContact OD1-CA 3.47Å; D250-G253 PolarHBondContact OD1-N 2.92Å; D250-G253 VanDerWaalsContact OD2-C 3.27Å; D250-G253 WeakPolarHBondContact OD2-CA 3.21Å; D250-R254 VanDerWaalsContact CG-N 3.28Å; D250-R254 PolarHBondContact OD1-N 3.26Å; D250-R254 PolarHBondContact OD2-N 2.98Å; D250-I255 HydrophobicContact CB-CB 4.1Å; D250-I255 HydrophobicContact CB-CG1 3.55Å; D250-I255 VanDerWaalsContact CG-CG1 3.43Å; D250-I255 WeakPolarHBondContact OD2-CB 3.29Å; D250-I255 PolarHBondContact OD2-N 2.87Å
251V98.6Very high98.2Very high67 Ų6721.9 Ų21.941%0.40613%0.132SC..SBendtrans-77.5-17.9176.1-620000113.3P98 Y102 Y217 M249P98-V251 HydrophobicContact CB-CG1 4.16Å; P98-V251 HydrophobicContact CG-CG1 4Å; Y102-V251 PolarHBondContact OH-O 3.26Å; Y217-V251 HydrophobicContact CE1-CG2 4.05Å; Y217-V251 PolarHBondContact OH-N 2.99Å; M249-V251 PolarHBondContact O-N 3.19Å
252D98.4Very high98.3Very high43 Ų4316.6 Ų16.623%0.2310%0.098CC..SBendtrans-98.5-16-176.9-65.4-28.5000113.7M1 Y217 Q221 D250 R254M1-D252 HydrophobicContact CG-CB 4.35Å; M1-D252 WeakPolarHBondContact CG-O 3.31Å; M1-D252 HydrophobicContact SD-CB 4.29Å; Y217-D252 PolarHBondContact OH-N 2.69Å; Y217-D252 VanDerWaalsContact OH-N 3.08Å; Q221-D252 VanDerWaalsContact CG-OD2 3.24Å; Q221-D252 WeakPolarHBondContact CG-OD2 3.35Å; Q221-D252 PolarHBondContact NE2-OD2 2.72Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 PolarHBondContact OD1-N 3.06Å; D252-R254 HydrophobicContact CB-CB 4.44Å; D252-R254 HydrophobicContact CB-CG 4.28Å; D252-R254 IonicContact OD2-CZ 3.44Å; D252-R254 VanDerWaalsContact OD2-CZ 3.29Å; D252-R254 IonicContact OD2-NE 2.87Å; D252-R254 PolarHBondContact OD2-NE 3.3Å; D252-R254 IonicContact OD2-NH2 3.3Å; D252-R254 PolarHBondContact OD2-NH2 2.62Å
253G98.5Very high98.4Very high0 Ų018 Ų180%011%0.105CC..SBendtrans71.745.3-168.200000111.6M1 Y3 D250 P277M1-G253 WeakPolarHBondContact CE-O 3.48Å; Y3-G253 VanDerWaalsContact CE1-O 3.26Å; Y3-G253 WeakPolarHBondContact CE1-O 3.44Å; Y3-G253 PolarHBondContact OH-O 3.48Å; D250-G253 WeakPolarHBondContact OD1-CA 3.47Å; D250-G253 PolarHBondContact OD1-N 2.92Å; D250-G253 VanDerWaalsContact OD2-C 3.27Å; D250-G253 WeakPolarHBondContact OD2-CA 3.21Å; G253-P277 WeakPolarHBondContact O-CG 3.41Å
254R98.7Very high98.6Very high10 Ų1017.5 Ų17.54%0.03810%0.099CC..  trans-110.51.9-178.969.8173.665.3-109.70.5114.7M1 Y217 A220 D224 M225 L226 I227 D250 D252M1-R254 HydrophobicContact CE-CB 3.62Å; M1-R254 HydrophobicContact SD-CB 3.83Å; Y217-R254 HydrophobicContact CE2-CG 3.65Å; A220-R254 PolarHBondContact O-NH1 2.95Å; D224-R254 IonicContact OD1-NH1 3.88Å; M225-R254 PolarHBondContact O-NH1 3.05Å; L226-R254 WeakPolarHBondContact CA-O 3.39Å; L226-R254 HydrophobicContact CD2-CB 4.09Å; I227-R254 PolarHBondContact N-O 3.12Å; D250-R254 VanDerWaalsContact CG-N 3.28Å; D250-R254 PolarHBondContact OD1-N 3.26Å; D250-R254 PolarHBondContact OD2-N 2.98Å; D252-R254 HydrophobicContact CB-CB 4.44Å; D252-R254 HydrophobicContact CB-CG 4.28Å; D252-R254 IonicContact OD2-CZ 3.44Å; D252-R254 VanDerWaalsContact OD2-CZ 3.29Å; D252-R254 IonicContact OD2-NE 2.87Å; D252-R254 PolarHBondContact OD2-NE 3.3Å; D252-R254 IonicContact OD2-NH2 3.3Å; D252-R254 PolarHBondContact OD2-NH2 2.62Å
255I98.9Very high98.6Very high0 Ų016.7 Ų16.70%09%0.091CC..EExtended strand (participates in β ladder)trans-99.7124.5-179.5-54-54.7000110.5Y217 I227 E229 F246 L247 D250 R257 G276 P277Y217-I255 HydrophobicContact CD2-CD1 4.04Å; Y217-I255 HydrophobicContact CE2-CD1 3.92Å; Y217-I255 HydrophobicContact CE2-CG1 4.14Å; I227-I255 HydrophobicContact CB-CD1 3.57Å; I227-I255 HydrophobicContact CD1-CD1 3.84Å; I227-I255 HydrophobicContact CG1-CD1 4.03Å; I227-I255 HydrophobicContact CG2-CD1 4.29Å; I227-I255 WeakPolarHBondContact O-CA 3.41Å; E229-I255 HydrophobicContact CB-CG2 4.11Å; F246-I255 HydrophobicContact CB-CD1 3.66Å; F246-I255 HydrophobicContact CB-CG1 3.95Å; F246-I255 HydrophobicContact CB-CG2 4.03Å; F246-I255 HydrophobicContact CD1-CD1 4.39Å; F246-I255 HydrophobicContact CG-CD1 4.31Å; L247-I255 HydrophobicContact CB-CG2 4.24Å; D250-I255 HydrophobicContact CB-CB 4.1Å; D250-I255 HydrophobicContact CB-CG1 3.55Å; D250-I255 VanDerWaalsContact CG-CG1 3.43Å; D250-I255 WeakPolarHBondContact OD2-CB 3.29Å; D250-I255 PolarHBondContact OD2-N 2.87Å; I255-R257 HydrophobicContact CG2-CB 4.43Å; I255-G276 WeakPolarHBondContact O-CA 3.5Å; I255-P277 WeakPolarHBondContact O-CD 3.25Å
256I98.9Very high98.5Very high1 Ų118.7 Ų18.71%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-109.1108.8164.8-47175000107.2I124 M127 L128 L226 I227 I228 E229 V274 L280I124-I256 HydrophobicContact CD1-CB 4.46Å; I124-I256 HydrophobicContact CD1-CG2 3.43Å; I124-I256 VanDerWaalsContact CD1-CG2 3.43Å; I124-I256 HydrophobicContact CG1-CG2 3.96Å; I124-I256 HydrophobicContact CG2-CD1 3.99Å; M127-I256 HydrophobicContact CE-CD1 3.84Å; L128-I256 HydrophobicContact CD1-CD1 4.03Å; L226-I256 HydrophobicContact CD1-CD1 4.33Å; I227-I256 PolarHBondContact O-N 3.01Å; I228-I256 CarbonylContact C-O 3.48Å; I228-I256 WeakPolarHBondContact CA-O 3.41Å; E229-I256 PolarHBondContact N-O 2.82Å; I256-V274 HydrophobicContact CG2-CG1 3.57Å; I256-L280 HydrophobicContact CD1-CB 4.43Å; I256-L280 HydrophobicContact CD1-CD1 3.69Å; I256-L280 HydrophobicContact CG1-CD1 3.99Å
257R98.9Very high98.5Very high0 Ų021.9 Ų21.90%013%0.127CC..EExtended strand (participates in β ladder)trans-98136.5-178.1-179.2-178.3173.3786.6110.6E229 D231 I255 D259 V274 T275E229-R257 HydrophobicContact CB-CB 4.35Å; E229-R257 HydrophobicContact CB-CG 4.41Å; E229-R257 HydrophobicContact CG-CG 4.48Å; E229-R257 CarbonylContact O-C 3.58Å; E229-R257 WeakPolarHBondContact O-CA 3.28Å; E229-R257 IonicContact OE1-NH1 2.79Å; E229-R257 PolarHBondContact OE1-NH1 3.39Å; E229-R257 WeakPolarHBondContact OE2-CD 3.2Å; E229-R257 IonicContact OE2-CZ 2.76Å; E229-R257 IonicContact OE2-NH1 2.73Å; E229-R257 PolarHBondContact OE2-NH1 3.35Å; D231-R257 IonicContact OD2-CZ 3.57Å; D231-R257 VanDerWaalsContact OD2-CZ 3.23Å; D231-R257 IonicContact OD2-NH1 3.36Å; D231-R257 PolarHBondContact OD2-NH1 2.83Å; D231-R257 IonicContact OD2-NH2 2.63Å; D231-R257 PolarHBondContact OD2-NH2 2.8Å; I255-R257 HydrophobicContact CG2-CB 4.43Å; R257-D259 VanDerWaalsContact CD-OD2 3.29Å; R257-D259 WeakPolarHBondContact CD-OD2 3.44Å; R257-D259 WeakPolarHBondContact CG-OD2 3.42Å; R257-D259 IonicContact CZ-OD1 3.48Å; R257-D259 VanDerWaalsContact CZ-OD1 3.26Å; R257-D259 IonicContact CZ-OD2 2.69Å; R257-D259 VanDerWaalsContact NE-CG 3.28Å; R257-D259 IonicContact NE-OD1 3.53Å; R257-D259 PolarHBondContact NE-OD1 3.49Å; R257-D259 IonicContact NE-OD2 3.29Å; R257-D259 PolarHBondContact NE-OD2 3.2Å; R257-D259 IonicContact NH2-OD1 3.95Å; R257-D259 PolarHBondContact NH2-OD1 3.01Å; R257-V274 CarbonylContact O-C 3.28Å; R257-V274 WeakPolarHBondContact O-CA 3.06Å; R257-T275 PolarHBondContact N-O 3.44Å; R257-T275 PolarHBondContact O-N 3.02Å
258T98.9Very high98.5Very high0 Ų024.5 Ų24.50%016%0.155CC..EExtended strand (participates in β ladder)trans-112.6125.3168.6580000110.9I124 E229 D230 D231 V274I124-T258 HydrophobicContact CD1-CG2 3.67Å; E229-T258 PolarHBondContact O-N 2.96Å; D230-T258 VanDerWaalsContact CA-OG1 3.29Å; D230-T258 WeakPolarHBondContact CA-OG1 3.39Å; D230-T258 PolarHBondContact OD1-OG1 3.24Å; D231-T258 PolarHBondContact N-O 2.83Å; T258-V274 HydrophobicContact CG2-CG2 4.18Å
259D98.9Very high98.4Very high2 Ų225 Ų251%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-115.7155.1178.8-72.8-79.4000110.4S117 R257 G272 F273S117-D259 WeakPolarHBondContact CB-O 3.31Å; R257-D259 VanDerWaalsContact CD-OD2 3.29Å; R257-D259 WeakPolarHBondContact CD-OD2 3.44Å; R257-D259 WeakPolarHBondContact CG-OD2 3.42Å; R257-D259 IonicContact CZ-OD1 3.48Å; R257-D259 VanDerWaalsContact CZ-OD1 3.26Å; R257-D259 IonicContact CZ-OD2 2.69Å; R257-D259 VanDerWaalsContact NE-CG 3.28Å; R257-D259 IonicContact NE-OD1 3.53Å; R257-D259 PolarHBondContact NE-OD1 3.49Å; R257-D259 IonicContact NE-OD2 3.29Å; R257-D259 PolarHBondContact NE-OD2 3.2Å; R257-D259 IonicContact NH2-OD1 3.95Å; R257-D259 PolarHBondContact NH2-OD1 3.01Å; D259-G272 WeakPolarHBondContact O-CA 3.43Å; D259-F273 HydrophobicContact CB-CD1 3.98Å; D259-F273 HydrophobicContact CB-CD2 3.78Å; D259-F273 HydrophobicContact CB-CE1 3.5Å; D259-F273 HydrophobicContact CB-CE2 3.3Å; D259-F273 HydrophobicContact CB-CG 4.11Å; D259-F273 HydrophobicContact CB-CZ 3.15Å; D259-F273 PolarHBondContact N-O 3.21Å; D259-F273 PolarHBondContact O-N 3.47Å; D259-F273 VanDerWaalsContact OD2-CE2 3.29Å; D259-F273 WeakPolarHBondContact OD2-CE2 3.44Å
260S98.6Very high98.5Very high8 Ų828 Ų286%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-141.2131.9-173.4-161.70000112.7S262S260-S262 VanDerWaalsContact OG-CB 3.23Å; S260-S262 WeakPolarHBondContact OG-CB 3.39Å; S260-S262 PolarHBondContact OG-N 3.45Å; S260-S262 PolarHBondContact OG-OG 3.39Å
261F98.6Very high98.5Very high3 Ų328 Ų281%0.01316%0.164CC..SBendtrans-84.61.8166.4-65.8-40.9000112.9M87 K263 I264 L265 S266 I271 F273 V303 L307 F315M87-F261 HydrophobicContact CG-CZ 4.4Å; M87-F261 HydrophobicContact SD-CE2 3.98Å; M87-F261 HydrophobicContact SD-CZ 4.13Å; F261-K263 VanDerWaalsContact C-N 3.25Å; F261-K263 PolarHBondContact O-N 2.99Å; F261-I264 HydrophobicContact CD1-CD1 3.9Å; F261-I264 HydrophobicContact CD1-CG1 4.36Å; F261-I264 HydrophobicContact CE1-CD1 4.48Å; F261-I264 PolarHBondContact O-N 3.11Å; F261-L265 HydrophobicContact CB-CB 4.17Å; F261-L265 HydrophobicContact CB-CD1 4.02Å; F261-L265 HydrophobicContact CB-CG 4.29Å; F261-L265 HydrophobicContact CD1-CD1 3.9Å; F261-L265 HydrophobicContact CD1-CG 4.46Å; F261-L265 HydrophobicContact CD2-CD1 4.27Å; F261-L265 HydrophobicContact CE1-CD1 4.43Å; F261-L265 HydrophobicContact CG-CD1 3.82Å; F261-L265 HydrophobicContact CG-CG 4.49Å; F261-L265 PolarHBondContact O-N 3.48Å; F261-S266 PolarHBondContact O-N 3.22Å; F261-I271 HydrophobicContact CD2-CB 4.28Å; F261-I271 HydrophobicContact CD2-CG2 3.74Å; F261-I271 HydrophobicContact CE2-CG2 4.22Å; F261-I271 PolarHBondContact N-O 2.9Å; F261-F273 HydrophobicContact CE1-CE1 4.1Å; F261-F273 HydrophobicContact CE2-CD1 4.41Å; F261-F273 HydrophobicContact CE2-CE1 4.23Å; F261-F273 HydrophobicContact CZ-CD1 4.43Å; F261-F273 AromaticContact CZ-CE1 3.83Å; F261-F273 HydrophobicContact CZ-CE1 3.83Å; F261-V303 HydrophobicContact CD2-CG1 4.2Å; F261-V303 HydrophobicContact CE2-CG1 4.12Å; F261-L307 HydrophobicContact CE2-CD1 4.27Å; F261-L307 HydrophobicContact CZ-CD1 4.05Å; F261-F315 HydrophobicContact CE1-CE2 4.35Å; F261-F315 HydrophobicContact CE1-CZ 4.44Å
262S98.4Very high98.5Very high17 Ų1724.9 Ų24.912%0.11915%0.145CC..THydrogen-bonded Turntrans-65.6-24.3-171.6-61.80000114.5S260 S267S260-S262 VanDerWaalsContact OG-CB 3.23Å; S260-S262 WeakPolarHBondContact OG-CB 3.39Å; S260-S262 PolarHBondContact OG-N 3.45Å; S260-S262 PolarHBondContact OG-OG 3.39Å; S262-S267 PolarHBondContact O-N 3.48Å
263K98.3Very high98.5Very high68 Ų6822.8 Ų22.830%0.29613%0.134SC..THydrogen-bonded Turntrans-105.4-9.6-175.1-52.3-54174.5-164.90113.8Y233 L236 F261 M355Y233-K263 HydrophobicContact CD1-CG 4.27Å; Y233-K263 HydrophobicContact CE1-CD 4.39Å; Y233-K263 HydrophobicContact CE1-CG 4.06Å; L236-K263 HydrophobicContact CD1-CB 4.01Å; F261-K263 VanDerWaalsContact C-N 3.25Å; F261-K263 PolarHBondContact O-N 2.99Å; K263-M355 HydrophobicContact CD-CE 4.05Å; K263-M355 HydrophobicContact CD-SD 4.29Å
264I97.6Very high98.5Very high13 Ų1322.8 Ų22.87%0.06713%0.134CC..THydrogen-bonded Turntrans-124.6-24.6-174.755.8152000113.8F235 L236 F261 F315 H318 I319 V322F235-I264 HydrophobicContact CB-CD1 4.37Å; F235-I264 HydrophobicContact CB-CG2 3.84Å; F235-I264 HydrophobicContact CD2-CD1 3.75Å; F235-I264 HydrophobicContact CE2-CD1 4.38Å; F235-I264 HydrophobicContact CG-CD1 4.23Å; L236-I264 HydrophobicContact CD2-CG2 4.06Å; F261-I264 HydrophobicContact CD1-CD1 3.9Å; F261-I264 HydrophobicContact CD1-CG1 4.36Å; F261-I264 HydrophobicContact CE1-CD1 4.48Å; F261-I264 PolarHBondContact O-N 3.11Å; I264-F315 HydrophobicContact CD1-CE2 3.79Å; I264-F315 HydrophobicContact CD1-CZ 3.86Å; I264-H318 PolarHBondContact O-NE2 2.91Å; I264-I319 HydrophobicContact CB-CD1 3.9Å; I264-I319 HydrophobicContact CD1-CD1 3.35Å; I264-I319 HydrophobicContact CG1-CD1 4.26Å; I264-I319 HydrophobicContact CG2-CD1 4.05Å; I264-V322 HydrophobicContact CG2-CG1 4.27Å
265L97.3Very high98.5Very high47 Ų4722.3 Ų22.325%0.24613%0.132CC..THydrogen-bonded Turntrans-121-67.5176.4-58.9179.4000111.1F261 V303 L306 L307 W310F261-L265 HydrophobicContact CB-CB 4.17Å; F261-L265 HydrophobicContact CB-CD1 4.02Å; F261-L265 HydrophobicContact CB-CG 4.29Å; F261-L265 HydrophobicContact CD1-CD1 3.9Å; F261-L265 HydrophobicContact CD1-CG 4.46Å; F261-L265 HydrophobicContact CD2-CD1 4.27Å; F261-L265 HydrophobicContact CE1-CD1 4.43Å; F261-L265 HydrophobicContact CG-CD1 3.82Å; F261-L265 HydrophobicContact CG-CG 4.49Å; F261-L265 PolarHBondContact O-N 3.48Å; L265-V303 HydrophobicContact CD1-CG1 4.21Å; L265-L306 HydrophobicContact CD2-CD2 4.42Å; L265-L307 HydrophobicContact CD1-CD2 4.4Å; L265-W310 HydrophobicContact CD2-CH2 4.31Å; L265-W310 HydrophobicContact CD2-CZ3 3.9Å
266S98.3Very high98.5Very high41 Ų4122.5 Ų22.529%0.28713%0.133SC..  trans-163.5126.5179.3-178.50000112.4F261 G268 L269F261-S266 PolarHBondContact O-N 3.22Å; S266-G268 PolarHBondContact OG-N 3.37Å; S266-L269 WeakPolarHBondContact OG-CG 3.38Å; S266-L269 PolarHBondContact OG-N 2.86Å
267S97.6Very high98.5Very high67 Ų6722.5 Ų22.547%0.46913%0.134SC..THydrogen-bonded Turntrans-73-28.1169.6570000112.6S262 R270S262-S267 PolarHBondContact O-N 3.48Å; S267-R270 WeakPolarHBondContact O-CD 3.42Å; S267-R270 PolarHBondContact O-NH1 3.33Å
268G98.4Very high98.5Very high57 Ų5724 Ų2459%0.58814%0.14SC*.THydrogen-bonded Turntrans-79-25.4-175.300000114.2S266 R270S266-G268 PolarHBondContact OG-N 3.37Å; G268-R270 PolarHBondContact O-N 2.78Å
269L98.5Very high98.5Very high44 Ų4425.2 Ų25.223%0.2315%0.148CC..THydrogen-bonded Turntrans-73.9-12.2177.4-64.2179.8000114.1S266 I271 T299 M302 V303S266-L269 WeakPolarHBondContact OG-CG 3.38Å; S266-L269 PolarHBondContact OG-N 2.86Å; L269-I271 HydrophobicContact CB-CG1 4.38Å; L269-T299 HydrophobicContact CB-CG2 4.41Å; L269-T299 HydrophobicContact CD2-CG2 3.92Å; L269-T299 PolarHBondContact O-OG1 2.87Å; L269-M302 HydrophobicContact CD1-CE 3.27Å; L269-M302 HydrophobicContact CD2-CE 3.33Å; L269-M302 HydrophobicContact CG-CE 3.92Å; L269-V303 HydrophobicContact CD1-CG2 3.97Å
270R98.6Very high98.5Very high99 Ų9925.2 Ų25.237%0.37415%0.148SC..THydrogen-bonded Turntrans54.456.1178.3-49.8-49.5-54.11431112.1T115 G116 S267 G268 T295T115-R270 CarbonylContact C-O 3.6Å; T115-R270 VanDerWaalsContact C-O 3.24Å; T115-R270 WeakPolarHBondContact CA-O 3.42Å; T115-R270 HydrophobicContact CG2-CB 3.67Å; T115-R270 HydrophobicContact CG2-CG 4.38Å; T115-R270 PolarHBondContact O-NH2 3.01Å; G116-R270 VanDerWaalsContact N-C 3.28Å; G116-R270 PolarHBondContact N-O 3.44Å; S267-R270 WeakPolarHBondContact O-CD 3.42Å; S267-R270 PolarHBondContact O-NH1 3.33Å; G268-R270 PolarHBondContact O-N 2.78Å; R270-T295 WeakPolarHBondContact O-CG2 3.43Å
271I98.7Very high98.5Very high2 Ų224.9 Ų24.91%0.0115%0.146CC..  trans-120120.6174.5-54.1-171.2000110V113 F261 L269 T295 T299 Q300 V303V113-I271 HydrophobicContact CG1-CG2 4.19Å; F261-I271 HydrophobicContact CD2-CB 4.28Å; F261-I271 HydrophobicContact CD2-CG2 3.74Å; F261-I271 HydrophobicContact CE2-CG2 4.22Å; F261-I271 PolarHBondContact N-O 2.9Å; L269-I271 HydrophobicContact CB-CG1 4.38Å; I271-T295 HydrophobicContact CG1-CG2 4.25Å; I271-T299 WeakPolarHBondContact CD1-O 3.43Å; I271-Q300 HydrophobicContact CD1-CG 4.37Å; I271-V303 HydrophobicContact CD1-CB 3.98Å; I271-V303 HydrophobicContact CD1-CG2 3.69Å
