G4VKT0_SCHMA Loading...

Putative marvel-containing potential lipid raft-associated protein

AlphaFold DB , UniProt , Accession G4VKT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 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
1M43.1Very low46.8Very low239 Ų239151.3 Ų151.3100%1.17783%0.831SS**  095.80-84.3-177.9168.200105.9R3M1-R3 PolarHBondContact O-N 3.16Å
2D46.8Very low46.5Very low164 Ų164154.9 Ų154.988%0.87783%0.826SS**  trans-71.1124.8-173.7-60.9-40.6000109.6A4D2-A4 PolarHBondContact O-N 3.44Å; D2-A4 VanDerWaalsContact O-N 3.16Å
3R44.5Very low46.3Very low245 Ų245155.4 Ų155.493%0.92582%0.82SS**  trans-67.9110.5-178.4-172.4175.6-165.2150.92.2108M1M1-R3 PolarHBondContact O-N 3.16Å
4A47.5Very low46.2Very low83 Ų83149.6 Ų149.669%0.68679%0.794SS**PPolyproline II helixtrans-54.5136.3174.900000110.2D2 A6D2-A4 PolarHBondContact O-N 3.44Å; D2-A4 VanDerWaalsContact O-N 3.16Å; A4-A6 PolarHBondContact O-N 2.99Å
5P45.1Very low46.2Very low126 Ų126147.9 Ų147.982%0.81877%0.772SS**PPolyproline II helixtrans-63.2131.7177.324.8-31.6000109.7A7P5-A7 PolarHBondContact O-N 3.2Å; P5-A7 VanDerWaalsContact O-N 3.13Å
6A48.1Very low45.9Very low96 Ų96150.9 Ų150.979%0.79377%0.772SS**PPolyproline II helixtrans-59.8116.4176.900000109.2A4 Y8A4-A6 PolarHBondContact O-N 2.99Å; A6-Y8 PolarHBondContact O-N 3.13Å
7A43.1Very low46.2Very low100 Ų100149.3 Ų149.383%0.82676%0.761SS**PPolyproline II helixtrans-62117.2168.900000107.9P5P5-A7 PolarHBondContact O-N 3.2Å; P5-A7 VanDerWaalsContact O-N 3.13Å
8Y52.7Low46.2Very low201 Ų201148.1 Ų148.179%0.78876%0.762SS**PPolyproline II helixtrans-79.6124.6171.555.7-85.2000107.8A6 T10A6-Y8 PolarHBondContact O-N 3.13Å; Y8-T10 HydrophobicContact CD2-CG2 3.8Å; Y8-T10 HydrophobicContact CE2-CG2 3.79Å; Y8-T10 PolarHBondContact O-N 3.43Å
9E50.7Low46.2Very low180 Ų180145.6 Ų145.684%0.84175%0.754SS**  trans-83.1110.2173.2-169.7168.6-172.300108T11E9-T11 PolarHBondContact O-N 3.11Å
10T47.5Very low46.3Very low105 Ų105143.8 Ų143.864%0.64475%0.746SS**  trans-72.398.2174.543.60000108.9Y8 Y12Y8-T10 HydrophobicContact CD2-CG2 3.8Å; Y8-T10 HydrophobicContact CE2-CG2 3.79Å; Y8-T10 PolarHBondContact O-N 3.43Å; T10-Y12 PolarHBondContact O-N 3.25Å
11T45.7Very low46.4Very low125 Ų125143 Ų14377%0.76775%0.747SS**  trans-70.4104169.9-60.10000108.1E9 E13E9-T11 PolarHBondContact O-N 3.11Å; T11-E13 PolarHBondContact O-N 2.76Å
12Y43.7Very low46.7Very low195 Ų195135.5 Ų135.577%0.76572%0.718SS**  trans-75103.3164.655.6-81.7000107T10 T14T10-Y12 PolarHBondContact O-N 3.25Å; Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 VanDerWaalsContact CD2-OG1 3.25Å; Y12-T14 WeakPolarHBondContact CD2-OG1 3.28Å; Y12-T14 WeakPolarHBondContact CE2-OG1 3.49Å; Y12-T14 PolarHBondContact O-N 3.14Å
13E44Very low47Very low161 Ų161130.1 Ų130.175%0.75269%0.693SS**  trans-68.597.6169.2-163.4-179.3-17300107.2T11 R15T11-E13 PolarHBondContact O-N 2.76Å; E13-R15 PolarHBondContact O-N 2.85Å
14T44.5Very low47.9Very low74 Ų74123 Ų12345%0.45468%0.677SS.*  trans-71.489.4172.8-52.10000106.7Y12 Y16Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 VanDerWaalsContact CD2-OG1 3.25Å; Y12-T14 WeakPolarHBondContact CD2-OG1 3.28Å; Y12-T14 WeakPolarHBondContact CE2-OG1 3.49Å; Y12-T14 PolarHBondContact O-N 3.14Å; T14-Y16 HydrophobicContact CG2-CE1 4.28Å; T14-Y16 HydrophobicContact CG2-CE2 4.34Å; T14-Y16 WeakPolarHBondContact O-CD2 3.21Å; T14-Y16 WeakPolarHBondContact O-CE2 3.25Å; T14-Y16 PolarHBondContact O-N 3.46Å
15R46.2Very low48.7Very low124 Ų124123.3 Ų123.347%0.46867%0.666SS.*  trans-71.199.2179.6-158.6-173.8-126.5-1740.9108.6E13 E17 H171 T173E13-R15 PolarHBondContact O-N 2.85Å; R15-E17 PolarHBondContact O-N 3.33Å; R15-E17 VanDerWaalsContact O-N 3.07Å; R15-H171 PolarHBondContact NH1-ND1 2.94Å; R15-T173 VanDerWaalsContact NH2-CG2 3.31Å
16Y41.6Very low49.9Very low196 Ų196119.7 Ų119.777%0.76964%0.64SS**  trans-67.1104.4170-60.4-83.9000108.5T14 T18T14-Y16 HydrophobicContact CG2-CE1 4.28Å; T14-Y16 HydrophobicContact CG2-CE2 4.34Å; T14-Y16 WeakPolarHBondContact O-CD2 3.21Å; T14-Y16 WeakPolarHBondContact O-CE2 3.25Å; T14-Y16 PolarHBondContact O-N 3.46Å; Y16-T18 PolarHBondContact O-N 3.05Å
17E51.3Low50.9Low124 Ų124119.4 Ų119.458%0.57963%0.628SS**  trans-64.6102.5163.2-172.9173.816800106R15 T19 R91R15-E17 PolarHBondContact O-N 3.33Å; R15-E17 VanDerWaalsContact O-N 3.07Å; E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 2.89Å; E17-T19 PolarHBondContact O-OG1 3.07Å; E17-R91 IonicContact OE1-CZ 3.55Å; E17-R91 IonicContact OE1-NH1 3.7Å; E17-R91 PolarHBondContact OE1-NH1 3.37Å; E17-R91 IonicContact OE1-NH2 3.17Å; E17-R91 IonicContact OE2-NH1 3.18Å; E17-R91 PolarHBondContact OE2-NH1 3.44Å
18T46Very low52.1Low127 Ų127117 Ų11778%0.77961%0.613SS**  trans-53.9107.2166.7-55.10000105.6Y16 D20Y16-T18 PolarHBondContact O-N 3.05Å; T18-D20 PolarHBondContact O-N 3Å
19T46.7Very low53Low102 Ų102107.5 Ų107.563%0.62658%0.576SS**  trans-71.276175.8-56.60000105.8E17 V21E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 2.89Å; E17-T19 PolarHBondContact O-OG1 3.07Å; T19-V21 PolarHBondContact O-N 2.91Å; T19-V21 VanDerWaalsContact O-N 3.09Å
20D47.3Very low54.1Low108 Ų108101.4 Ų101.458%0.57855%0.55SS**  trans-59.3117.7166.3-163.65.4000104.7T18 S22 S23T18-D20 PolarHBondContact O-N 3Å; D20-S22 WeakPolarHBondContact CB-OG 3.49Å; D20-S22 VanDerWaalsContact CG-OG 3.24Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.83Å; D20-S22 PolarHBondContact OD2-OG 2.86Å; D20-S23 WeakPolarHBondContact O-CA 3.46Å; D20-S23 WeakPolarHBondContact O-CB 3.45Å; D20-S23 PolarHBondContact O-N 3.42Å
21V48.1Very low55.5Low128 Ų128106.2 Ų106.278%0.77656%0.557SS**G310 helixtrans-61-7.3-170.8-93.80000113T19 S23T19-V21 PolarHBondContact O-N 2.91Å; T19-V21 VanDerWaalsContact O-N 3.09Å; V21-S23 PolarHBondContact O-N 3.23Å; V21-S23 VanDerWaalsContact O-N 3.16Å
22S49.4Very low57.1Low81 Ų81102 Ų10257%0.56653%0.533SS*.G310 helixtrans-57.9-11.7159.1560000113.8D20 V24D20-S22 WeakPolarHBondContact CB-OG 3.49Å; D20-S22 VanDerWaalsContact CG-OG 3.24Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.83Å; D20-S22 PolarHBondContact OD2-OG 2.86Å; S22-V24 VanDerWaalsContact C-N 3.32Å; S22-V24 PolarHBondContact O-N 3.33Å
23S53.9Low58.8Low51 Ų5198.2 Ų98.236%0.35753%0.525SS..G310 helixtrans-59.1-23.7-175.4166.50000116.2D20 V21D20-S23 WeakPolarHBondContact O-CA 3.46Å; D20-S23 WeakPolarHBondContact O-CB 3.45Å; D20-S23 PolarHBondContact O-N 3.42Å; V21-S23 PolarHBondContact O-N 3.23Å; V21-S23 VanDerWaalsContact O-N 3.16Å
24V63.6Low60.6Low95 Ų9591.7 Ų91.758%0.57650%0.497SS*.G310 helixtrans-72.9-42.5-173.2-171.60000111.6S22 F87S22-V24 VanDerWaalsContact C-N 3.32Å; S22-V24 PolarHBondContact O-N 3.33Å; V24-F87 HydrophobicContact CG1-CD1 4.11Å; V24-F87 HydrophobicContact CG1-CE1 4.32Å; V24-F87 WeakPolarHBondContact O-CD1 3.41Å
25I63.7Low62.5Low90 Ų9088.1 Ų88.146%0.46248%0.475SS..SBendtrans-114.7112.3-176.6-63.6176.2000109.6V27 L86 F87I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 HydrophobicContact CG2-CG2 3.99Å; I25-V27 PolarHBondContact O-N 2.83Å; I25-L86 HydrophobicContact CB-CD2 4.17Å; I25-L86 HydrophobicContact CG1-CD2 3.94Å; I25-L86 HydrophobicContact CG2-CD2 3.66Å; I25-L86 HydrophobicContact CG2-CG 4.26Å; I25-F87 HydrophobicContact CG1-CD1 4.37Å; I25-F87 HydrophobicContact CG1-CE1 3.94Å
26N69.4Low64.5Low51 Ų5186 Ų8627%0.27347%0.472SS..  trans-77.182.7174.1-170.5-13.5000110.5G28 F29 L86N26-G28 PolarHBondContact O-N 3.28Å; N26-G28 WeakPolarHBondContact OD1-CA 3.43Å; N26-G28 PolarHBondContact OD1-N 3.42Å; N26-F29 HydrophobicContact CB-CB 4.17Å; N26-F29 VanDerWaalsContact O-CB 3.31Å; N26-F29 WeakPolarHBondContact O-CB 2.97Å; N26-F29 PolarHBondContact O-N 3.32Å; N26-F29 PolarHBondContact OD1-N 3.06Å; N26-L86 PolarHBondContact N-O 2.67Å
27V69.5Low66.8Low89 Ų8977.9 Ų77.954%0.53944%0.442SS..Hα-helixtrans-61.1-28.1175.7-173.60000111.3I25 F29 V30I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 HydrophobicContact CG2-CG2 3.99Å; I25-V27 PolarHBondContact O-N 2.83Å; V27-F29 PolarHBondContact O-N 2.75Å; V27-V30 PolarHBondContact O-N 2.89Å
28G69.6Low68.6Low49 Ų4972 Ų7251%0.50542%0.415SS..Hα-helixtrans-60.2-34173.800000112.7N26 V30 R31 S32N26-G28 PolarHBondContact O-N 3.28Å; N26-G28 WeakPolarHBondContact OD1-CA 3.43Å; N26-G28 PolarHBondContact OD1-N 3.42Å; G28-V30 PolarHBondContact O-N 3.45Å; G28-R31 PolarHBondContact O-N 2.97Å; G28-S32 PolarHBondContact O-N 2.87Å; G28-S32 VanDerWaalsContact O-N 3.12Å
29F71.6Confident70.8Confident3 Ų369.2 Ų69.21%0.01339%0.394CS..Hα-helixtrans-63.3-40.5176.8177.4-104.8000112.2N26 V27 R31 S32 G35 K38 Y82 Y85 V167N26-F29 HydrophobicContact CB-CB 4.17Å; N26-F29 VanDerWaalsContact O-CB 3.31Å; N26-F29 WeakPolarHBondContact O-CB 2.97Å; N26-F29 PolarHBondContact O-N 3.32Å; N26-F29 PolarHBondContact OD1-N 3.06Å; V27-F29 PolarHBondContact O-N 2.75Å; F29-R31 PolarHBondContact O-N 3.07Å; F29-S32 VanDerWaalsContact O-CB 3.3Å; F29-S32 WeakPolarHBondContact O-CB 3.29Å; F29-S32 PolarHBondContact O-N 3.09Å; F29-S32 PolarHBondContact O-OG 3.21Å; F29-G35 WeakPolarHBondContact O-CA 3.08Å; F29-K38 HydrophobicContact CZ-CD 4.46Å; F29-Y82 HydrophobicContact CE1-CD2 4.02Å; F29-Y82 HydrophobicContact CE1-CE2 4.07Å; F29-Y85 VanDerWaalsContact CE1-CB 3.47Å; F29-Y85 HydrophobicContact CE1-CG 4.43Å; F29-Y85 HydrophobicContact CE2-CG 4.02Å; F29-Y85 HydrophobicContact CZ-CD2 4.07Å; F29-Y85 AromaticContact CZ-CG 3.82Å; F29-Y85 HydrophobicContact CZ-CG 3.82Å; F29-V167 HydrophobicContact CD2-CG2 3.66Å; F29-V167 HydrophobicContact CE2-CG2 3.6Å
30V73.3Confident73Confident51 Ų5166.4 Ų66.431%0.30938%0.378SS..Hα-helixtrans-60.2-31.2178.8-174.90000111.6V27 G28V27-V30 PolarHBondContact O-N 2.89Å; G28-V30 PolarHBondContact O-N 3.45Å
31R76.3Confident75.3Confident207 Ų20761.4 Ų61.478%0.78135%0.351SS*.Hα-helixtrans-88.4-9.7176.8-64.9-175.7177.3171.5-0.1113.7G28 F29G28-R31 PolarHBondContact O-N 2.97Å; F29-R31 PolarHBondContact O-N 3.07Å
32S80.2Confident77.6Confident37 Ų3756.7 Ų56.726%0.25932%0.322SS..SBendtrans-72.4151.9177.277.90000110.8G28 F29 S34 G35 I36G28-S32 PolarHBondContact O-N 2.87Å; G28-S32 VanDerWaalsContact O-N 3.12Å; F29-S32 VanDerWaalsContact O-CB 3.3Å; F29-S32 WeakPolarHBondContact O-CB 3.29Å; F29-S32 PolarHBondContact O-N 3.09Å; F29-S32 PolarHBondContact O-OG 3.21Å; S32-S34 PolarHBondContact O-N 2.73Å; S32-G35 PolarHBondContact O-N 2.82Å; S32-G35 PolarHBondContact OG-N 3.49Å; S32-G35 VanDerWaalsContact OG-N 3.1Å; S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-I36 PolarHBondContact O-N 3.37Å
33L79.7Confident79.8Confident115 Ų11557.3 Ų57.360%0.60232%0.318SS*.Hα-helixtrans-54-43.4176.9-175.867.8000111.5G35 I36 L37 T149L33-G35 VanDerWaalsContact C-N 3.35Å; L33-G35 PolarHBondContact O-N 2.74Å; L33-I36 PolarHBondContact O-N 3.12Å; L33-L37 HydrophobicContact CG-CD1 4.23Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.96Å; L33-T149 HydrophobicContact CD2-CG2 4.2Å
34S81.8Confident81.8Confident23 Ų2355.9 Ų55.916%0.16131%0.306CS..Hα-helixtrans-65.3-36.7178.3-175.20000112.7S32 K38 R150S32-S34 PolarHBondContact O-N 2.73Å; S34-K38 WeakPolarHBondContact O-CG 3.42Å; S34-K38 PolarHBondContact O-N 3.36Å; S34-R150 PolarHBondContact OG-NH2 3.38Å
35G83.5Confident83.4Confident0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-69-42.3177.600000112F29 S32 L33 K38 L39F29-G35 WeakPolarHBondContact O-CA 3.08Å; S32-G35 PolarHBondContact O-N 2.82Å; S32-G35 PolarHBondContact OG-N 3.49Å; S32-G35 VanDerWaalsContact OG-N 3.1Å; L33-G35 VanDerWaalsContact C-N 3.35Å; L33-G35 PolarHBondContact O-N 2.74Å; G35-K38 PolarHBondContact O-N 2.95Å; G35-L39 WeakPolarHBondContact O-CB 3.23Å; G35-L39 PolarHBondContact O-N 2.96Å
36I88.5Confident85Confident80 Ų8049.3 Ų49.341%0.4127%0.272SS..Hα-helixtrans-62.8-45176.9-63.3166.5000110.6S32 L33 K38 L39 C40S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-I36 PolarHBondContact O-N 3.37Å; L33-I36 PolarHBondContact O-N 3.12Å; I36-K38 PolarHBondContact O-N 3.08Å; I36-L39 WeakPolarHBondContact O-CB 3.17Å; I36-L39 PolarHBondContact O-N 2.77Å; I36-C40 PolarHBondContact O-N 2.89Å; I36-C40 PolarHBondContact O-SG 2.74Å; I36-C40 VanDerWaalsContact O-SG 3.33Å