272G98.7Very high98.4Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-138.3-175.8165.100000109T114 D259T114-G272 PolarHBondContact N-O 2.77Å; T114-G272 PolarHBondContact O-N 3.11Å; D259-G272 WeakPolarHBondContact O-CA 3.43Å
273F98.8Very high98.4Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-153.6154.7175.555.4-85000111.6M87 Q91 M111 C112 D259 F261M87-F273 HydrophobicContact CE-CB 4.43Å; M87-F273 HydrophobicContact SD-CB 4.36Å; M87-F273 HydrophobicContact SD-CD1 3.59Å; M87-F273 VanDerWaalsContact SD-CD1 3.59Å; M87-F273 HydrophobicContact SD-CE1 3.97Å; M87-F273 HydrophobicContact SD-CG 3.98Å; Q91-F273 HydrophobicContact CG-CE2 4.26Å; M111-F273 HydrophobicContact CE-CD2 3.55Å; M111-F273 HydrophobicContact CE-CE2 3.97Å; M111-F273 HydrophobicContact CE-CG 4.2Å; C112-F273 CarbonylContact O-C 3.58Å; C112-F273 VanDerWaalsContact O-CA 3.22Å; C112-F273 WeakPolarHBondContact O-CA 3.23Å; C112-F273 WeakPolarHBondContact O-CB 3.41Å; D259-F273 HydrophobicContact CB-CD1 3.98Å; D259-F273 HydrophobicContact CB-CD2 3.78Å; D259-F273 HydrophobicContact CB-CE1 3.5Å; D259-F273 HydrophobicContact CB-CE2 3.3Å; D259-F273 HydrophobicContact CB-CG 4.11Å; D259-F273 HydrophobicContact CB-CZ 3.15Å; D259-F273 PolarHBondContact N-O 3.21Å; D259-F273 PolarHBondContact O-N 3.47Å; D259-F273 VanDerWaalsContact OD2-CE2 3.29Å; D259-F273 WeakPolarHBondContact OD2-CE2 3.44Å; F261-F273 HydrophobicContact CE1-CE1 4.1Å; F261-F273 HydrophobicContact CE2-CD1 4.41Å; F261-F273 HydrophobicContact CE2-CE1 4.23Å; F261-F273 HydrophobicContact CZ-CD1 4.43Å; F261-F273 AromaticContact CZ-CE1 3.83Å; F261-F273 HydrophobicContact CZ-CE1 3.83Å
274V98.9Very high98.5Very high0 Ų026.2 Ų26.20%015%0.151CC..EExtended strand (participates in β ladder)trans-105.4135171.5-178.10000108.2M111 C112 T114 I124 I256 R257 T258 I284M111-V274 VanDerWaalsContact CA-O 3.22Å; M111-V274 WeakPolarHBondContact CA-O 3.37Å; C112-V274 PolarHBondContact N-O 2.72Å; C112-V274 PolarHBondContact O-N 2.86Å; T114-V274 HydrophobicContact CG2-CG2 3.91Å; I124-V274 HydrophobicContact CD1-CG1 4.11Å; I124-V274 HydrophobicContact CD1-CG2 4.26Å; I256-V274 HydrophobicContact CG2-CG1 3.57Å; R257-V274 CarbonylContact O-C 3.28Å; R257-V274 WeakPolarHBondContact O-CA 3.06Å; T258-V274 HydrophobicContact CG2-CG2 4.18Å; V274-I284 HydrophobicContact CB-CD1 4.46Å; V274-I284 HydrophobicContact CG1-CD1 3.88Å; V274-I284 HydrophobicContact CG2-CD1 4.39Å
275T98.9Very high98.5Very high0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-118.8131.5168.2-53.50000108.8Q91 M109 D110 M111 L247 R257Q91-T275 HydrophobicContact CG-CG2 4.45Å; Q91-T275 PolarHBondContact NE2-OG1 3.47Å; M109-T275 HydrophobicContact CG-CG2 3.73Å; M109-T275 HydrophobicContact SD-CG2 4.05Å; D110-T275 WeakPolarHBondContact O-CA 3.35Å; M111-T275 HydrophobicContact CG-CG2 3.92Å; M111-T275 HydrophobicContact SD-CG2 4.49Å; L247-T275 HydrophobicContact CD1-CG2 4.24Å; L247-T275 HydrophobicContact CD2-CG2 3.71Å; R257-T275 PolarHBondContact N-O 3.44Å; R257-T275 PolarHBondContact O-N 3.02Å
276G98.8Very high98.5Very high3 Ų325.1 Ų25.13%0.03115%0.146CC..EExtended strand (participates in β ladder)trans178.3-167179.400000113.9D110 I255 K278D110-G276 PolarHBondContact N-O 3.3Å; D110-G276 PolarHBondContact O-N 3.08Å; I255-G276 WeakPolarHBondContact O-CA 3.5Å; G276-K278 PolarHBondContact O-N 3.17Å
277P98.8Very high98.5Very high2 Ų224.7 Ų24.71%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-68.1129.7-178-17.131.6000110.2Y3 G253 I255 P279 L280 V281Y3-P277 HydrophobicContact CE1-CB 3.66Å; Y3-P277 HydrophobicContact CE1-CG 3.86Å; Y3-P277 HydrophobicContact CE2-CB 4.39Å; Y3-P277 WeakPolarHBondContact OH-CB 3.36Å; G253-P277 WeakPolarHBondContact O-CG 3.41Å; I255-P277 WeakPolarHBondContact O-CD 3.25Å; P277-P279 VanDerWaalsContact C-CD 3.43Å; P277-P279 VanDerWaalsContact C-N 3.32Å; P277-P279 VanDerWaalsContact O-N 3.14Å; P277-L280 HydrophobicContact CB-CD1 4.5Å; P277-L280 HydrophobicContact CB-CG 4.48Å; P277-L280 HydrophobicContact CG-CD1 4.14Å; P277-L280 PolarHBondContact O-N 3.38Å; P277-V281 PolarHBondContact O-N 3.22Å
278K98.6Very high98.5Very high30 Ų3021.5 Ų21.513%0.1312%0.117CC..Hα-helixtrans-46.1-45.8-178.2-177.5161.9-179.156.40114.9Q104 Q108 D110 G276 L280 V281 D282Q104-K278 HydrophobicContact CB-CD 3.84Å; Q104-K278 HydrophobicContact CG-CD 3.68Å; Q108-K278 WeakPolarHBondContact O-CB 3.48Å; Q108-K278 PolarHBondContact O-N 3.08Å; D110-K278 HydrophobicContact CB-CB 3.94Å; D110-K278 HydrophobicContact CB-CG 4.21Å; D110-K278 IonicContact OD2-NZ 2.72Å; D110-K278 PolarHBondContact OD2-NZ 2.89Å; G276-K278 PolarHBondContact O-N 3.17Å; K278-L280 PolarHBondContact O-N 2.93Å; K278-L280 VanDerWaalsContact O-N 3.12Å; K278-V281 PolarHBondContact O-N 3.35Å; K278-D282 WeakPolarHBondContact CG-OD2 3.47Å; K278-D282 IonicContact NZ-OD1 2.87Å; K278-D282 PolarHBondContact NZ-OD1 3.2Å; K278-D282 IonicContact NZ-OD2 3.45Å; K278-D282 PolarHBondContact NZ-OD2 2.88Å; K278-D282 WeakPolarHBondContact O-CB 3.37Å; K278-D282 VanDerWaalsContact O-CG 3.25Å; K278-D282 PolarHBondContact O-N 3.44Å
279P98.5Very high98.3Very high27 Ų2720.2 Ų20.218%0.17510%0.095CC..Hα-helixtrans-60.1-27.2-179.9-2738.5000114.1Y3 Q104 P277 R283Y3-P279 HydrophobicContact CD2-CB 3.77Å; Y3-P279 HydrophobicContact CD2-CG 3.64Å; Y3-P279 HydrophobicContact CE2-CB 4.45Å; Y3-P279 HydrophobicContact CE2-CG 3.92Å; Y3-P279 HydrophobicContact CG-CB 4.03Å; Y3-P279 HydrophobicContact CG-CG 4.38Å; Q104-P279 WeakPolarHBondContact O-CD 3.36Å; Q104-P279 WeakPolarHBondContact O-CG 3.12Å; P277-P279 VanDerWaalsContact C-CD 3.43Å; P277-P279 VanDerWaalsContact C-N 3.32Å; P277-P279 VanDerWaalsContact O-N 3.14Å; P279-R283 WeakPolarHBondContact O-CG 3.44Å
280L98.8Very high98.1Very high1 Ų122 Ų221%0.00512%0.116CC..Hα-helixtrans-87.1-42.7176.5-56.7-177000111.3Y3 L7 M127 L226 I256 P277 K278 D282 R283 I284Y3-L280 HydrophobicContact CD1-CD1 3.8Å; Y3-L280 HydrophobicContact CD1-CD2 3.89Å; Y3-L280 HydrophobicContact CD1-CG 3.72Å; Y3-L280 HydrophobicContact CE1-CD1 4.06Å; Y3-L280 HydrophobicContact CE1-CG 4.24Å; Y3-L280 HydrophobicContact CG-CD2 4.29Å; Y3-L280 HydrophobicContact CG-CG 4.37Å; L7-L280 HydrophobicContact CD2-CD2 3.85Å; M127-L280 HydrophobicContact CE-CB 4.07Å; M127-L280 HydrophobicContact CE-CD2 4.44Å; M127-L280 HydrophobicContact SD-CB 4.26Å; M127-L280 HydrophobicContact SD-CD2 4.39Å; L226-L280 HydrophobicContact CD1-CD1 3.79Å; L226-L280 HydrophobicContact CD2-CD1 4.15Å; I256-L280 HydrophobicContact CD1-CB 4.43Å; I256-L280 HydrophobicContact CD1-CD1 3.69Å; I256-L280 HydrophobicContact CG1-CD1 3.99Å; P277-L280 HydrophobicContact CB-CD1 4.5Å; P277-L280 HydrophobicContact CB-CG 4.48Å; P277-L280 HydrophobicContact CG-CD1 4.14Å; P277-L280 PolarHBondContact O-N 3.38Å; K278-L280 PolarHBondContact O-N 2.93Å; K278-L280 VanDerWaalsContact O-N 3.12Å; L280-D282 VanDerWaalsContact C-N 3.27Å; L280-D282 PolarHBondContact O-N 3.27Å; L280-R283 WeakPolarHBondContact O-CB 3.33Å; L280-R283 PolarHBondContact O-N 3.43Å; L280-R283 VanDerWaalsContact O-N 3.09Å; L280-I284 PolarHBondContact O-N 3.24Å
281V98.8Very high98Very high2 Ų220.1 Ų20.11%0.01212%0.118CC..Hα-helixtrans-58.7-40.7175.6175.70000111D110 C112 P277 K278 R283 I284 V285D110-V281 HydrophobicContact CB-CB 4.33Å; D110-V281 HydrophobicContact CB-CG1 4.34Å; D110-V281 HydrophobicContact CB-CG2 4.43Å; C112-V281 HydrophobicContact CB-CG1 3.97Å; P277-V281 PolarHBondContact O-N 3.22Å; K278-V281 PolarHBondContact O-N 3.35Å; V281-R283 VanDerWaalsContact C-N 3.26Å; V281-R283 PolarHBondContact O-N 3.16Å; V281-I284 WeakPolarHBondContact O-CB 3.28Å; V281-I284 PolarHBondContact O-N 3.2Å; V281-I284 VanDerWaalsContact O-N 3.08Å; V281-V285 HydrophobicContact CG1-CG2 4.39Å; V281-V285 WeakPolarHBondContact O-CG2 3.19Å; V281-V285 PolarHBondContact O-N 3.09Å
282D98.1Very high97.9Very high55 Ų5523 Ų2329%0.29414%0.136SC..Hα-helixtrans-60.3-35.5177.5-72-17.1000111.9K278 L280 V285 L286K278-D282 WeakPolarHBondContact CG-OD2 3.47Å; K278-D282 IonicContact NZ-OD1 2.87Å; K278-D282 PolarHBondContact NZ-OD1 3.2Å; K278-D282 IonicContact NZ-OD2 3.45Å; K278-D282 PolarHBondContact NZ-OD2 2.88Å; K278-D282 WeakPolarHBondContact O-CB 3.37Å; K278-D282 VanDerWaalsContact O-CG 3.25Å; K278-D282 PolarHBondContact O-N 3.44Å; L280-D282 VanDerWaalsContact C-N 3.27Å; L280-D282 PolarHBondContact O-N 3.27Å; D282-V285 PolarHBondContact O-N 3.37Å; D282-L286 VanDerWaalsContact O-CG 3.26Å; D282-L286 WeakPolarHBondContact O-CG 3.45Å; D282-L286 PolarHBondContact O-N 2.88Å
283R98.6Very high97.7Very high60 Ų6026.1 Ų26.123%0.22615%0.151CC..Hα-helixtrans-66.4-38.4175.5-62.4-63.5120.5-173.2-0.7112.1L7 S11 R14 M127 P279 L280 V281 L286 H287L7-R283 HydrophobicContact CD1-CG 4.16Å; L7-R283 HydrophobicContact CD2-CG 3.94Å; S11-R283 WeakPolarHBondContact O-CD 3.43Å; S11-R283 PolarHBondContact O-NH1 2.88Å; R14-R283 PolarHBondContact O-NH1 2.67Å; M127-R283 HydrophobicContact CG-CB 4.25Å; M127-R283 HydrophobicContact SD-CB 3.59Å; M127-R283 VanDerWaalsContact SD-CB 3.59Å; M127-R283 HydrophobicContact SD-CG 4.18Å; P279-R283 WeakPolarHBondContact O-CG 3.44Å; L280-R283 WeakPolarHBondContact O-CB 3.33Å; L280-R283 PolarHBondContact O-N 3.43Å; L280-R283 VanDerWaalsContact O-N 3.09Å; V281-R283 VanDerWaalsContact C-N 3.26Å; V281-R283 PolarHBondContact O-N 3.16Å; R283-L286 PolarHBondContact O-N 3.21Å; R283-H287 PolarHBondContact O-N 3.28Å
284I98.7Very high97.6Very high1 Ų127.2 Ų27.21%0.00516%0.157CC..Hα-helixtrans-64-46.3175.8-60.7168.7000109.8K123 I124 M127 V274 L280 V281 L286 H287 I288K123-I284 HydrophobicContact CB-CG2 4.18Å; K123-I284 HydrophobicContact CD-CG2 4.22Å; I124-I284 HydrophobicContact CD1-CD1 4.27Å; I124-I284 HydrophobicContact CG1-CD1 3.58Å; I124-I284 HydrophobicContact CG1-CG1 4.35Å; M127-I284 HydrophobicContact SD-CG1 4.31Å; V274-I284 HydrophobicContact CB-CD1 4.46Å; V274-I284 HydrophobicContact CG1-CD1 3.88Å; V274-I284 HydrophobicContact CG2-CD1 4.39Å; L280-I284 PolarHBondContact O-N 3.24Å; V281-I284 WeakPolarHBondContact O-CB 3.28Å; V281-I284 PolarHBondContact O-N 3.2Å; V281-I284 VanDerWaalsContact O-N 3.08Å; I284-L286 PolarHBondContact O-N 3.37Å; I284-H287 WeakPolarHBondContact O-CB 3.26Å; I284-H287 PolarHBondContact O-N 2.82Å; I284-H287 VanDerWaalsContact O-N 3.09Å; I284-I288 HydrophobicContact CG2-CD1 3.97Å; I284-I288 WeakPolarHBondContact O-CG1 3.32Å; I284-I288 PolarHBondContact O-N 3.21Å
285V98.1Very high97.5Very high18 Ų1827.3 Ų27.311%0.10916%0.157CC..Hα-helixtrans-59.7-44.7177.1175.30000111.1N78 C112 V281 D282 H287 I288 Q289N78-V285 HydrophobicContact CB-CG1 4.49Å; N78-V285 HydrophobicContact CB-CG2 3.9Å; C112-V285 HydrophobicContact CB-CG2 4.05Å; V281-V285 HydrophobicContact CG1-CG2 4.39Å; V281-V285 WeakPolarHBondContact O-CG2 3.19Å; V281-V285 PolarHBondContact O-N 3.09Å; D282-V285 PolarHBondContact O-N 3.37Å; V285-H287 VanDerWaalsContact C-N 3.27Å; V285-H287 PolarHBondContact O-N 2.78Å; V285-I288 PolarHBondContact O-N 3.3Å; V285-I288 VanDerWaalsContact O-N 3.17Å; V285-Q289 WeakPolarHBondContact O-CG 3.36Å; V285-Q289 PolarHBondContact O-N 3.08Å
286L97.7Very high97.5Very high19 Ų1930.1 Ų30.110%0.09918%0.177CC..Hα-helixtrans-62.5-33.8175.7-69.8176.1000112.5R14 P16 D282 R283 I284R14-L286 HydrophobicContact CB-CB 4.08Å; R14-L286 HydrophobicContact CB-CD1 4.05Å; P16-L286 HydrophobicContact CB-CD2 4.26Å; P16-L286 HydrophobicContact CG-CD2 4.22Å; D282-L286 VanDerWaalsContact O-CG 3.26Å; D282-L286 WeakPolarHBondContact O-CG 3.45Å; D282-L286 PolarHBondContact O-N 2.88Å; R283-L286 PolarHBondContact O-N 3.21Å; I284-L286 PolarHBondContact O-N 3.37Å
287H98.3Very high97.5Very high31 Ų3130.2 Ų30.214%0.14418%0.176CC..Hα-helixtrans-69-45172.8-164.9176.8000111.2R14 K123 E126 R283 I284 V285 Q289 A290 S291R14-H287 VanDerWaalsContact CZ-CD2 3.42Å; R14-H287 PolarHBondContact NH1-CD2 3.36Å; R14-H287 VanDerWaalsContact NH1-CD2 3.33Å; R14-H287 PolarHBondContact NH2-CD2 3.38Å; R14-H287 PolarHBondContact NH2-CE1 3.18Å; R14-H287 VanDerWaalsContact NH2-CE1 3.3Å; R14-H287 PolarHBondContact NH2-ND1 2.72Å; R14-H287 PolarHBondContact NH2-NE2 2.98Å; R14-H287 VanDerWaalsContact NH2-NE2 3.15Å; K123-H287 HydrophobicContact CD-CB 4.28Å; K123-H287 PolarHBondContact NZ-CD2 3.28Å; E126-H287 IonicContact OE2-CE1 3.26Å; E126-H287 PolarHBondContact OE2-CE1 3.45Å; E126-H287 IonicContact OE2-ND1 2.79Å; E126-H287 PolarHBondContact OE2-ND1 2.98Å; R283-H287 PolarHBondContact O-N 3.28Å; I284-H287 WeakPolarHBondContact O-CB 3.26Å; I284-H287 PolarHBondContact O-N 2.82Å; I284-H287 VanDerWaalsContact O-N 3.09Å; V285-H287 VanDerWaalsContact C-N 3.27Å; V285-H287 PolarHBondContact O-N 2.78Å; H287-Q289 VanDerWaalsContact C-N 3.29Å; H287-Q289 PolarHBondContact O-N 2.87Å; H287-A290 PolarHBondContact O-N 3.04Å; H287-A290 VanDerWaalsContact O-N 3.09Å; H287-S291 PolarHBondContact O-N 3.43Å; H287-S291 PolarHBondContact O-OG 2.95Å
288I97.9Very high97.5Very high1 Ų132.5 Ų32.51%0.00519%0.187CC..Hα-helixtrans-57.3-42.4176.6-71.9166.1000111.3C112 T114 K123 I284 V285 A290 S291 T292 M293C112-I288 WeakPolarHBondContact SG-CD1 3.23Å; T114-I288 HydrophobicContact CG2-CD1 4.28Å; K123-I288 HydrophobicContact CD-CD1 4.36Å; K123-I288 HydrophobicContact CD-CG1 3.65Å; I284-I288 HydrophobicContact CG2-CD1 3.97Å; I284-I288 WeakPolarHBondContact O-CG1 3.32Å; I284-I288 PolarHBondContact O-N 3.21Å; V285-I288 PolarHBondContact O-N 3.3Å; V285-I288 VanDerWaalsContact O-N 3.17Å; I288-A290 PolarHBondContact O-N 3.24Å; I288-A290 VanDerWaalsContact O-N 3.09Å; I288-S291 PolarHBondContact O-N 3.38Å; I288-T292 PolarHBondContact O-N 2.88Å; I288-M293 WeakPolarHBondContact CG2-O 3.38Å; I288-M293 WeakPolarHBondContact O-CA 3.3Å; I288-M293 PolarHBondContact O-N 2.87Å
289Q94.7Very high97.5Very high30 Ų3032 Ų3214%0.1419%0.186CC..Hα-helixtrans-56.1-26.8177.5-78.31793.300114S77 V285 H287 M293S77-Q289 WeakPolarHBondContact OG-CG 3.48Å; V285-Q289 WeakPolarHBondContact O-CG 3.36Å; V285-Q289 PolarHBondContact O-N 3.08Å; H287-Q289 VanDerWaalsContact C-N 3.29Å; H287-Q289 PolarHBondContact O-N 2.87Å; Q289-M293 VanDerWaalsContact O-SD 3.32Å
290A93.6Very high97.5Very high81 Ų8130.7 Ų30.767%0.66918%0.177SC*.THydrogen-bonded Turntrans-101.8-2.6179.900000113.5H287 I288H287-A290 PolarHBondContact O-N 3.04Å; H287-A290 VanDerWaalsContact O-N 3.09Å; I288-A290 PolarHBondContact O-N 3.24Å; I288-A290 VanDerWaalsContact O-N 3.09Å
291S96.4Very high97.5Very high59 Ų5931 Ų3141%0.41318%0.179SC..THydrogen-bonded Turntrans-119-85.5179.367.60000111.9K123 H287 I288K123-S291 PolarHBondContact NZ-OG 3.24Å; H287-S291 PolarHBondContact O-N 3.43Å; H287-S291 PolarHBondContact O-OG 2.95Å; I288-S291 PolarHBondContact O-N 3.38Å
292T96.9Very high97.5Very high62 Ų6232.2 Ų32.238%0.3819%0.185SC..THydrogen-bonded Turntrans-90.3-9-170.738.50000111.9E119 I288 H294E119-T292 WeakPolarHBondContact OE1-CB 3.39Å; E119-T292 VanDerWaalsContact OE1-CG2 3.28Å; E119-T292 WeakPolarHBondContact OE1-CG2 3.45Å; E119-T292 PolarHBondContact OE1-OG1 2.82Å; I288-T292 PolarHBondContact O-N 2.88Å; T292-H294 PolarHBondContact O-N 3.19Å
293M93.5Very high97.5Very high66 Ų6629.9 Ų29.933%0.32517%0.172SC..  trans67.2-56.3-174.9-55.2-78.9-110.600112.7R20 S77 I288 Q289R20-M293 PolarHBondContact NH2-SD 3.04Å; S77-M293 WeakPolarHBondContact CA-O 3.19Å; S77-M293 WeakPolarHBondContact CB-O 3.48Å; S77-M293 PolarHBondContact OG-O 3.35Å; I288-M293 WeakPolarHBondContact CG2-O 3.38Å; I288-M293 WeakPolarHBondContact O-CA 3.3Å; I288-M293 PolarHBondContact O-N 2.87Å; Q289-M293 VanDerWaalsContact O-SD 3.32Å
294H96.4Very high97.5Very high24 Ų2427.2 Ų27.211%0.11116%0.163CC..SBendtrans-164.2162.9172.755.581.5000109.7Y74 S75 A76 T292 T297Y74-H294 VanDerWaalsContact CA-NE2 3.29Å; Y74-H294 WeakPolarHBondContact CA-NE2 3.21Å; Y74-H294 AromaticContact CD1-NE2 3.47Å; Y74-H294 WeakPolarHBondContact CD1-NE2 3.49Å; S75-H294 PolarHBondContact N-CD2 2.89Å; S75-H294 PolarHBondContact N-NE2 3.26Å; S75-H294 PolarHBondContact O-CD2 2.91Å; S75-H294 PolarHBondContact OG-ND1 2.76Å; A76-H294 WeakPolarHBondContact O-CB 3.45Å; T292-H294 PolarHBondContact O-N 3.19Å; H294-T297 PolarHBondContact CE1-OG1 3.1Å; H294-T297 VanDerWaalsContact CE1-OG1 3.3Å
295T98.4Very high97.5Very high2 Ų230.3 Ų30.31%0.01218%0.177CC..SBendtrans-63.7148.4168.4-57.40000109.8V113 T114 T115 R270 I271 T297 Q300V113-T295 HydrophobicContact CG1-CG2 4.23Å; T114-T295 WeakPolarHBondContact CA-OG1 3.38Å; T114-T295 PolarHBondContact O-OG1 3.38Å; T115-T295 PolarHBondContact N-OG1 3.41Å; T115-T295 PolarHBondContact OG1-OG1 3.25Å; R270-T295 WeakPolarHBondContact O-CG2 3.43Å; I271-T295 HydrophobicContact CG1-CG2 4.25Å; T295-T297 PolarHBondContact O-N 2.86Å; T295-T297 VanDerWaalsContact O-N 3.13Å; T295-Q300 HydrophobicContact CG2-CG 4.1Å; T295-Q300 PolarHBondContact O-NE2 3.22Å
296S98.7Very high97.5Very high58 Ų5830.6 Ų30.641%0.40618%0.178SC..  trans-46.9121.5-177.6172.10000112.6F298 T299 Q300S296-F298 VanDerWaalsContact C-N 3.25Å; S296-F298 PolarHBondContact O-N 3.3Å; S296-T299 WeakPolarHBondContact CB-OG1 3.42Å; S296-T299 PolarHBondContact O-N 2.85Å; S296-T299 PolarHBondContact O-OG1 3.08Å; S296-Q300 WeakPolarHBondContact O-CG 3.29Å; S296-Q300 PolarHBondContact O-N 3.48Å
297T98.6Very high97.6Very high5 Ų529.7 Ų29.73%0.03117%0.173CC..Hα-helixtrans-61.3-38.8-179-48.80000110.5R70 A71 Q73 S75 I80 H294 T295 Q300 L301R70-T297 WeakPolarHBondContact O-CG2 3.22Å; A71-T297 WeakPolarHBondContact O-CB 3.24Å; Q73-T297 WeakPolarHBondContact O-CB 3.4Å; Q73-T297 PolarHBondContact O-OG1 2.73Å; S75-T297 WeakPolarHBondContact CB-OG1 3.49Å; S75-T297 PolarHBondContact OG-OG1 3.09Å; I80-T297 HydrophobicContact CG2-CG2 4.13Å; H294-T297 PolarHBondContact CE1-OG1 3.1Å; H294-T297 VanDerWaalsContact CE1-OG1 3.3Å; T295-T297 PolarHBondContact O-N 2.86Å; T295-T297 VanDerWaalsContact O-N 3.13Å; T297-Q300 PolarHBondContact O-N 3.3Å; T297-L301 HydrophobicContact CG2-CD1 4.08Å; T297-L301 HydrophobicContact CG2-CG 4.45Å; T297-L301 WeakPolarHBondContact O-CB 3.47Å; T297-L301 WeakPolarHBondContact O-CG 3.5Å; T297-L301 PolarHBondContact O-N 3.03Å
298F98.8Very high97.5Very high51 Ų5132.5 Ų32.522%0.22419%0.186CC..Hα-helixtrans-59.6-49.5176.7-175.2-83.1000112.4A51 I53 F63 M68 A71 S296 L301 M302A51-F298 HydrophobicContact CB-CE2 4.29Å; A51-F298 HydrophobicContact CB-CZ 4.22Å; I53-F298 HydrophobicContact CD1-CZ 4.41Å; F63-F298 HydrophobicContact CD2-CE2 4.38Å; F63-F298 HydrophobicContact CD2-CZ 4.49Å; F63-F298 HydrophobicContact CE2-CE2 4.32Å; F63-F298 HydrophobicContact CE2-CZ 4.22Å; F63-F298 HydrophobicContact CZ-CE2 4.48Å; M68-F298 HydrophobicContact CE-CE2 3.85Å; M68-F298 HydrophobicContact SD-CD2 4.23Å; M68-F298 HydrophobicContact SD-CE2 4.05Å; A71-F298 HydrophobicContact CB-CB 4.15Å; A71-F298 HydrophobicContact CB-CD2 3.73Å; A71-F298 HydrophobicContact CB-CG 4.36Å; A71-F298 PolarHBondContact O-N 3.29Å; S296-F298 VanDerWaalsContact C-N 3.25Å; S296-F298 PolarHBondContact O-N 3.3Å; F298-L301 PolarHBondContact O-N 2.87Å; F298-M302 PolarHBondContact O-N 3.15Å
299T98.6Very high97.5Very high18 Ų1834.9 Ų34.911%0.1120%0.204CC..Hα-helixtrans-69.3-38.2-178.665.30000111.2L269 I271 S296 M302 V303L269-T299 HydrophobicContact CB-CG2 4.41Å; L269-T299 HydrophobicContact CD2-CG2 3.92Å; L269-T299 PolarHBondContact O-OG1 2.87Å; I271-T299 WeakPolarHBondContact CD1-O 3.43Å; S296-T299 WeakPolarHBondContact CB-OG1 3.42Å; S296-T299 PolarHBondContact O-N 2.85Å; S296-T299 PolarHBondContact O-OG1 3.08Å; T299-M302 PolarHBondContact O-N 2.66Å; T299-V303 PolarHBondContact O-N 2.78Å
300Q98.8Very high97.7Very high0 Ų035.1 Ų35.10%020%0.203CC..Hα-helixtrans-60.8-44.5173.8-73.4-172.776.200112.1I80 L83 V113 I271 T295 S296 T297 M302 V303 S304I80-Q300 HydrophobicContact CD1-CB 3.8Å; I80-Q300 HydrophobicContact CG1-CB 4.05Å; I80-Q300 HydrophobicContact CG2-CB 4.45Å; L83-Q300 HydrophobicContact CD2-CB 3.98Å; L83-Q300 HydrophobicContact CD2-CG 4.01Å; V113-Q300 HydrophobicContact CG1-CG 4.23Å; I271-Q300 HydrophobicContact CD1-CG 4.37Å; T295-Q300 HydrophobicContact CG2-CG 4.1Å; T295-Q300 PolarHBondContact O-NE2 3.22Å; S296-Q300 WeakPolarHBondContact O-CG 3.29Å; S296-Q300 PolarHBondContact O-N 3.48Å; T297-Q300 PolarHBondContact O-N 3.3Å; Q300-M302 VanDerWaalsContact C-N 3.35Å; Q300-V303 PolarHBondContact O-N 3.34Å; Q300-S304 WeakPolarHBondContact O-CB 3.25Å; Q300-S304 PolarHBondContact O-N 3.3Å
301L98.7Very high97.9Very high7 Ų732.5 Ų32.54%0.03718%0.184CC..Hα-helixtrans-65-39.7177.3-76.2169.3000111.8F63 R70 A71 I80 E82 T297 F298 S304 Q305F63-L301 HydrophobicContact CE1-CB 3.61Å; F63-L301 HydrophobicContact CE1-CD1 4.07Å; F63-L301 HydrophobicContact CE1-CG 4.48Å; F63-L301 HydrophobicContact CZ-CB 3.93Å; R70-L301 HydrophobicContact CG-CD1 4.33Å; A71-L301 HydrophobicContact CB-CD1 3.69Å; I80-L301 HydrophobicContact CD1-CB 4.5Å; I80-L301 HydrophobicContact CD1-CD2 3.64Å; I80-L301 HydrophobicContact CD1-CG 3.91Å; E82-L301 WeakPolarHBondContact OE1-CD2 3.47Å; T297-L301 HydrophobicContact CG2-CD1 4.08Å; T297-L301 HydrophobicContact CG2-CG 4.45Å; T297-L301 WeakPolarHBondContact O-CB 3.47Å; T297-L301 WeakPolarHBondContact O-CG 3.5Å; T297-L301 PolarHBondContact O-N 3.03Å; F298-L301 PolarHBondContact O-N 2.87Å; L301-S304 PolarHBondContact O-N 3.28Å; L301-Q305 WeakPolarHBondContact O-CB 3.47Å; L301-Q305 WeakPolarHBondContact O-CG 3.48Å; L301-Q305 PolarHBondContact O-N 2.97Å
302M98.4Very high97.9Very high29 Ų2932.3 Ų32.314%0.14318%0.176CC..Hα-helixtrans-62.6-46.9177.8-175.717462.900111.4I53 V61 F63 L269 F298 T299 Q300 L306I53-M302 HydrophobicContact CB-SD 4.42Å; I53-M302 HydrophobicContact CD1-SD 4.1Å; I53-M302 HydrophobicContact CG1-SD 4Å; I53-M302 HydrophobicContact CG2-SD 4.14Å; V61-M302 HydrophobicContact CG1-CG 4.22Å; F63-M302 HydrophobicContact CE2-CB 4.38Å; F63-M302 HydrophobicContact CZ-CB 4.11Å; L269-M302 HydrophobicContact CD1-CE 3.27Å; L269-M302 HydrophobicContact CD2-CE 3.33Å; L269-M302 HydrophobicContact CG-CE 3.92Å; F298-M302 PolarHBondContact O-N 3.15Å; T299-M302 PolarHBondContact O-N 2.66Å; Q300-M302 VanDerWaalsContact C-N 3.35Å; M302-L306 WeakPolarHBondContact O-CB 3.44Å; M302-L306 PolarHBondContact O-N 3.13Å; M302-L306 VanDerWaalsContact O-N 3.13Å
303V98.5Very high97.9Very high5 Ų535 Ų353%0.0319%0.189CC..Hα-helixtrans-67.9-39.6176.2170.30000111.2L83 F261 L265 L269 I271 T299 Q300 L306 L307L83-V303 HydrophobicContact CD1-CG1 4.26Å; F261-V303 HydrophobicContact CD2-CG1 4.2Å; F261-V303 HydrophobicContact CE2-CG1 4.12Å; L265-V303 HydrophobicContact CD1-CG1 4.21Å; L269-V303 HydrophobicContact CD1-CG2 3.97Å; I271-V303 HydrophobicContact CD1-CB 3.98Å; I271-V303 HydrophobicContact CD1-CG2 3.69Å; T299-V303 PolarHBondContact O-N 2.78Å; Q300-V303 PolarHBondContact O-N 3.34Å; V303-L306 PolarHBondContact O-N 3.32Å; V303-L307 HydrophobicContact CG1-CD1 3.59Å; V303-L307 HydrophobicContact CG1-CG 4.04Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 VanDerWaalsContact O-CG 3.22Å; V303-L307 WeakPolarHBondContact O-CG 3.22Å; V303-L307 PolarHBondContact O-N 3.06Å
304S98.6Very high98.1Very high4 Ų432.5 Ų32.53%0.02818%0.179CC..Hα-helixtrans-60-51176.5-173.50000111.8E82 Q300 L301 L306 L307 H308E82-S304 WeakPolarHBondContact CG-OG 3.4Å; Q300-S304 WeakPolarHBondContact O-CB 3.25Å; Q300-S304 PolarHBondContact O-N 3.3Å; L301-S304 PolarHBondContact O-N 3.28Å; S304-L306 VanDerWaalsContact C-N 3.3Å; S304-L306 PolarHBondContact O-N 3.39Å; S304-L307 PolarHBondContact O-N 3.16Å; S304-H308 WeakPolarHBondContact O-CB 3.29Å; S304-H308 PolarHBondContact O-N 2.89Å; S304-H308 PolarHBondContact O-ND1 3.43Å; S304-H308 PolarHBondContact OG-CE1 3.4Å; S304-H308 VanDerWaalsContact OG-CE1 3.29Å; S304-H308 PolarHBondContact OG-ND1 2.99Å
305Q98.3Very high98.2Very high66 Ų6631.3 Ų31.331%0.30817%0.174SC..Hα-helixtrans-59.9-41.8178.5-73.2-171.536.700111.6V61 T62 L301 S309V61-Q305 HydrophobicContact CG1-CB 4.15Å; V61-Q305 HydrophobicContact CG2-CB 4.26Å; T62-Q305 PolarHBondContact O-OE1 2.79Å; L301-Q305 WeakPolarHBondContact O-CB 3.47Å; L301-Q305 WeakPolarHBondContact O-CG 3.48Å; L301-Q305 PolarHBondContact O-N 2.97Å; Q305-S309 VanDerWaalsContact O-CB 3.23Å; Q305-S309 WeakPolarHBondContact O-CB 3.45Å; Q305-S309 PolarHBondContact O-N 3.29Å
306L98.4Very high98.2Very high24 Ų2433.1 Ų33.113%0.12618%0.183CC..Hα-helixtrans-58.7-52.6174.9176.863.3000111.8V55 L265 M302 V303 S304 H308 S309 W310V55-L306 HydrophobicContact CB-CD1 4.47Å; V55-L306 HydrophobicContact CG1-CD1 3.53Å; V55-L306 HydrophobicContact CG2-CD1 4.15Å; L265-L306 HydrophobicContact CD2-CD2 4.42Å; M302-L306 WeakPolarHBondContact O-CB 3.44Å; M302-L306 PolarHBondContact O-N 3.13Å; M302-L306 VanDerWaalsContact O-N 3.13Å; V303-L306 PolarHBondContact O-N 3.32Å; S304-L306 VanDerWaalsContact C-N 3.3Å; S304-L306 PolarHBondContact O-N 3.39Å; L306-H308 PolarHBondContact O-N 3.06Å; L306-S309 PolarHBondContact O-N 2.97Å; L306-W310 HydrophobicContact CD1-CD2 3.86Å; L306-W310 HydrophobicContact CD1-CE3 4.19Å; L306-W310 HydrophobicContact CD1-CG 4.44Å; L306-W310 HydrophobicContact CD1-CH2 4.09Å; L306-W310 HydrophobicContact CD1-CZ2 3.75Å; L306-W310 HydrophobicContact CD1-CZ3 4.3Å; L306-W310 HydrophobicContact CD2-CH2 4.1Å; L306-W310 HydrophobicContact CD2-CZ3 4.07Å; L306-W310 HydrophobicContact CG-CD2 4.19Å; L306-W310 HydrophobicContact CG-CE3 4.06Å; L306-W310 HydrophobicContact CG-CH2 4.3Å; L306-W310 HydrophobicContact CG-CZ2 4.43Å; L306-W310 HydrophobicContact CG-CZ3 4.12Å; L306-W310 PolarHBondContact O-N 3.39Å
307L98.3Very high98.2Very high0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-65.9-35.8-176.8-69176.5000112.6L83 W86 F261 L265 V303 S304 G311 F315L83-L307 HydrophobicContact CD1-CD1 3.87Å; W86-L307 HydrophobicContact CD2-CB 3.96Å; W86-L307 HydrophobicContact CD2-CD1 4.25Å; W86-L307 HydrophobicContact CE3-CB 4.34Å; W86-L307 HydrophobicContact CE3-CD1 3.81Å; W86-L307 HydrophobicContact CG-CB 4.4Å; W86-L307 HydrophobicContact CH2-CB 4.37Å; W86-L307 HydrophobicContact CH2-CD1 4.26Å; W86-L307 HydrophobicContact CH2-CD2 3.81Å; W86-L307 HydrophobicContact CH2-CG 4.36Å; W86-L307 HydrophobicContact CZ2-CB 3.95Å; W86-L307 HydrophobicContact CZ2-CD2 4.04Å; W86-L307 HydrophobicContact CZ2-CG 4.41Å; W86-L307 HydrophobicContact CZ3-CD1 3.81Å; W86-L307 HydrophobicContact CZ3-CD2 4.19Å; W86-L307 HydrophobicContact CZ3-CG 4.4Å; W86-L307 PolarHBondContact NE1-O 3.19Å; W86-L307 VanDerWaalsContact NE1-O 3.07Å; F261-L307 HydrophobicContact CE2-CD1 4.27Å; F261-L307 HydrophobicContact CZ-CD1 4.05Å; L265-L307 HydrophobicContact CD1-CD2 4.4Å; V303-L307 HydrophobicContact CG1-CD1 3.59Å; V303-L307 HydrophobicContact CG1-CG 4.04Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 VanDerWaalsContact O-CG 3.22Å; V303-L307 WeakPolarHBondContact O-CG 3.22Å; V303-L307 PolarHBondContact O-N 3.06Å; S304-L307 PolarHBondContact O-N 3.16Å; L307-G311 WeakPolarHBondContact O-CA 3.42Å; L307-G311 PolarHBondContact O-N 3.33Å; L307-F315 HydrophobicContact CD2-CB 4.47Å; L307-F315 HydrophobicContact CD2-CD2 3.57Å; L307-F315 HydrophobicContact CD2-CE2 4.14Å; L307-F315 HydrophobicContact CD2-CG 4.26Å
308H98.1Very high98.1Very high90 Ų9037.1 Ų37.142%0.41720%0.195SC..Hα-helixtrans-72.2-37.7174.4-72.682.4000112.1E82 W86 S304 L306 G311E82-H308 PolarHBondContact O-CE1 2.78Å; E82-H308 VanDerWaalsContact O-CE1 3.3Å; W86-H308 AromaticContact CD1-CD2 3.96Å; W86-H308 AromaticContact CD1-CE1 3.86Å; W86-H308 AromaticContact CD1-ND1 3.97Å; W86-H308 AromaticContact CD1-NE2 3.86Å; S304-H308 WeakPolarHBondContact O-CB 3.29Å; S304-H308 PolarHBondContact O-N 2.89Å; S304-H308 PolarHBondContact O-ND1 3.43Å; S304-H308 PolarHBondContact OG-CE1 3.4Å; S304-H308 VanDerWaalsContact OG-CE1 3.29Å; S304-H308 PolarHBondContact OG-ND1 2.99Å; L306-H308 PolarHBondContact O-N 3.06Å; H308-G311 PolarHBondContact O-N 3.32Å
309S97.4Very high98.1Very high52 Ų5234.7 Ų34.736%0.36418%0.184SC..Hα-helixtrans-65.2-41.8176-1790000111.8Q59 Q305 L306Q59-S309 PolarHBondContact OE1-OG 3.4Å; Q305-S309 VanDerWaalsContact O-CB 3.23Å; Q305-S309 WeakPolarHBondContact O-CB 3.45Å; Q305-S309 PolarHBondContact O-N 3.29Å; L306-S309 PolarHBondContact O-N 2.97Å
310W97.8Very high98.1Very high35 Ų3536.7 Ų36.713%0.13319%0.194CC..Hα-helixtrans-71.3-30.7174.3-79.8-12.2000113.4V55 N57 L265 L306 G314 H318V55-W310 HydrophobicContact CG1-CZ2 4.3Å; N57-W310 PolarHBondContact O-NE1 3.03Å; L265-W310 HydrophobicContact CD2-CH2 4.31Å; L265-W310 HydrophobicContact CD2-CZ3 3.9Å; L306-W310 HydrophobicContact CD1-CD2 3.86Å; L306-W310 HydrophobicContact CD1-CE3 4.19Å; L306-W310 HydrophobicContact CD1-CG 4.44Å; L306-W310 HydrophobicContact CD1-CH2 4.09Å; L306-W310 HydrophobicContact CD1-CZ2 3.75Å; L306-W310 HydrophobicContact CD1-CZ3 4.3Å; L306-W310 HydrophobicContact CD2-CH2 4.1Å; L306-W310 HydrophobicContact CD2-CZ3 4.07Å; L306-W310 HydrophobicContact CG-CD2 4.19Å; L306-W310 HydrophobicContact CG-CE3 4.06Å; L306-W310 HydrophobicContact CG-CH2 4.3Å; L306-W310 HydrophobicContact CG-CZ2 4.43Å; L306-W310 HydrophobicContact CG-CZ3 4.12Å; L306-W310 PolarHBondContact O-N 3.39Å; W310-G314 VanDerWaalsContact O-CA 3.3Å; W310-G314 WeakPolarHBondContact O-CA 3.44Å; W310-G314 PolarHBondContact O-N 3.48Å; W310-G314 VanDerWaalsContact O-N 3.1Å; W310-H318 HydrophobicContact CE3-CB 4.27Å; W310-H318 HydrophobicContact CH2-CB 3.77Å; W310-H318 AromaticContact CH2-CD2 3.84Å; W310-H318 AromaticContact CH2-CG 3.42Å; W310-H318 VanDerWaalsContact CH2-CG 3.42Å; W310-H318 AromaticContact CH2-ND1 3.59Å; W310-H318 HydrophobicContact CZ2-CB 4.38Å; W310-H318 HydrophobicContact CZ3-CB 3.7Å; W310-H318 AromaticContact CZ3-CD2 3.8Å; W310-H318 AromaticContact CZ3-CG 3.62Å
311G97.7Very high98.1Very high26 Ų2641.3 Ų41.327%0.26821%0.212SC..Hα-helixtrans61.2-175.9-162.100000111.6L307 H308 F315L307-G311 WeakPolarHBondContact O-CA 3.42Å; L307-G311 PolarHBondContact O-N 3.33Å; H308-G311 PolarHBondContact O-N 3.32Å; G311-F315 WeakPolarHBondContact O-CB 3.28Å; G311-F315 PolarHBondContact O-N 3.22Å; G311-F315 VanDerWaalsContact O-N 3.09Å
312Q97.1Very high98.1Very high54 Ų5442 Ų4225%0.25222%0.217SC..Hα-helixtrans-67-40.3179.5-172.4161.2-45.300112.2L90 D93 F315 L316L90-Q312 HydrophobicContact CD1-CG 4.18Å; D93-Q312 PolarHBondContact OD2-NE2 3.21Å; D93-Q312 PolarHBondContact OD2-OE1 2.75Å; D93-Q312 VanDerWaalsContact OD2-OE1 3.07Å; Q312-F315 WeakPolarHBondContact O-CB 3.41Å; Q312-F315 PolarHBondContact O-N 3.4Å; Q312-L316 HydrophobicContact CG-CD1 4.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.2Å; Q312-L316 PolarHBondContact O-N 3.34Å
313D97.2Very high98.1Very high120 Ų12041.3 Ų41.364%0.64221%0.213SC*.Hα-helixtrans-64.3-45.6179.1-67.1-18.8000111.9F315 L316 Q317D313-F315 VanDerWaalsContact C-N 3.31Å; D313-F315 PolarHBondContact O-N 3.29Å; D313-L316 PolarHBondContact O-N 3.24Å; D313-Q317 WeakPolarHBondContact O-CB 3.48Å; D313-Q317 VanDerWaalsContact O-CG 3.26Å; D313-Q317 WeakPolarHBondContact O-CG 3.34Å; D313-Q317 PolarHBondContact O-N 3.01Å