37L89.5Confident86.3Confident24 Ų2449.9 Ų49.913%0.12627%0.274CS..Hα-helixtrans-61.1-44.4178.6-71.4173.1000112.2L33 L39 C40 Q41 V142 E146L33-L37 HydrophobicContact CG-CD1 4.23Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.96Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 3.18Å; L37-C40 WeakPolarHBondContact O-CB 3.27Å; L37-C40 PolarHBondContact O-N 3.17Å; L37-Q41 WeakPolarHBondContact O-CG 3.39Å; L37-Q41 PolarHBondContact O-N 2.89Å; L37-V142 HydrophobicContact CD2-CG1 4.3Å; L37-E146 HydrophobicContact CB-CG 4.43Å; L37-E146 HydrophobicContact CD1-CB 4.11Å; L37-E146 HydrophobicContact CD1-CG 4.2Å
38K89.2Confident87.6Confident2 Ų245.6 Ų45.61%0.00925%0.249CC..Hα-helixtrans-63.6-39.6174.8-73.3-166.6-175.6-54.10112.7F29 S34 G35 I36 C40 Q41 I42 F81 Y82 Y85 E101 E146F29-K38 HydrophobicContact CZ-CD 4.46Å; S34-K38 WeakPolarHBondContact O-CG 3.42Å; S34-K38 PolarHBondContact O-N 3.36Å; G35-K38 PolarHBondContact O-N 2.95Å; I36-K38 PolarHBondContact O-N 3.08Å; K38-C40 VanDerWaalsContact C-N 3.33Å; K38-Q41 WeakPolarHBondContact O-CB 3.31Å; K38-Q41 PolarHBondContact O-N 3Å; K38-I42 WeakPolarHBondContact O-CG1 3.31Å; K38-I42 PolarHBondContact O-N 3.02Å; K38-F81 HydrophobicContact CD-CB 4.28Å; K38-Y82 HydrophobicContact CB-CD2 3.93Å; K38-Y85 HydrophobicContact CD-CD2 4.2Å; K38-E101 WeakPolarHBondContact CE-OE1 3.45Å; K38-E101 IonicContact NZ-OE1 3.83Å; K38-E101 PolarHBondContact NZ-OE1 2.78Å; K38-E146 IonicContact NZ-OE1 2.67Å; K38-E146 PolarHBondContact NZ-OE1 2.91Å
39L91.4Very high88.8Confident67 Ų6745.5 Ų45.535%0.35124%0.236SC..Hα-helixtrans-62.2-43.8174.9-178.162000110.9G35 I36 L37 Q41 I42 L43 Y82G35-L39 WeakPolarHBondContact O-CB 3.23Å; G35-L39 PolarHBondContact O-N 2.96Å; I36-L39 WeakPolarHBondContact O-CB 3.17Å; I36-L39 PolarHBondContact O-N 2.77Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 3.18Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.83Å; L39-I42 PolarHBondContact O-N 2.83Å; L39-L43 HydrophobicContact CG-CD1 4.37Å; L39-L43 WeakPolarHBondContact O-CG 3.39Å; L39-L43 PolarHBondContact O-N 3.22Å; L39-Y82 HydrophobicContact CB-CE2 4.38Å
40C94.5Very high89.9Confident43 Ų4350.7 Ų50.729%0.29126%0.263SS..Hα-helixtrans-58.1-44.7172.8-69.20000111.5I36 L37 K38 I42 L43 L44 V142I36-C40 PolarHBondContact O-N 2.89Å; I36-C40 PolarHBondContact O-SG 2.74Å; I36-C40 VanDerWaalsContact O-SG 3.33Å; L37-C40 WeakPolarHBondContact O-CB 3.27Å; L37-C40 PolarHBondContact O-N 3.17Å; K38-C40 VanDerWaalsContact C-N 3.33Å; C40-I42 VanDerWaalsContact C-N 3.34Å; C40-I42 PolarHBondContact O-N 3.45Å; C40-L43 PolarHBondContact O-N 3.09Å; C40-L44 HydrophobicContact CB-CD1 4.46Å; C40-L44 WeakPolarHBondContact O-CB 3.3Å; C40-L44 WeakPolarHBondContact O-CD1 3.42Å; C40-L44 PolarHBondContact O-N 2.9Å; C40-V142 HydrophobicContact CB-CG1 4.25Å
41Q94.8Very high90.8Very high3 Ų349.1 Ų49.11%0.01425%0.254CS..Hα-helixtrans-57-46.6176.6-69171.2-6.700112L37 K38 L39 L43 L44 S45 A78 V142 Y143 E146L37-Q41 WeakPolarHBondContact O-CG 3.39Å; L37-Q41 PolarHBondContact O-N 2.89Å; K38-Q41 WeakPolarHBondContact O-CB 3.31Å; K38-Q41 PolarHBondContact O-N 3Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.83Å; Q41-L43 PolarHBondContact O-N 3.4Å; Q41-L44 PolarHBondContact O-N 3.16Å; Q41-S45 PolarHBondContact O-N 3.12Å; Q41-S45 PolarHBondContact O-OG 3.22Å; Q41-S45 VanDerWaalsContact O-OG 3.12Å; Q41-A78 HydrophobicContact CB-CB 4.3Å; Q41-V142 HydrophobicContact CG-CG1 3.76Å; Q41-Y143 HydrophobicContact CB-CE2 3.9Å; Q41-Y143 HydrophobicContact CG-CD2 3.88Å; Q41-Y143 HydrophobicContact CG-CE2 3.44Å; Q41-Y143 VanDerWaalsContact CG-CE2 3.44Å; Q41-E146 VanDerWaalsContact CD-OE2 3.23Å; Q41-E146 PolarHBondContact NE2-OE2 3.41Å; Q41-E146 PolarHBondContact OE1-OE2 2.9Å
42I95.6Very high91.5Very high30 Ų3039.2 Ų39.215%0.15422%0.217CC..Hα-helixtrans-60.2-49178.1-65.7165.7000110.6K38 L39 C40 L44 S45 C46 A78 Y82K38-I42 WeakPolarHBondContact O-CG1 3.31Å; K38-I42 PolarHBondContact O-N 3.02Å; L39-I42 PolarHBondContact O-N 2.83Å; C40-I42 VanDerWaalsContact C-N 3.34Å; C40-I42 PolarHBondContact O-N 3.45Å; I42-L44 VanDerWaalsContact C-N 3.35Å; I42-L44 PolarHBondContact O-N 2.95Å; I42-S45 PolarHBondContact O-N 3.19Å; I42-C46 PolarHBondContact O-N 3.5Å; I42-C46 PolarHBondContact O-SG 3.08Å; I42-C46 VanDerWaalsContact O-SG 3.34Å; I42-A78 HydrophobicContact CG1-CB 3.71Å; I42-Y82 HydrophobicContact CD1-CD2 4.42Å; I42-Y82 HydrophobicContact CD1-CG 4.07Å
43L96.9Very high92Very high93 Ų9340.5 Ų40.549%0.48723%0.229SC..Hα-helixtrans-62.5-42.5-179.6-67.9178.1000111.9L39 C40 Q41 C46 I47L39-L43 HydrophobicContact CG-CD1 4.37Å; L39-L43 WeakPolarHBondContact O-CG 3.39Å; L39-L43 PolarHBondContact O-N 3.22Å; C40-L43 PolarHBondContact O-N 3.09Å; Q41-L43 PolarHBondContact O-N 3.4Å; L43-C46 WeakPolarHBondContact O-CB 3.31Å; L43-C46 PolarHBondContact O-N 3.03Å; L43-I47 VanDerWaalsContact O-CG1 3.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.19Å
44L96.3Very high92.4Very high22 Ų2238.7 Ų38.712%0.11523%0.231CC..Hα-helixtrans-66.7-40.6178.8-88.872.2000111.6C40 Q41 I42 C46 I47 V48 I138 A139 V142C40-L44 HydrophobicContact CB-CD1 4.46Å; C40-L44 WeakPolarHBondContact O-CB 3.3Å; C40-L44 WeakPolarHBondContact O-CD1 3.42Å; C40-L44 PolarHBondContact O-N 2.9Å; Q41-L44 PolarHBondContact O-N 3.16Å; I42-L44 VanDerWaalsContact C-N 3.35Å; I42-L44 PolarHBondContact O-N 2.95Å; L44-C46 VanDerWaalsContact C-N 3.34Å; L44-C46 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 3.03Å; L44-V48 WeakPolarHBondContact O-CG2 3.17Å; L44-V48 PolarHBondContact O-N 2.93Å; L44-I138 HydrophobicContact CD2-CB 3.96Å; L44-I138 HydrophobicContact CD2-CG2 3.64Å; L44-A139 HydrophobicContact CB-CB 4.27Å; L44-A139 VanDerWaalsContact CD2-CA 3.48Å; L44-A139 HydrophobicContact CD2-CB 3.87Å; L44-V142 HydrophobicContact CD2-CG2 4.25Å
45S97Very high92.6Very high0 Ų038.7 Ų38.70%023%0.23CC..Hα-helixtrans-60.2-43.2173.1-64.70000111.8Q41 I42 V48 L49 A71 T74Q41-S45 PolarHBondContact O-N 3.12Å; Q41-S45 PolarHBondContact O-OG 3.22Å; Q41-S45 VanDerWaalsContact O-OG 3.12Å; I42-S45 PolarHBondContact O-N 3.19Å; S45-V48 PolarHBondContact O-N 2.96Å; S45-L49 WeakPolarHBondContact O-CG 3.41Å; S45-L49 PolarHBondContact O-N 3.03Å; S45-A71 WeakPolarHBondContact CB-O 3.3Å; S45-T74 PolarHBondContact OG-OG1 3.2Å; S45-T74 VanDerWaalsContact OG-OG1 3.05Å
46C97Very high92.3Very high47 Ų4743 Ų4332%0.31826%0.26SS..Hα-helixtrans-60.5-45.6174.5-700000112.2I42 L43 L44 V48 L49 I50 L75I42-C46 PolarHBondContact O-N 3.5Å; I42-C46 PolarHBondContact O-SG 3.08Å; I42-C46 VanDerWaalsContact O-SG 3.34Å; L43-C46 WeakPolarHBondContact O-CB 3.31Å; L43-C46 PolarHBondContact O-N 3.03Å; L44-C46 VanDerWaalsContact C-N 3.34Å; L44-C46 PolarHBondContact O-N 3.46Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 PolarHBondContact O-N 3.23Å; C46-L49 PolarHBondContact O-N 3.23Å; C46-I50 VanDerWaalsContact O-CG1 3.29Å; C46-I50 WeakPolarHBondContact O-CG1 3.31Å; C46-I50 PolarHBondContact O-N 3.35Å; C46-L75 WeakPolarHBondContact SG-CD1 3.47Å
47I96.7Very high91.9Very high62 Ų6246.6 Ų46.632%0.31827%0.27SS..Hα-helixtrans-61-44.6178.9-69.7164.9000110.4L43 L44 L49 I50 C51 F135L43-I47 VanDerWaalsContact O-CG1 3.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.19Å; L44-I47 PolarHBondContact O-N 3.03Å; I47-L49 PolarHBondContact O-N 3.03Å; I47-I50 PolarHBondContact O-N 3.18Å; I47-C51 PolarHBondContact O-N 3.24Å; I47-C51 PolarHBondContact O-SG 3.48Å; I47-F135 HydrophobicContact CG2-CB 4.36Å; I47-F135 HydrophobicContact CG2-CD1 3.86Å; I47-F135 HydrophobicContact CG2-CD2 3.46Å; I47-F135 VanDerWaalsContact CG2-CD2 3.46Å; I47-F135 HydrophobicContact CG2-CE1 3.95Å; I47-F135 HydrophobicContact CG2-CE2 3.57Å; I47-F135 HydrophobicContact CG2-CG 3.63Å; I47-F135 HydrophobicContact CG2-CZ 3.82Å
48V96Very high91.4Very high0 Ų045.5 Ų45.50%026%0.264CS..Hα-helixtrans-64.5-41.5179173.20000111.5L44 S45 C46 I50 C51 V52 V67 A71 W112 F135L44-V48 WeakPolarHBondContact O-CG2 3.17Å; L44-V48 PolarHBondContact O-N 2.93Å; S45-V48 PolarHBondContact O-N 2.96Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 PolarHBondContact O-N 3.23Å; V48-I50 VanDerWaalsContact C-N 3.29Å; V48-I50 PolarHBondContact O-N 3.1Å; V48-C51 PolarHBondContact O-N 2.98Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.46Å; V48-V52 VanDerWaalsContact O-N 3.08Å; V48-V67 HydrophobicContact CG1-CG1 3.54Å; V48-A71 HydrophobicContact CB-CB 4.21Å; V48-A71 HydrophobicContact CG1-CB 3.92Å; V48-W112 HydrophobicContact CB-CH2 4.04Å; V48-W112 HydrophobicContact CB-CZ3 4.33Å; V48-W112 HydrophobicContact CG1-CH2 4.22Å; V48-W112 HydrophobicContact CG1-CZ3 4.16Å; V48-W112 HydrophobicContact CG2-CH2 3.81Å; V48-W112 HydrophobicContact CG2-CZ3 3.88Å; V48-F135 HydrophobicContact CG2-CB 3.64Å
49L95.3Very high90.9Very high46 Ų4647.3 Ų47.324%0.24128%0.277CS..Hα-helixtrans-56.7-44.4172.7-73.9172000111.5S45 C46 I47 V52 A53 N68 A71 A72 L75S45-L49 WeakPolarHBondContact O-CG 3.41Å; S45-L49 PolarHBondContact O-N 3.03Å; C46-L49 PolarHBondContact O-N 3.23Å; I47-L49 PolarHBondContact O-N 3.03Å; L49-V52 PolarHBondContact O-N 3.13Å; L49-A53 VanDerWaalsContact O-CB 3.27Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.49Å; L49-N68 HydrophobicContact CD2-CB 4.32Å; L49-A71 HydrophobicContact CD2-CB 3.75Å; L49-A71 HydrophobicContact CG-CB 3.74Å; L49-A72 HydrophobicContact CD2-CB 4.23Å; L49-L75 HydrophobicContact CD1-CD1 3.75Å
50I94Very high90.3Very high113 Ų11351.3 Ų51.358%0.57930%0.297SS*.Hα-helixtrans-66-42177.8-66.6164.7000110.8C46 I47 V48 V52 A53 A54C46-I50 VanDerWaalsContact O-CG1 3.29Å; C46-I50 WeakPolarHBondContact O-CG1 3.31Å; C46-I50 PolarHBondContact O-N 3.35Å; I47-I50 PolarHBondContact O-N 3.18Å; V48-I50 VanDerWaalsContact C-N 3.29Å; V48-I50 PolarHBondContact O-N 3.1Å; I50-V52 VanDerWaalsContact C-N 3.32Å; I50-V52 PolarHBondContact O-N 3.25Å; I50-A53 PolarHBondContact O-N 3.02Å; I50-A54 VanDerWaalsContact O-CB 3.23Å; I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.42Å
51C91.8Very high89.8Confident17 Ų1752.7 Ų52.712%0.11530%0.299CS..Hα-helixtrans-59.6-41.4178.7-70.80000112.5I47 V48 T55 A131 A132I47-C51 PolarHBondContact O-N 3.24Å; I47-C51 PolarHBondContact O-SG 3.48Å; V48-C51 PolarHBondContact O-N 2.98Å; C51-T55 PolarHBondContact O-OG1 2.65Å; C51-A131 HydrophobicContact CB-CB 4.43Å; C51-A132 HydrophobicContact CB-CB 4.14Å
52V91.8Very high89.5Confident0 Ų057.9 Ų57.90%034%0.335CS..Hα-helixtrans-70.6-47.3176.5-179.60000110.3V48 L49 I50 A54 T55 W58 V67 N68V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.46Å; V48-V52 VanDerWaalsContact O-N 3.08Å; L49-V52 PolarHBondContact O-N 3.13Å; I50-V52 VanDerWaalsContact C-N 3.32Å; I50-V52 PolarHBondContact O-N 3.25Å; V52-A54 VanDerWaalsContact C-N 3.27Å; V52-A54 PolarHBondContact O-N 3.27Å; V52-T55 PolarHBondContact O-N 2.99Å; V52-W58 HydrophobicContact CB-CZ3 4.25Å; V52-W58 HydrophobicContact CG1-CE3 4.31Å; V52-W58 HydrophobicContact CG1-CZ3 4.36Å; V52-W58 HydrophobicContact CG2-CE3 4.35Å; V52-W58 HydrophobicContact CG2-CH2 4.11Å; V52-W58 HydrophobicContact CG2-CZ3 3.62Å; V52-V67 HydrophobicContact CG2-CB 3.95Å; V52-V67 HydrophobicContact CG2-CG1 3.46Å; V52-V67 VanDerWaalsContact CG2-CG1 3.46Å; V52-N68 WeakPolarHBondContact CB-OD1 3.27Å; V52-N68 WeakPolarHBondContact CG1-ND2 3.37Å; V52-N68 WeakPolarHBondContact CG1-OD1 3.49Å; V52-N68 WeakPolarHBondContact CG2-OD1 3.48Å
53A90.2Very high89.2Confident63 Ų6357.1 Ų57.152%0.52133%0.333SS..Hα-helixtrans-62-33.2-179.800000113L49 I50 T55L49-A53 VanDerWaalsContact O-CB 3.27Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.49Å; I50-A53 PolarHBondContact O-N 3.02Å; A53-T55 PolarHBondContact O-N 3.01Å
54A88.7Confident88.9Confident78 Ų7852.7 Ų52.765%0.64531%0.31SS*.THydrogen-bonded Turntrans-66.9-15.6175.700000113.2I50 V52I50-A54 VanDerWaalsContact O-CB 3.23Å; I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.42Å; V52-A54 VanDerWaalsContact C-N 3.27Å; V52-A54 PolarHBondContact O-N 3.27Å
55T85.9Confident88.7Confident22 Ų2253.2 Ų53.214%0.13532%0.321CS..  trans-112.885.4179.5-510000110.6C51 V52 A53 Y57 W58 S59 G128C51-T55 PolarHBondContact O-OG1 2.65Å; V52-T55 PolarHBondContact O-N 2.99Å; A53-T55 PolarHBondContact O-N 3.01Å; T55-Y57 VanDerWaalsContact C-N 3.3Å; T55-Y57 PolarHBondContact O-N 2.8Å; T55-W58 HydrophobicContact CG2-CB 3.67Å; T55-W58 PolarHBondContact O-N 2.88Å; T55-W58 VanDerWaalsContact O-N 3.15Å; T55-S59 WeakPolarHBondContact O-CB 3.41Å; T55-S59 PolarHBondContact O-N 2.74Å; T55-G128 VanDerWaalsContact OG1-CA 3.3Å; T55-G128 WeakPolarHBondContact OG1-CA 3.37Å