314G97.9Very high98.1Very high12 Ų1246.3 Ų46.312%0.12424%0.236CC..Hα-helixtrans-65-35.8176.800000112.4W310 H318W310-G314 VanDerWaalsContact O-CA 3.3Å; W310-G314 WeakPolarHBondContact O-CA 3.44Å; W310-G314 PolarHBondContact O-N 3.48Å; W310-G314 VanDerWaalsContact O-N 3.1Å; G314-H318 PolarHBondContact O-N 2.97Å
315F98.4Very high98.1Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-61.6-50.7171.5171.1-104.5000111.1W86 L90 F235 F261 I264 L307 G311 Q312 D313 Q317 H318 I319W86-F315 HydrophobicContact CH2-CB 4.11Å; W86-F315 AromaticContact CH2-CD1 3.88Å; W86-F315 HydrophobicContact CH2-CD1 3.88Å; W86-F315 HydrophobicContact CH2-CD2 4.21Å; W86-F315 HydrophobicContact CH2-CE1 4.36Å; W86-F315 AromaticContact CH2-CG 3.8Å; W86-F315 HydrophobicContact CH2-CG 3.8Å; W86-F315 HydrophobicContact CZ2-CB 4.08Å; W86-F315 HydrophobicContact CZ2-CG 4.28Å; L90-F315 HydrophobicContact CD1-CD1 4.13Å; L90-F315 HydrophobicContact CD1-CE1 4.05Å; L90-F315 HydrophobicContact CD2-CE1 3.86Å; L90-F315 HydrophobicContact CD2-CZ 4.28Å; F235-F315 HydrophobicContact CD2-CZ 4.43Å; F235-F315 AromaticContact CE1-CE1 3.92Å; F235-F315 HydrophobicContact CE1-CE1 3.92Å; F235-F315 HydrophobicContact CE1-CZ 4.19Å; F235-F315 HydrophobicContact CE2-CE1 4.49Å; F235-F315 HydrophobicContact CE2-CZ 4.04Å; F235-F315 AromaticContact CZ-CE1 3.91Å; F235-F315 HydrophobicContact CZ-CE1 3.91Å; F235-F315 AromaticContact CZ-CZ 3.92Å; F235-F315 HydrophobicContact CZ-CZ 3.92Å; F261-F315 HydrophobicContact CE1-CE2 4.35Å; F261-F315 HydrophobicContact CE1-CZ 4.44Å; I264-F315 HydrophobicContact CD1-CE2 3.79Å; I264-F315 HydrophobicContact CD1-CZ 3.86Å; L307-F315 HydrophobicContact CD2-CB 4.47Å; L307-F315 HydrophobicContact CD2-CD2 3.57Å; L307-F315 HydrophobicContact CD2-CE2 4.14Å; L307-F315 HydrophobicContact CD2-CG 4.26Å; G311-F315 WeakPolarHBondContact O-CB 3.28Å; G311-F315 PolarHBondContact O-N 3.22Å; G311-F315 VanDerWaalsContact O-N 3.09Å; Q312-F315 WeakPolarHBondContact O-CB 3.41Å; Q312-F315 PolarHBondContact O-N 3.4Å; D313-F315 VanDerWaalsContact C-N 3.31Å; D313-F315 PolarHBondContact O-N 3.29Å; F315-Q317 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.27Å; F315-H318 WeakPolarHBondContact O-CA 3.2Å; F315-H318 VanDerWaalsContact O-CB 3.3Å; F315-H318 WeakPolarHBondContact O-CB 3.15Å; F315-H318 PolarHBondContact O-N 2.79Å; F315-I319 HydrophobicContact CD1-CG1 4.33Å; F315-I319 HydrophobicContact CD2-CD1 4.39Å; F315-I319 HydrophobicContact CE1-CD1 4.36Å; F315-I319 HydrophobicContact CE1-CG1 3.94Å; F315-I319 HydrophobicContact CE2-CD1 3.78Å; F315-I319 HydrophobicContact CE2-CG1 4.18Å; F315-I319 HydrophobicContact CZ-CD1 3.76Å; F315-I319 HydrophobicContact CZ-CG1 3.86Å; F315-I319 WeakPolarHBondContact O-CG1 3.29Å; F315-I319 PolarHBondContact O-N 3.41Å
316L97.9Very high98.1Very high40 Ų4049.1 Ų49.121%0.20925%0.247CC..Hα-helixtrans-63.8-36.9179.2-68.1176.6000112.6L94 W242 Q312 D313 H318 I319 D320L94-L316 HydrophobicContact CD2-CD2 4.47Å; W242-L316 HydrophobicContact CH2-CD2 4.01Å; W242-L316 HydrophobicContact CZ3-CD2 4.21Å; Q312-L316 HydrophobicContact CG-CD1 4.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.2Å; Q312-L316 PolarHBondContact O-N 3.34Å; D313-L316 PolarHBondContact O-N 3.24Å; L316-H318 VanDerWaalsContact C-N 3.29Å; L316-H318 PolarHBondContact O-N 3.35Å; L316-I319 WeakPolarHBondContact O-CB 3.25Å; L316-I319 PolarHBondContact O-N 3.01Å; L316-D320 VanDerWaalsContact O-CG 3.32Å; L316-D320 PolarHBondContact O-N 3.11Å
317Q97.9Very high98.1Very high113 Ų11350.3 Ų50.353%0.52825%0.25SS..Hα-helixtrans-63.4-35.2171.6-71.917218.100112.3D313 F315 R321D313-Q317 WeakPolarHBondContact O-CB 3.48Å; D313-Q317 VanDerWaalsContact O-CG 3.26Å; D313-Q317 WeakPolarHBondContact O-CG 3.34Å; D313-Q317 PolarHBondContact O-N 3.01Å; F315-Q317 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.27Å; Q317-R321 WeakPolarHBondContact O-CG 3.33Å; Q317-R321 PolarHBondContact O-N 3.45Å; Q317-R321 PolarHBondContact O-NH1 2.85Å
318H98.4Very high98.1Very high33 Ų3353.6 Ų53.615%0.15327%0.271CS..Hα-helixtrans-65.2-44.5171.6177.771.2000111.6I264 W310 G314 F315 L316 D320 R321 V322I264-H318 PolarHBondContact O-NE2 2.91Å; W310-H318 HydrophobicContact CE3-CB 4.27Å; W310-H318 HydrophobicContact CH2-CB 3.77Å; W310-H318 AromaticContact CH2-CD2 3.84Å; W310-H318 AromaticContact CH2-CG 3.42Å; W310-H318 VanDerWaalsContact CH2-CG 3.42Å; W310-H318 AromaticContact CH2-ND1 3.59Å; W310-H318 HydrophobicContact CZ2-CB 4.38Å; W310-H318 HydrophobicContact CZ3-CB 3.7Å; W310-H318 AromaticContact CZ3-CD2 3.8Å; W310-H318 AromaticContact CZ3-CG 3.62Å; G314-H318 PolarHBondContact O-N 2.97Å; F315-H318 WeakPolarHBondContact O-CA 3.2Å; F315-H318 VanDerWaalsContact O-CB 3.3Å; F315-H318 WeakPolarHBondContact O-CB 3.15Å; F315-H318 PolarHBondContact O-N 2.79Å; L316-H318 VanDerWaalsContact C-N 3.29Å; L316-H318 PolarHBondContact O-N 3.35Å; H318-D320 VanDerWaalsContact C-N 3.3Å; H318-D320 PolarHBondContact O-N 2.91Å; H318-R321 PolarHBondContact O-N 3.49Å; H318-V322 WeakPolarHBondContact O-CG2 3.31Å; H318-V322 PolarHBondContact O-N 2.99Å; H318-V322 VanDerWaalsContact O-N 3.09Å
319I98.5Very high98.1Very high0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-57.6-44.3174.7-59.2-43.1000111.2F235 W242 I264 F315 L316 R321 V322 I323F235-I319 HydrophobicContact CB-CD1 4.18Å; F235-I319 HydrophobicContact CB-CG1 4.44Å; F235-I319 HydrophobicContact CB-CG2 3.83Å; F235-I319 HydrophobicContact CD1-CD1 4.49Å; F235-I319 HydrophobicContact CD1-CG1 4.09Å; F235-I319 HydrophobicContact CD1-CG2 4.08Å; F235-I319 HydrophobicContact CG-CD1 4.27Å; F235-I319 HydrophobicContact CG-CG1 4.35Å; F235-I319 HydrophobicContact CG-CG2 4.35Å; F235-I319 WeakPolarHBondContact O-CG2 3.47Å; W242-I319 HydrophobicContact CH2-CG2 3.84Å; W242-I319 HydrophobicContact CZ2-CG2 3.77Å; I264-I319 HydrophobicContact CB-CD1 3.9Å; I264-I319 HydrophobicContact CD1-CD1 3.35Å; I264-I319 HydrophobicContact CG1-CD1 4.26Å; I264-I319 HydrophobicContact CG2-CD1 4.05Å; F315-I319 HydrophobicContact CD1-CG1 4.33Å; F315-I319 HydrophobicContact CD2-CD1 4.39Å; F315-I319 HydrophobicContact CE1-CD1 4.36Å; F315-I319 HydrophobicContact CE1-CG1 3.94Å; F315-I319 HydrophobicContact CE2-CD1 3.78Å; F315-I319 HydrophobicContact CE2-CG1 4.18Å; F315-I319 HydrophobicContact CZ-CD1 3.76Å; F315-I319 HydrophobicContact CZ-CG1 3.86Å; F315-I319 WeakPolarHBondContact O-CG1 3.29Å; F315-I319 PolarHBondContact O-N 3.41Å; L316-I319 WeakPolarHBondContact O-CB 3.25Å; L316-I319 PolarHBondContact O-N 3.01Å; I319-R321 VanDerWaalsContact C-N 3.31Å; I319-R321 PolarHBondContact O-N 3.36Å; I319-V322 CarbonylContact O-C 3.15Å; I319-V322 PolarHBondContact O-N 3.37Å; I319-I323 HydrophobicContact CG2-CD1 3.64Å; I319-I323 HydrophobicContact CG2-CG1 4.11Å; I319-I323 WeakPolarHBondContact O-CG1 3.29Å; I319-I323 PolarHBondContact O-N 3.34Å
320D98.4Very high98.2Very high60 Ų6049.2 Ų49.232%0.32124%0.243SC..Hα-helixtrans-60.8-39.5179.7-71.4-12.6000112.5K240 L316 H318 V322 I323 E324K240-D320 WeakPolarHBondContact CE-OD1 3.32Å; K240-D320 IonicContact NZ-OD1 2.79Å; K240-D320 PolarHBondContact NZ-OD1 3.47Å; K240-D320 IonicContact NZ-OD2 2.79Å; K240-D320 PolarHBondContact NZ-OD2 3.36Å; L316-D320 VanDerWaalsContact O-CG 3.32Å; L316-D320 PolarHBondContact O-N 3.11Å; H318-D320 VanDerWaalsContact C-N 3.3Å; H318-D320 PolarHBondContact O-N 2.91Å; D320-V322 VanDerWaalsContact C-N 3.34Å; D320-V322 PolarHBondContact O-N 3.49Å; D320-I323 PolarHBondContact O-N 3.05Å; D320-E324 WeakPolarHBondContact O-CB 3.5Å; D320-E324 PolarHBondContact O-N 3.05Å
321R98.3Very high98.2Very high98 Ų9850.5 Ų50.537%0.3725%0.253SS..Hα-helixtrans-64.8-38.8173.8-68.7-177.2-64.7-95.16.8112.4Q317 H318 I319 F325Q317-R321 WeakPolarHBondContact O-CG 3.33Å; Q317-R321 PolarHBondContact O-N 3.45Å; Q317-R321 PolarHBondContact O-NH1 2.85Å; H318-R321 PolarHBondContact O-N 3.49Å; I319-R321 VanDerWaalsContact C-N 3.31Å; I319-R321 PolarHBondContact O-N 3.36Å; R321-F325 PolarHBondContact O-N 2.87Å
322V98.5Very high98.2Very high22 Ų2250.2 Ų50.213%0.13325%0.248CC..Hα-helixtrans-68.8-43.8177.6176.20000110.4L236 I264 H318 I319 D320 E324 F325 Y326L236-V322 HydrophobicContact CD2-CG1 3.61Å; I264-V322 HydrophobicContact CG2-CG1 4.27Å; H318-V322 WeakPolarHBondContact O-CG2 3.31Å; H318-V322 PolarHBondContact O-N 2.99Å; H318-V322 VanDerWaalsContact O-N 3.09Å; I319-V322 CarbonylContact O-C 3.15Å; I319-V322 PolarHBondContact O-N 3.37Å; D320-V322 VanDerWaalsContact C-N 3.34Å; D320-V322 PolarHBondContact O-N 3.49Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-E324 PolarHBondContact O-N 2.8Å; V322-F325 PolarHBondContact O-N 3.43Å; V322-Y326 HydrophobicContact CG1-CD2 3.71Å; V322-Y326 HydrophobicContact CG1-CE2 3.73Å; V322-Y326 WeakPolarHBondContact O-CD2 3.46Å; V322-Y326 PolarHBondContact O-N 2.81Å
323I98.6Very high98.3Very high13 Ų1348 Ų487%0.06724%0.238CC..Hα-helixtrans-58.3-47.4175.2-72.4169.7000110.4F235 Q237 W242 I319 D320 F325 Y326 K327F235-I323 VanDerWaalsContact O-CG1 3.25Å; F235-I323 WeakPolarHBondContact O-CG1 3.44Å; Q237-I323 WeakPolarHBondContact O-CD1 3.33Å; W242-I323 HydrophobicContact CZ2-CD1 3.64Å; I319-I323 HydrophobicContact CG2-CD1 3.64Å; I319-I323 HydrophobicContact CG2-CG1 4.11Å; I319-I323 WeakPolarHBondContact O-CG1 3.29Å; I319-I323 PolarHBondContact O-N 3.34Å; D320-I323 PolarHBondContact O-N 3.05Å; I323-F325 VanDerWaalsContact C-N 3.31Å; I323-F325 PolarHBondContact O-N 3.37Å; I323-Y326 PolarHBondContact O-N 2.76Å; I323-K327 VanDerWaalsContact O-CB 3.25Å; I323-K327 WeakPolarHBondContact O-CB 3.45Å; I323-K327 PolarHBondContact O-N 3.17Å
324E98.4Very high98.3Very high111 Ų11143.4 Ų43.452%0.51921%0.213SC..Hα-helixtrans-60.2-41.5-179.3-175.256.2-152.300112.2D320 V322 K327 T328D320-E324 WeakPolarHBondContact O-CB 3.5Å; D320-E324 PolarHBondContact O-N 3.05Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-E324 PolarHBondContact O-N 2.8Å; E324-K327 PolarHBondContact O-N 3.3Å; E324-T328 WeakPolarHBondContact O-CB 3.5Å; E324-T328 PolarHBondContact O-N 3.16Å; E324-T328 PolarHBondContact O-OG1 2.83Å
325F98.3Very high98.3Very high101 Ų10148 Ų4844%0.44323%0.234SC..Hα-helixtrans-59.2-53.1172.5171.2-96000111.7R321 V322 I323 K327 T328 Q329R321-F325 PolarHBondContact O-N 2.87Å; V322-F325 PolarHBondContact O-N 3.43Å; I323-F325 VanDerWaalsContact C-N 3.31Å; I323-F325 PolarHBondContact O-N 3.37Å; F325-K327 VanDerWaalsContact C-N 3.31Å; F325-K327 PolarHBondContact O-N 3.37Å; F325-T328 PolarHBondContact O-N 3.02Å; F325-Q329 HydrophobicContact CD1-CG 4.35Å; F325-Q329 HydrophobicContact CD2-CG 4.44Å; F325-Q329 HydrophobicContact CE1-CG 3.93Å; F325-Q329 HydrophobicContact CE2-CG 4.02Å; F325-Q329 HydrophobicContact CZ-CG 3.75Å; F325-Q329 VanDerWaalsContact O-CG 3.29Å; F325-Q329 WeakPolarHBondContact O-CG 3.48Å; F325-Q329 PolarHBondContact O-N 3.45Å
326Y98.7Very high98.3Very high28 Ų2848.2 Ų48.211%0.1124%0.236CC..Hα-helixtrans-67.6-31-178.2-81.7-77.5000112.9L236 V322 I323 Q329 R330 M355 F403L236-Y326 HydrophobicContact CD1-CD2 4.11Å; L236-Y326 HydrophobicContact CD1-CE2 3.98Å; L236-Y326 HydrophobicContact CD1-CG 4.46Å; L236-Y326 HydrophobicContact CD2-CD2 3.61Å; L236-Y326 HydrophobicContact CD2-CE2 3.89Å; L236-Y326 HydrophobicContact CD2-CG 4.39Å; V322-Y326 HydrophobicContact CG1-CD2 3.71Å; V322-Y326 HydrophobicContact CG1-CE2 3.73Å; V322-Y326 WeakPolarHBondContact O-CD2 3.46Å; V322-Y326 PolarHBondContact O-N 2.81Å; I323-Y326 PolarHBondContact O-N 2.76Å; Y326-Q329 PolarHBondContact O-N 2.78Å; Y326-R330 VanDerWaalsContact O-CB 3.25Å; Y326-R330 WeakPolarHBondContact O-CB 3.41Å; Y326-R330 PolarHBondContact O-N 2.93Å; Y326-M355 HydrophobicContact CD1-CB 3.92Å; Y326-M355 HydrophobicContact CE1-CB 3.59Å; Y326-M355 HydrophobicContact CE1-SD 4.33Å; Y326-F403 HydrophobicContact CD1-CD2 4.29Å; Y326-F403 HydrophobicContact CD1-CE2 4.14Å
327K98.2Very high98.2Very high48 Ų4846.3 Ų46.321%0.20923%0.226CC..Hα-helixtrans-64.4-47.5173.3-179.5167.3175.9162.10110.8F238 E239 I323 E324 F325 Q329 R330 D331F238-K327 HydrophobicContact CB-CD 4.41Å; F238-K327 HydrophobicContact CD1-CB 4.18Å; E239-K327 IonicContact OE1-NZ 2.89Å; E239-K327 PolarHBondContact OE1-NZ 2.88Å; E239-K327 IonicContact OE2-NZ 3.12Å; E239-K327 PolarHBondContact OE2-NZ 2.8Å; I323-K327 VanDerWaalsContact O-CB 3.25Å; I323-K327 WeakPolarHBondContact O-CB 3.45Å; I323-K327 PolarHBondContact O-N 3.17Å; E324-K327 PolarHBondContact O-N 3.3Å; F325-K327 VanDerWaalsContact C-N 3.31Å; F325-K327 PolarHBondContact O-N 3.37Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; K327-Q329 PolarHBondContact O-N 3.33Å; K327-R330 WeakPolarHBondContact O-CB 3.25Å; K327-R330 PolarHBondContact O-N 2.82Å; K327-D331 WeakPolarHBondContact O-CB 3.38Å; K327-D331 PolarHBondContact O-N 3.15Å
328T98.3Very high98.1Very high70 Ų7045.2 Ų45.243%0.42922%0.224SC..Hα-helixtrans-58.1-44.5174.3-60.30000111.5E324 F325 D331 A332E324-T328 WeakPolarHBondContact O-CB 3.5Å; E324-T328 PolarHBondContact O-N 3.16Å; E324-T328 PolarHBondContact O-OG1 2.83Å; F325-T328 PolarHBondContact O-N 3.02Å; T328-D331 PolarHBondContact O-N 3.5Å; T328-A332 PolarHBondContact O-N 3.08Å
329Q98.6Very high98Very high16 Ų1648.6 Ų48.68%0.07524%0.238CC..Hα-helixtrans-66.2-40.5178-69.9-70.8105.400112.7F325 Y326 K327 A332 M333 F403 S406F325-Q329 HydrophobicContact CD1-CG 4.35Å; F325-Q329 HydrophobicContact CD2-CG 4.44Å; F325-Q329 HydrophobicContact CE1-CG 3.93Å; F325-Q329 HydrophobicContact CE2-CG 4.02Å; F325-Q329 HydrophobicContact CZ-CG 3.75Å; F325-Q329 VanDerWaalsContact O-CG 3.29Å; F325-Q329 WeakPolarHBondContact O-CG 3.48Å; F325-Q329 PolarHBondContact O-N 3.45Å; Y326-Q329 PolarHBondContact O-N 2.78Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; K327-Q329 PolarHBondContact O-N 3.33Å; Q329-A332 PolarHBondContact O-N 3.48Å; Q329-M333 WeakPolarHBondContact O-CB 3.29Å; Q329-M333 PolarHBondContact O-N 3.09Å; Q329-F403 HydrophobicContact CB-CB 4.26Å; Q329-F403 HydrophobicContact CB-CD2 3.81Å; Q329-F403 HydrophobicContact CB-CG 4.48Å; Q329-F403 VanDerWaalsContact CB-O 3.31Å; Q329-F403 WeakPolarHBondContact CB-O 3.39Å; Q329-F403 PolarHBondContact NE2-O 3.04Å; Q329-S406 PolarHBondContact NE2-O 3.19Å
330R98.4Very high97.9Very high34 Ų3452 Ų5213%0.12825%0.251CS..Hα-helixtrans-61.1-46.3173.5-179.5-84-51.9-114.411.7110.6F238 Y326 K327 A332 M333 I334 P351 F403F238-R330 HydrophobicContact CD2-CG 4.35Å; F238-R330 HydrophobicContact CE2-CB 4.09Å; F238-R330 HydrophobicContact CE2-CG 3.74Å; F238-R330 HydrophobicContact CZ-CB 4.14Å; F238-R330 HydrophobicContact CZ-CG 4.26Å; Y326-R330 VanDerWaalsContact O-CB 3.25Å; Y326-R330 WeakPolarHBondContact O-CB 3.41Å; Y326-R330 PolarHBondContact O-N 2.93Å; K327-R330 WeakPolarHBondContact O-CB 3.25Å; K327-R330 PolarHBondContact O-N 2.82Å; R330-A332 VanDerWaalsContact C-N 3.35Å; R330-A332 PolarHBondContact O-N 3.44Å; R330-M333 WeakPolarHBondContact O-CB 3.1Å; R330-M333 PolarHBondContact O-N 3.28Å; R330-I334 HydrophobicContact CG-CG1 4.5Å; R330-I334 WeakPolarHBondContact O-CG1 3.35Å; R330-I334 PolarHBondContact O-N 3.05Å; R330-P351 HydrophobicContact CG-CG 3.69Å; R330-P351 PolarHBondContact NH1-O 2.77Å; R330-P351 VanDerWaalsContact NH1-O 3.16Å; R330-F403 HydrophobicContact CB-CD2 4.24Å; R330-F403 HydrophobicContact CB-CE1 4.35Å; R330-F403 HydrophobicContact CB-CE2 3.71Å; R330-F403 HydrophobicContact CB-CZ 3.77Å; R330-F403 HydrophobicContact CG-CE1 4.38Å; R330-F403 HydrophobicContact CG-CE2 4.46Å; R330-F403 HydrophobicContact CG-CZ 4.02Å