56S77.9Confident88.6Confident90 Ų9057 Ų5763%0.62934%0.335SS*.Hα-helixtrans-56-40-174.1-48.50000113.7I60S56-I60 WeakPolarHBondContact O-CD1 3.46Å; S56-I60 WeakPolarHBondContact O-CG1 3.49Å
57Y79.2Confident88.5Confident157 Ų15754.8 Ų54.862%0.61632%0.32SS*.Hα-helixtrans-63.5-46179.3-175.9-104000112T55 H61T55-Y57 VanDerWaalsContact C-N 3.3Å; T55-Y57 PolarHBondContact O-N 2.8Å; Y57-H61 AromaticContact CD1-NE2 3.98Å; Y57-H61 AromaticContact CE1-CD2 3.94Å; Y57-H61 AromaticContact CE1-NE2 3.38Å; Y57-H61 WeakPolarHBondContact CE1-NE2 3.46Å; Y57-H61 AromaticContact CE2-NE2 3.94Å; Y57-H61 AromaticContact CZ-NE2 3.35Å; Y57-H61 PolarHBondContact O-CD2 3.21Å
58W78.5Confident88.4Confident0 Ų053.7 Ų53.70%032%0.315CS..Hα-helixtrans-74.3-34-178.4-175.342.1000112.8V52 T55 I60 H61 S63 V67 A119 H122 K125 A129 A132V52-W58 HydrophobicContact CB-CZ3 4.25Å; V52-W58 HydrophobicContact CG1-CE3 4.31Å; V52-W58 HydrophobicContact CG1-CZ3 4.36Å; V52-W58 HydrophobicContact CG2-CE3 4.35Å; V52-W58 HydrophobicContact CG2-CH2 4.11Å; V52-W58 HydrophobicContact CG2-CZ3 3.62Å; T55-W58 HydrophobicContact CG2-CB 3.67Å; T55-W58 PolarHBondContact O-N 2.88Å; T55-W58 VanDerWaalsContact O-N 3.15Å; W58-I60 PolarHBondContact O-N 3.05Å; W58-H61 WeakPolarHBondContact O-CB 3.23Å; W58-H61 PolarHBondContact O-N 3.13Å; W58-H61 VanDerWaalsContact O-N 3.09Å; W58-S63 PolarHBondContact NE1-OG 3.26Å; W58-V67 HydrophobicContact CH2-CB 4.18Å; W58-V67 HydrophobicContact CH2-CG1 4.28Å; W58-V67 HydrophobicContact CH2-CG2 3.75Å; W58-V67 HydrophobicContact CZ2-CG2 3.83Å; W58-A119 HydrophobicContact CH2-CB 4.2Å; W58-A119 HydrophobicContact CZ2-CB 4.46Å; W58-H122 AromaticContact NE1-ND1 3.83Å; W58-K125 HydrophobicContact CB-CB 4.22Å; W58-K125 HydrophobicContact CG-CB 4.2Å; W58-K125 HydrophobicContact CG-CD 4.17Å; W58-A129 HydrophobicContact CD2-CB 4.09Å; W58-A129 HydrophobicContact CE3-CB 4.04Å; W58-A129 HydrophobicContact CH2-CB 4.33Å; W58-A129 HydrophobicContact CZ2-CB 4.39Å; W58-A129 HydrophobicContact CZ3-CB 4.15Å; W58-A132 HydrophobicContact CH2-CB 3.84Å; W58-A132 HydrophobicContact CZ3-CB 3.78Å
59S80Confident88.4Confident41 Ų4158.8 Ų58.829%0.28734%0.337SS..Hα-helixtrans-62.6-26.9180-171.90000113.4T55T55-S59 WeakPolarHBondContact O-CB 3.41Å; T55-S59 PolarHBondContact O-N 2.74Å
60I78.8Confident88.5Confident151 Ų15156.6 Ų56.677%0.77433%0.326SS*.Hα-helixtrans-79.7-26.7177.9-61.8162.2000111S56 W58S56-I60 WeakPolarHBondContact O-CD1 3.46Å; S56-I60 WeakPolarHBondContact O-CG1 3.49Å; W58-I60 PolarHBondContact O-N 3.05Å
61H84.1Confident88.7Confident71 Ų7151.2 Ų51.233%0.32930%0.298SS..SBendtrans-72.8146.4176.9-73.8-70.8000111.6Y57 W58 S63 G64 G65Y57-H61 AromaticContact CD1-NE2 3.98Å; Y57-H61 AromaticContact CE1-CD2 3.94Å; Y57-H61 AromaticContact CE1-NE2 3.38Å; Y57-H61 WeakPolarHBondContact CE1-NE2 3.46Å; Y57-H61 AromaticContact CE2-NE2 3.94Å; Y57-H61 AromaticContact CZ-NE2 3.35Å; Y57-H61 PolarHBondContact O-CD2 3.21Å; W58-H61 WeakPolarHBondContact O-CB 3.23Å; W58-H61 PolarHBondContact O-N 3.13Å; W58-H61 VanDerWaalsContact O-N 3.09Å; H61-S63 PolarHBondContact O-N 2.88Å; H61-G64 PolarHBondContact O-N 3.31Å; H61-G65 PolarHBondContact O-N 2.89Å; H61-G65 VanDerWaalsContact O-N 3.12Å
62S87.4Confident88.9Confident112 Ų11252.1 Ų52.178%0.78331%0.307SS*.Hα-helixtrans-50-35.6178.6179.60000113.5G65 W66S62-G65 PolarHBondContact O-N 3.5Å; S62-W66 PolarHBondContact O-N 3.47Å
63S90.1Very high89.1Confident14 Ų1454 Ų5410%0.09832%0.318CS..Hα-helixtrans-64.5-41.6176.156.20000114.2W58 H61 G65 W66 V67 H122W58-S63 PolarHBondContact NE1-OG 3.26Å; H61-S63 PolarHBondContact O-N 2.88Å; S63-G65 VanDerWaalsContact C-N 3.29Å; S63-W66 PolarHBondContact O-N 2.9Å; S63-V67 WeakPolarHBondContact O-CG2 3.08Å; S63-V67 PolarHBondContact O-N 2.84Å; S63-H122 WeakPolarHBondContact CB-CE1 3.41Å; S63-H122 WeakPolarHBondContact CB-ND1 3.37Å; S63-H122 PolarHBondContact OG-CE1 2.95Å; S63-H122 VanDerWaalsContact OG-CE1 3.3Å; S63-H122 PolarHBondContact OG-ND1 2.92Å
64G91Very high89.4Confident0 Ų051 Ų510%029%0.294CS..Hα-helixtrans-68.1-37.2176.400000110.2H61 W66 V67 N68H61-G64 PolarHBondContact O-N 3.31Å; G64-W66 PolarHBondContact O-N 3.46Å; G64-V67 PolarHBondContact O-N 3.3Å; G64-N68 WeakPolarHBondContact O-CB 3.48Å; G64-N68 PolarHBondContact O-N 3.06Å
65G92.1Very high89.8Confident34 Ų3449.3 Ų49.335%0.35127%0.273SS..Hα-helixtrans-56.4-45.4170.800000113.3H61 S62 S63 N68 F69H61-G65 PolarHBondContact O-N 2.89Å; H61-G65 VanDerWaalsContact O-N 3.12Å; S62-G65 PolarHBondContact O-N 3.5Å; S63-G65 VanDerWaalsContact C-N 3.29Å; G65-N68 PolarHBondContact O-N 3.47Å; G65-F69 WeakPolarHBondContact O-CB 3.33Å; G65-F69 PolarHBondContact O-N 2.85Å
66W94.5Very high90.2Very high80 Ų8053.3 Ų53.330%0.30329%0.293SS..Hα-helixtrans-59.8-48.8175173.8-95.9000112.3S62 S63 G64 N68 F69 V70 I114 T115S62-W66 PolarHBondContact O-N 3.47Å; S63-W66 PolarHBondContact O-N 2.9Å; G64-W66 PolarHBondContact O-N 3.46Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 2.56Å; W66-F69 HydrophobicContact CE3-CD1 4.32Å; W66-F69 HydrophobicContact CZ3-CD1 4.25Å; W66-F69 HydrophobicContact CZ3-CE1 4.42Å; W66-F69 WeakPolarHBondContact O-CB 3.02Å; W66-F69 PolarHBondContact O-N 3.41Å; W66-V70 HydrophobicContact CD2-CG2 4.23Å; W66-V70 HydrophobicContact CH2-CG2 4.4Å; W66-V70 HydrophobicContact CZ2-CG2 3.77Å; W66-V70 WeakPolarHBondContact O-CG2 3.2Å; W66-V70 PolarHBondContact O-N 3.38Å; W66-I114 HydrophobicContact CZ2-CB 4.23Å; W66-I114 HydrophobicContact CZ2-CD1 4.4Å; W66-I114 HydrophobicContact CZ2-CG2 3.78Å; W66-T115 PolarHBondContact NE1-OG1 2.82Å
67V95.2Very high90.9Very high0 Ų050.8 Ų50.80%028%0.275CS..Hα-helixtrans-60-44.1178.8177.20000110.8V48 V52 W58 S63 G64 V70 A71 T115 V118V48-V67 HydrophobicContact CG1-CG1 3.54Å; V52-V67 HydrophobicContact CG2-CB 3.95Å; V52-V67 HydrophobicContact CG2-CG1 3.46Å; V52-V67 VanDerWaalsContact CG2-CG1 3.46Å; W58-V67 HydrophobicContact CH2-CB 4.18Å; W58-V67 HydrophobicContact CH2-CG1 4.28Å; W58-V67 HydrophobicContact CH2-CG2 3.75Å; W58-V67 HydrophobicContact CZ2-CG2 3.83Å; S63-V67 WeakPolarHBondContact O-CG2 3.08Å; S63-V67 PolarHBondContact O-N 2.84Å; G64-V67 PolarHBondContact O-N 3.3Å; V67-V70 PolarHBondContact O-N 2.93Å; V67-A71 VanDerWaalsContact O-CB 3.32Å; V67-A71 WeakPolarHBondContact O-CB 3.37Å; V67-A71 PolarHBondContact O-N 3.34Å; V67-T115 HydrophobicContact CB-CG2 4.1Å; V67-T115 HydrophobicContact CG1-CG2 3.69Å; V67-T115 HydrophobicContact CG2-CG2 3.89Å; V67-V118 HydrophobicContact CG2-CG1 4.27Å
68N94.4Very high91.5Very high38 Ų3843.5 Ų43.520%0.20325%0.247CC..Hα-helixtrans-63.3-42.8175.6-91.5-6.4000112.8L49 V52 G64 G65 W66 V70 A71 A72L49-N68 HydrophobicContact CD2-CB 4.32Å; V52-N68 WeakPolarHBondContact CB-OD1 3.27Å; V52-N68 WeakPolarHBondContact CG1-ND2 3.37Å; V52-N68 WeakPolarHBondContact CG1-OD1 3.49Å; V52-N68 WeakPolarHBondContact CG2-OD1 3.48Å; G64-N68 WeakPolarHBondContact O-CB 3.48Å; G64-N68 PolarHBondContact O-N 3.06Å; G65-N68 PolarHBondContact O-N 3.47Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 2.56Å; N68-V70 PolarHBondContact O-N 3.18Å; N68-A71 PolarHBondContact O-N 2.91Å; N68-A72 VanDerWaalsContact O-CB 3.25Å; N68-A72 WeakPolarHBondContact O-CB 3.41Å; N68-A72 PolarHBondContact O-N 3.47Å
69F96Very high92.1Very high107 Ų10745 Ų4547%0.46926%0.259SS..Hα-helixtrans-59.3-47.6177.1168.2-104.2000111.2G65 W66 T73G65-F69 WeakPolarHBondContact O-CB 3.33Å; G65-F69 PolarHBondContact O-N 2.85Å; W66-F69 HydrophobicContact CE3-CD1 4.32Å; W66-F69 HydrophobicContact CZ3-CD1 4.25Å; W66-F69 HydrophobicContact CZ3-CE1 4.42Å; W66-F69 WeakPolarHBondContact O-CB 3.02Å; W66-F69 PolarHBondContact O-N 3.41Å; F69-T73 WeakPolarHBondContact CE2-OG1 3.05Å; F69-T73 VanDerWaalsContact O-CB 3.25Å; F69-T73 WeakPolarHBondContact O-CB 3.36Å; F69-T73 PolarHBondContact O-N 2.97Å; F69-T73 PolarHBondContact O-OG1 3.48Å
70V97.4Very high92.6Very high0 Ų046.1 Ų46.10%026%0.264CS..Hα-helixtrans-64.3-45.6177.8170.90000111.1W66 V67 N68 A72 T73 T74 F111 T115W66-V70 HydrophobicContact CD2-CG2 4.23Å; W66-V70 HydrophobicContact CH2-CG2 4.4Å; W66-V70 HydrophobicContact CZ2-CG2 3.77Å; W66-V70 WeakPolarHBondContact O-CG2 3.2Å; W66-V70 PolarHBondContact O-N 3.38Å; V67-V70 PolarHBondContact O-N 2.93Å; N68-V70 PolarHBondContact O-N 3.18Å; V70-A72 PolarHBondContact O-N 2.9Å; V70-T73 PolarHBondContact O-N 3.06Å; V70-T74 HydrophobicContact CG1-CG2 4.16Å; V70-T74 WeakPolarHBondContact O-CB 3.39Å; V70-T74 WeakPolarHBondContact O-CG2 3.42Å; V70-T74 PolarHBondContact O-N 2.84Å; V70-T74 PolarHBondContact O-OG1 3.33Å; V70-F111 HydrophobicContact CG1-CB 3.69Å; V70-F111 HydrophobicContact CG2-CB 4.03Å; V70-F111 HydrophobicContact CG2-CD2 4.49Å; V70-F111 HydrophobicContact CG2-CG 4.4Å; V70-T115 WeakPolarHBondContact CB-OG1 3.43Å; V70-T115 WeakPolarHBondContact CG1-OG1 3.49Å; V70-T115 WeakPolarHBondContact CG2-OG1 3.12Å
71A97.1Very high93Very high0 Ų040 Ų400%023%0.232CC..Hα-helixtrans-64-42.6-18000000111.9S45 V48 L49 V67 N68 T74 L75 W112S45-A71 WeakPolarHBondContact CB-O 3.3Å; V48-A71 HydrophobicContact CB-CB 4.21Å; V48-A71 HydrophobicContact CG1-CB 3.92Å; L49-A71 HydrophobicContact CD2-CB 3.75Å; L49-A71 HydrophobicContact CG-CB 3.74Å; V67-A71 VanDerWaalsContact O-CB 3.32Å; V67-A71 WeakPolarHBondContact O-CB 3.37Å; V67-A71 PolarHBondContact O-N 3.34Å; N68-A71 PolarHBondContact O-N 2.91Å; A71-T74 WeakPolarHBondContact CA-OG1 3.37Å; A71-T74 PolarHBondContact O-OG1 3.41Å; A71-T74 VanDerWaalsContact O-OG1 3.04Å; A71-L75 WeakPolarHBondContact O-CB 3.2Å; A71-L75 PolarHBondContact O-N 3.47Å; A71-W112 HydrophobicContact CB-CH2 4.39Å
72A97.1Very high93.1Very high36 Ų3638 Ų3830%0.29822%0.222SC..Hα-helixtrans-66.5-44.3176.100000112.1L49 N68 V70 L75 I76L49-A72 HydrophobicContact CD2-CB 4.23Å; N68-A72 VanDerWaalsContact O-CB 3.25Å; N68-A72 WeakPolarHBondContact O-CB 3.41Å; N68-A72 PolarHBondContact O-N 3.47Å; V70-A72 PolarHBondContact O-N 2.9Å; A72-L75 WeakPolarHBondContact O-CB 3.28Å; A72-L75 PolarHBondContact O-N 3.22Å; A72-I76 VanDerWaalsContact O-CG1 3.3Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.46Å
73T96.3Very high93Very high40 Ų4036.4 Ų36.425%0.24520%0.204CC..Hα-helixtrans-64.1-46.7179.7-57.20000110.9F69 V70 L75 I76 C77F69-T73 WeakPolarHBondContact CE2-OG1 3.05Å; F69-T73 VanDerWaalsContact O-CB 3.25Å; F69-T73 WeakPolarHBondContact O-CB 3.36Å; F69-T73 PolarHBondContact O-N 2.97Å; F69-T73 PolarHBondContact O-OG1 3.48Å; V70-T73 PolarHBondContact O-N 3.06Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 2.96Å; T73-I76 PolarHBondContact O-N 3.41Å; T73-C77 PolarHBondContact O-N 3.21Å; T73-C77 PolarHBondContact O-SG 2.93Å
74T96.3Very high92.6Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-65.9-35.9177.855.10000112.1S45 V70 A71 C77 A78 C108S45-T74 PolarHBondContact OG-OG1 3.2Å; S45-T74 VanDerWaalsContact OG-OG1 3.05Å; V70-T74 HydrophobicContact CG1-CG2 4.16Å; V70-T74 WeakPolarHBondContact O-CB 3.39Å; V70-T74 WeakPolarHBondContact O-CG2 3.42Å; V70-T74 PolarHBondContact O-N 2.84Å; V70-T74 PolarHBondContact O-OG1 3.33Å; A71-T74 WeakPolarHBondContact CA-OG1 3.37Å; A71-T74 PolarHBondContact O-OG1 3.41Å; A71-T74 VanDerWaalsContact O-OG1 3.04Å; T74-C77 PolarHBondContact O-N 2.82Å; T74-A78 WeakPolarHBondContact O-CB 3.37Å; T74-A78 PolarHBondContact O-N 3.24Å; T74-C108 HydrophobicContact CG2-CB 4.01Å
75L96.4Very high92Very high42 Ų4239.4 Ų39.422%0.2222%0.215CC..Hα-helixtrans-60-50.3172.2-175159.9000111C46 L49 A71 A72 T73 A78 A79C46-L75 WeakPolarHBondContact SG-CD1 3.47Å; L49-L75 HydrophobicContact CD1-CD1 3.75Å; A71-L75 WeakPolarHBondContact O-CB 3.2Å; A71-L75 PolarHBondContact O-N 3.47Å; A72-L75 WeakPolarHBondContact O-CB 3.28Å; A72-L75 PolarHBondContact O-N 3.22Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 2.96Å; L75-A78 PolarHBondContact O-N 2.88Å; L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 2.83Å
76I95.2Very high91.2Very high106 Ų10639 Ų3954%0.54421%0.205SC..Hα-helixtrans-61.7-48.3179.8-67.6164.8000110A72 T73 A78 A79 V80A72-I76 VanDerWaalsContact O-CG1 3.3Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.46Å; T73-I76 PolarHBondContact O-N 3.41Å; I76-A78 PolarHBondContact O-N 3.35Å; I76-A79 PolarHBondContact O-N 3.36Å; I76-V80 HydrophobicContact CG2-CG2 4.41Å; I76-V80 VanDerWaalsContact O-CG2 3.3Å; I76-V80 WeakPolarHBondContact O-CG2 3.48Å; I76-V80 PolarHBondContact O-N 3.36Å
77C93.1Very high90.3Very high38 Ų3839.8 Ų39.826%0.25721%0.21SC..Hα-helixtrans-58.4-50.1177.4-68.20000111.7T73 T74 A79 V80 F81 V104T73-C77 PolarHBondContact O-N 3.21Å; T73-C77 PolarHBondContact O-SG 2.93Å; T74-C77 PolarHBondContact O-N 2.82Å; C77-A79 PolarHBondContact O-N 3.1Å; C77-V80 PolarHBondContact O-N 3.3Å; C77-F81 WeakPolarHBondContact O-CD2 3.19Å; C77-F81 PolarHBondContact O-N 2.73Å; C77-V104 HydrophobicContact CB-CG1 4.14Å
78A91.7Very high89Confident3 Ų341.3 Ų41.33%0.02522%0.218CC..Hα-helixtrans-63.6-40.7-179.300000111.8Q41 I42 T74 L75 I76 Y82Q41-A78 HydrophobicContact CB-CB 4.3Å; I42-A78 HydrophobicContact CG1-CB 3.71Å; T74-A78 WeakPolarHBondContact O-CB 3.37Å; T74-A78 PolarHBondContact O-N 3.24Å; L75-A78 PolarHBondContact O-N 2.88Å; I76-A78 PolarHBondContact O-N 3.35Å; A78-Y82 WeakPolarHBondContact O-CB 3.36Å; A78-Y82 PolarHBondContact O-N 3.49Å
79A91.3Very high87.5Confident32 Ų3242.8 Ų42.826%0.26423%0.226SC..Hα-helixtrans-63.4-46.4176.300000111.8L75 I76 C77 F81 Y82 I83L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 2.83Å; I76-A79 PolarHBondContact O-N 3.36Å; C77-A79 PolarHBondContact O-N 3.1Å; A79-F81 PolarHBondContact O-N 2.9Å; A79-Y82 PolarHBondContact O-N 3.13Å; A79-I83 WeakPolarHBondContact O-CB 3.28Å; A79-I83 VanDerWaalsContact O-CG1 3.28Å; A79-I83 WeakPolarHBondContact O-CG1 3.14Å; A79-I83 PolarHBondContact O-N 3.46Å
80V90.3Very high85.9Confident64 Ų6439.3 Ų39.339%0.38821%0.212SC..Hα-helixtrans-60.6-48177.9170.30000110.9I76 C77 Y82 I83 F84I76-V80 HydrophobicContact CG2-CG2 4.41Å; I76-V80 VanDerWaalsContact O-CG2 3.3Å; I76-V80 WeakPolarHBondContact O-CG2 3.48Å; I76-V80 PolarHBondContact O-N 3.36Å; C77-V80 PolarHBondContact O-N 3.3Å; V80-Y82 VanDerWaalsContact C-N 3.34Å; V80-Y82 PolarHBondContact O-N 2.85Å; V80-I83 PolarHBondContact O-N 3.5Å; V80-F84 HydrophobicContact CG1-CD2 4.05Å; V80-F84 HydrophobicContact CG1-CE1 4.23Å; V80-F84 HydrophobicContact CG1-CE2 3.63Å; V80-F84 HydrophobicContact CG1-CZ 3.74Å; V80-F84 WeakPolarHBondContact O-CG 3.47Å; V80-F84 PolarHBondContact O-N 3.43Å
81F86.8Confident84.1Confident22 Ų2244.8 Ų44.810%0.09623%0.233CC..Hα-helixtrans-62-42.3175.8-78.5-63.9000112K38 C77 A79 I83 F84 Y85 E101 V104K38-F81 HydrophobicContact CD-CB 4.28Å; C77-F81 WeakPolarHBondContact O-CD2 3.19Å; C77-F81 PolarHBondContact O-N 2.73Å; A79-F81 PolarHBondContact O-N 2.9Å; F81-I83 VanDerWaalsContact C-N 3.33Å; F81-I83 PolarHBondContact O-N 2.93Å; F81-F84 PolarHBondContact O-N 2.74Å; F81-Y85 HydrophobicContact CB-CD2 4.37Å; F81-Y85 HydrophobicContact CB-CE2 4.32Å; F81-Y85 HydrophobicContact CD1-CE2 4.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.42Å; F81-Y85 PolarHBondContact O-N 2.89Å; F81-E101 HydrophobicContact CE1-CB 4.15Å; F81-E101 HydrophobicContact CZ-CB 4.4Å; F81-V104 HydrophobicContact CE2-CB 3.88Å; F81-V104 HydrophobicContact CE2-CG1 3.75Å; F81-V104 HydrophobicContact CE2-CG2 4.03Å; F81-V104 HydrophobicContact CZ-CB 4.2Å; F81-V104 HydrophobicContact CZ-CG2 4.03Å
82Y85.5Confident82.4Confident30 Ų3052.9 Ų52.912%0.11827%0.268CS..Hα-helixtrans-60.3-44178.4-170.4-95.8000111.6F29 K38 L39 I42 A78 A79 V80 Y85 L86F29-Y82 HydrophobicContact CE1-CD2 4.02Å; F29-Y82 HydrophobicContact CE1-CE2 4.07Å; K38-Y82 HydrophobicContact CB-CD2 3.93Å; L39-Y82 HydrophobicContact CB-CE2 4.38Å; I42-Y82 HydrophobicContact CD1-CD2 4.42Å; I42-Y82 HydrophobicContact CD1-CG 4.07Å; A78-Y82 WeakPolarHBondContact O-CB 3.36Å; A78-Y82 PolarHBondContact O-N 3.49Å; A79-Y82 PolarHBondContact O-N 3.13Å; V80-Y82 VanDerWaalsContact C-N 3.34Å; V80-Y82 PolarHBondContact O-N 2.85Å; Y82-Y85 PolarHBondContact O-N 3.28Å; Y82-L86 HydrophobicContact CD1-CD1 4.34Å; Y82-L86 HydrophobicContact CE1-CD1 3.77Å; Y82-L86 VanDerWaalsContact O-CB 3.23Å; Y82-L86 WeakPolarHBondContact O-CB 3.46Å; Y82-L86 PolarHBondContact O-N 3.3Å
83I85.7Confident80.8Confident79 Ų7954.4 Ų54.441%0.40527%0.27SS..Hα-helixtrans-64.7-44.3176.3-68.1-59.8000111.5A79 V80 F81 Y85 L86 F87A79-I83 WeakPolarHBondContact O-CB 3.28Å; A79-I83 VanDerWaalsContact O-CG1 3.28Å; A79-I83 WeakPolarHBondContact O-CG1 3.14Å; A79-I83 PolarHBondContact O-N 3.46Å; V80-I83 PolarHBondContact O-N 3.5Å; F81-I83 VanDerWaalsContact C-N 3.33Å; F81-I83 PolarHBondContact O-N 2.93Å; I83-Y85 VanDerWaalsContact C-N 3.28Å; I83-Y85 PolarHBondContact O-N 3.24Å; I83-L86 PolarHBondContact O-N 2.94Å; I83-F87 HydrophobicContact CD1-CE2 4.49Å; I83-F87 HydrophobicContact CG2-CD2 3.72Å; I83-F87 HydrophobicContact CG2-CE2 3.83Å; I83-F87 WeakPolarHBondContact O-CD2 3.3Å; I83-F87 PolarHBondContact O-N 2.64Å; I83-F87 VanDerWaalsContact O-N 3.1Å
84F81.9Confident79.3Confident56 Ų5658.8 Ų58.825%0.24630%0.3CS..Hα-helixtrans-60.4-37.6176.2-72.7-8000112.6V80 F81 N88 L89 W97V80-F84 HydrophobicContact CG1-CD2 4.05Å; V80-F84 HydrophobicContact CG1-CE1 4.23Å; V80-F84 HydrophobicContact CG1-CE2 3.63Å; V80-F84 HydrophobicContact CG1-CZ 3.74Å; V80-F84 WeakPolarHBondContact O-CG 3.47Å; V80-F84 PolarHBondContact O-N 3.43Å; F81-F84 PolarHBondContact O-N 2.74Å; F84-N88 PolarHBondContact O-N 2.9Å; F84-L89 HydrophobicContact CD1-CD2 3.83Å; F84-L89 HydrophobicContact CE1-CD2 3.94Å; F84-L89 PolarHBondContact O-N 2.64Å; F84-W97 HydrophobicContact CD2-CZ3 4.29Å; F84-W97 HydrophobicContact CE2-CH2 4.31Å; F84-W97 HydrophobicContact CE2-CZ3 4.22Å
85Y78Confident77.9Confident21 Ų2160.9 Ų60.98%0.08232%0.321CS..Hα-helixtrans-78.1-37177.3-74-57.4000113.5F29 K38 F81 Y82 I83 F87 N88 I90 E101 V167F29-Y85 VanDerWaalsContact CE1-CB 3.47Å; F29-Y85 HydrophobicContact CE1-CG 4.43Å; F29-Y85 HydrophobicContact CE2-CG 4.02Å; F29-Y85 HydrophobicContact CZ-CD2 4.07Å; F29-Y85 AromaticContact CZ-CG 3.82Å; F29-Y85 HydrophobicContact CZ-CG 3.82Å; K38-Y85 HydrophobicContact CD-CD2 4.2Å; F81-Y85 HydrophobicContact CB-CD2 4.37Å; F81-Y85 HydrophobicContact CB-CE2 4.32Å; F81-Y85 HydrophobicContact CD1-CE2 4.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.42Å; F81-Y85 PolarHBondContact O-N 2.89Å; Y82-Y85 PolarHBondContact O-N 3.28Å; I83-Y85 VanDerWaalsContact C-N 3.28Å; I83-Y85 PolarHBondContact O-N 3.24Å; Y85-F87 PolarHBondContact O-N 2.67Å; Y85-N88 PolarHBondContact O-N 2.95Å; Y85-N88 VanDerWaalsContact O-N 3.13Å; Y85-I90 HydrophobicContact CE1-CB 4.49Å; Y85-I90 HydrophobicContact CE1-CD1 4.43Å; Y85-I90 HydrophobicContact CE1-CG1 4.3Å; Y85-E101 WeakPolarHBondContact CE2-OE1 3.33Å; Y85-E101 VanDerWaalsContact OH-CD 3.25Å; Y85-E101 PolarHBondContact OH-OE2 2.89Å; Y85-V167 HydrophobicContact CD1-CG2 4.14Å; Y85-V167 HydrophobicContact CE1-CG2 4.46Å
86L76Confident77.1Confident26 Ų2662.6 Ų62.614%0.13634%0.335CS..Hα-helixtrans-61.8-44.2178.1-172.9160000111.3I25 N26 Y82 I83 N88I25-L86 HydrophobicContact CB-CD2 4.17Å; I25-L86 HydrophobicContact CG1-CD2 3.94Å; I25-L86 HydrophobicContact CG2-CD2 3.66Å; I25-L86 HydrophobicContact CG2-CG 4.26Å; N26-L86 PolarHBondContact N-O 2.67Å; Y82-L86 HydrophobicContact CD1-CD1 4.34Å; Y82-L86 HydrophobicContact CE1-CD1 3.77Å; Y82-L86 VanDerWaalsContact O-CB 3.23Å; Y82-L86 WeakPolarHBondContact O-CB 3.46Å; Y82-L86 PolarHBondContact O-N 3.3Å; I83-L86 PolarHBondContact O-N 2.94Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 3.33Å
87F74.9Confident76.2Confident95 Ų9559.8 Ų59.842%0.41732%0.318SS..THydrogen-bonded Turntrans-85.63.2176.8-65.8-57.8000113.9V24 I25 I83 Y85 L89V24-F87 HydrophobicContact CG1-CD1 4.11Å; V24-F87 HydrophobicContact CG1-CE1 4.32Å; V24-F87 WeakPolarHBondContact O-CD1 3.41Å; I25-F87 HydrophobicContact CG1-CD1 4.37Å; I25-F87 HydrophobicContact CG1-CE1 3.94Å; I83-F87 HydrophobicContact CD1-CE2 4.49Å; I83-F87 HydrophobicContact CG2-CD2 3.72Å; I83-F87 HydrophobicContact CG2-CE2 3.83Å; I83-F87 WeakPolarHBondContact O-CD2 3.3Å; I83-F87 PolarHBondContact O-N 2.64Å; I83-F87 VanDerWaalsContact O-N 3.1Å; Y85-F87 PolarHBondContact O-N 2.67Å; F87-L89 HydrophobicContact CB-CB 4.5Å; F87-L89 PolarHBondContact O-N 3.5Å
88N68.4Low75.3Confident32 Ų3260.5 Ų60.517%0.17132%0.318CS..THydrogen-bonded Turntrans49.831-175.4-157.1-0.1000112.6F84 Y85 L86 I90 R91F84-N88 PolarHBondContact O-N 2.9Å; Y85-N88 PolarHBondContact O-N 2.95Å; Y85-N88 VanDerWaalsContact O-N 3.13Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 3.33Å; N88-I90 PolarHBondContact O-N 2.88Å; N88-R91 VanDerWaalsContact CG-NE 3.34Å; N88-R91 PolarHBondContact ND2-NE 3.01Å; N88-R91 PolarHBondContact O-N 3.24Å; N88-R91 WeakPolarHBondContact OD1-CG 3.46Å
89L62.4Low74.6Confident70 Ų7065.5 Ų65.537%0.36634%0.344SS..G310 helixtrans-66.5-21.7-175.9-171.262.8000110.6F84 F87 R91 K92 L93F84-L89 HydrophobicContact CD1-CD2 3.83Å; F84-L89 HydrophobicContact CE1-CD2 3.94Å; F84-L89 PolarHBondContact O-N 2.64Å; F87-L89 HydrophobicContact CB-CB 4.5Å; F87-L89 PolarHBondContact O-N 3.5Å; L89-R91 PolarHBondContact O-N 2.87Å; L89-R91 VanDerWaalsContact O-N 3.13Å; L89-K92 HydrophobicContact CD1-CB 4.23Å; L89-K92 HydrophobicContact CD1-CG 4.37Å; L89-K92 WeakPolarHBondContact O-CB 3.37Å; L89-K92 PolarHBondContact O-N 3.39Å; L89-L93 HydrophobicContact CD1-CD1 4.19Å; L89-L93 HydrophobicContact CD2-CD1 4.27Å; L89-L93 HydrophobicContact CG-CD1 3.66Å; L89-L93 WeakPolarHBondContact O-CD1 3.28Å
90I61.8Low74.4Confident34 Ų3467.3 Ų67.317%0.17435%0.348CS..G310 helixtrans-53-33.4175.6-147.374.7000112.8Y85 N88 K92 L93 W97Y85-I90 HydrophobicContact CE1-CB 4.49Å; Y85-I90 HydrophobicContact CE1-CD1 4.43Å; Y85-I90 HydrophobicContact CE1-CG1 4.3Å; N88-I90 PolarHBondContact O-N 2.88Å; I90-K92 PolarHBondContact O-N 3.36Å; I90-L93 PolarHBondContact O-N 3.41Å; I90-W97 HydrophobicContact CD1-CB 3.72Å; I90-W97 HydrophobicContact CD1-CD2 3.23Å; I90-W97 HydrophobicContact CD1-CE3 3.45Å; I90-W97 VanDerWaalsContact CD1-CE3 3.45Å; I90-W97 HydrophobicContact CD1-CG 3.32Å; I90-W97 HydrophobicContact CD1-CZ3 4.24Å; I90-W97 HydrophobicContact CG1-CB 3.94Å; I90-W97 HydrophobicContact CG1-CD2 4.1Å; I90-W97 HydrophobicContact CG1-CG 3.69Å
91R59.7Low74.1Confident115 Ų11564.3 Ų64.343%0.43433%0.33SS..G310 helixtrans-66.8-23.3176.9-70.4-170.4-61.3160.7-9.1113.3E17 N88 L89E17-R91 IonicContact OE1-CZ 3.55Å; E17-R91 IonicContact OE1-NH1 3.7Å; E17-R91 PolarHBondContact OE1-NH1 3.37Å; E17-R91 IonicContact OE1-NH2 3.17Å; E17-R91 IonicContact OE2-NH1 3.18Å; E17-R91 PolarHBondContact OE2-NH1 3.44Å; N88-R91 VanDerWaalsContact CG-NE 3.34Å; N88-R91 PolarHBondContact ND2-NE 3.01Å; N88-R91 PolarHBondContact O-N 3.24Å; N88-R91 WeakPolarHBondContact OD1-CG 3.46Å; L89-R91 PolarHBondContact O-N 2.87Å; L89-R91 VanDerWaalsContact O-N 3.13Å
92K62.1Low74Confident169 Ų16966.2 Ų66.274%0.73534%0.338SS*.G310 helixtrans-90.8-17.6-175.1-64.4-68.7-175.2-179.70112.8L89 I90L89-K92 HydrophobicContact CD1-CB 4.23Å; L89-K92 HydrophobicContact CD1-CG 4.37Å; L89-K92 WeakPolarHBondContact O-CB 3.37Å; L89-K92 PolarHBondContact O-N 3.39Å; I90-K92 PolarHBondContact O-N 3.36Å
93L63.4Low74.1Confident68 Ų6867.1 Ų67.136%0.35635%0.349SS..SBendtrans-105.3125-176.3-72.284.4000111.1L89 I90 G95 W97L89-L93 HydrophobicContact CD1-CD1 4.19Å; L89-L93 HydrophobicContact CD2-CD1 4.27Å; L89-L93 HydrophobicContact CG-CD1 3.66Å; L89-L93 WeakPolarHBondContact O-CD1 3.28Å; I90-L93 PolarHBondContact O-N 3.41Å; L93-G95 PolarHBondContact O-N 2.95Å; L93-W97 HydrophobicContact CB-CH2 4.46Å; L93-W97 HydrophobicContact CB-CZ2 3.32Å; L93-W97 HydrophobicContact CD2-CH2 3.79Å; L93-W97 HydrophobicContact CD2-CZ2 3.4Å; L93-W97 HydrophobicContact CG-CZ2 3.91Å; L93-W97 PolarHBondContact O-NE1 2.68Å
94P64.9Low74.4Confident133 Ų13364.9 Ų64.986%0.86434%0.339SS*.  trans-70.6125.1172.229.4-32.5000109.7
95G67.3Low74.9Confident44 Ų4462.6 Ų62.645%0.45433%0.329SS..SBendtrans167.7160.6172.100000114.3L93 W97L93-G95 PolarHBondContact O-N 2.95Å; G95-W97 VanDerWaalsContact O-CD1 3.25Å; G95-W97 PolarHBondContact O-N 3.16Å
96P78.9Confident75.6Confident78 Ų7865.6 Ų65.651%0.50635%0.346SS..  trans-75.661.2172.534.5-36.2000110.2I98 I99 I100P96-I98 PolarHBondContact O-N 2.87Å; P96-I99 HydrophobicContact CB-CB 4.25Å; P96-I99 HydrophobicContact CB-CD1 3.86Å; P96-I99 HydrophobicContact CB-CG1 4.04Å; P96-I99 PolarHBondContact O-N 3.4Å; P96-I100 PolarHBondContact O-N 3.22Å