331D98.4Very high97.7Very high62 Ų6249.2 Ų49.233%0.33224%0.236SC..Hα-helixtrans-62.9-42.2-179.8-65.2-8.8000110.7K327 T328 M333 I334 N335K327-D331 WeakPolarHBondContact O-CB 3.38Å; K327-D331 PolarHBondContact O-N 3.15Å; T328-D331 PolarHBondContact O-N 3.5Å; D331-M333 PolarHBondContact O-N 2.92Å; D331-I334 PolarHBondContact O-N 3.41Å; D331-N335 WeakPolarHBondContact O-CB 3.06Å; D331-N335 PolarHBondContact O-N 3.07Å; D331-N335 PolarHBondContact O-ND2 3.34Å; D331-N335 VanDerWaalsContact O-ND2 3.11Å
332A98.4Very high96.8Very high20 Ų2050.6 Ų50.617%0.16525%0.245CC..Hα-helixtrans-60.3-44173.400000112.7T328 Q329 R330 S336 P408T328-A332 PolarHBondContact O-N 3.08Å; Q329-A332 PolarHBondContact O-N 3.48Å; R330-A332 VanDerWaalsContact C-N 3.35Å; R330-A332 PolarHBondContact O-N 3.44Å; A332-S336 WeakPolarHBondContact O-CB 3.38Å; A332-S336 PolarHBondContact O-N 2.85Å; A332-P408 HydrophobicContact CB-CB 4.11Å; A332-P408 HydrophobicContact CB-CG 4.17Å
333M98.3Very high95.4Very high7 Ų753.2 Ų53.23%0.03427%0.269CS..Hα-helixtrans-61.5-46.2176.1-174.968.677.500112.2Q329 R330 D331 S336 A337 L357 A401 A402 F403 I411 F415Q329-M333 WeakPolarHBondContact O-CB 3.29Å; Q329-M333 PolarHBondContact O-N 3.09Å; R330-M333 WeakPolarHBondContact O-CB 3.1Å; R330-M333 PolarHBondContact O-N 3.28Å; D331-M333 PolarHBondContact O-N 2.92Å; M333-S336 PolarHBondContact O-N 3.25Å; M333-A337 WeakPolarHBondContact O-CB 3.42Å; M333-A337 PolarHBondContact O-N 3.18Å; M333-L357 HydrophobicContact CG-CB 4.11Å; M333-L357 HydrophobicContact CG-CD2 3.78Å; M333-L357 HydrophobicContact SD-CD2 4.48Å; M333-A401 HydrophobicContact CE-CB 4.2Å; M333-A401 HydrophobicContact SD-CB 4.35Å; M333-A402 WeakPolarHBondContact CE-O 3.41Å; M333-F403 HydrophobicContact CB-CB 4.06Å; M333-F403 HydrophobicContact CB-CD1 4.3Å; M333-F403 HydrophobicContact CB-CG 4.44Å; M333-F403 HydrophobicContact CE-CB 3.61Å; M333-F403 HydrophobicContact CG-CB 4.37Å; M333-F403 HydrophobicContact CG-CD1 4.21Å; M333-I411 HydrophobicContact CB-CG2 4.37Å; M333-I411 HydrophobicContact CE-CD1 4.04Å; M333-I411 HydrophobicContact CE-CG1 3.93Å; M333-I411 HydrophobicContact CE-CG2 4.23Å; M333-I411 HydrophobicContact SD-CG2 3.74Å; M333-F415 HydrophobicContact CG-CE2 4.11Å; M333-F415 HydrophobicContact CG-CZ 4.21Å; M333-F415 WeakPolarHBondContact O-CE2 3.48Å; M333-F415 HydrophobicContact SD-CD2 4.31Å; M333-F415 HydrophobicContact SD-CE1 4.02Å; M333-F415 HydrophobicContact SD-CE2 3.28Å; M333-F415 WeakPolarHBondContact SD-CE2 3.33Å; M333-F415 HydrophobicContact SD-CZ 3.13Å; M333-F415 WeakPolarHBondContact SD-CZ 3.48Å
334I97.7Very high94.7Very high23 Ų2357 Ų5712%0.11829%0.289CS..Hα-helixtrans-66.6-47179.1-66-62.6000111.3R330 D331 S336 A337 D338 A350 L357R330-I334 HydrophobicContact CG-CG1 4.5Å; R330-I334 WeakPolarHBondContact O-CG1 3.35Å; R330-I334 PolarHBondContact O-N 3.05Å; D331-I334 PolarHBondContact O-N 3.41Å; I334-S336 PolarHBondContact O-N 3.22Å; I334-A337 WeakPolarHBondContact O-CB 3.4Å; I334-A337 PolarHBondContact O-N 2.98Å; I334-D338 PolarHBondContact O-N 3.18Å; I334-A350 HydrophobicContact CD1-CB 4.18Å; I334-A350 HydrophobicContact CG1-CB 4.49Å; I334-L357 HydrophobicContact CD1-CD1 3.69Å; I334-L357 HydrophobicContact CD1-CD2 4.28Å
335N97.5Very high94.4Very high108 Ų10851.8 Ų51.858%0.57827%0.265SS*.Hα-helixtrans-58.3-37.6177.9-71.6-27.7000111.8D331 K339D331-N335 WeakPolarHBondContact O-CB 3.06Å; D331-N335 PolarHBondContact O-N 3.07Å; D331-N335 PolarHBondContact O-ND2 3.34Å; D331-N335 VanDerWaalsContact O-ND2 3.11Å; N335-K339 WeakPolarHBondContact O-CB 3.35Å; N335-K339 PolarHBondContact O-N 3.41Å
336S97.9Very high94.3Very high5 Ų547.1 Ų47.14%0.03525%0.245CC..Hα-helixtrans-70.6-40.5175.2-173.70000112.8A332 M333 I334 K339 W340 D412 F415A332-S336 WeakPolarHBondContact O-CB 3.38Å; A332-S336 PolarHBondContact O-N 2.85Å; M333-S336 PolarHBondContact O-N 3.25Å; I334-S336 PolarHBondContact O-N 3.22Å; S336-K339 PolarHBondContact O-N 3.44Å; S336-W340 PolarHBondContact O-N 2.66Å; S336-D412 VanDerWaalsContact OG-CA 3.28Å; S336-D412 WeakPolarHBondContact OG-CA 3.37Å; S336-F415 WeakPolarHBondContact OG-CD2 3.32Å
337A96.9Very high94.1Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-60.9-46175.300000110.7M333 I334 K339 W340 L341 W348 L357 F415M333-A337 WeakPolarHBondContact O-CB 3.42Å; M333-A337 PolarHBondContact O-N 3.18Å; I334-A337 WeakPolarHBondContact O-CB 3.4Å; I334-A337 PolarHBondContact O-N 2.98Å; A337-K339 VanDerWaalsContact C-N 3.26Å; A337-K339 PolarHBondContact O-N 2.89Å; A337-W340 PolarHBondContact O-N 3Å; A337-L341 HydrophobicContact CB-CD1 4.21Å; A337-L341 CarbonylContact O-C 3.58Å; A337-L341 VanDerWaalsContact O-CA 3.3Å; A337-L341 WeakPolarHBondContact O-CA 3.32Å; A337-L341 VanDerWaalsContact O-CB 3.32Å; A337-L341 WeakPolarHBondContact O-CB 3.37Å; A337-L341 PolarHBondContact O-N 3.28Å; A337-W348 HydrophobicContact CB-CD2 4.22Å; A337-W348 HydrophobicContact CB-CH2 4.04Å; A337-W348 HydrophobicContact CB-CZ2 3.5Å; A337-W348 VanDerWaalsContact CB-CZ2 3.5Å; A337-W348 WeakPolarHBondContact O-CH2 3.39Å; A337-L357 HydrophobicContact CB-CD2 4.21Å; A337-F415 HydrophobicContact CB-CD2 4.08Å; A337-F415 HydrophobicContact CB-CE2 3.72Å
338D96Very high94.1Very high90 Ų9049.6 Ų49.648%0.48126%0.256SS..Hα-helixtrans-59-37.8176.5-73.6-31.1000112.2I334 W348I334-D338 PolarHBondContact O-N 3.18Å; D338-W348 WeakPolarHBondContact OD1-CZ2 3.46Å
339K95.9Very high94Very high104 Ų10451.7 Ų51.745%0.45226%0.261SS..Hα-helixtrans-70.2-48.1179.7-179.7-178.6168.5-163.10112.6N335 S336 A337 D412N335-K339 WeakPolarHBondContact O-CB 3.35Å; N335-K339 PolarHBondContact O-N 3.41Å; S336-K339 PolarHBondContact O-N 3.44Å; A337-K339 VanDerWaalsContact C-N 3.26Å; A337-K339 PolarHBondContact O-N 2.89Å; K339-D412 WeakPolarHBondContact CD-OD1 3.47Å; K339-D412 VanDerWaalsContact NZ-CG 3.27Å; K339-D412 IonicContact NZ-OD1 2.98Å; K339-D412 PolarHBondContact NZ-OD1 2.75Å; K339-D412 IonicContact NZ-OD2 2.88Å; K339-D412 PolarHBondContact NZ-OD2 3.45Å
340W96.7Very high93.9Very high73 Ų7354 Ų5428%0.27728%0.283SS..Hα-helixtrans-106.5-32.9-167.9-66.2115.6000114.9S336 A337 K342 D412 F415 R416 S419S336-W340 PolarHBondContact O-N 2.66Å; A337-W340 PolarHBondContact O-N 3Å; W340-K342 VanDerWaalsContact C-N 3.34Å; W340-K342 PolarHBondContact O-N 3.5Å; W340-D412 VanDerWaalsContact NE1-CG 3.3Å; W340-D412 PolarHBondContact NE1-O 3.42Å; W340-D412 PolarHBondContact NE1-OD1 3.26Å; W340-D412 PolarHBondContact NE1-OD2 3.13Å; W340-F415 HydrophobicContact CB-CB 4.05Å; W340-F415 HydrophobicContact CG-CB 4.4Å; W340-R416 HydrophobicContact CD2-CB 3.79Å; W340-R416 HydrophobicContact CD2-CG 3.98Å; W340-R416 HydrophobicContact CE3-CB 4.17Å; W340-R416 HydrophobicContact CE3-CG 3.87Å; W340-R416 HydrophobicContact CG-CB 4.23Å; W340-R416 HydrophobicContact CH2-CB 4.29Å; W340-R416 HydrophobicContact CH2-CG 3.57Å; W340-R416 HydrophobicContact CZ2-CB 3.88Å; W340-R416 HydrophobicContact CZ2-CG 3.65Å; W340-R416 HydrophobicContact CZ3-CB 4.42Å; W340-R416 HydrophobicContact CZ3-CG 3.69Å; W340-S419 VanDerWaalsContact O-CB 3.23Å; W340-S419 WeakPolarHBondContact O-CB 3.25Å; W340-S419 PolarHBondContact O-OG 3.43Å
341L93.1Very high93.8Very high0 Ų052.6 Ų52.60%028%0.278CS..SBendtrans-100.631.7-173.7-52.5-178.6000111.5A337 V345 A346 W348 M359 F415 L418A337-L341 HydrophobicContact CB-CD1 4.21Å; A337-L341 CarbonylContact O-C 3.58Å; A337-L341 VanDerWaalsContact O-CA 3.3Å; A337-L341 WeakPolarHBondContact O-CA 3.32Å; A337-L341 VanDerWaalsContact O-CB 3.32Å; A337-L341 WeakPolarHBondContact O-CB 3.37Å; A337-L341 PolarHBondContact O-N 3.28Å; L341-V345 HydrophobicContact CD2-CG1 3.98Å; L341-A346 HydrophobicContact CB-CB 4.28Å; L341-W348 HydrophobicContact CB-CH2 4.01Å; L341-W348 HydrophobicContact CB-CZ3 3.8Å; L341-W348 VanDerWaalsContact O-CH2 3.22Å; L341-W348 WeakPolarHBondContact O-CH2 3.38Å; L341-W348 WeakPolarHBondContact O-CZ3 3.25Å; L341-M359 HydrophobicContact CD1-CE 4.16Å; L341-M359 HydrophobicContact CD1-SD 3.4Å; L341-M359 WeakPolarHBondContact CD1-SD 3.46Å; L341-F415 HydrophobicContact CD1-CB 4.45Å; L341-F415 HydrophobicContact CD1-CD1 3.92Å; L341-F415 HydrophobicContact CD1-CD2 3.93Å; L341-F415 HydrophobicContact CD1-CE1 4.01Å; L341-F415 HydrophobicContact CD1-CE2 4.02Å; L341-F415 HydrophobicContact CD1-CG 3.86Å; L341-F415 HydrophobicContact CD1-CZ 4.03Å; L341-F415 HydrophobicContact CD2-CB 4.42Å; L341-F415 HydrophobicContact CG-CB 4.27Å; L341-F415 HydrophobicContact CG-CD2 4.38Å; L341-F415 HydrophobicContact CG-CG 4.2Å; L341-L418 HydrophobicContact CD1-CD2 4.5Å; L341-L418 HydrophobicContact CD2-CD2 4.22Å; L341-L418 HydrophobicContact CD2-CG 4.38Å
342K79.1Confident93.7Very high128 Ų12852.2 Ų52.256%0.55728%0.28SS*.THydrogen-bonded Turntrans-39.5163.4179.8-67.8-175.6174.6-1790113.6W340 D344 V345W340-K342 VanDerWaalsContact C-N 3.34Å; W340-K342 PolarHBondContact O-N 3.5Å; K342-D344 PolarHBondContact O-N 3.49Å; K342-V345 PolarHBondContact O-N 3.06Å
343A70.3Confident93.7Very high77 Ų7751.3 Ų51.364%0.63627%0.272SS*.THydrogen-bonded Turntrans-50.3-16.7-169.200000117.1R362A343-R362 WeakPolarHBondContact O-CD 3.32Å; A343-R362 PolarHBondContact O-NE 3.37Å; A343-R362 PolarHBondContact O-NH2 3.44Å
344D82.8Confident93.7Very high93 Ų9351 Ų5150%0.49727%0.271SS..THydrogen-bonded Turntrans-80.6-20.8171.959.3-40.7000114.6K342K342-D344 PolarHBondContact O-N 3.49Å
345V92.9Very high93.7Very high1 Ų150.7 Ų50.71%0.00627%0.269CS..THydrogen-bonded Turntrans-99.4-50.3-173.2-179.40000112.7L341 K342 R362 I422L341-V345 HydrophobicContact CD2-CG1 3.98Å; K342-V345 PolarHBondContact O-N 3.06Å; V345-R362 PolarHBondContact O-N 2.95Å; V345-I422 HydrophobicContact CG1-CB 4.1Å; V345-I422 HydrophobicContact CG1-CD1 3.49Å; V345-I422 VanDerWaalsContact CG1-CD1 3.49Å; V345-I422 HydrophobicContact CG1-CG1 4.41Å; V345-I422 HydrophobicContact CG1-CG2 4.04Å
346A96Very high93.8Very high2 Ų246 Ų462%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-149.6163.6-176.600000113.5L341 W348 K360 L361L341-A346 HydrophobicContact CB-CB 4.28Å; A346-W348 HydrophobicContact CB-CE3 4.18Å; A346-W348 HydrophobicContact CB-CZ3 4.15Å; A346-W348 WeakPolarHBondContact O-CZ3 3.37Å; A346-K360 CarbonylContact C-O 3.51Å; A346-K360 WeakPolarHBondContact CA-O 3.48Å; A346-K360 WeakPolarHBondContact CB-O 3.27Å; A346-L361 HydrophobicContact CB-CD2 4.03Å
347E95.6Very high93.8Very high80 Ų8045.8 Ų45.837%0.37424%0.242SC..EExtended strand (participates in β ladder)trans-120.9140.3168-63.317515500109.6M359 K360 R362E347-M359 CarbonylContact O-C 3.56Å; E347-M359 WeakPolarHBondContact O-CA 3.48Å; E347-K360 HydrophobicContact CB-CB 4.34Å; E347-K360 PolarHBondContact N-O 3.48Å; E347-K360 PolarHBondContact O-N 3.48Å; E347-R362 VanDerWaalsContact CD-CZ 3.44Å; E347-R362 VanDerWaalsContact CD-NH2 3.26Å; E347-R362 VanDerWaalsContact CG-CZ 3.42Å; E347-R362 IonicContact OE1-CZ 2.68Å; E347-R362 IonicContact OE1-NH1 2.7Å; E347-R362 PolarHBondContact OE1-NH1 3.04Å; E347-R362 IonicContact OE1-NH2 3.07Å; E347-R362 PolarHBondContact OE1-NH2 3.46Å; E347-R362 IonicContact OE2-NH1 3.86Å
348W96.7Very high93.9Very high48 Ų4846.9 Ų46.918%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-150.6166.5175.16294.4000111.2A337 D338 L341 A346 L357 W358 M359A337-W348 HydrophobicContact CB-CD2 4.22Å; A337-W348 HydrophobicContact CB-CH2 4.04Å; A337-W348 HydrophobicContact CB-CZ2 3.5Å; A337-W348 VanDerWaalsContact CB-CZ2 3.5Å; A337-W348 WeakPolarHBondContact O-CH2 3.39Å; D338-W348 WeakPolarHBondContact OD1-CZ2 3.46Å; L341-W348 HydrophobicContact CB-CH2 4.01Å; L341-W348 HydrophobicContact CB-CZ3 3.8Å; L341-W348 VanDerWaalsContact O-CH2 3.22Å; L341-W348 WeakPolarHBondContact O-CH2 3.38Å; L341-W348 WeakPolarHBondContact O-CZ3 3.25Å; A346-W348 HydrophobicContact CB-CE3 4.18Å; A346-W348 HydrophobicContact CB-CZ3 4.15Å; A346-W348 WeakPolarHBondContact O-CZ3 3.37Å; W348-L357 HydrophobicContact CB-CD1 4.03Å; W348-L357 HydrophobicContact CB-CG 4.5Å; W348-L357 HydrophobicContact CG-CD1 4.12Å; W348-W358 WeakPolarHBondContact CB-O 3.44Å; W348-M359 HydrophobicContact CB-CG 4.01Å
349H96.1Very high93.9Very high115 Ų11542.6 Ų42.653%0.53222%0.223SC..  trans-116.3142.4168-63-75.4000109.3Q163 P351 L357Q163-H349 HydrophobicContact CB-CB 3.98Å; H349-P351 WeakPolarHBondContact O-CD 3.37Å; H349-L357 WeakPolarHBondContact O-CD1 3.46Å
350A96.6Very high94Very high65 Ų6541.3 Ų41.354%0.53722%0.218SC..  trans-65.7124.8175.700000109.7I334I334-A350 HydrophobicContact CD1-CB 4.18Å; I334-A350 HydrophobicContact CG1-CB 4.49Å
351P97.4Very high94Very high3 Ų338 Ų382%0.01921%0.205CC..  trans-68.2139.3178.127.5-32.1000109.7F238 R330 H349 F356 F403F238-P351 WeakPolarHBondContact CD2-O 3.41Å; F238-P351 WeakPolarHBondContact CE2-O 3.33Å; R330-P351 HydrophobicContact CG-CG 3.69Å; R330-P351 PolarHBondContact NH1-O 2.77Å; R330-P351 VanDerWaalsContact NH1-O 3.16Å; H349-P351 WeakPolarHBondContact O-CD 3.37Å; P351-F356 WeakPolarHBondContact CB-O 3.44Å; P351-F403 HydrophobicContact CG-CE1 3.91Å; P351-F403 HydrophobicContact CG-CZ 4.12Å
352S95.1Very high94Very high55 Ų5542.4 Ų42.439%0.38522%0.222SC..SBendtrans-93.1-15.7176.950.80000112.6G205 S207 F238G205-S352 PolarHBondContact O-N 3.48Å; S207-S352 VanDerWaalsContact CB-OG 3.24Å; S207-S352 WeakPolarHBondContact CB-OG 3.43Å; S207-S352 PolarHBondContact OG-OG 2.92Å; F238-S352 VanDerWaalsContact CD2-O 3.28Å; F238-S352 WeakPolarHBondContact CD2-O 3.4Å; F238-S352 PolarHBondContact N-O 2.81Å; F238-S352 VanDerWaalsContact N-O 3.08Å
353A98.4Very high94.6Very high0 Ų039.8 Ų39.80%023%0.231CC..BIsolated β-bridgetrans-155.7172.9176.500000111.4N199 G200 L236 Q237N199-A353 HydrophobicContact CB-CB 4.38Å; G200-A353 WeakPolarHBondContact CA-O 3.41Å; L236-A353 CarbonylContact O-C 3.56Å; L236-A353 WeakPolarHBondContact O-CA 3.42Å; L236-A353 VanDerWaalsContact O-CB 3.28Å; L236-A353 WeakPolarHBondContact O-CB 3.35Å; Q237-A353 HydrophobicContact CB-CB 4.34Å; Q237-A353 HydrophobicContact CG-CB 3.87Å
354G98.3Very high95.8Very high0 Ų037.1 Ų37.10%021%0.207CC..SBendtrans82.6-145.2171.500000112.9L236 F238L236-G354 PolarHBondContact O-N 2.91Å; F238-G354 WeakPolarHBondContact CZ-O 3.5Å
355M98.6Very high96.4Very high17 Ų1736.3 Ų36.38%0.08421%0.214CC..SBendtrans-14720-169.365.8-171.3-171.900114.6Y233 K263 Y326 A402 F403Y233-M355 HydrophobicContact CE1-CE 4.08Å; Y233-M355 HydrophobicContact CE1-CG 4.22Å; Y233-M355 HydrophobicContact CE1-SD 4.31Å; K263-M355 HydrophobicContact CD-CE 4.05Å; K263-M355 HydrophobicContact CD-SD 4.29Å; Y326-M355 HydrophobicContact CD1-CB 3.92Å; Y326-M355 HydrophobicContact CE1-CB 3.59Å; Y326-M355 HydrophobicContact CE1-SD 4.33Å; M355-A402 WeakPolarHBondContact O-CA 3.49Å; M355-F403 VanDerWaalsContact C-CZ 3.45Å; M355-F403 VanDerWaalsContact CA-CE2 3.5Å; M355-F403 HydrophobicContact CB-CE2 4.32Å; M355-F403 PolarHBondContact O-N 3.32Å; M355-F403 VanDerWaalsContact O-N 3.15Å
356F98.7Very high96.6Very high10 Ų1039.6 Ų39.64%0.04423%0.231CC..EExtended strand (participates in β ladder)trans-129.7142.4-175.6-55.7-56.5000112.5N202 Y233 P351 R400 A401 A402 F403N202-F356 HydrophobicContact CB-CD2 4.11Å; N202-F356 HydrophobicContact CB-CE2 3.88Å; N202-F356 VanDerWaalsContact CG-CE2 3.43Å; Y233-F356 VanDerWaalsContact OH-CE2 3.27Å; Y233-F356 WeakPolarHBondContact OH-CE2 3.26Å; P351-F356 WeakPolarHBondContact CB-O 3.44Å; F356-R400 HydrophobicContact CB-CG 3.89Å; F356-R400 HydrophobicContact CD1-CG 4.08Å; F356-R400 HydrophobicContact CG-CG 4.05Å; F356-A401 CarbonylContact C-O 3.24Å; F356-A401 VanDerWaalsContact CA-O 3.29Å; F356-A401 WeakPolarHBondContact CA-O 3.19Å; F356-A402 HydrophobicContact CD1-CB 3.76Å; F356-A402 HydrophobicContact CE1-CB 3.81Å; F356-F403 VanDerWaalsContact N-CE1 3.28Å