97W75.3Confident76.6Confident47 Ų4768.2 Ų68.218%0.17836%0.36CS..Hα-helixtrans-51.4-34.9-175.9-76.4105.8000113.4F84 I90 L93 G95 I100 E101F84-W97 HydrophobicContact CD2-CZ3 4.29Å; F84-W97 HydrophobicContact CE2-CH2 4.31Å; F84-W97 HydrophobicContact CE2-CZ3 4.22Å; I90-W97 HydrophobicContact CD1-CB 3.72Å; I90-W97 HydrophobicContact CD1-CD2 3.23Å; I90-W97 HydrophobicContact CD1-CE3 3.45Å; I90-W97 VanDerWaalsContact CD1-CE3 3.45Å; I90-W97 HydrophobicContact CD1-CG 3.32Å; I90-W97 HydrophobicContact CD1-CZ3 4.24Å; I90-W97 HydrophobicContact CG1-CB 3.94Å; I90-W97 HydrophobicContact CG1-CD2 4.1Å; I90-W97 HydrophobicContact CG1-CG 3.69Å; L93-W97 HydrophobicContact CB-CH2 4.46Å; L93-W97 HydrophobicContact CB-CZ2 3.32Å; L93-W97 HydrophobicContact CD2-CH2 3.79Å; L93-W97 HydrophobicContact CD2-CZ2 3.4Å; L93-W97 HydrophobicContact CG-CZ2 3.91Å; L93-W97 PolarHBondContact O-NE1 2.68Å; G95-W97 VanDerWaalsContact O-CD1 3.25Å; G95-W97 PolarHBondContact O-N 3.16Å; W97-I100 PolarHBondContact O-N 3Å; W97-E101 WeakPolarHBondContact O-CB 3.37Å; W97-E101 PolarHBondContact O-N 3.36Å
98I74.7Confident77.5Confident53 Ų5364 Ų6427%0.27234%0.341SS..Hα-helixtrans-64.5-39.1177.3-171.157000113P96 F102 M164P96-I98 PolarHBondContact O-N 2.87Å; I98-F102 WeakPolarHBondContact O-CB 3.19Å; I98-F102 PolarHBondContact O-N 3.27Å; I98-M164 HydrophobicContact CD1-CB 4.47Å; I98-M164 HydrophobicContact CD1-SD 3.83Å; I98-M164 HydrophobicContact CG1-CB 4.34Å; I98-M164 HydrophobicContact CG1-CG 4.18Å; I98-M164 HydrophobicContact CG1-SD 3.27Å; I98-M164 WeakPolarHBondContact CG1-SD 3.37Å
99I78.2Confident78.9Confident108 Ų10863.3 Ų63.355%0.55434%0.339SS*.Hα-helixtrans-71-41.3178.2-55.4-177.7000109.5P96 F102 S103P96-I99 HydrophobicContact CB-CB 4.25Å; P96-I99 HydrophobicContact CB-CD1 3.86Å; P96-I99 HydrophobicContact CB-CG1 4.04Å; P96-I99 PolarHBondContact O-N 3.4Å; I99-F102 PolarHBondContact O-N 3.27Å; I99-S103 WeakPolarHBondContact O-CB 3.44Å; I99-S103 PolarHBondContact O-N 3.02Å; I99-S103 PolarHBondContact O-OG 3.45Å
100I85.6Confident80.5Confident69 Ų6965.5 Ų65.535%0.35435%0.345SS..Hα-helixtrans-61.5-51.4176.5-62.5171.6000109.7P96 W97 F102 S103 V104P96-I100 PolarHBondContact O-N 3.22Å; W97-I100 PolarHBondContact O-N 3Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.44Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-S103 VanDerWaalsContact O-N 3.16Å; I100-S103 PolarHBondContact O-OG 3.33Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.47Å
101E84.1Confident82.2Confident2 Ų266.2 Ų66.21%0.00935%0.347CS..Hα-helixtrans-60.2-41.7179.3177.5169.3-143.700112K38 F81 Y85 W97 V104 L105 R150K38-E101 WeakPolarHBondContact CE-OE1 3.45Å; K38-E101 IonicContact NZ-OE1 3.83Å; K38-E101 PolarHBondContact NZ-OE1 2.78Å; F81-E101 HydrophobicContact CE1-CB 4.15Å; F81-E101 HydrophobicContact CZ-CB 4.4Å; Y85-E101 WeakPolarHBondContact CE2-OE1 3.33Å; Y85-E101 VanDerWaalsContact OH-CD 3.25Å; Y85-E101 PolarHBondContact OH-OE2 2.89Å; W97-E101 WeakPolarHBondContact O-CB 3.37Å; W97-E101 PolarHBondContact O-N 3.36Å; E101-V104 PolarHBondContact O-N 3.37Å; E101-L105 WeakPolarHBondContact O-CB 3.3Å; E101-L105 PolarHBondContact O-N 3.03Å; E101-R150 IonicContact OE1-CZ 3.05Å; E101-R150 IonicContact OE1-NE 3.06Å; E101-R150 IonicContact OE1-NH1 3.05Å; E101-R150 PolarHBondContact OE1-NH1 3.3Å; E101-R150 IonicContact OE1-NH2 2.83Å; E101-R150 PolarHBondContact OE1-NH2 3.39Å; E101-R150 IonicContact OE2-CZ 3.97Å; E101-R150 IonicContact OE2-NE 3.79Å; E101-R150 PolarHBondContact OE2-NE 2.82Å; E101-R150 IonicContact OE2-NH1 3.48Å; E101-R150 IonicContact OE2-NH2 2.74Å
102F84.6Confident84Confident61 Ų6160.8 Ų60.827%0.26833%0.327SS..Hα-helixtrans-59.1-48.8174.3171.8-114000112I98 I99 I100 V104 L105 L106 L147 F151I98-F102 WeakPolarHBondContact O-CB 3.19Å; I98-F102 PolarHBondContact O-N 3.27Å; I99-F102 PolarHBondContact O-N 3.27Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.44Å; F102-V104 VanDerWaalsContact C-N 3.28Å; F102-V104 PolarHBondContact O-N 2.82Å; F102-L105 PolarHBondContact O-N 3Å; F102-L106 HydrophobicContact CE1-CD1 4.15Å; F102-L106 HydrophobicContact CZ-CD1 3.88Å; F102-L106 WeakPolarHBondContact O-CB 3.46Å; F102-L106 PolarHBondContact O-N 3.47Å; F102-L147 HydrophobicContact CD2-CD1 3.46Å; F102-L147 VanDerWaalsContact CD2-CD1 3.46Å; F102-L147 HydrophobicContact CE2-CD1 3.47Å; F102-L147 VanDerWaalsContact CE2-CD1 3.47Å; F102-L147 HydrophobicContact CE2-CG 4.29Å; F102-F151 HydrophobicContact CB-CE2 3.76Å; F102-F151 HydrophobicContact CB-CZ 3.75Å; F102-F151 HydrophobicContact CD1-CE2 4.44Å; F102-F151 AromaticContact CD1-CZ 3.99Å; F102-F151 HydrophobicContact CD1-CZ 3.99Å; F102-F151 AromaticContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CE1 4.27Å; F102-F151 AromaticContact CD2-CE2 2.91Å; F102-F151 HydrophobicContact CD2-CE2 2.91Å; F102-F151 AromaticContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CE1-CZ 4.38Å; F102-F151 AromaticContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CE1 4.26Å; F102-F151 AromaticContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CE2 3.45Å; F102-F151 VanDerWaalsContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CG 4.4Å; F102-F151 AromaticContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CG-CE1 4.46Å; F102-F151 AromaticContact CG-CE2 3.46Å; F102-F151 HydrophobicContact CG-CE2 3.46Å; F102-F151 VanDerWaalsContact CG-CE2 3.46Å; F102-F151 AromaticContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CZ-CE2 4.41Å; F102-F151 HydrophobicContact CZ-CZ 4.23Å
103S88.6Confident85.7Confident50 Ų5057.6 Ų57.635%0.3531%0.313SS..Hα-helixtrans-59.6-42.3179.872.20000111.3I99 I100 L106 I107I99-S103 WeakPolarHBondContact O-CB 3.44Å; I99-S103 PolarHBondContact O-N 3.02Å; I99-S103 PolarHBondContact O-OG 3.45Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-S103 VanDerWaalsContact O-N 3.16Å; I100-S103 PolarHBondContact O-OG 3.33Å; S103-L106 PolarHBondContact O-N 2.88Å; S103-I107 WeakPolarHBondContact O-CB 3.48Å; S103-I107 WeakPolarHBondContact O-CD1 3.19Å; S103-I107 WeakPolarHBondContact O-CG1 3.47Å; S103-I107 PolarHBondContact O-N 3.19Å
104V91.5Very high87.3Confident32 Ų3256.5 Ų56.519%0.19431%0.307CS..Hα-helixtrans-66.9-44.6177.7178.70000110.8C77 F81 I100 E101 F102 L106 I107 C108C77-V104 HydrophobicContact CB-CG1 4.14Å; F81-V104 HydrophobicContact CE2-CB 3.88Å; F81-V104 HydrophobicContact CE2-CG1 3.75Å; F81-V104 HydrophobicContact CE2-CG2 4.03Å; F81-V104 HydrophobicContact CZ-CB 4.2Å; F81-V104 HydrophobicContact CZ-CG2 4.03Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.47Å; E101-V104 PolarHBondContact O-N 3.37Å; F102-V104 VanDerWaalsContact C-N 3.28Å; F102-V104 PolarHBondContact O-N 2.82Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.36Å; V104-I107 PolarHBondContact O-N 2.84Å; V104-C108 VanDerWaalsContact O-CB 3.3Å; V104-C108 WeakPolarHBondContact O-CB 3.49Å; V104-C108 PolarHBondContact O-N 3.23Å; V104-C108 PolarHBondContact O-SG 3.48Å
105L91.9Very high88.8Confident7 Ų750.2 Ų50.24%0.03727%0.266CS..Hα-helixtrans-59.2-43.7175.8-83.1-169.9000112.5E101 F102 C108 T109 Y143 E146 L147E101-L105 WeakPolarHBondContact O-CB 3.3Å; E101-L105 PolarHBondContact O-N 3.03Å; F102-L105 PolarHBondContact O-N 3Å; L105-C108 PolarHBondContact O-N 3.38Å; L105-T109 WeakPolarHBondContact O-CB 3.35Å; L105-T109 PolarHBondContact O-N 3.39Å; L105-T109 PolarHBondContact O-OG1 2.83Å; L105-Y143 HydrophobicContact CD2-CD1 3.71Å; L105-Y143 HydrophobicContact CD2-CE1 3.72Å; L105-E146 HydrophobicContact CD1-CB 4.27Å; L105-E146 HydrophobicContact CD1-CG 3.9Å; L105-L147 HydrophobicContact CB-CD1 4.06Å; L105-L147 HydrophobicContact CD1-CD1 4.34Å
106L93.2Very high90.2Very high85 Ų8550.2 Ų50.245%0.44526%0.256SS..Hα-helixtrans-62.1-48179.2-172160.9000110.5F102 S103 V104 T109 F110F102-L106 HydrophobicContact CE1-CD1 4.15Å; F102-L106 HydrophobicContact CZ-CD1 3.88Å; F102-L106 WeakPolarHBondContact O-CB 3.46Å; F102-L106 PolarHBondContact O-N 3.47Å; S103-L106 PolarHBondContact O-N 2.88Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.36Å; L106-T109 WeakPolarHBondContact O-CB 3.5Å; L106-T109 PolarHBondContact O-N 2.84Å; L106-F110 PolarHBondContact O-N 3.19Å
107I96.2Very high91Very high81 Ų8150.5 Ų50.542%0.41525%0.252SS..Hα-helixtrans-62.3-46.5178.1-65.9163.2000110.7S103 V104 T109 F110 F111S103-I107 WeakPolarHBondContact O-CB 3.48Å; S103-I107 WeakPolarHBondContact O-CD1 3.19Å; S103-I107 WeakPolarHBondContact O-CG1 3.47Å; S103-I107 PolarHBondContact O-N 3.19Å; V104-I107 PolarHBondContact O-N 2.84Å; I107-T109 VanDerWaalsContact C-N 3.31Å; I107-T109 PolarHBondContact O-N 3.49Å; I107-F110 PolarHBondContact O-N 3.5Å; I107-F111 HydrophobicContact CG2-CD1 4.47Å; I107-F111 HydrophobicContact CG2-CD2 4.34Å; I107-F111 HydrophobicContact CG2-CE1 4.1Å; I107-F111 HydrophobicContact CG2-CE2 3.96Å; I107-F111 HydrophobicContact CG2-CZ 3.83Å; I107-F111 WeakPolarHBondContact O-CG 3.45Å; I107-F111 PolarHBondContact O-N 3.45Å
108C95.5Very high91.9Very high5 Ų549.9 Ų49.93%0.03425%0.254CS..Hα-helixtrans-61.6-39.2176.6-69.70000112T74 V104 L105 F110 F111 W112 Y143T74-C108 HydrophobicContact CG2-CB 4.01Å; V104-C108 VanDerWaalsContact O-CB 3.3Å; V104-C108 WeakPolarHBondContact O-CB 3.49Å; V104-C108 PolarHBondContact O-N 3.23Å; V104-C108 PolarHBondContact O-SG 3.48Å; L105-C108 PolarHBondContact O-N 3.38Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 2.98Å; C108-F111 PolarHBondContact O-N 2.83Å; C108-W112 PolarHBondContact O-N 3.46Å; C108-Y143 HydrophobicContact CB-CD1 3.78Å; C108-Y143 HydrophobicContact CB-CE1 3.27Å
109T96Very high92.7Very high18 Ų1847.4 Ų47.411%0.1124%0.241CC..Hα-helixtrans-60.5-46.3175.5-56.40000110.4L105 L106 I107 F111 W112 F113 L140 I144L105-T109 WeakPolarHBondContact O-CB 3.35Å; L105-T109 PolarHBondContact O-N 3.39Å; L105-T109 PolarHBondContact O-OG1 2.83Å; L106-T109 WeakPolarHBondContact O-CB 3.5Å; L106-T109 PolarHBondContact O-N 2.84Å; I107-T109 VanDerWaalsContact C-N 3.31Å; I107-T109 PolarHBondContact O-N 3.49Å; T109-F111 VanDerWaalsContact C-N 3.35Å; T109-F111 PolarHBondContact O-N 3.03Å; T109-W112 PolarHBondContact O-N 2.92Å; T109-F113 PolarHBondContact O-N 3.37Å; T109-L140 HydrophobicContact CG2-CD1 3.77Å; T109-L140 WeakPolarHBondContact O-CD1 3.49Å; T109-I144 HydrophobicContact CG2-CG1 3.8Å
110F96.8Very high93.4Very high116 Ų11644.3 Ų44.351%0.50923%0.231SC..Hα-helixtrans-63.3-40.9177.5-174.5-109.4000112.1L106 I107 C108 F113 I114L106-F110 PolarHBondContact O-N 3.19Å; I107-F110 PolarHBondContact O-N 3.5Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 2.98Å; F110-F113 WeakPolarHBondContact O-CB 3.43Å; F110-F113 PolarHBondContact O-N 2.97Å; F110-I114 HydrophobicContact CD1-CD1 3.83Å; F110-I114 HydrophobicContact CE1-CD1 3.36Å; F110-I114 HydrophobicContact CE1-CG1 4.31Å; F110-I114 HydrophobicContact CZ-CD1 3.76Å; F110-I114 HydrophobicContact CZ-CG1 4.35Å; F110-I114 WeakPolarHBondContact O-CG1 3.22Å; F110-I114 PolarHBondContact O-N 2.89Å
111F97.2Very high93.7Very high50 Ų5044.1 Ų44.122%0.21924%0.24CC..Hα-helixtrans-63-42.4174.5-72.9-2000112.3V70 I107 C108 T109 F113 I114 T115V70-F111 HydrophobicContact CG1-CB 3.69Å; V70-F111 HydrophobicContact CG2-CB 4.03Å; V70-F111 HydrophobicContact CG2-CD2 4.49Å; V70-F111 HydrophobicContact CG2-CG 4.4Å; I107-F111 HydrophobicContact CG2-CD1 4.47Å; I107-F111 HydrophobicContact CG2-CD2 4.34Å; I107-F111 HydrophobicContact CG2-CE1 4.1Å; I107-F111 HydrophobicContact CG2-CE2 3.96Å; I107-F111 HydrophobicContact CG2-CZ 3.83Å; I107-F111 WeakPolarHBondContact O-CG 3.45Å; I107-F111 PolarHBondContact O-N 3.45Å; C108-F111 PolarHBondContact O-N 2.83Å; T109-F111 VanDerWaalsContact C-N 3.35Å; T109-F111 PolarHBondContact O-N 3.03Å; F111-F113 VanDerWaalsContact C-N 3.3Å; F111-F113 PolarHBondContact O-N 3.26Å; F111-I114 PolarHBondContact O-N 3.3Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 PolarHBondContact O-N 3.22Å; F111-T115 PolarHBondContact O-OG1 3.28Å