357L98.5Very high96.6Very high1 Ų139.5 Ų39.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-108.6131164.9-177.565.2000108.4M333 I334 A337 W348 H349 M359 A401 F415M333-L357 HydrophobicContact CG-CB 4.11Å; M333-L357 HydrophobicContact CG-CD2 3.78Å; M333-L357 HydrophobicContact SD-CD2 4.48Å; I334-L357 HydrophobicContact CD1-CD1 3.69Å; I334-L357 HydrophobicContact CD1-CD2 4.28Å; A337-L357 HydrophobicContact CB-CD2 4.21Å; W348-L357 HydrophobicContact CB-CD1 4.03Å; W348-L357 HydrophobicContact CB-CG 4.5Å; W348-L357 HydrophobicContact CG-CD1 4.12Å; H349-L357 WeakPolarHBondContact O-CD1 3.46Å; L357-M359 HydrophobicContact CD2-CG 3.99Å; L357-M359 HydrophobicContact CD2-SD 3.7Å; L357-M359 HydrophobicContact CG-CG 3.83Å; L357-M359 HydrophobicContact CG-SD 4.17Å; L357-A401 HydrophobicContact CB-CB 4.44Å; L357-A401 PolarHBondContact N-O 3.3Å; L357-A401 PolarHBondContact O-N 3Å; L357-F415 HydrophobicContact CD2-CE2 4.28Å; L357-F415 HydrophobicContact CD2-CZ 4.08Å
358W98.3Very high96.7Very high23 Ų2339.7 Ų39.79%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-110.9123.7179.4-175.1-121.2000110.1P140 P203 W348 F388 Y398 V399 R400P140-W358 HydrophobicContact CB-CZ2 4.19Å; P140-W358 HydrophobicContact CG-CZ2 3.92Å; P203-W358 HydrophobicContact CB-CD2 4.2Å; P203-W358 HydrophobicContact CB-CE3 3.68Å; P203-W358 HydrophobicContact CB-CH2 4.33Å; P203-W358 HydrophobicContact CB-CZ3 3.77Å; P203-W358 HydrophobicContact CG-CD2 4.02Å; P203-W358 HydrophobicContact CG-CE3 3.86Å; P203-W358 HydrophobicContact CG-CH2 3.82Å; P203-W358 HydrophobicContact CG-CZ2 4.03Å; P203-W358 HydrophobicContact CG-CZ3 3.78Å; W348-W358 WeakPolarHBondContact CB-O 3.44Å; W358-F388 AromaticContact CH2-CD2 3.8Å; W358-F388 HydrophobicContact CH2-CD2 3.8Å; W358-F388 HydrophobicContact CH2-CE2 4.49Å; W358-F388 AromaticContact CZ3-CD2 3.78Å; W358-F388 HydrophobicContact CZ3-CD2 3.78Å; W358-F388 HydrophobicContact CZ3-CE2 4.03Å; W358-Y398 AromaticContact CD1-CD1 3.62Å; W358-Y398 AromaticContact CD1-CE1 3.86Å; W358-Y398 HydrophobicContact CD2-CD1 4.03Å; W358-Y398 HydrophobicContact CD2-CG 4.44Å; W358-Y398 VanDerWaalsContact CE2-CB 3.48Å; W358-Y398 AromaticContact CE2-CD1 3.38Å; W358-Y398 AromaticContact CE2-CG 3.57Å; W358-Y398 HydrophobicContact CG-CD1 4.21Å; W358-Y398 VanDerWaalsContact CH2-CB 3.43Å; W358-Y398 HydrophobicContact CH2-CG 4.32Å; W358-Y398 AromaticContact CZ2-CD1 3.87Å; W358-Y398 HydrophobicContact CZ2-CD1 3.87Å; W358-Y398 HydrophobicContact CZ2-CD2 4.25Å; W358-Y398 AromaticContact CZ2-CG 3.52Å; W358-Y398 HydrophobicContact CZ2-CG 3.52Å; W358-Y398 AromaticContact NE1-CD1 3.04Å; W358-Y398 AromaticContact NE1-CE1 3.42Å; W358-Y398 AromaticContact NE1-CG 3.63Å; W358-V399 VanDerWaalsContact CZ3-C 3.48Å; W358-R400 HydrophobicContact CE3-CB 3.76Å; W358-R400 HydrophobicContact CE3-CG 4.36Å; W358-R400 HydrophobicContact CZ3-CB 3.82Å
359M97.5Very high96.6Very high0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans-129.8130.8-169.1-53.1179.9-64.700110.1L341 E347 W348 L357 L382 Y398 V399 A401 F415 L418L341-M359 HydrophobicContact CD1-CE 4.16Å; L341-M359 HydrophobicContact CD1-SD 3.4Å; L341-M359 WeakPolarHBondContact CD1-SD 3.46Å; E347-M359 CarbonylContact O-C 3.56Å; E347-M359 WeakPolarHBondContact O-CA 3.48Å; W348-M359 HydrophobicContact CB-CG 4.01Å; L357-M359 HydrophobicContact CD2-CG 3.99Å; L357-M359 HydrophobicContact CD2-SD 3.7Å; L357-M359 HydrophobicContact CG-CG 3.83Å; L357-M359 HydrophobicContact CG-SD 4.17Å; M359-L382 HydrophobicContact CE-CD2 3.82Å; M359-Y398 CarbonylContact O-C 3.51Å; M359-Y398 WeakPolarHBondContact O-CA 3.46Å; M359-V399 HydrophobicContact CB-CG2 4.11Å; M359-V399 HydrophobicContact CE-CG2 3.64Å; M359-V399 PolarHBondContact N-O 3.36Å; M359-V399 PolarHBondContact O-N 2.89Å; M359-A401 HydrophobicContact CE-CB 4.08Å; M359-F415 HydrophobicContact CE-CE1 3.71Å; M359-F415 HydrophobicContact CE-CZ 3.91Å; M359-F415 HydrophobicContact SD-CE1 4.08Å; M359-F415 HydrophobicContact SD-CE2 4.49Å; M359-F415 HydrophobicContact SD-CZ 3.73Å; M359-L418 HydrophobicContact CE-CD2 4.24Å
360K97.3Very high96.5Very high76 Ų7638.3 Ų38.333%0.3323%0.227SC..EExtended strand (participates in β ladder)trans-88.9118.5168.9-167.2-178.3-176.4174.40108.8A346 E347 P397 Y398A346-K360 CarbonylContact C-O 3.51Å; A346-K360 WeakPolarHBondContact CA-O 3.48Å; A346-K360 WeakPolarHBondContact CB-O 3.27Å; E347-K360 HydrophobicContact CB-CB 4.34Å; E347-K360 PolarHBondContact N-O 3.48Å; E347-K360 PolarHBondContact O-N 3.48Å; K360-P397 HydrophobicContact CG-CB 4.25Å; K360-P397 HydrophobicContact CG-CG 4.12Å; K360-Y398 HydrophobicContact CB-CD1 3.76Å; K360-Y398 HydrophobicContact CB-CE1 3.45Å; K360-Y398 VanDerWaalsContact CB-CE1 3.45Å; K360-Y398 HydrophobicContact CB-CE2 4.4Å; K360-Y398 HydrophobicContact CB-CG 4.38Å; K360-Y398 HydrophobicContact CD-CE1 4.34Å; K360-Y398 HydrophobicContact CD-CE2 4.22Å; K360-Y398 HydrophobicContact CG-CD1 4.31Å; K360-Y398 HydrophobicContact CG-CD2 4.39Å; K360-Y398 HydrophobicContact CG-CE1 3.96Å; K360-Y398 HydrophobicContact CG-CE2 3.99Å
361L96.5Very high96.5Very high3 Ų335.2 Ų35.22%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-81.6129.7176-53.6-169.7000109.5A346 V364 T367 L370 P397 V399 I422A346-L361 HydrophobicContact CB-CD2 4.03Å; L361-V364 HydrophobicContact CB-CB 4.07Å; L361-V364 HydrophobicContact CB-CG2 4.15Å; L361-T367 HydrophobicContact CD1-CG2 3.88Å; L361-T367 HydrophobicContact CG-CG2 4.2Å; L361-L370 HydrophobicContact CD1-CD2 3.89Å; L361-P397 PolarHBondContact N-O 3.09Å; L361-V399 HydrophobicContact CD1-CG1 4.01Å; L361-V399 HydrophobicContact CD1-CG2 4.39Å; L361-V399 HydrophobicContact CD2-CG2 3.95Å; L361-V399 HydrophobicContact CG-CG1 4.4Å; L361-V399 HydrophobicContact CG-CG2 4.2Å; L361-I422 HydrophobicContact CD1-CD1 3.92Å; L361-I422 HydrophobicContact CD1-CG1 4.37Å; L361-I422 HydrophobicContact CD2-CD1 3.78Å; L361-I422 HydrophobicContact CG-CD1 4.28Å
362R93.9Very high96.4Very high93 Ų9339.4 Ų39.435%0.35122%0.222SC..THydrogen-bonded Turntrans-78.5143.6179.9-66.4-160.9-173.6-83.79.7111.4A343 V345 E347 V364A343-R362 WeakPolarHBondContact O-CD 3.32Å; A343-R362 PolarHBondContact O-NE 3.37Å; A343-R362 PolarHBondContact O-NH2 3.44Å; V345-R362 PolarHBondContact O-N 2.95Å; E347-R362 VanDerWaalsContact CD-CZ 3.44Å; E347-R362 VanDerWaalsContact CD-NH2 3.26Å; E347-R362 VanDerWaalsContact CG-CZ 3.42Å; E347-R362 IonicContact OE1-CZ 2.68Å; E347-R362 IonicContact OE1-NH1 2.7Å; E347-R362 PolarHBondContact OE1-NH1 3.04Å; E347-R362 IonicContact OE1-NH2 3.07Å; E347-R362 PolarHBondContact OE1-NH2 3.46Å; E347-R362 IonicContact OE2-NH1 3.86Å; R362-V364 PolarHBondContact O-N 2.87Å; R362-V364 VanDerWaalsContact O-N 3.08Å
363G91.8Very high96.4Very high73 Ų7341.6 Ų41.675%0.75323%0.226SC*.THydrogen-bonded Turntrans65.85179.700000115
364V94.6Very high96.3Very high21 Ų2146 Ų4613%0.12725%0.246CC..  trans-107.2117.2173.6179.30000107.9L361 R362 D366 T367 L370 P397L361-V364 HydrophobicContact CB-CB 4.07Å; L361-V364 HydrophobicContact CB-CG2 4.15Å; R362-V364 PolarHBondContact O-N 2.87Å; R362-V364 VanDerWaalsContact O-N 3.08Å; V364-D366 VanDerWaalsContact CG1-O 3.27Å; V364-D366 WeakPolarHBondContact CG1-O 3.33Å; V364-T367 HydrophobicContact CG1-CG2 3.98Å; V364-L370 HydrophobicContact CG1-CD2 4.04Å; V364-L370 HydrophobicContact CG2-CD2 3.92Å; V364-P397 WeakPolarHBondContact O-CB 3.21Å
365A95.3Very high96.1Very high77 Ų7746.1 Ų46.164%0.63625%0.246SC*.SBendtrans-77.6-36.8178.400000112.3C396A365-C396 CarbonylContact O-C 3.36Å; A365-C396 PolarHBondContact O-N 2.63Å
366D97Very high95.9Very high69 Ų6950 Ų5037%0.36927%0.267SS..  trans-139.3127.1-179.7-176.78.6000110.4V364 Q368 P395V364-D366 VanDerWaalsContact CG1-O 3.27Å; V364-D366 WeakPolarHBondContact CG1-O 3.33Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.41Å; D366-Q368 PolarHBondContact OD1-N 2.99Å; D366-P395 HydrophobicContact CB-CB 4.13Å
367T96.9Very high95.8Very high0 Ų057 Ų570%030%0.3CS..  trans-88.2-8.9-177.562.30000113.4L361 V364 L370 I371 G385 C396 P397 Y398 V399L361-T367 HydrophobicContact CD1-CG2 3.88Å; L361-T367 HydrophobicContact CG-CG2 4.2Å; V364-T367 HydrophobicContact CG1-CG2 3.98Å; T367-L370 PolarHBondContact O-N 3.32Å; T367-I371 WeakPolarHBondContact O-CB 3.39Å; T367-I371 VanDerWaalsContact O-CG1 3.27Å; T367-I371 WeakPolarHBondContact O-CG1 3.37Å; T367-I371 PolarHBondContact O-N 3.2Å; T367-G385 PolarHBondContact OG1-N 2.89Å; T367-C396 WeakPolarHBondContact CG2-O 3.33Å; T367-C396 PolarHBondContact N-O 3.27Å; T367-C396 PolarHBondContact OG1-O 3.01Å; T367-P397 VanDerWaalsContact CG2-C 3.4Å; T367-P397 WeakPolarHBondContact CG2-O 3.48Å; T367-Y398 WeakPolarHBondContact CG2-O 3.47Å; T367-Y398 PolarHBondContact OG1-O 3.26Å; T367-V399 HydrophobicContact CG2-CG1 3.78Å
368Q96.3Very high95.6Very high85 Ų8560.7 Ų60.740%0.39732%0.315SS..Hα-helixtrans-54.9-59.7-175.1-175.768.4700112.3D366 M372D366-Q368 WeakPolarHBondContact OD1-CB 3.41Å; D366-Q368 PolarHBondContact OD1-N 2.99Å; Q368-M372 VanDerWaalsContact O-CB 3.29Å; Q368-M372 WeakPolarHBondContact O-CB 3.47Å; Q368-M372 VanDerWaalsContact O-CG 3.22Å; Q368-M372 WeakPolarHBondContact O-CG 3.09Å; Q368-M372 PolarHBondContact O-N 3.3Å
369Q94.8Very high95.5Very high118 Ų11866.5 Ų66.555%0.55134%0.344SS*.Hα-helixtrans-67.6-42.8-178.7-167.4-1762.800111.9I371 E373Q369-I371 VanDerWaalsContact C-N 3.26Å; Q369-I371 PolarHBondContact O-N 3.19Å; Q369-E373 VanDerWaalsContact CG-CD 3.48Å; Q369-E373 HydrophobicContact CG-CG 4.31Å; Q369-E373 WeakPolarHBondContact CG-OE2 3.37Å; Q369-E373 PolarHBondContact NE2-OE2 3.03Å; Q369-E373 WeakPolarHBondContact O-CB 3.37Å; Q369-E373 PolarHBondContact O-N 2.93Å; Q369-E373 VanDerWaalsContact O-N 3.07Å
370L95.1Very high95.5Very high15 Ų1567 Ų678%0.07935%0.346CS..Iπ-helixtrans-55.2-43.3-179.8-178.268.8000111.6L361 V364 T367 K374 A375 L421 I422 A425L361-L370 HydrophobicContact CD1-CD2 3.89Å; V364-L370 HydrophobicContact CG1-CD2 4.04Å; V364-L370 HydrophobicContact CG2-CD2 3.92Å; T367-L370 PolarHBondContact O-N 3.32Å; L370-K374 HydrophobicContact CD1-CB 4.44Å; L370-K374 HydrophobicContact CD1-CD 4.08Å; L370-K374 WeakPolarHBondContact O-CB 3.22Å; L370-K374 PolarHBondContact O-N 2.98Å; L370-A375 PolarHBondContact O-N 3.41Å; L370-L421 HydrophobicContact CD1-CD1 4.14Å; L370-L421 HydrophobicContact CD1-CD2 3.89Å; L370-L421 HydrophobicContact CD1-CG 3.88Å; L370-L421 HydrophobicContact CG-CD2 4.22Å; L370-I422 HydrophobicContact CD2-CG1 4.43Å; L370-A425 HydrophobicContact CD1-CB 4.33Å
371I95.8Very high95.5Very high0 Ų069.3 Ų69.30%036%0.362CS..Iπ-helixtrans-83.4-45.9-176.9-63-57.8000112.1T367 Q369 E373 A375 L382 P384 V399 L418T367-I371 WeakPolarHBondContact O-CB 3.39Å; T367-I371 VanDerWaalsContact O-CG1 3.27Å; T367-I371 WeakPolarHBondContact O-CG1 3.37Å; T367-I371 PolarHBondContact O-N 3.2Å; Q369-I371 VanDerWaalsContact C-N 3.26Å; Q369-I371 PolarHBondContact O-N 3.19Å; I371-E373 VanDerWaalsContact C-N 3.28Å; I371-E373 PolarHBondContact O-N 3.43Å; I371-A375 HydrophobicContact CD1-CB 4Å; I371-L382 HydrophobicContact CD1-CB 4.4Å; I371-L382 HydrophobicContact CD1-CD1 3.88Å; I371-L382 HydrophobicContact CG2-CB 4.31Å; I371-L382 VanDerWaalsContact CG2-O 3.3Å; I371-L382 WeakPolarHBondContact CG2-O 3.42Å; I371-P384 HydrophobicContact CB-CG 4.04Å; I371-P384 HydrophobicContact CG2-CG 4.06Å; I371-V399 HydrophobicContact CD1-CG1 3.92Å; I371-V399 HydrophobicContact CG1-CG1 3.72Å; I371-L418 HydrophobicContact CD1-CD1 4.23Å
372M96.3Very high95.5Very high92 Ų9269.8 Ų69.845%0.45336%0.364SS..Iπ-helixtrans-73.5-20.8-173.2-63.2-56.8-61.400113.4Q368 P384Q368-M372 VanDerWaalsContact O-CB 3.29Å; Q368-M372 WeakPolarHBondContact O-CB 3.47Å; Q368-M372 VanDerWaalsContact O-CG 3.22Å; Q368-M372 WeakPolarHBondContact O-CG 3.09Å; Q368-M372 PolarHBondContact O-N 3.3Å; M372-P384 HydrophobicContact CG-CG 4.05Å; M372-P384 HydrophobicContact SD-CG 4.1Å
373E94.8Very high95.7Very high101 Ų10167.3 Ų67.347%0.47236%0.36SS..Iπ-helixtrans-112.9-69.3178.3-60.5173.5-170.300110.6Q369 I371 L376 E377Q369-E373 VanDerWaalsContact CG-CD 3.48Å; Q369-E373 HydrophobicContact CG-CG 4.31Å; Q369-E373 WeakPolarHBondContact CG-OE2 3.37Å; Q369-E373 PolarHBondContact NE2-OE2 3.03Å; Q369-E373 WeakPolarHBondContact O-CB 3.37Å; Q369-E373 PolarHBondContact O-N 2.93Å; Q369-E373 VanDerWaalsContact O-N 3.07Å; I371-E373 VanDerWaalsContact C-N 3.28Å; I371-E373 PolarHBondContact O-N 3.43Å; E373-L376 PolarHBondContact O-N 3.4Å; E373-E377 WeakPolarHBondContact O-CG 3.3Å; E373-E377 PolarHBondContact O-N 2.84Å; E373-E377 VanDerWaalsContact O-N 3.09Å
374K95.5Very high96Very high93 Ų9364.1 Ų64.140%0.40433%0.326SS..Iπ-helixtrans-72.5-39.9-167.1-56.2-177175.4-179.20113.7L370 L376 E377 K378 L421L370-K374 HydrophobicContact CD1-CB 4.44Å; L370-K374 HydrophobicContact CD1-CD 4.08Å; L370-K374 WeakPolarHBondContact O-CB 3.22Å; L370-K374 PolarHBondContact O-N 2.98Å; K374-L376 VanDerWaalsContact C-N 3.3Å; K374-E377 PolarHBondContact O-N 2.89Å; K374-K378 WeakPolarHBondContact O-CG 3.41Å; K374-K378 PolarHBondContact O-N 3.27Å; K374-L421 HydrophobicContact CB-CD1 3.6Å; K374-L421 HydrophobicContact CB-CD2 4.09Å; K374-L421 HydrophobicContact CB-CG 4.47Å; K374-L421 HydrophobicContact CD-CD1 4.2Å
375A94.7Very high96.1Very high1 Ų163.1 Ų63.11%0.00832%0.32CS..Iπ-helixtrans-67-36.1176.600000111.3L370 I371 K378 E379 V380 L421L370-A375 PolarHBondContact O-N 3.41Å; I371-A375 HydrophobicContact CD1-CB 4Å; A375-K378 CarbonylContact O-C 3.55Å; A375-K378 VanDerWaalsContact O-C 3.28Å; A375-K378 WeakPolarHBondContact O-CA 3.42Å; A375-K378 PolarHBondContact O-N 3.5Å; A375-K378 VanDerWaalsContact O-N 3.1Å; A375-E379 PolarHBondContact O-N 2.93Å; A375-E379 VanDerWaalsContact O-N 3.11Å; A375-V380 CarbonylContact C-O 3.46Å; A375-V380 WeakPolarHBondContact CB-O 3.45Å; A375-V380 PolarHBondContact O-N 3.36Å; A375-V380 VanDerWaalsContact O-O 3.05Å; A375-L421 HydrophobicContact CB-CD2 3.74Å
376L95Very high96.2Very high99 Ų9959.7 Ų59.752%0.51829%0.292SS..Hα-helixtrans-64.8-39.5176.3-173.262.8000112.2E373 K374 K378 E379 V380E373-L376 PolarHBondContact O-N 3.4Å; K374-L376 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 3.39Å; L376-E379 VanDerWaalsContact O-CA 3.31Å; L376-E379 WeakPolarHBondContact O-CA 3.41Å; L376-E379 PolarHBondContact O-N 3.36Å; L376-V380 PolarHBondContact N-O 3.46Å
377E95.6Very high96.2Very high157 Ų15759.1 Ų59.173%0.73429%0.291SS*.Hα-helixtrans-61.4-31.5171.6-72175.7177.500112.7E373 K374 E379E373-E377 WeakPolarHBondContact O-CG 3.3Å; E373-E377 PolarHBondContact O-N 2.84Å; E373-E377 VanDerWaalsContact O-N 3.09Å; K374-E377 PolarHBondContact O-N 2.89Å; E377-E379 PolarHBondContact O-N 2.9Å
378K95.2Very high96.3Very high78 Ų7859.2 Ų59.234%0.33929%0.291SS..THydrogen-bonded Turntrans-86.111.1171.7-54.3-73.4-173.6163.60112.1K374 A375 L376 V380 R417 E424K374-K378 WeakPolarHBondContact O-CG 3.41Å; K374-K378 PolarHBondContact O-N 3.27Å; A375-K378 CarbonylContact O-C 3.55Å; A375-K378 VanDerWaalsContact O-C 3.28Å; A375-K378 WeakPolarHBondContact O-CA 3.42Å; A375-K378 PolarHBondContact O-N 3.5Å; A375-K378 VanDerWaalsContact O-N 3.1Å; L376-K378 PolarHBondContact O-N 3.39Å; K378-V380 VanDerWaalsContact C-N 3.32Å; K378-V380 PolarHBondContact O-N 2.78Å; K378-R417 WeakPolarHBondContact O-CD 3.43Å; K378-R417 PolarHBondContact O-NH1 2.75Å; K378-E424 IonicContact NZ-OE1 2.9Å; K378-E424 PolarHBondContact NZ-OE1 2.92Å; K378-E424 IonicContact NZ-OE2 3.89Å; K378-E424 PolarHBondContact NZ-OE2 3.48Å
379E96.7Very high96.3Very high145 Ų14557.8 Ų57.868%0.67829%0.285SS*.THydrogen-bonded Turntrans55.240.5179.9-52.6169.2155.900113.5A375 L376 E377 R417A375-E379 PolarHBondContact O-N 2.93Å; A375-E379 VanDerWaalsContact O-N 3.11Å; L376-E379 VanDerWaalsContact O-CA 3.31Å; L376-E379 WeakPolarHBondContact O-CA 3.41Å; L376-E379 PolarHBondContact O-N 3.36Å; E377-E379 PolarHBondContact O-N 2.9Å; E379-R417 VanDerWaalsContact CB-NH1 3.27Å; E379-R417 IonicContact OE2-CZ 2.69Å; E379-R417 IonicContact OE2-NH1 3.39Å; E379-R417 PolarHBondContact OE2-NH1 3.13Å; E379-R417 IonicContact OE2-NH2 3.32Å; E379-R417 PolarHBondContact OE2-NH2 3.36Å
380V96.6Very high96.4Very high10 Ų1054.6 Ų54.66%0.06127%0.271CS..  trans-123.9130.2171.3-1790000109.2A375 L376 K378 L382 A414 R417A375-V380 CarbonylContact C-O 3.46Å; A375-V380 WeakPolarHBondContact CB-O 3.45Å; A375-V380 PolarHBondContact O-N 3.36Å; A375-V380 VanDerWaalsContact O-O 3.05Å; L376-V380 PolarHBondContact N-O 3.46Å; K378-V380 VanDerWaalsContact C-N 3.32Å; K378-V380 PolarHBondContact O-N 2.78Å; V380-L382 HydrophobicContact CG1-CD1 3.6Å; V380-L382 HydrophobicContact CG1-CG 4.44Å; V380-A414 HydrophobicContact CG1-CB 4.19Å; V380-A414 HydrophobicContact CG2-CB 4.41Å; V380-R417 HydrophobicContact CG2-CB 3.5Å; V380-R417 VanDerWaalsContact CG2-CB 3.5Å; V380-R417 HydrophobicContact CG2-CG 4.21Å
381L96.6Very high96.3Very high125 Ų12557.5 Ų57.565%0.65429%0.287SS*.  trans-120.3121.2175.4-174.563.2000110.4
382L97.1Very high96.1Very high13 Ų1361.4 Ų61.47%0.06831%0.314CS..  trans-118.9177.3167.1-60.3108.1000108.8M359 I371 V380 V399 A401 L418M359-L382 HydrophobicContact CE-CD2 3.82Å; I371-L382 HydrophobicContact CD1-CB 4.4Å; I371-L382 HydrophobicContact CD1-CD1 3.88Å; I371-L382 HydrophobicContact CG2-CB 4.31Å; I371-L382 VanDerWaalsContact CG2-O 3.3Å; I371-L382 WeakPolarHBondContact CG2-O 3.42Å; V380-L382 HydrophobicContact CG1-CD1 3.6Å; V380-L382 HydrophobicContact CG1-CG 4.44Å; L382-V399 HydrophobicContact CB-CB 4.31Å; L382-V399 HydrophobicContact CD2-CB 4.41Å; L382-V399 HydrophobicContact CD2-CG2 4.09Å; L382-A401 HydrophobicContact CD2-CB 3.78Å; L382-L418 HydrophobicContact CD1-CD1 4.09Å; L382-L418 HydrophobicContact CD1-CD2 4.03Å; L382-L418 HydrophobicContact CD2-CD2 4.29Å
383V98.1Very high95.9Very high42 Ų4261.4 Ų61.426%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-101.1120.8171.4-171.90000109.5V387 F388 V399 R400V383-V387 HydrophobicContact CG1-CG2 3.51Å; V383-F388 HydrophobicContact CB-CE2 4.08Å; V383-F388 HydrophobicContact CB-CZ 4.19Å; V383-F388 HydrophobicContact CG1-CE2 3.58Å; V383-F388 HydrophobicContact CG1-CZ 3.67Å; V383-V399 CarbonylContact O-C 3.59Å; V383-V399 WeakPolarHBondContact O-CA 3.34Å; V383-R400 HydrophobicContact CB-CB 4.26Å; V383-R400 PolarHBondContact N-O 3.12Å; V383-R400 VanDerWaalsContact N-O 3.15Å; V383-R400 PolarHBondContact O-N 3Å
384P98Very high95.9Very high6 Ų661 Ų614%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-56.3144.8171.6-22.231.5000111.7I371 M372 G386 V387I371-P384 HydrophobicContact CB-CG 4.04Å; I371-P384 HydrophobicContact CG2-CG 4.06Å; M372-P384 HydrophobicContact CG-CG 4.05Å; M372-P384 HydrophobicContact SD-CG 4.1Å; P384-G386 VanDerWaalsContact C-N 3.32Å; P384-G386 PolarHBondContact O-N 2.9Å; P384-V387 WeakPolarHBondContact O-CG2 3.46Å
385G97.7Very high95.9Very high0 Ų060.9 Ų60.90%033%0.333CS..G310 helixtrans-73.2-24.7-169.500000114.7T367 V387 F388 Y398T367-G385 PolarHBondContact OG1-N 2.89Å; G385-V387 PolarHBondContact O-N 2.86Å; G385-V387 VanDerWaalsContact O-N 3.15Å; G385-F388 PolarHBondContact O-N 3.25Å; G385-F388 VanDerWaalsContact O-N 3.1Å; G385-Y398 VanDerWaalsContact CA-O 3.24Å; G385-Y398 WeakPolarHBondContact CA-O 3.3Å; G385-Y398 PolarHBondContact N-O 2.95Å
386G97.4Very high96Very high5 Ų561 Ų615%0.05233%0.334CS..G310 helixtrans-56.1-31.9-178.200000113.4P384 F388 M389 S392P384-G386 VanDerWaalsContact C-N 3.32Å; P384-G386 PolarHBondContact O-N 2.9Å; G386-F388 PolarHBondContact O-N 3.35Å; G386-M389 WeakPolarHBondContact O-CB 3.38Å; G386-M389 PolarHBondContact O-N 3.24Å; G386-S392 WeakPolarHBondContact O-CA 3.38Å; G386-S392 WeakPolarHBondContact O-CB 3.17Å
387V96.6Very high96.2Very high56 Ų5657.7 Ų57.734%0.33932%0.319SS..G310 helixtrans-66.6-13.6-178.8-48.30000114.3S143 V383 P384 G385S143-V387 VanDerWaalsContact CB-O 3.24Å; S143-V387 WeakPolarHBondContact CB-O 3.37Å; V383-V387 HydrophobicContact CG1-CG2 3.51Å; P384-V387 WeakPolarHBondContact O-CG2 3.46Å; G385-V387 PolarHBondContact O-N 2.86Å; G385-V387 VanDerWaalsContact O-N 3.15Å
388F97.9Very high96.3Very high2 Ų253.8 Ų53.81%0.00930%0.298CS..G310 helixtrans-102.6-2.7178.6-54.8-73.3000112.7P140 T141 P203 W358 V383 G385 G386 R400P140-F388 CarbonylContact C-O 3.55Å; P140-F388 VanDerWaalsContact CA-O 3.28Å; P140-F388 WeakPolarHBondContact CA-O 3.43Å; P140-F388 HydrophobicContact CB-CB 3.78Å; T141-F388 PolarHBondContact N-O 2.84Å; T141-F388 WeakPolarHBondContact O-CB 3.44Å; T141-F388 WeakPolarHBondContact O-CD1 3.47Å; P203-F388 HydrophobicContact CB-CD1 3.96Å; P203-F388 HydrophobicContact CB-CD2 3.81Å; P203-F388 HydrophobicContact CB-CE1 4.06Å; P203-F388 HydrophobicContact CB-CE2 3.91Å; P203-F388 HydrophobicContact CB-CG 3.84Å; P203-F388 HydrophobicContact CB-CZ 4.04Å; P203-F388 HydrophobicContact CG-CB 3.74Å; P203-F388 HydrophobicContact CG-CD1 3.99Å; P203-F388 HydrophobicContact CG-CD2 3.79Å; P203-F388 HydrophobicContact CG-CE2 4.39Å; P203-F388 HydrophobicContact CG-CG 3.56Å; W358-F388 AromaticContact CH2-CD2 3.8Å; W358-F388 HydrophobicContact CH2-CD2 3.8Å; W358-F388 HydrophobicContact CH2-CE2 4.49Å; W358-F388 AromaticContact CZ3-CD2 3.78Å; W358-F388 HydrophobicContact CZ3-CD2 3.78Å; W358-F388 HydrophobicContact CZ3-CE2 4.03Å; V383-F388 HydrophobicContact CB-CE2 4.08Å; V383-F388 HydrophobicContact CB-CZ 4.19Å; V383-F388 HydrophobicContact CG1-CE2 3.58Å; V383-F388 HydrophobicContact CG1-CZ 3.67Å; G385-F388 PolarHBondContact O-N 3.25Å; G385-F388 VanDerWaalsContact O-N 3.1Å; G386-F388 PolarHBondContact O-N 3.35Å; F388-R400 HydrophobicContact CE2-CB 3.88Å; F388-R400 HydrophobicContact CZ-CB 4.18Å
389M96.9Very high96.4Very high55 Ų5550.1 Ų50.127%0.27128%0.281SS..SBendtrans-88153.4176.9-54.8-53.7-67.100110P140 L146 G386 D391 C396P140-M389 HydrophobicContact CB-SD 3.84Å; L146-M389 WeakPolarHBondContact CD1-O 3.48Å; G386-M389 WeakPolarHBondContact O-CB 3.38Å; G386-M389 PolarHBondContact O-N 3.24Å; M389-D391 VanDerWaalsContact C-N 3.33Å; M389-D391 WeakPolarHBondContact CB-O 3.29Å; M389-D391 PolarHBondContact O-N 3.29Å; M389-C396 HydrophobicContact CG-CB 4.48Å
390I95.9Very high96.5Very high51 Ų5145.3 Ų45.326%0.26226%0.257SS..SBendtrans-59.2-47.8178.8-64170.5000110.5L137 A139 L146 I156 N158L137-I390 HydrophobicContact CD1-CD1 4.35Å; L137-I390 HydrophobicContact CD1-CG1 4.47Å; A139-I390 HydrophobicContact CB-CD1 4.26Å; A139-I390 HydrophobicContact CB-CG1 4.13Å; L146-I390 HydrophobicContact CD2-CG1 4.3Å; I156-I390 HydrophobicContact CB-CD1 4.32Å; I156-I390 HydrophobicContact CB-CG2 4.19Å; I156-I390 HydrophobicContact CG2-CD1 3.65Å; I156-I390 HydrophobicContact CG2-CG1 3.95Å; I156-I390 HydrophobicContact CG2-CG2 4.42Å; N158-I390 HydrophobicContact CB-CD1 3.81Å
391D94.1Very high96.6Very high76 Ų7645.1 Ų45.141%0.40626%0.257SS..SBendtrans-99.7110.1167.3-167.7-24.7000108.7M389 S393 D394M389-D391 VanDerWaalsContact C-N 3.33Å; M389-D391 WeakPolarHBondContact CB-O 3.29Å; M389-D391 PolarHBondContact O-N 3.29Å; D391-S393 VanDerWaalsContact CG-OG 3.32Å; D391-S393 PolarHBondContact O-N 2.98Å; D391-S393 VanDerWaalsContact OD1-CB 3.31Å; D391-S393 WeakPolarHBondContact OD1-CB 3.49Å; D391-S393 PolarHBondContact OD1-N 3.33Å; D391-S393 PolarHBondContact OD1-OG 2.83Å; D391-S393 PolarHBondContact OD2-OG 3.03Å; D391-D394 PolarHBondContact O-N 3.31Å
392S92.2Very high96.7Very high83 Ų8341.1 Ų41.158%0.5824%0.242SC*.THydrogen-bonded Turntrans-77.2-4.5-179.562.20000113.7G386G386-S392 WeakPolarHBondContact O-CA 3.38Å; G386-S392 WeakPolarHBondContact O-CB 3.17Å
393S92.3Very high96.7Very high92 Ų9240.5 Ų40.564%0.64324%0.238SC*.THydrogen-bonded Turntrans-87.7-15.6175.5730000113.2D391D391-S393 VanDerWaalsContact CG-OG 3.32Å; D391-S393 PolarHBondContact O-N 2.98Å; D391-S393 VanDerWaalsContact OD1-CB 3.31Å; D391-S393 WeakPolarHBondContact OD1-CB 3.49Å; D391-S393 PolarHBondContact OD1-N 3.33Å; D391-S393 PolarHBondContact OD1-OG 2.83Å; D391-S393 PolarHBondContact OD2-OG 3.03Å
394D93.1Very high96.7Very high91 Ų9139.6 Ų39.649%0.48723%0.234SC..SBendtrans-67134.4175.8-79.2-20.8000111.1D391 C396D391-D394 PolarHBondContact O-N 3.31Å; D394-C396 PolarHBondContact O-N 3.16Å
395P96.3Very high96.7Very high91 Ų9146.8 Ų46.859%0.59127%0.271SS*.  trans-53.8127174-27.835.5000111.8D366D366-P395 HydrophobicContact CB-CB 4.13Å
396C97.6Very high96.6Very high5 Ų548.9 Ų48.93%0.03429%0.286CS..  trans-128.4117-178.1-173.10000111.5A365 T367 M389 D394 Y398A365-C396 CarbonylContact O-C 3.36Å; A365-C396 PolarHBondContact O-N 2.63Å; T367-C396 WeakPolarHBondContact CG2-O 3.33Å; T367-C396 PolarHBondContact N-O 3.27Å; T367-C396 PolarHBondContact OG1-O 3.01Å; M389-C396 HydrophobicContact CG-CB 4.48Å; D394-C396 PolarHBondContact O-N 3.16Å; C396-Y398 PolarHBondContact O-N 3.07Å; C396-Y398 VanDerWaalsContact O-N 3.16Å
397P97.4Very high96.6Very high29 Ų2951.4 Ų51.419%0.18830%0.3CS..  trans-79.47.2-177.534.3-38.6000113.2K360 L361 V364 T367K360-P397 HydrophobicContact CG-CB 4.25Å; K360-P397 HydrophobicContact CG-CG 4.12Å; L361-P397 PolarHBondContact N-O 3.09Å; V364-P397 WeakPolarHBondContact O-CB 3.21Å; T367-P397 VanDerWaalsContact CG2-C 3.4Å; T367-P397 WeakPolarHBondContact CG2-O 3.48Å
398Y98.1Very high96.7Very high75 Ų7551.4 Ų51.429%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-102.7158.2-172.4-70.6-96.8000113.3W358 M359 K360 T367 G385 C396W358-Y398 AromaticContact CD1-CD1 3.62Å; W358-Y398 AromaticContact CD1-CE1 3.86Å; W358-Y398 HydrophobicContact CD2-CD1 4.03Å; W358-Y398 HydrophobicContact CD2-CG 4.44Å; W358-Y398 VanDerWaalsContact CE2-CB 3.48Å; W358-Y398 AromaticContact CE2-CD1 3.38Å; W358-Y398 AromaticContact CE2-CG 3.57Å; W358-Y398 HydrophobicContact CG-CD1 4.21Å; W358-Y398 VanDerWaalsContact CH2-CB 3.43Å; W358-Y398 HydrophobicContact CH2-CG 4.32Å; W358-Y398 AromaticContact CZ2-CD1 3.87Å; W358-Y398 HydrophobicContact CZ2-CD1 3.87Å; W358-Y398 HydrophobicContact CZ2-CD2 4.25Å; W358-Y398 AromaticContact CZ2-CG 3.52Å; W358-Y398 HydrophobicContact CZ2-CG 3.52Å; W358-Y398 AromaticContact NE1-CD1 3.04Å; W358-Y398 AromaticContact NE1-CE1 3.42Å; W358-Y398 AromaticContact NE1-CG 3.63Å; M359-Y398 CarbonylContact O-C 3.51Å; M359-Y398 WeakPolarHBondContact O-CA 3.46Å; K360-Y398 HydrophobicContact CB-CD1 3.76Å; K360-Y398 HydrophobicContact CB-CE1 3.45Å; K360-Y398 VanDerWaalsContact CB-CE1 3.45Å; K360-Y398 HydrophobicContact CB-CE2 4.4Å; K360-Y398 HydrophobicContact CB-CG 4.38Å; K360-Y398 HydrophobicContact CD-CE1 4.34Å; K360-Y398 HydrophobicContact CD-CE2 4.22Å; K360-Y398 HydrophobicContact CG-CD1 4.31Å; K360-Y398 HydrophobicContact CG-CD2 4.39Å; K360-Y398 HydrophobicContact CG-CE1 3.96Å; K360-Y398 HydrophobicContact CG-CE2 3.99Å; T367-Y398 WeakPolarHBondContact CG2-O 3.47Å; T367-Y398 PolarHBondContact OG1-O 3.26Å; G385-Y398 VanDerWaalsContact CA-O 3.24Å; G385-Y398 WeakPolarHBondContact CA-O 3.3Å; G385-Y398 PolarHBondContact N-O 2.95Å; C396-Y398 PolarHBondContact O-N 3.07Å; C396-Y398 VanDerWaalsContact O-N 3.16Å
399V98.2Very high96.7Very high0 Ų057.7 Ų57.70%033%0.331CS..EExtended strand (participates in β ladder)trans-137.5148.3169.2-64.10000111.2W358 M359 L361 T367 I371 L382 V383W358-V399 VanDerWaalsContact CZ3-C 3.48Å; M359-V399 HydrophobicContact CB-CG2 4.11Å; M359-V399 HydrophobicContact CE-CG2 3.64Å; M359-V399 PolarHBondContact N-O 3.36Å; M359-V399 PolarHBondContact O-N 2.89Å; L361-V399 HydrophobicContact CD1-CG1 4.01Å; L361-V399 HydrophobicContact CD1-CG2 4.39Å; L361-V399 HydrophobicContact CD2-CG2 3.95Å; L361-V399 HydrophobicContact CG-CG1 4.4Å; L361-V399 HydrophobicContact CG-CG2 4.2Å; T367-V399 HydrophobicContact CG2-CG1 3.78Å; I371-V399 HydrophobicContact CD1-CG1 3.92Å; I371-V399 HydrophobicContact CG1-CG1 3.72Å; L382-V399 HydrophobicContact CB-CB 4.31Å; L382-V399 HydrophobicContact CD2-CB 4.41Å; L382-V399 HydrophobicContact CD2-CG2 4.09Å; V383-V399 CarbonylContact O-C 3.59Å; V383-V399 WeakPolarHBondContact O-CA 3.34Å
400R98.6Very high96.8Very high44 Ų4460.3 Ų60.317%0.16634%0.343CS..EExtended strand (participates in β ladder)trans-103.8123.2171.8-165.6-167.571.5-171.9-3.7110.7N202 P203 F356 W358 V383 F388N202-R400 PolarHBondContact ND2-NH1 3.08Å; N202-R400 PolarHBondContact OD1-NH1 3.33Å; P203-R400 HydrophobicContact CB-CB 4.12Å; P203-R400 HydrophobicContact CB-CG 3.82Å; F356-R400 HydrophobicContact CB-CG 3.89Å; F356-R400 HydrophobicContact CD1-CG 4.08Å; F356-R400 HydrophobicContact CG-CG 4.05Å; W358-R400 HydrophobicContact CE3-CB 3.76Å; W358-R400 HydrophobicContact CE3-CG 4.36Å; W358-R400 HydrophobicContact CZ3-CB 3.82Å; V383-R400 HydrophobicContact CB-CB 4.26Å; V383-R400 PolarHBondContact N-O 3.12Å; V383-R400 VanDerWaalsContact N-O 3.15Å; V383-R400 PolarHBondContact O-N 3Å; F388-R400 HydrophobicContact CE2-CB 3.88Å; F388-R400 HydrophobicContact CZ-CB 4.18Å
401A98.4Very high96.9Very high7 Ų758 Ų586%0.05833%0.331CS..EExtended strand (participates in β ladder)trans-102.8139.916800000110.1M333 F356 L357 M359 L382 F415M333-A401 HydrophobicContact CE-CB 4.2Å; M333-A401 HydrophobicContact SD-CB 4.35Å; F356-A401 CarbonylContact C-O 3.24Å; F356-A401 VanDerWaalsContact CA-O 3.29Å; F356-A401 WeakPolarHBondContact CA-O 3.19Å; L357-A401 HydrophobicContact CB-CB 4.44Å; L357-A401 PolarHBondContact N-O 3.3Å; L357-A401 PolarHBondContact O-N 3Å; M359-A401 HydrophobicContact CE-CB 4.08Å; L382-A401 HydrophobicContact CD2-CB 3.78Å; A401-F415 HydrophobicContact CB-CE1 4.24Å; A401-F415 HydrophobicContact CB-CZ 4.23Å
402A98.4Very high97.1Very high40 Ų4056.5 Ų56.533%0.33132%0.323SS..EExtended strand (participates in β ladder)trans-106.6138.6173.800000110.4M333 M355 F356M333-A402 WeakPolarHBondContact CE-O 3.41Å; M355-A402 WeakPolarHBondContact O-CA 3.49Å; F356-A402 HydrophobicContact CD1-CB 3.76Å; F356-A402 HydrophobicContact CE1-CB 3.81Å
403F98.3Very high97.4Very high0 Ų055.2 Ų55.20%031%0.308CS..  trans-109.416.4176.850.9-99000112.9F238 Y326 Q329 R330 M333 P351 M355 F356 I411F238-F403 HydrophobicContact CE2-CZ 4.49Å; F238-F403 HydrophobicContact CZ-CE2 4.09Å; F238-F403 AromaticContact CZ-CZ 3.97Å; F238-F403 HydrophobicContact CZ-CZ 3.97Å; Y326-F403 HydrophobicContact CD1-CD2 4.29Å; Y326-F403 HydrophobicContact CD1-CE2 4.14Å; Q329-F403 HydrophobicContact CB-CB 4.26Å; Q329-F403 HydrophobicContact CB-CD2 3.81Å; Q329-F403 HydrophobicContact CB-CG 4.48Å; Q329-F403 VanDerWaalsContact CB-O 3.31Å; Q329-F403 WeakPolarHBondContact CB-O 3.39Å; Q329-F403 PolarHBondContact NE2-O 3.04Å; R330-F403 HydrophobicContact CB-CD2 4.24Å; R330-F403 HydrophobicContact CB-CE1 4.35Å; R330-F403 HydrophobicContact CB-CE2 3.71Å; R330-F403 HydrophobicContact CB-CZ 3.77Å; R330-F403 HydrophobicContact CG-CE1 4.38Å; R330-F403 HydrophobicContact CG-CE2 4.46Å; R330-F403 HydrophobicContact CG-CZ 4.02Å; M333-F403 HydrophobicContact CB-CB 4.06Å; M333-F403 HydrophobicContact CB-CD1 4.3Å; M333-F403 HydrophobicContact CB-CG 4.44Å; M333-F403 HydrophobicContact CE-CB 3.61Å; M333-F403 HydrophobicContact CG-CB 4.37Å; M333-F403 HydrophobicContact CG-CD1 4.21Å; P351-F403 HydrophobicContact CG-CE1 3.91Å; P351-F403 HydrophobicContact CG-CZ 4.12Å; M355-F403 VanDerWaalsContact C-CZ 3.45Å; M355-F403 VanDerWaalsContact CA-CE2 3.5Å; M355-F403 HydrophobicContact CB-CE2 4.32Å; M355-F403 PolarHBondContact O-N 3.32Å; M355-F403 VanDerWaalsContact O-N 3.15Å; F356-F403 VanDerWaalsContact N-CE1 3.28Å; F403-I411 HydrophobicContact CB-CD1 4.41Å