112W97.6Very high93.9Very high0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-62.2-37.1174.4-82.6117.4000112.8V48 A71 C108 T109 T115 L116 S136 A139 L140 Y143V48-W112 HydrophobicContact CB-CH2 4.04Å; V48-W112 HydrophobicContact CB-CZ3 4.33Å; V48-W112 HydrophobicContact CG1-CH2 4.22Å; V48-W112 HydrophobicContact CG1-CZ3 4.16Å; V48-W112 HydrophobicContact CG2-CH2 3.81Å; V48-W112 HydrophobicContact CG2-CZ3 3.88Å; A71-W112 HydrophobicContact CB-CH2 4.39Å; C108-W112 PolarHBondContact O-N 3.46Å; T109-W112 PolarHBondContact O-N 2.92Å; W112-T115 HydrophobicContact CE3-CG2 4.19Å; W112-T115 HydrophobicContact CZ3-CG2 4.21Å; W112-T115 PolarHBondContact O-N 3.48Å; W112-L116 WeakPolarHBondContact O-CB 3.29Å; W112-L116 PolarHBondContact O-N 2.91Å; W112-S136 WeakPolarHBondContact CZ3-OG 3.35Å; W112-A139 HydrophobicContact CD2-CB 3.61Å; W112-A139 HydrophobicContact CE3-CB 3.7Å; W112-A139 HydrophobicContact CG-CB 4.23Å; W112-A139 HydrophobicContact CH2-CB 3.92Å; W112-A139 HydrophobicContact CZ2-CB 3.82Å; W112-A139 HydrophobicContact CZ3-CB 3.87Å; W112-L140 HydrophobicContact CB-CB 4.22Å; W112-L140 HydrophobicContact CB-CD1 4.17Å; W112-Y143 AromaticContact CD1-CD2 3.41Å; W112-Y143 VanDerWaalsContact CD1-CD2 3.41Å; W112-Y143 AromaticContact CD1-CE2 3.45Å; W112-Y143 VanDerWaalsContact CD1-CE2 3.45Å; W112-Y143 AromaticContact CD1-CG 3.94Å; W112-Y143 HydrophobicContact CG-CD2 4.41Å; W112-Y143 AromaticContact NE1-CD2 3.51Å; W112-Y143 AromaticContact NE1-CE2 3.06Å; W112-Y143 AromaticContact NE1-CZ 3.66Å
113F97.7Very high93.5Very high102 Ų10249.5 Ų49.545%0.44727%0.266SS..Hα-helixtrans-64.1-46.1175.7-178.1-115000112T109 F110 F111 T115 L116 I117 L140T109-F113 PolarHBondContact O-N 3.37Å; F110-F113 WeakPolarHBondContact O-CB 3.43Å; F110-F113 PolarHBondContact O-N 2.97Å; F111-F113 VanDerWaalsContact C-N 3.3Å; F111-F113 PolarHBondContact O-N 3.26Å; F113-T115 VanDerWaalsContact C-N 3.34Å; F113-T115 PolarHBondContact O-N 3.41Å; F113-L116 WeakPolarHBondContact O-CB 3.5Å; F113-L116 PolarHBondContact O-N 3.34Å; F113-I117 HydrophobicContact CD1-CD1 4.03Å; F113-I117 HydrophobicContact CE1-CD1 3.62Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CZ-CD1 3.75Å; F113-I117 WeakPolarHBondContact O-CG1 3.45Å; F113-I117 PolarHBondContact O-N 2.82Å; F113-I117 VanDerWaalsContact O-N 3.15Å; F113-L140 HydrophobicContact CB-CD1 3.95Å; F113-L140 HydrophobicContact CB-CD2 4.33Å; F113-L140 HydrophobicContact CD2-CD2 3.82Å
114I97.2Very high93.1Very high46 Ų4651.9 Ų51.924%0.23628%0.282CS..Hα-helixtrans-62.6-44.4174.8-64.6171.6000110.4W66 F110 F111 L116 I117 V118W66-I114 HydrophobicContact CZ2-CB 4.23Å; W66-I114 HydrophobicContact CZ2-CD1 4.4Å; W66-I114 HydrophobicContact CZ2-CG2 3.78Å; F110-I114 HydrophobicContact CD1-CD1 3.83Å; F110-I114 HydrophobicContact CE1-CD1 3.36Å; F110-I114 HydrophobicContact CE1-CG1 4.31Å; F110-I114 HydrophobicContact CZ-CD1 3.76Å; F110-I114 HydrophobicContact CZ-CG1 4.35Å; F110-I114 WeakPolarHBondContact O-CG1 3.22Å; F110-I114 PolarHBondContact O-N 2.89Å; F111-I114 PolarHBondContact O-N 3.3Å; I114-L116 VanDerWaalsContact C-N 3.32Å; I114-L116 PolarHBondContact O-N 3.38Å; I114-I117 PolarHBondContact O-N 3.3Å; I114-I117 VanDerWaalsContact O-N 3.12Å; I114-V118 HydrophobicContact CG2-CG2 4.03Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.5Å
115T96.5Very high92.2Very high0 Ų052.8 Ų52.80%028%0.284CS..Hα-helixtrans-59.1-41.6178.4-68.80000112.3W66 V67 V70 F111 W112 F113 V118 A119 S136W66-T115 PolarHBondContact NE1-OG1 2.82Å; V67-T115 HydrophobicContact CB-CG2 4.1Å; V67-T115 HydrophobicContact CG1-CG2 3.69Å; V67-T115 HydrophobicContact CG2-CG2 3.89Å; V70-T115 WeakPolarHBondContact CB-OG1 3.43Å; V70-T115 WeakPolarHBondContact CG1-OG1 3.49Å; V70-T115 WeakPolarHBondContact CG2-OG1 3.12Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 PolarHBondContact O-N 3.22Å; F111-T115 PolarHBondContact O-OG1 3.28Å; W112-T115 HydrophobicContact CE3-CG2 4.19Å; W112-T115 HydrophobicContact CZ3-CG2 4.21Å; W112-T115 PolarHBondContact O-N 3.48Å; F113-T115 VanDerWaalsContact C-N 3.34Å; F113-T115 PolarHBondContact O-N 3.41Å; T115-V118 PolarHBondContact O-N 3.43Å; T115-A119 VanDerWaalsContact O-CB 3.26Å; T115-A119 WeakPolarHBondContact O-CB 3.22Å; T115-A119 PolarHBondContact O-N 3.34Å; T115-S136 WeakPolarHBondContact CG2-OG 3.28Å
116L96.6Very high91.6Very high44 Ų4453.8 Ų53.823%0.2330%0.296CS..Hα-helixtrans-56.2-52.3172.2-177176.1000110.3W112 F113 I114 V118 A119 A120 A137 L140W112-L116 WeakPolarHBondContact O-CB 3.29Å; W112-L116 PolarHBondContact O-N 2.91Å; F113-L116 WeakPolarHBondContact O-CB 3.5Å; F113-L116 PolarHBondContact O-N 3.34Å; I114-L116 VanDerWaalsContact C-N 3.32Å; I114-L116 PolarHBondContact O-N 3.38Å; L116-V118 PolarHBondContact O-N 3.45Å; L116-A119 PolarHBondContact O-N 2.94Å; L116-A120 HydrophobicContact CD2-CB 4.39Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.32Å; L116-A120 PolarHBondContact O-N 3.34Å; L116-A137 HydrophobicContact CD1-CB 3.77Å; L116-A137 HydrophobicContact CG-CB 4.26Å; L116-L140 HydrophobicContact CD1-CD2 3.82Å
117I95.8Very high91.3Very high84 Ų8453.7 Ų53.743%0.43131%0.307SS..Hα-helixtrans-60.3-46.7-178.8-65.3167.6000110.8F113 I114 A120 A121F113-I117 HydrophobicContact CD1-CD1 4.03Å; F113-I117 HydrophobicContact CE1-CD1 3.62Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CZ-CD1 3.75Å; F113-I117 WeakPolarHBondContact O-CG1 3.45Å; F113-I117 PolarHBondContact O-N 2.82Å; F113-I117 VanDerWaalsContact O-N 3.15Å; I114-I117 PolarHBondContact O-N 3.3Å; I114-I117 VanDerWaalsContact O-N 3.12Å; I117-A120 PolarHBondContact O-N 3.14Å; I117-A121 VanDerWaalsContact O-CB 3.28Å; I117-A121 WeakPolarHBondContact O-CB 3.42Å; I117-A121 PolarHBondContact O-N 2.93Å
118V94.1Very high90.9Very high35 Ų3550.3 Ų50.321%0.21229%0.292CS..Hα-helixtrans-62.6-44.1-179.91710000111.3V67 I114 T115 L116 H122V67-V118 HydrophobicContact CG2-CG1 4.27Å; I114-V118 HydrophobicContact CG2-CG2 4.03Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.5Å; T115-V118 PolarHBondContact O-N 3.43Å; L116-V118 PolarHBondContact O-N 3.45Å; V118-H122 PolarHBondContact O-N 3.38Å
119A92.5Very high90.6Very high0 Ų050 Ų500%029%0.291CS..Hα-helixtrans-67.4-43.1178.200000111.5W58 T115 L116 H122 H123 A132 A133W58-A119 HydrophobicContact CH2-CB 4.2Å; W58-A119 HydrophobicContact CZ2-CB 4.46Å; T115-A119 VanDerWaalsContact O-CB 3.26Å; T115-A119 WeakPolarHBondContact O-CB 3.22Å; T115-A119 PolarHBondContact O-N 3.34Å; L116-A119 PolarHBondContact O-N 2.94Å; A119-H122 CarbonylContact O-C 3.58Å; A119-H122 PolarHBondContact O-N 3.02Å; A119-H123 PolarHBondContact O-N 3.36Å; A119-A132 HydrophobicContact CB-CB 4.42Å; A119-A133 HydrophobicContact CB-CB 3.71Å
120A92.7Very high90.3Very high43 Ų4353.5 Ų53.536%0.35531%0.307SS..Hα-helixtrans-64.9-42.5178.700000112.2L116 I117 H122 H123 A133L116-A120 HydrophobicContact CD2-CB 4.39Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.32Å; L116-A120 PolarHBondContact O-N 3.34Å; I117-A120 PolarHBondContact O-N 3.14Å; A120-H122 PolarHBondContact O-N 3.37Å; A120-H123 PolarHBondContact O-CD2 3.12Å; A120-H123 PolarHBondContact O-N 3.47Å; A120-A133 HydrophobicContact CB-CB 4.42Å
121A91.9Very high90.2Very high66 Ų6649.4 Ų49.455%0.54530%0.295SS..Hα-helixtrans-63.3-24.1177.200000112.7I117I117-A121 VanDerWaalsContact O-CB 3.28Å; I117-A121 WeakPolarHBondContact O-CB 3.42Å; I117-A121 PolarHBondContact O-N 2.93Å
122H87Confident90.1Very high57 Ų5747 Ų4726%0.26429%0.285SS..THydrogen-bonded Turntrans-105.424.4-177-75.6-163.4000113.5W58 S63 V118 A119 A120 S124 K125 A129W58-H122 AromaticContact NE1-ND1 3.83Å; S63-H122 WeakPolarHBondContact CB-CE1 3.41Å; S63-H122 WeakPolarHBondContact CB-ND1 3.37Å; S63-H122 PolarHBondContact OG-CE1 2.95Å; S63-H122 VanDerWaalsContact OG-CE1 3.3Å; S63-H122 PolarHBondContact OG-ND1 2.92Å; V118-H122 PolarHBondContact O-N 3.38Å; A119-H122 CarbonylContact O-C 3.58Å; A119-H122 PolarHBondContact O-N 3.02Å; A120-H122 PolarHBondContact O-N 3.37Å; H122-S124 PolarHBondContact O-N 2.83Å; H122-K125 HydrophobicContact CB-CD 4.23Å; H122-K125 HydrophobicContact CB-CG 4.4Å; H122-K125 PolarHBondContact CE1-NZ 2.96Å; H122-K125 PolarHBondContact ND1-NZ 3.05Å; H122-K125 PolarHBondContact NE2-NZ 3.29Å; H122-K125 WeakPolarHBondContact O-CB 3.38Å; H122-K125 PolarHBondContact O-N 2.91Å; H122-A129 WeakPolarHBondContact O-CB 3.3Å
123H77.9Confident89.9Confident119 Ų11947.7 Ų47.755%0.55129%0.29SS*.G310 helixtrans-55-26.5179.671.989000114.4A119 A120 K125 I130A119-H123 PolarHBondContact O-N 3.36Å; A120-H123 PolarHBondContact O-CD2 3.12Å; A120-H123 PolarHBondContact O-N 3.47Å; H123-K125 PolarHBondContact O-N 3.5Å; H123-I130 HydrophobicContact CB-CG1 4.03Å
124S78.6Confident89.9Confident99 Ų9946.7 Ų46.769%0.69229%0.292SS*.G310 helixtrans-68.9-12.6178.156.60000114.3H122H122-S124 PolarHBondContact O-N 2.83Å
125K74.2Confident89.9Confident51 Ų5147.7 Ų47.722%0.22230%0.295CS..G310 helixtrans-84.2-4.4-175-63.8-165.9171.2710114.8W58 H122 H123W58-K125 HydrophobicContact CB-CB 4.22Å; W58-K125 HydrophobicContact CG-CB 4.2Å; W58-K125 HydrophobicContact CG-CD 4.17Å; H122-K125 HydrophobicContact CB-CD 4.23Å; H122-K125 HydrophobicContact CB-CG 4.4Å; H122-K125 PolarHBondContact CE1-NZ 2.96Å; H122-K125 PolarHBondContact ND1-NZ 3.05Å; H122-K125 PolarHBondContact NE2-NZ 3.29Å; H122-K125 WeakPolarHBondContact O-CB 3.38Å; H122-K125 PolarHBondContact O-N 2.91Å; H123-K125 PolarHBondContact O-N 3.5Å
126G78.7Confident89.9Confident29 Ų2947.7 Ų47.730%0.29930%0.295SS..  trans134.9172.7173.900000113.9G128 A129G126-G128 PolarHBondContact O-N 2.88Å; G126-A129 PolarHBondContact O-N 3.4Å; G126-A129 VanDerWaalsContact O-N 3.12Å
127A86.4Confident89.9Confident82 Ų8247.6 Ų47.668%0.67830%0.3SS*.Hα-helixtrans-59.9-32-176.400000113.4A129 I130 A131A127-A129 VanDerWaalsContact C-N 3.32Å; A127-A129 PolarHBondContact O-N 3.36Å; A127-I130 PolarHBondContact O-N 3.37Å; A127-A131 PolarHBondContact O-N 2.89Å
128G87.5Confident90.1Very high10 Ų1047.2 Ų47.210%0.10330%0.299CS..Hα-helixtrans-69.1-26.9178.200000114.1T55 G126 A132T55-G128 VanDerWaalsContact OG1-CA 3.3Å; T55-G128 WeakPolarHBondContact OG1-CA 3.37Å; G126-G128 PolarHBondContact O-N 2.88Å; G128-A132 VanDerWaalsContact O-CB 3.22Å; G128-A132 WeakPolarHBondContact O-CB 3.26Å; G128-A132 PolarHBondContact O-N 3.28Å
129A88.7Confident90.2Very high0 Ų045.6 Ų45.60%029%0.289CS..Hα-helixtrans-68.3-41.3173.500000111.3W58 H122 G126 A127 A132 A133W58-A129 HydrophobicContact CD2-CB 4.09Å; W58-A129 HydrophobicContact CE3-CB 4.04Å; W58-A129 HydrophobicContact CH2-CB 4.33Å; W58-A129 HydrophobicContact CZ2-CB 4.39Å; W58-A129 HydrophobicContact CZ3-CB 4.15Å; H122-A129 WeakPolarHBondContact O-CB 3.3Å; G126-A129 PolarHBondContact O-N 3.4Å; G126-A129 VanDerWaalsContact O-N 3.12Å; A127-A129 VanDerWaalsContact C-N 3.32Å; A127-A129 PolarHBondContact O-N 3.36Å; A129-A132 PolarHBondContact O-N 2.93Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.04Å
130I91.1Very high90.4Very high90 Ų9046.7 Ų46.746%0.46229%0.294SS..Hα-helixtrans-65.7-46.2175.4-59.6168.1000110.2H123 A127 A132 A133 V134H123-I130 HydrophobicContact CB-CG1 4.03Å; A127-I130 PolarHBondContact O-N 3.37Å; I130-A132 PolarHBondContact O-N 2.76Å; I130-A133 WeakPolarHBondContact O-CB 3.42Å; I130-A133 PolarHBondContact O-N 3.49Å; I130-A133 VanDerWaalsContact O-N 3.17Å; I130-V134 WeakPolarHBondContact O-CG2 3.25Å; I130-V134 PolarHBondContact O-N 3Å
131A94Very high90.6Very high30 Ų3047 Ų4725%0.24830%0.297CS..Hα-helixtrans-59.6-45.8176.500000111.5C51 A127 A133 V134 F135C51-A131 HydrophobicContact CB-CB 4.43Å; A127-A131 PolarHBondContact O-N 2.89Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-A133 PolarHBondContact O-N 3.15Å; A131-V134 PolarHBondContact O-N 2.87Å; A131-F135 HydrophobicContact CB-CD2 4.45Å; A131-F135 HydrophobicContact CB-CE2 4.43Å; A131-F135 WeakPolarHBondContact O-CD2 3.45Å; A131-F135 PolarHBondContact O-N 3.38Å
132A94.8Very high90.8Very high0 Ų044.9 Ų44.90%028%0.278CS..Hα-helixtrans-59.4-41.1175.200000111.6C51 W58 A119 G128 A129 I130 S136C51-A132 HydrophobicContact CB-CB 4.14Å; W58-A132 HydrophobicContact CH2-CB 3.84Å; W58-A132 HydrophobicContact CZ3-CB 3.78Å; A119-A132 HydrophobicContact CB-CB 4.42Å; G128-A132 VanDerWaalsContact O-CB 3.22Å; G128-A132 WeakPolarHBondContact O-CB 3.26Å; G128-A132 PolarHBondContact O-N 3.28Å; A129-A132 PolarHBondContact O-N 2.93Å; I130-A132 PolarHBondContact O-N 2.76Å; A132-S136 WeakPolarHBondContact O-CB 3.35Å; A132-S136 PolarHBondContact O-N 2.94Å; A132-S136 PolarHBondContact O-OG 3.32Å
133A95Very high91.2Very high15 Ų1542.4 Ų42.412%0.12427%0.266CS..Hα-helixtrans-62.3-45.4176.200000112A119 A120 A129 I130 A131 S136 A137A119-A133 HydrophobicContact CB-CB 3.71Å; A120-A133 HydrophobicContact CB-CB 4.42Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.04Å; I130-A133 WeakPolarHBondContact O-CB 3.42Å; I130-A133 PolarHBondContact O-N 3.49Å; I130-A133 VanDerWaalsContact O-N 3.17Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-A133 PolarHBondContact O-N 3.15Å; A133-S136 PolarHBondContact O-N 3.42Å; A133-A137 PolarHBondContact O-N 3.25Å
134V96.3Very high92Very high80 Ų8040.8 Ų40.849%0.48526%0.261SS..Hα-helixtrans-62.4-51.6177.8173.50000110.8I130 A131 S136 A137 I138I130-V134 WeakPolarHBondContact O-CG2 3.25Å; I130-V134 PolarHBondContact O-N 3Å; A131-V134 PolarHBondContact O-N 2.87Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.23Å; V134-A137 WeakPolarHBondContact O-CB 3.35Å; V134-A137 PolarHBondContact O-N 3.46Å; V134-A137 VanDerWaalsContact O-N 3.14Å; V134-I138 HydrophobicContact CG1-CD1 4.21Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.5Å
135F97.2Very high92.7Very high68 Ų6839.2 Ų39.230%0.29825%0.247SC..Hα-helixtrans-66.2-31.2179.2-71.1-62.5000112.7I47 V48 A131 I138 A139I47-F135 HydrophobicContact CG2-CB 4.36Å; I47-F135 HydrophobicContact CG2-CD1 3.86Å; I47-F135 HydrophobicContact CG2-CD2 3.46Å; I47-F135 VanDerWaalsContact CG2-CD2 3.46Å; I47-F135 HydrophobicContact CG2-CE1 3.95Å; I47-F135 HydrophobicContact CG2-CE2 3.57Å; I47-F135 HydrophobicContact CG2-CG 3.63Å; I47-F135 HydrophobicContact CG2-CZ 3.82Å; V48-F135 HydrophobicContact CG2-CB 3.64Å; A131-F135 HydrophobicContact CB-CD2 4.45Å; A131-F135 HydrophobicContact CB-CE2 4.43Å; A131-F135 WeakPolarHBondContact O-CD2 3.45Å; A131-F135 PolarHBondContact O-N 3.38Å; F135-I138 HydrophobicContact CD1-CD1 4.13Å; F135-I138 PolarHBondContact O-N 3.27Å; F135-A139 WeakPolarHBondContact O-CB 3.25Å; F135-A139 PolarHBondContact O-N 3.47Å
136S97Very high93.4Very high0 Ų036.9 Ų36.90%024%0.236CC..Hα-helixtrans-68.1-35.7172.8-59.90000112.2W112 T115 A132 A133 V134 A139 L140W112-S136 WeakPolarHBondContact CZ3-OG 3.35Å; T115-S136 WeakPolarHBondContact CG2-OG 3.28Å; A132-S136 WeakPolarHBondContact O-CB 3.35Å; A132-S136 PolarHBondContact O-N 2.94Å; A132-S136 PolarHBondContact O-OG 3.32Å; A133-S136 PolarHBondContact O-N 3.42Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.23Å; S136-A139 PolarHBondContact O-N 3.24Å; S136-L140 VanDerWaalsContact O-CB 3.28Å; S136-L140 WeakPolarHBondContact O-CB 3.49Å; S136-L140 PolarHBondContact O-N 3.17Å
137A97.6Very high93.9Very high41 Ų4137.3 Ų37.334%0.33923%0.232SC..Hα-helixtrans-66.4-40.617300000111.8L116 A133 V134 L140 A141L116-A137 HydrophobicContact CD1-CB 3.77Å; L116-A137 HydrophobicContact CG-CB 4.26Å; A133-A137 PolarHBondContact O-N 3.25Å; V134-A137 WeakPolarHBondContact O-CB 3.35Å; V134-A137 PolarHBondContact O-N 3.46Å; V134-A137 VanDerWaalsContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 2.84Å; A137-A141 PolarHBondContact O-N 3.18Å
138I98.1Very high93.8Very high77 Ų7736.1 Ų36.140%0.39522%0.222SC..Hα-helixtrans-65.6-42.8173.9-56.2168.1000109.9L44 V134 F135 L140 A141 V142L44-I138 HydrophobicContact CD2-CB 3.96Å; L44-I138 HydrophobicContact CD2-CG2 3.64Å; V134-I138 HydrophobicContact CG1-CD1 4.21Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.5Å; F135-I138 HydrophobicContact CD1-CD1 4.13Å; F135-I138 PolarHBondContact O-N 3.27Å; I138-L140 PolarHBondContact O-N 3Å; I138-A141 WeakPolarHBondContact O-CB 3.23Å; I138-A141 PolarHBondContact O-N 3.33Å; I138-V142 WeakPolarHBondContact O-CG2 3.48Å; I138-V142 PolarHBondContact O-N 2.61Å
139A97Very high93.6Very high1 Ų137.5 Ų37.51%0.00823%0.229CC..Hα-helixtrans-61.1-46.5177.600000110.7L44 W112 F135 S136 A141 V142 Y143L44-A139 HydrophobicContact CB-CB 4.27Å; L44-A139 VanDerWaalsContact CD2-CA 3.48Å; L44-A139 HydrophobicContact CD2-CB 3.87Å; W112-A139 HydrophobicContact CD2-CB 3.61Å; W112-A139 HydrophobicContact CE3-CB 3.7Å; W112-A139 HydrophobicContact CG-CB 4.23Å; W112-A139 HydrophobicContact CH2-CB 3.92Å; W112-A139 HydrophobicContact CZ2-CB 3.82Å; W112-A139 HydrophobicContact CZ3-CB 3.87Å; F135-A139 WeakPolarHBondContact O-CB 3.25Å; F135-A139 PolarHBondContact O-N 3.47Å; S136-A139 PolarHBondContact O-N 3.24Å; A139-A141 VanDerWaalsContact C-N 3.31Å; A139-A141 PolarHBondContact O-N 2.97Å; A139-V142 PolarHBondContact O-N 2.86Å; A139-V142 VanDerWaalsContact O-N 3.13Å; A139-Y143 VanDerWaalsContact O-CD2 3.32Å; A139-Y143 WeakPolarHBondContact O-CD2 3.4Å; A139-Y143 PolarHBondContact O-N 3.39Å
140L97.5Very high92.8Very high22 Ų2237.8 Ų37.812%0.11523%0.23CC..Hα-helixtrans-54.6-47.2174179.265.6000111.5T109 W112 F113 L116 S136 A137 I138 V142 Y143 I144T109-L140 HydrophobicContact CG2-CD1 3.77Å; T109-L140 WeakPolarHBondContact O-CD1 3.49Å; W112-L140 HydrophobicContact CB-CB 4.22Å; W112-L140 HydrophobicContact CB-CD1 4.17Å; F113-L140 HydrophobicContact CB-CD1 3.95Å; F113-L140 HydrophobicContact CB-CD2 4.33Å; F113-L140 HydrophobicContact CD2-CD2 3.82Å; L116-L140 HydrophobicContact CD1-CD2 3.82Å; S136-L140 VanDerWaalsContact O-CB 3.28Å; S136-L140 WeakPolarHBondContact O-CB 3.49Å; S136-L140 PolarHBondContact O-N 3.17Å; A137-L140 PolarHBondContact O-N 2.84Å; I138-L140 PolarHBondContact O-N 3Å; L140-V142 PolarHBondContact O-N 3.46Å; L140-Y143 PolarHBondContact O-N 2.86Å; L140-I144 HydrophobicContact CD1-CD1 4.06Å; L140-I144 HydrophobicContact CD1-CG1 4.39Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 WeakPolarHBondContact O-CB 3.3Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.5Å; L140-I144 PolarHBondContact O-N 3.39Å
141A97Very high91.7Very high50 Ų5036.2 Ų36.241%0.41322%0.22SC..Hα-helixtrans-60.9-44.6176.800000111.9A137 I138 A139 Y143 I144 T145A137-A141 PolarHBondContact O-N 3.18Å; I138-A141 WeakPolarHBondContact O-CB 3.23Å; I138-A141 PolarHBondContact O-N 3.33Å; A139-A141 VanDerWaalsContact C-N 3.31Å; A139-A141 PolarHBondContact O-N 2.97Å; A141-Y143 PolarHBondContact O-N 2.94Å; A141-I144 PolarHBondContact O-N 2.96Å; A141-T145 VanDerWaalsContact O-CG2 3.31Å; A141-T145 WeakPolarHBondContact O-CG2 3.36Å; A141-T145 PolarHBondContact O-N 3.46Å; A141-T145 PolarHBondContact O-OG1 3.35Å
142V95.9Very high90.4Very high22 Ų2243.6 Ų43.613%0.13324%0.241CC..Hα-helixtrans-59.8-46.1176.6172.80000111L37 C40 Q41 L44 I138 A139 L140 I144 T145 E146L37-V142 HydrophobicContact CD2-CG1 4.3Å; C40-V142 HydrophobicContact CB-CG1 4.25Å; Q41-V142 HydrophobicContact CG-CG1 3.76Å; L44-V142 HydrophobicContact CD2-CG2 4.25Å; I138-V142 WeakPolarHBondContact O-CG2 3.48Å; I138-V142 PolarHBondContact O-N 2.61Å; A139-V142 PolarHBondContact O-N 2.86Å; A139-V142 VanDerWaalsContact O-N 3.13Å; L140-V142 PolarHBondContact O-N 3.46Å; V142-I144 PolarHBondContact O-N 3Å; V142-T145 WeakPolarHBondContact CA-OG1 3.15Å; V142-T145 PolarHBondContact O-N 3.08Å; V142-T145 PolarHBondContact O-OG1 2.89Å; V142-E146 PolarHBondContact O-N 3.04Å
143Y94.8Very high88.4Confident4 Ų445.7 Ų45.72%0.01626%0.255CS..Hα-helixtrans-62.7-42.3176.9-90.7-93.3000112.5Q41 L105 C108 W112 A139 L140 A141 T145 E146 L147Q41-Y143 HydrophobicContact CB-CE2 3.9Å; Q41-Y143 HydrophobicContact CG-CD2 3.88Å; Q41-Y143 HydrophobicContact CG-CE2 3.44Å; Q41-Y143 VanDerWaalsContact CG-CE2 3.44Å; L105-Y143 HydrophobicContact CD2-CD1 3.71Å; L105-Y143 HydrophobicContact CD2-CE1 3.72Å; C108-Y143 HydrophobicContact CB-CD1 3.78Å; C108-Y143 HydrophobicContact CB-CE1 3.27Å; W112-Y143 AromaticContact CD1-CD2 3.41Å; W112-Y143 VanDerWaalsContact CD1-CD2 3.41Å; W112-Y143 AromaticContact CD1-CE2 3.45Å; W112-Y143 VanDerWaalsContact CD1-CE2 3.45Å; W112-Y143 AromaticContact CD1-CG 3.94Å; W112-Y143 HydrophobicContact CG-CD2 4.41Å; W112-Y143 AromaticContact NE1-CD2 3.51Å; W112-Y143 AromaticContact NE1-CE2 3.06Å; W112-Y143 AromaticContact NE1-CZ 3.66Å; A139-Y143 VanDerWaalsContact O-CD2 3.32Å; A139-Y143 WeakPolarHBondContact O-CD2 3.4Å; A139-Y143 PolarHBondContact O-N 3.39Å; L140-Y143 PolarHBondContact O-N 2.86Å; A141-Y143 PolarHBondContact O-N 2.94Å; Y143-T145 PolarHBondContact O-N 3.45Å; Y143-E146 PolarHBondContact O-N 3.42Å; Y143-L147 WeakPolarHBondContact O-CB 3.43Å; Y143-L147 PolarHBondContact O-N 3.5Å
144I94.8Very high86.5Confident86 Ų8649.7 Ų49.744%0.44127%0.271SS..Hα-helixtrans-62.5-42.6174.4-69.6169.6000110.8T109 L140 A141 V142 L147 A148T109-I144 HydrophobicContact CG2-CG1 3.8Å; L140-I144 HydrophobicContact CD1-CD1 4.06Å; L140-I144 HydrophobicContact CD1-CG1 4.39Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 WeakPolarHBondContact O-CB 3.3Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.5Å; L140-I144 PolarHBondContact O-N 3.39Å; A141-I144 PolarHBondContact O-N 2.96Å; V142-I144 PolarHBondContact O-N 3Å; I144-L147 PolarHBondContact O-N 2.83Å; I144-A148 VanDerWaalsContact O-CB 3.3Å; I144-A148 WeakPolarHBondContact O-CB 3.42Å; I144-A148 PolarHBondContact O-N 3.37Å
145T92.2Very high84.1Confident66 Ų6656.4 Ų56.441%0.40529%0.288SS..Hα-helixtrans-66.2-37.4177.858.90000112.5A141 V142 Y143 A148 T149A141-T145 VanDerWaalsContact O-CG2 3.31Å; A141-T145 WeakPolarHBondContact O-CG2 3.36Å; A141-T145 PolarHBondContact O-N 3.46Å; A141-T145 PolarHBondContact O-OG1 3.35Å; V142-T145 WeakPolarHBondContact CA-OG1 3.15Å; V142-T145 PolarHBondContact O-N 3.08Å; V142-T145 PolarHBondContact O-OG1 2.89Å; Y143-T145 PolarHBondContact O-N 3.45Å; T145-A148 PolarHBondContact O-N 3.49Å; T145-T149 WeakPolarHBondContact O-CB 3.49Å; T145-T149 VanDerWaalsContact O-CG2 3.29Å; T145-T149 WeakPolarHBondContact O-CG2 3.34Å; T145-T149 PolarHBondContact O-N 2.72Å; T145-T149 PolarHBondContact O-OG1 3.12Å
146E90.6Very high81.8Confident1 Ų160.9 Ų60.91%0.00530%0.303CS..Hα-helixtrans-66.1-41.7174-164.7172.9144.800110.8L37 K38 Q41 L105 V142 Y143 A148 T149 R150L37-E146 HydrophobicContact CB-CG 4.43Å; L37-E146 HydrophobicContact CD1-CB 4.11Å; L37-E146 HydrophobicContact CD1-CG 4.2Å; K38-E146 IonicContact NZ-OE1 2.67Å; K38-E146 PolarHBondContact NZ-OE1 2.91Å; Q41-E146 VanDerWaalsContact CD-OE2 3.23Å; Q41-E146 PolarHBondContact NE2-OE2 3.41Å; Q41-E146 PolarHBondContact OE1-OE2 2.9Å; L105-E146 HydrophobicContact CD1-CB 4.27Å; L105-E146 HydrophobicContact CD1-CG 3.9Å; V142-E146 PolarHBondContact O-N 3.04Å; Y143-E146 PolarHBondContact O-N 3.42Å; E146-A148 PolarHBondContact O-N 2.95Å; E146-T149 WeakPolarHBondContact CA-OG1 3.31Å; E146-T149 PolarHBondContact O-N 2.88Å; E146-T149 PolarHBondContact O-OG1 2.85Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.44Å; E146-R150 IonicContact OE1-CZ 2.74Å; E146-R150 IonicContact OE1-NH1 2.89Å; E146-R150 PolarHBondContact OE1-NH1 3.42Å; E146-R150 IonicContact OE1-NH2 3.67Å; E146-R150 PolarHBondContact OE1-NH2 3.32Å
147L87.5Confident80.2Confident39 Ų3964.1 Ų64.120%0.20434%0.336CS..Hα-helixtrans-61.5-46.2175.8-163.367.5000111.8F102 L105 Y143 I144 R150 F151F102-L147 HydrophobicContact CD2-CD1 3.46Å; F102-L147 VanDerWaalsContact CD2-CD1 3.46Å; F102-L147 HydrophobicContact CE2-CD1 3.47Å; F102-L147 VanDerWaalsContact CE2-CD1 3.47Å; F102-L147 HydrophobicContact CE2-CG 4.29Å; L105-L147 HydrophobicContact CB-CD1 4.06Å; L105-L147 HydrophobicContact CD1-CD1 4.34Å; Y143-L147 WeakPolarHBondContact O-CB 3.43Å; Y143-L147 PolarHBondContact O-N 3.5Å; I144-L147 PolarHBondContact O-N 2.83Å; L147-R150 PolarHBondContact O-N 3.2Å; L147-F151 PolarHBondContact O-N 3.43Å; L147-F151 VanDerWaalsContact O-N 3.08Å
148A86.1Confident78.4Confident57 Ų5771 Ų7147%0.47137%0.368SS..Hα-helixtrans-67.3-40-179.700000112.3I144 T145 E146 F151 R152I144-A148 VanDerWaalsContact O-CB 3.3Å; I144-A148 WeakPolarHBondContact O-CB 3.42Å; I144-A148 PolarHBondContact O-N 3.37Å; T145-A148 PolarHBondContact O-N 3.49Å; E146-A148 PolarHBondContact O-N 2.95Å; A148-F151 CarbonylContact O-C 3.5Å; A148-F151 PolarHBondContact O-N 3.12Å; A148-R152 WeakPolarHBondContact O-CG 3.27Å; A148-R152 PolarHBondContact O-N 3.23Å
149T81.6Confident76.2Confident39 Ų3969.2 Ų69.224%0.23937%0.367CS..Hα-helixtrans-67-37.5176.748.50000111.5L33 T145 E146 T165L33-T149 HydrophobicContact CD2-CG2 4.2Å; T145-T149 WeakPolarHBondContact O-CB 3.49Å; T145-T149 VanDerWaalsContact O-CG2 3.29Å; T145-T149 WeakPolarHBondContact O-CG2 3.34Å; T145-T149 PolarHBondContact O-N 2.72Å; T145-T149 PolarHBondContact O-OG1 3.12Å; E146-T149 WeakPolarHBondContact CA-OG1 3.31Å; E146-T149 PolarHBondContact O-N 2.88Å; E146-T149 PolarHBondContact O-OG1 2.85Å; T149-T165 PolarHBondContact O-OG1 3.41Å