404S97.5Very high97.6Very high24 Ų2452.1 Ų52.117%0.16829%0.288CS..SBendtrans-77.9-24.6-173.359.90000115.4
405L97.1Very high97.9Very high156 Ų15648 Ų4882%0.81727%0.266SS*.SBendtrans-127.2-35.9-170.2-62.9177.3000114
406S96.8Very high97.9Very high44 Ų4447.3 Ų47.331%0.30825%0.251SS..  trans-69.5143.4-175.1-570000112.2Q329Q329-S406 PolarHBondContact NE2-O 3.19Å
407T98Very high97.9Very high58 Ų5850.3 Ų50.336%0.35626%0.262SS..  trans-73160.8172.478.80000111.1E409 Q410 I411T407-E409 VanDerWaalsContact CB-OE2 3.26Å; T407-E409 WeakPolarHBondContact CB-OE2 3.3Å; T407-E409 PolarHBondContact O-N 3.45Å; T407-E409 PolarHBondContact OG1-N 3.43Å; T407-E409 PolarHBondContact OG1-OE2 2.92Å; T407-Q410 PolarHBondContact O-N 3.07Å; T407-Q410 VanDerWaalsContact O-N 3.11Å; T407-Q410 PolarHBondContact OG1-N 3.24Å; T407-I411 WeakPolarHBondContact O-CG1 3.26Å; T407-I411 PolarHBondContact O-N 3.37Å
408P97.3Very high97.8Very high57 Ų5749 Ų4937%0.3725%0.253SS..Hα-helixtrans-52.7-36.4174.2-29.237.6000114A332 I411 D412A332-P408 HydrophobicContact CB-CB 4.11Å; A332-P408 HydrophobicContact CB-CG 4.17Å; P408-I411 PolarHBondContact O-N 3.31Å; P408-D412 PolarHBondContact O-N 3.04Å
409E98.2Very high97.7Very high134 Ų13445.6 Ų45.663%0.62624%0.24SC*.Hα-helixtrans-69.8-40.8178.3-5771.1-153.200111.7T407 I411 D412 E413T407-E409 VanDerWaalsContact CB-OE2 3.26Å; T407-E409 WeakPolarHBondContact CB-OE2 3.3Å; T407-E409 PolarHBondContact O-N 3.45Å; T407-E409 PolarHBondContact OG1-N 3.43Å; T407-E409 PolarHBondContact OG1-OE2 2.92Å; E409-I411 VanDerWaalsContact C-N 3.34Å; E409-D412 PolarHBondContact O-N 3.29Å; E409-E413 WeakPolarHBondContact O-CB 3.23Å; E409-E413 PolarHBondContact O-N 2.91Å
410Q98.4Very high97.5Very high109 Ų10949.4 Ų49.451%0.50926%0.26SS..Hα-helixtrans-66-38.9175.2-70175.4-32.400111.5T407 A414T407-Q410 PolarHBondContact O-N 3.07Å; T407-Q410 VanDerWaalsContact O-N 3.11Å; T407-Q410 PolarHBondContact OG1-N 3.24Å; Q410-A414 VanDerWaalsContact O-CB 3.22Å; Q410-A414 WeakPolarHBondContact O-CB 3.44Å; Q410-A414 PolarHBondContact O-N 3.09Å
411I98.3Very high97.2Very high3 Ų347.7 Ų47.72%0.01525%0.254CS..Hα-helixtrans-60.8-48.7173.5-71.6170.7000110.1M333 F403 T407 P408 E409 E413 A414 F415M333-I411 HydrophobicContact CB-CG2 4.37Å; M333-I411 HydrophobicContact CE-CD1 4.04Å; M333-I411 HydrophobicContact CE-CG1 3.93Å; M333-I411 HydrophobicContact CE-CG2 4.23Å; M333-I411 HydrophobicContact SD-CG2 3.74Å; F403-I411 HydrophobicContact CB-CD1 4.41Å; T407-I411 WeakPolarHBondContact O-CG1 3.26Å; T407-I411 PolarHBondContact O-N 3.37Å; P408-I411 PolarHBondContact O-N 3.31Å; E409-I411 VanDerWaalsContact C-N 3.34Å; I411-E413 PolarHBondContact O-N 2.9Å; I411-A414 PolarHBondContact O-N 2.95Å; I411-F415 PolarHBondContact O-N 3.34Å; I411-F415 VanDerWaalsContact O-N 3.11Å
412D98.1Very high96.9Very high44 Ų4447.3 Ų47.324%0.23525%0.251CS..Hα-helixtrans-59.2-47.2179-16567.8000112.7S336 K339 W340 P408 E409 F415 R416S336-D412 VanDerWaalsContact OG-CA 3.28Å; S336-D412 WeakPolarHBondContact OG-CA 3.37Å; K339-D412 WeakPolarHBondContact CD-OD1 3.47Å; K339-D412 VanDerWaalsContact NZ-CG 3.27Å; K339-D412 IonicContact NZ-OD1 2.98Å; K339-D412 PolarHBondContact NZ-OD1 2.75Å; K339-D412 IonicContact NZ-OD2 2.88Å; K339-D412 PolarHBondContact NZ-OD2 3.45Å; W340-D412 VanDerWaalsContact NE1-CG 3.3Å; W340-D412 PolarHBondContact NE1-O 3.42Å; W340-D412 PolarHBondContact NE1-OD1 3.26Å; W340-D412 PolarHBondContact NE1-OD2 3.13Å; P408-D412 PolarHBondContact O-N 3.04Å; E409-D412 PolarHBondContact O-N 3.29Å; D412-F415 PolarHBondContact O-N 3.1Å; D412-R416 WeakPolarHBondContact O-CB 3.11Å; D412-R416 PolarHBondContact O-N 2.87Å
413E98.4Very high96.4Very high57 Ų5750.3 Ų50.327%0.26626%0.257SS..Hα-helixtrans-67.5-38.1179.5-178.959.9-171.800112.3E409 I411 R416 R417E409-E413 WeakPolarHBondContact O-CB 3.23Å; E409-E413 PolarHBondContact O-N 2.91Å; I411-E413 PolarHBondContact O-N 2.9Å; E413-R416 PolarHBondContact O-N 3.07Å; E413-R416 IonicContact OE1-CZ 2.76Å; E413-R416 IonicContact OE1-NE 3.43Å; E413-R416 IonicContact OE1-NH2 3.53Å; E413-R416 PolarHBondContact OE1-NH2 3.25Å; E413-R416 IonicContact OE2-CZ 3.64Å; E413-R416 IonicContact OE2-NE 2.72Å; E413-R416 PolarHBondContact OE2-NE 2.67Å; E413-R416 IonicContact OE2-NH2 3.41Å; E413-R416 PolarHBondContact OE2-NH2 3.37Å; E413-R417 WeakPolarHBondContact O-CB 3.27Å; E413-R417 VanDerWaalsContact O-CG 3.29Å; E413-R417 WeakPolarHBondContact O-CG 3.26Å; E413-R417 PolarHBondContact O-N 2.94Å; E413-R417 IonicContact OE1-CZ 2.72Å; E413-R417 IonicContact OE1-NE 2.93Å; E413-R417 PolarHBondContact OE1-NE 2.93Å; E413-R417 IonicContact OE1-NH2 3.53Å; E413-R417 PolarHBondContact OE1-NH2 2.78Å
414A98.1Very high95.9Very high27 Ų2756.1 Ų56.122%0.22328%0.284CS..Hα-helixtrans-62-44.9177.100000111.9V380 Q410 I411 R417 L418V380-A414 HydrophobicContact CG1-CB 4.19Å; V380-A414 HydrophobicContact CG2-CB 4.41Å; Q410-A414 VanDerWaalsContact O-CB 3.22Å; Q410-A414 WeakPolarHBondContact O-CB 3.44Å; Q410-A414 PolarHBondContact O-N 3.09Å; I411-A414 PolarHBondContact O-N 2.95Å; A414-R417 PolarHBondContact O-N 3.44Å; A414-L418 WeakPolarHBondContact O-CB 3.26Å; A414-L418 PolarHBondContact O-N 3.3Å
415F97.9Very high95Very high5 Ų557.1 Ų57.12%0.02229%0.294CS..Hα-helixtrans-74-31.3178.1-75.4-8000113.6M333 S336 A337 W340 L341 L357 M359 A401 I411 D412 L418 S419M333-F415 HydrophobicContact CG-CE2 4.11Å; M333-F415 HydrophobicContact CG-CZ 4.21Å; M333-F415 WeakPolarHBondContact O-CE2 3.48Å; M333-F415 HydrophobicContact SD-CD2 4.31Å; M333-F415 HydrophobicContact SD-CE1 4.02Å; M333-F415 HydrophobicContact SD-CE2 3.28Å; M333-F415 WeakPolarHBondContact SD-CE2 3.33Å; M333-F415 HydrophobicContact SD-CZ 3.13Å; M333-F415 WeakPolarHBondContact SD-CZ 3.48Å; S336-F415 WeakPolarHBondContact OG-CD2 3.32Å; A337-F415 HydrophobicContact CB-CD2 4.08Å; A337-F415 HydrophobicContact CB-CE2 3.72Å; W340-F415 HydrophobicContact CB-CB 4.05Å; W340-F415 HydrophobicContact CG-CB 4.4Å; L341-F415 HydrophobicContact CD1-CB 4.45Å; L341-F415 HydrophobicContact CD1-CD1 3.92Å; L341-F415 HydrophobicContact CD1-CD2 3.93Å; L341-F415 HydrophobicContact CD1-CE1 4.01Å; L341-F415 HydrophobicContact CD1-CE2 4.02Å; L341-F415 HydrophobicContact CD1-CG 3.86Å; L341-F415 HydrophobicContact CD1-CZ 4.03Å; L341-F415 HydrophobicContact CD2-CB 4.42Å; L341-F415 HydrophobicContact CG-CB 4.27Å; L341-F415 HydrophobicContact CG-CD2 4.38Å; L341-F415 HydrophobicContact CG-CG 4.2Å; L357-F415 HydrophobicContact CD2-CE2 4.28Å; L357-F415 HydrophobicContact CD2-CZ 4.08Å; M359-F415 HydrophobicContact CE-CE1 3.71Å; M359-F415 HydrophobicContact CE-CZ 3.91Å; M359-F415 HydrophobicContact SD-CE1 4.08Å; M359-F415 HydrophobicContact SD-CE2 4.49Å; M359-F415 HydrophobicContact SD-CZ 3.73Å; A401-F415 HydrophobicContact CB-CE1 4.24Å; A401-F415 HydrophobicContact CB-CZ 4.23Å; I411-F415 PolarHBondContact O-N 3.34Å; I411-F415 VanDerWaalsContact O-N 3.11Å; D412-F415 PolarHBondContact O-N 3.1Å; F415-L418 HydrophobicContact CD1-CD2 4.35Å; F415-S419 VanDerWaalsContact O-CB 3.26Å; F415-S419 WeakPolarHBondContact O-CB 3.47Å; F415-S419 PolarHBondContact O-N 3.43Å
416R97.3Very high93.9Very high76 Ų7656.1 Ų56.129%0.28729%0.288SS..Hα-helixtrans-58.4-50.6168.5-171.4-173.473.873.63.3111.3W340 D412 E413 S419 L420W340-R416 HydrophobicContact CD2-CB 3.79Å; W340-R416 HydrophobicContact CD2-CG 3.98Å; W340-R416 HydrophobicContact CE3-CB 4.17Å; W340-R416 HydrophobicContact CE3-CG 3.87Å; W340-R416 HydrophobicContact CG-CB 4.23Å; W340-R416 HydrophobicContact CH2-CB 4.29Å; W340-R416 HydrophobicContact CH2-CG 3.57Å; W340-R416 HydrophobicContact CZ2-CB 3.88Å; W340-R416 HydrophobicContact CZ2-CG 3.65Å; W340-R416 HydrophobicContact CZ3-CB 4.42Å; W340-R416 HydrophobicContact CZ3-CG 3.69Å; D412-R416 WeakPolarHBondContact O-CB 3.11Å; D412-R416 PolarHBondContact O-N 2.87Å; E413-R416 PolarHBondContact O-N 3.07Å; E413-R416 IonicContact OE1-CZ 2.76Å; E413-R416 IonicContact OE1-NE 3.43Å; E413-R416 IonicContact OE1-NH2 3.53Å; E413-R416 PolarHBondContact OE1-NH2 3.25Å; E413-R416 IonicContact OE2-CZ 3.64Å; E413-R416 IonicContact OE2-NE 2.72Å; E413-R416 PolarHBondContact OE2-NE 2.67Å; E413-R416 IonicContact OE2-NH2 3.41Å; E413-R416 PolarHBondContact OE2-NH2 3.37Å; R416-S419 PolarHBondContact O-N 3.37Å; R416-L420 WeakPolarHBondContact O-CG 3.31Å; R416-L420 PolarHBondContact O-N 3.41Å; R416-L420 VanDerWaalsContact O-N 3.11Å
417R96.9Very high93.7Very high68 Ų6856.7 Ų56.726%0.25729%0.287SS..Hα-helixtrans-63.2-43.4179.4-73.2167179-1550.6112K378 E379 V380 E413 A414 L420 L421K378-R417 WeakPolarHBondContact O-CD 3.43Å; K378-R417 PolarHBondContact O-NH1 2.75Å; E379-R417 VanDerWaalsContact CB-NH1 3.27Å; E379-R417 IonicContact OE2-CZ 2.69Å; E379-R417 IonicContact OE2-NH1 3.39Å; E379-R417 PolarHBondContact OE2-NH1 3.13Å; E379-R417 IonicContact OE2-NH2 3.32Å; E379-R417 PolarHBondContact OE2-NH2 3.36Å; V380-R417 HydrophobicContact CG2-CB 3.5Å; V380-R417 VanDerWaalsContact CG2-CB 3.5Å; V380-R417 HydrophobicContact CG2-CG 4.21Å; E413-R417 WeakPolarHBondContact O-CB 3.27Å; E413-R417 VanDerWaalsContact O-CG 3.29Å; E413-R417 WeakPolarHBondContact O-CG 3.26Å; E413-R417 PolarHBondContact O-N 2.94Å; E413-R417 IonicContact OE1-CZ 2.72Å; E413-R417 IonicContact OE1-NE 2.93Å; E413-R417 PolarHBondContact OE1-NE 2.93Å; E413-R417 IonicContact OE1-NH2 3.53Å; E413-R417 PolarHBondContact OE1-NH2 2.78Å; A414-R417 PolarHBondContact O-N 3.44Å; R417-L420 PolarHBondContact O-N 3.26Å; R417-L421 WeakPolarHBondContact O-CB 3.19Å; R417-L421 PolarHBondContact O-N 2.92Å
418L95.9Very high93.5Very high1 Ų156.6 Ų56.61%0.00528%0.284CS..Hα-helixtrans-62-44176.1-178.363000112L341 M359 I371 L382 A414 F415 L420 L421 I422L341-L418 HydrophobicContact CD1-CD2 4.5Å; L341-L418 HydrophobicContact CD2-CD2 4.22Å; L341-L418 HydrophobicContact CD2-CG 4.38Å; M359-L418 HydrophobicContact CE-CD2 4.24Å; I371-L418 HydrophobicContact CD1-CD1 4.23Å; L382-L418 HydrophobicContact CD1-CD1 4.09Å; L382-L418 HydrophobicContact CD1-CD2 4.03Å; L382-L418 HydrophobicContact CD2-CD2 4.29Å; A414-L418 WeakPolarHBondContact O-CB 3.26Å; A414-L418 PolarHBondContact O-N 3.3Å; F415-L418 HydrophobicContact CD1-CD2 4.35Å; L418-L420 PolarHBondContact O-N 3.47Å; L418-L421 PolarHBondContact O-N 3.39Å; L418-I422 HydrophobicContact CD1-CD1 3.99Å; L418-I422 HydrophobicContact CD1-CG1 4.34Å; L418-I422 HydrophobicContact CG-CD1 3.84Å; L418-I422 WeakPolarHBondContact O-CG1 3.21Å; L418-I422 PolarHBondContact O-N 3.33Å
419S95.1Very high93.3Very high3 Ų356.6 Ų56.62%0.02128%0.279CS..Hα-helixtrans-60.2-45.4177.6-175.60000112.2W340 F415 R416 I422 K423W340-S419 VanDerWaalsContact O-CB 3.23Å; W340-S419 WeakPolarHBondContact O-CB 3.25Å; W340-S419 PolarHBondContact O-OG 3.43Å; F415-S419 VanDerWaalsContact O-CB 3.26Å; F415-S419 WeakPolarHBondContact O-CB 3.47Å; F415-S419 PolarHBondContact O-N 3.43Å; R416-S419 PolarHBondContact O-N 3.37Å; S419-I422 PolarHBondContact O-N 2.77Å; S419-K423 WeakPolarHBondContact O-CG 3.49Å; S419-K423 PolarHBondContact O-N 2.8Å; S419-K423 VanDerWaalsContact O-N 3.1Å
420L93.8Very high93Very high81 Ų8152.1 Ų52.142%0.42426%0.259SS..Hα-helixtrans-61.9-45.2175.9-70.5173.9000111.6R416 R417 L418 I422 K423 E424R416-L420 WeakPolarHBondContact O-CG 3.31Å; R416-L420 PolarHBondContact O-N 3.41Å; R416-L420 VanDerWaalsContact O-N 3.11Å; R417-L420 PolarHBondContact O-N 3.26Å; L418-L420 PolarHBondContact O-N 3.47Å; L420-I422 PolarHBondContact O-N 2.7Å; L420-K423 PolarHBondContact O-N 3.26Å; L420-E424 WeakPolarHBondContact O-CG 3.36Å; L420-E424 PolarHBondContact O-N 3.09Å
421L93.5Very high92.7Very high7 Ų748.5 Ų48.54%0.03724%0.243CC..Hα-helixtrans-59.4-44.9178.1172.563.8000112.4L370 K374 A375 R417 L418 K423 E424 A425L370-L421 HydrophobicContact CD1-CD1 4.14Å; L370-L421 HydrophobicContact CD1-CD2 3.89Å; L370-L421 HydrophobicContact CD1-CG 3.88Å; L370-L421 HydrophobicContact CG-CD2 4.22Å; K374-L421 HydrophobicContact CB-CD1 3.6Å; K374-L421 HydrophobicContact CB-CD2 4.09Å; K374-L421 HydrophobicContact CB-CG 4.47Å; K374-L421 HydrophobicContact CD-CD1 4.2Å; A375-L421 HydrophobicContact CB-CD2 3.74Å; R417-L421 WeakPolarHBondContact O-CB 3.19Å; R417-L421 PolarHBondContact O-N 2.92Å; L418-L421 PolarHBondContact O-N 3.39Å; L421-K423 VanDerWaalsContact C-N 3.33Å; L421-K423 PolarHBondContact O-N 2.95Å; L421-E424 PolarHBondContact O-N 2.81Å; L421-A425 WeakPolarHBondContact O-CB 3.5Å; L421-A425 PolarHBondContact O-N 3.2Å; L421-A425 VanDerWaalsContact O-N 3.11Å
422I90.8Very high92.3Very high0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-64.9-41.3180-66.7162.9000110.1V345 L361 L370 L418 S419 L420 E424 A425 L426V345-I422 HydrophobicContact CG1-CB 4.1Å; V345-I422 HydrophobicContact CG1-CD1 3.49Å; V345-I422 VanDerWaalsContact CG1-CD1 3.49Å; V345-I422 HydrophobicContact CG1-CG1 4.41Å; V345-I422 HydrophobicContact CG1-CG2 4.04Å; L361-I422 HydrophobicContact CD1-CD1 3.92Å; L361-I422 HydrophobicContact CD1-CG1 4.37Å; L361-I422 HydrophobicContact CD2-CD1 3.78Å; L361-I422 HydrophobicContact CG-CD1 4.28Å; L370-I422 HydrophobicContact CD2-CG1 4.43Å; L418-I422 HydrophobicContact CD1-CD1 3.99Å; L418-I422 HydrophobicContact CD1-CG1 4.34Å; L418-I422 HydrophobicContact CG-CD1 3.84Å; L418-I422 WeakPolarHBondContact O-CG1 3.21Å; L418-I422 PolarHBondContact O-N 3.33Å; S419-I422 PolarHBondContact O-N 2.77Å; L420-I422 PolarHBondContact O-N 2.7Å; I422-E424 VanDerWaalsContact C-N 3.31Å; I422-E424 PolarHBondContact O-N 2.84Å; I422-A425 PolarHBondContact O-N 3.32Å; I422-A425 VanDerWaalsContact O-N 3.1Å; I422-L426 HydrophobicContact CG2-CD1 3.94Å; I422-L426 HydrophobicContact CG2-CG 4.3Å; I422-L426 WeakPolarHBondContact O-CG 3.45Å; I422-L426 PolarHBondContact O-N 2.81Å
423K88.8Confident91.9Very high102 Ų10252.1 Ų52.144%0.44326%0.26SS..Hα-helixtrans-68-26176.7-71.1174.4179.7176.10114.2S419 L420 L421S419-K423 WeakPolarHBondContact O-CG 3.49Å; S419-K423 PolarHBondContact O-N 2.8Å; S419-K423 VanDerWaalsContact O-N 3.1Å; L420-K423 PolarHBondContact O-N 3.26Å; L421-K423 VanDerWaalsContact C-N 3.33Å; L421-K423 PolarHBondContact O-N 2.95Å
424E87.7Confident91.4Very high122 Ų12251.7 Ų51.757%0.5726%0.259SS*.Hα-helixtrans-77.4-22.7171.7-73.4170.6-16500112.2K378 L420 L421 I422K378-E424 IonicContact NZ-OE1 2.9Å; K378-E424 PolarHBondContact NZ-OE1 2.92Å; K378-E424 IonicContact NZ-OE2 3.89Å; K378-E424 PolarHBondContact NZ-OE2 3.48Å; L420-E424 WeakPolarHBondContact O-CG 3.36Å; L420-E424 PolarHBondContact O-N 3.09Å; L421-E424 PolarHBondContact O-N 2.81Å; I422-E424 VanDerWaalsContact C-N 3.31Å; I422-E424 PolarHBondContact O-N 2.84Å
425A79.6Confident90.8Very high46 Ų4653.8 Ų53.838%0.3826%0.262SS..Hα-helixtrans-95.4-18.3-176.400000114.2L370 L421 I422L370-A425 HydrophobicContact CD1-CB 4.33Å; L421-A425 WeakPolarHBondContact O-CB 3.5Å; L421-A425 PolarHBondContact O-N 3.2Å; L421-A425 VanDerWaalsContact O-N 3.11Å; I422-A425 PolarHBondContact O-N 3.32Å; I422-A425 VanDerWaalsContact O-N 3.1Å
426L72.6Confident90.2Very high134 Ų13458.2 Ų58.270%0.70228%0.284SS*.  trans-88.80169.4-63.1175.3000110.1I422I422-L426 HydrophobicContact CG2-CD1 3.94Å; I422-L426 HydrophobicContact CG2-CG 4.3Å; I422-L426 WeakPolarHBondContact O-CG 3.45Å; I422-L426 PolarHBondContact O-N 2.81Å

Retrieved 426 of 426 residues in 137.4 ms (Link to these results)

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