150R73.5Confident74Confident5 Ų575.1 Ų75.12%0.01939%0.393CS..Hα-helixtrans-68.9-35.6176-71.9-131.9176.678.117.5114.2S34 E101 E146 L147 M164S34-R150 PolarHBondContact OG-NH2 3.38Å; E101-R150 IonicContact OE1-CZ 3.05Å; E101-R150 IonicContact OE1-NE 3.06Å; E101-R150 IonicContact OE1-NH1 3.05Å; E101-R150 PolarHBondContact OE1-NH1 3.3Å; E101-R150 IonicContact OE1-NH2 2.83Å; E101-R150 PolarHBondContact OE1-NH2 3.39Å; E101-R150 IonicContact OE2-CZ 3.97Å; E101-R150 IonicContact OE2-NE 3.79Å; E101-R150 PolarHBondContact OE2-NE 2.82Å; E101-R150 IonicContact OE2-NH1 3.48Å; E101-R150 IonicContact OE2-NH2 2.74Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.44Å; E146-R150 IonicContact OE1-CZ 2.74Å; E146-R150 IonicContact OE1-NH1 2.89Å; E146-R150 PolarHBondContact OE1-NH1 3.42Å; E146-R150 IonicContact OE1-NH2 3.67Å; E146-R150 PolarHBondContact OE1-NH2 3.32Å; L147-R150 PolarHBondContact O-N 3.2Å; R150-M164 VanDerWaalsContact O-CE 3.23Å; R150-M164 WeakPolarHBondContact O-CE 3.07Å
151F68.1Low72Confident58 Ų5876.9 Ų76.925%0.25440%0.402SS..EExtended strand (participates in β ladder)trans-110.540.2-178.6-73.3-98.4000112.2F102 L147 A148 C153 I162 M164F102-F151 HydrophobicContact CB-CE2 3.76Å; F102-F151 HydrophobicContact CB-CZ 3.75Å; F102-F151 HydrophobicContact CD1-CE2 4.44Å; F102-F151 AromaticContact CD1-CZ 3.99Å; F102-F151 HydrophobicContact CD1-CZ 3.99Å; F102-F151 AromaticContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CE1 4.27Å; F102-F151 AromaticContact CD2-CE2 2.91Å; F102-F151 HydrophobicContact CD2-CE2 2.91Å; F102-F151 AromaticContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CE1-CZ 4.38Å; F102-F151 AromaticContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CE1 4.26Å; F102-F151 AromaticContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CE2 3.45Å; F102-F151 VanDerWaalsContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CG 4.4Å; F102-F151 AromaticContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CG-CE1 4.46Å; F102-F151 AromaticContact CG-CE2 3.46Å; F102-F151 HydrophobicContact CG-CE2 3.46Å; F102-F151 VanDerWaalsContact CG-CE2 3.46Å; F102-F151 AromaticContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CZ-CE2 4.41Å; F102-F151 HydrophobicContact CZ-CZ 4.23Å; L147-F151 PolarHBondContact O-N 3.43Å; L147-F151 VanDerWaalsContact O-N 3.08Å; A148-F151 CarbonylContact O-C 3.5Å; A148-F151 PolarHBondContact O-N 3.12Å; F151-C153 PolarHBondContact O-N 2.96Å; F151-C153 PolarHBondContact O-SG 3.48Å; F151-I162 HydrophobicContact CD1-CG2 3.73Å; F151-I162 HydrophobicContact CE1-CG2 4.22Å; F151-M164 HydrophobicContact CB-CE 4.47Å; F151-M164 HydrophobicContact CD1-CE 3.26Å; F151-M164 HydrophobicContact CD2-CE 3.76Å; F151-M164 HydrophobicContact CE1-CE 3.13Å; F151-M164 HydrophobicContact CE1-SD 4.09Å; F151-M164 HydrophobicContact CE2-CE 3.56Å; F151-M164 HydrophobicContact CG-CE 3.58Å; F151-M164 HydrophobicContact CZ-CE 3.28Å; F151-M164 HydrophobicContact CZ-SD 3.98Å
152R64.8Low69.9Low185 Ų18578.2 Ų78.270%0.69840%0.401SS*.EExtended strand (participates in β ladder)trans-67.692167.2-64.1-172.278.8-157.54107.9A148 E154A148-R152 WeakPolarHBondContact O-CG 3.27Å; A148-R152 PolarHBondContact O-N 3.23Å; R152-E154 PolarHBondContact O-N 3.46Å
153C53.8Low68Low44 Ų4479.5 Ų79.530%0.29741%0.41SS..EExtended strand (participates in β ladder)trans-79.8115.3176.3-50.70000108.5F151 F160 I161F151-C153 PolarHBondContact O-N 2.96Å; F151-C153 PolarHBondContact O-SG 3.48Å; C153-F160 HydrophobicContact CB-CD1 4.14Å; C153-F160 HydrophobicContact CB-CD2 3.8Å; C153-F160 HydrophobicContact CB-CE1 3.44Å; C153-F160 VanDerWaalsContact CB-CE1 3.44Å; C153-F160 HydrophobicContact CB-CE2 3.03Å; C153-F160 HydrophobicContact CB-CG 4.33Å; C153-F160 HydrophobicContact CB-CZ 2.87Å; C153-F160 WeakPolarHBondContact SG-CE1 3.48Å; C153-F160 WeakPolarHBondContact SG-CZ 3.38Å; C153-I161 WeakPolarHBondContact CA-O 3.47Å
154E54.4Low66Low99 Ų9982.2 Ų82.246%0.46342%0.423SS..EExtended strand (participates in β ladder)trans-93.3120.7179.9-161.4171.7148.300107.6R152 R156 I161R152-E154 PolarHBondContact O-N 3.46Å; E154-R156 HydrophobicContact CG-CG 4.32Å; E154-R156 PolarHBondContact O-N 3.35Å; E154-R156 VanDerWaalsContact O-N 3.09Å; E154-R156 IonicContact OE1-NE 3.64Å; E154-I161 PolarHBondContact N-O 3.35Å; E154-I161 PolarHBondContact O-N 3.25Å
155R45.6Very low64.2Low221 Ų22181 Ų8183%0.83442%0.42SS*.EExtended strand (participates in β ladder)trans-69.5103.3165.4-86.5-170.5176.3151.7-0.9107.4
156R50Low62.3Low162 Ų16279.4 Ų79.461%0.61142%0.416SS*.EExtended strand (participates in β ladder)trans-102.9102.8166.1-77.1-171.2174.7-173.10.4107.9E154 G159 I161E154-R156 HydrophobicContact CG-CG 4.32Å; E154-R156 PolarHBondContact O-N 3.35Å; E154-R156 VanDerWaalsContact O-N 3.09Å; E154-R156 IonicContact OE1-NE 3.64Å; R156-G159 PolarHBondContact N-O 3.49Å; R156-G159 PolarHBondContact O-N 3.21Å; R156-I161 HydrophobicContact CB-CD1 4.35Å
157G62.7Low60.1Low68 Ų6881.9 Ų81.970%0.70143%0.431SS*.THydrogen-bonded Turntrans65.7-133.1-179.100000113G159G157-G159 VanDerWaalsContact C-N 3.3Å
158N60.1Low57.8Low186 Ų18686.8 Ų86.8100%0.99546%0.455SS*.THydrogen-bonded Turntrans-85.8-0.2178.4-76.623.2000113.5
159G51.6Low55.6Low38 Ų3887.7 Ų87.739%0.39246%0.455SS..EExtended strand (participates in β ladder)trans-105.9157.1178.200000112.7R156 G157R156-G159 PolarHBondContact N-O 3.49Å; R156-G159 PolarHBondContact O-N 3.21Å; G157-G159 VanDerWaalsContact C-N 3.3Å
160F50.6Low53.4Low125 Ų12592 Ų9255%0.54848%0.481SS..EExtended strand (participates in β ladder)trans-108.8107.5171.9-174.8-107.9000108.4C153 I162C153-F160 HydrophobicContact CB-CD1 4.14Å; C153-F160 HydrophobicContact CB-CD2 3.8Å; C153-F160 HydrophobicContact CB-CE1 3.44Å; C153-F160 VanDerWaalsContact CB-CE1 3.44Å; C153-F160 HydrophobicContact CB-CE2 3.03Å; C153-F160 HydrophobicContact CB-CG 4.33Å; C153-F160 HydrophobicContact CB-CZ 2.87Å; C153-F160 WeakPolarHBondContact SG-CE1 3.48Å; C153-F160 WeakPolarHBondContact SG-CZ 3.38Å; F160-I162 HydrophobicContact CD1-CD1 4.2Å; F160-I162 HydrophobicContact CD1-CG1 3.61Å; F160-I162 HydrophobicContact CE1-CD1 3.85Å; F160-I162 HydrophobicContact CE1-CG1 3.46Å; F160-I162 VanDerWaalsContact CE1-CG1 3.46Å
161I55.1Low51.6Low60 Ų6098 Ų9831%0.30851%0.509SS..EExtended strand (participates in β ladder)trans-94.4118.6171.7-67.2167.2000107.1C153 E154 R156 T163C153-I161 WeakPolarHBondContact CA-O 3.47Å; E154-I161 PolarHBondContact N-O 3.35Å; E154-I161 PolarHBondContact O-N 3.25Å; R156-I161 HydrophobicContact CB-CD1 4.35Å; I161-T163 PolarHBondContact O-N 3.02Å
162I54.1Low50Low77 Ų7799.3 Ų99.340%0.39553%0.531SS..EExtended strand (participates in β ladder)trans-80.394.7168.7-54.2-176.9000106.3F151 F160 M164F151-I162 HydrophobicContact CD1-CG2 3.73Å; F151-I162 HydrophobicContact CE1-CG2 4.22Å; F160-I162 HydrophobicContact CD1-CD1 4.2Å; F160-I162 HydrophobicContact CD1-CG1 3.61Å; F160-I162 HydrophobicContact CE1-CD1 3.85Å; F160-I162 HydrophobicContact CE1-CG1 3.46Å; F160-I162 VanDerWaalsContact CE1-CG1 3.46Å; I162-M164 VanDerWaalsContact C-N 3.34Å; I162-M164 HydrophobicContact CG2-CE 3.38Å; I162-M164 HydrophobicContact CG2-CG 4.31Å; I162-M164 HydrophobicContact CG2-SD 4.39Å; I162-M164 PolarHBondContact O-N 3.22Å
163T55.2Low48.6Very low50 Ų5095 Ų9531%0.30753%0.525SS..EExtended strand (participates in β ladder)trans-7295.5173.1-580000107.9I161 T165I161-T163 PolarHBondContact O-N 3.02Å; T163-T165 HydrophobicContact CG2-CG2 4.37Å; T163-T165 PolarHBondContact O-N 3.05Å; T163-T165 VanDerWaalsContact O-N 3.08Å
164M53.6Low47.9Very low61 Ų61101.6 Ų101.630%0.355%0.551SS.*EExtended strand (participates in β ladder)trans-71.898.1171.9-61-92.585.900107.8I98 R150 F151 I162 G166I98-M164 HydrophobicContact CD1-CB 4.47Å; I98-M164 HydrophobicContact CD1-SD 3.83Å; I98-M164 HydrophobicContact CG1-CB 4.34Å; I98-M164 HydrophobicContact CG1-CG 4.18Å; I98-M164 HydrophobicContact CG1-SD 3.27Å; I98-M164 WeakPolarHBondContact CG1-SD 3.37Å; R150-M164 VanDerWaalsContact O-CE 3.23Å; R150-M164 WeakPolarHBondContact O-CE 3.07Å; F151-M164 HydrophobicContact CB-CE 4.47Å; F151-M164 HydrophobicContact CD1-CE 3.26Å; F151-M164 HydrophobicContact CD2-CE 3.76Å; F151-M164 HydrophobicContact CE1-CE 3.13Å; F151-M164 HydrophobicContact CE1-SD 4.09Å; F151-M164 HydrophobicContact CE2-CE 3.56Å; F151-M164 HydrophobicContact CG-CE 3.58Å; F151-M164 HydrophobicContact CZ-CE 3.28Å; F151-M164 HydrophobicContact CZ-SD 3.98Å; I162-M164 VanDerWaalsContact C-N 3.34Å; I162-M164 HydrophobicContact CG2-CE 3.38Å; I162-M164 HydrophobicContact CG2-CG 4.31Å; I162-M164 HydrophobicContact CG2-SD 4.39Å; I162-M164 PolarHBondContact O-N 3.22Å; M164-G166 PolarHBondContact O-N 2.93Å
165T56.1Low46.8Very low61 Ų6199 Ų9937%0.37455%0.551SS.*  trans-73.370.8167.163.40000108.5T149 T163T149-T165 PolarHBondContact O-OG1 3.41Å; T163-T165 HydrophobicContact CG2-CG2 4.37Å; T163-T165 PolarHBondContact O-N 3.05Å; T163-T165 VanDerWaalsContact O-N 3.08Å
166G53.3Low46.4Very low31 Ų3193.6 Ų93.632%0.3254%0.544SS..  trans-67.3167.6153.800000108.9M164 M168M164-G166 PolarHBondContact O-N 2.93Å; G166-M168 PolarHBondContact O-N 3.39Å
167V44.2Very low45.9Very low53 Ų5390.6 Ų90.632%0.32155%0.546SS..  trans-54.5107169.6-178.60000107F29 Y85 T169F29-V167 HydrophobicContact CD2-CG2 3.66Å; F29-V167 HydrophobicContact CE2-CG2 3.6Å; Y85-V167 HydrophobicContact CD1-CG2 4.14Å; Y85-V167 HydrophobicContact CE1-CG2 4.46Å; V167-T169 PolarHBondContact O-N 3.3Å
168M39.6Very low44.5Very low143 Ų14394.1 Ų94.170%0.70455%0.554SS**  trans-57.7106.4172.2-76.4-82.515500105.6G166 T170G166-M168 PolarHBondContact O-N 3.39Å; M168-T170 VanDerWaalsContact C-N 3.27Å; M168-T170 PolarHBondContact O-N 3.2Å
169T39Very low43.6Very low76 Ų7694 Ų9447%0.46655%0.545SS..  trans-64.6101.9166.946.10000104.7V167 H171V167-T169 PolarHBondContact O-N 3.3Å; T169-H171 PolarHBondContact O-N 3.47Å
170T35.7Very low42.7Very low129 Ų12996.7 Ų96.779%0.79156%0.564SS**  trans-60.191.8168.7490000106M168 A172M168-T170 VanDerWaalsContact C-N 3.27Å; M168-T170 PolarHBondContact O-N 3.2Å; T170-A172 PolarHBondContact O-N 3.21Å
171H35Very low42.1Very low131 Ų13199.6 Ų99.661%0.60658%0.579SS**  trans-63.396.4154.3-81.7-79.2000103.8R15 T169 T173R15-H171 PolarHBondContact NH1-ND1 2.94Å; T169-H171 PolarHBondContact O-N 3.47Å; H171-T173 PolarHBondContact O-N 2.84Å; H171-T173 PolarHBondContact O-OG1 3.36Å
172A35.6Very low40.9Very low86 Ų86102.2 Ų102.271%0.71160%0.6SS**  trans-61.489.5163.400000105.5T170 H174T170-A172 PolarHBondContact O-N 3.21Å; A172-H174 PolarHBondContact O-N 3.36Å
173T35.7Very low39.7Very low95 Ų95103 Ų10358%0.58362%0.618SS**  trans-69.189.8165.5-43.50000103.9R15 H171 G175R15-T173 VanDerWaalsContact NH2-CG2 3.31Å; H171-T173 PolarHBondContact O-N 2.84Å; H171-T173 PolarHBondContact O-OG1 3.36Å; T173-G175 VanDerWaalsContact C-N 3.28Å; T173-G175 PolarHBondContact O-N 2.9Å
174H38.2Very low38.7Very low182 Ų182107 Ų10784%0.84364%0.644SS**  trans-58.5106.6163.5-149.6-72.4000104.2A172A172-H174 PolarHBondContact O-N 3.36Å
175G32.5Very low37.6Very low44 Ų44107.7 Ų107.745%0.45467%0.667SS.*PPolyproline II helixtrans-52.2136.3-176.800000108.4T173T173-G175 VanDerWaalsContact C-N 3.28Å; T173-G175 PolarHBondContact O-N 2.9Å
176P37Very low36.4Very low108 Ų108113.4 Ų113.470%0.70169%0.69SS**PPolyproline II helixtrans-53.7136.8176.621.8-30.6000108T178P176-T178 PolarHBondContact O-N 3.01Å; P176-T178 VanDerWaalsContact O-N 3.11Å
177P38.2Very low35.4Very low98 Ų98119.9 Ų119.964%0.63671%0.714SS**PPolyproline II helixtrans-49.7127176.519-29.9000108.2F179P177-F179 VanDerWaalsContact C-N 3.34Å; P177-F179 HydrophobicContact CB-CE2 4.47Å; P177-F179 HydrophobicContact CG-CE2 4.06Å; P177-F179 VanDerWaalsContact O-CD2 3.28Å; P177-F179 WeakPolarHBondContact O-CD2 3.38Å; P177-F179 PolarHBondContact O-N 3.25Å
178T33.5Very low34.7Very low143 Ų143125.8 Ų125.888%0.87774%0.738SS**  trans-5493.2-175.1-51.10000110.2P176P176-T178 PolarHBondContact O-N 3.01Å; P176-T178 VanDerWaalsContact O-N 3.11Å
179F41.9Very low34.3Very low182 Ų182124 Ų12480%0.79875%0.746SS**  trans-89.2112.7161.2-74-75000106.5P177 Q181P177-F179 VanDerWaalsContact C-N 3.34Å; P177-F179 HydrophobicContact CB-CE2 4.47Å; P177-F179 HydrophobicContact CG-CE2 4.06Å; P177-F179 VanDerWaalsContact O-CD2 3.28Å; P177-F179 WeakPolarHBondContact O-CD2 3.38Å; P177-F179 PolarHBondContact O-N 3.25Å; F179-Q181 PolarHBondContact O-N 3.32Å
180A32.8Very low34Very low96 Ų96129.2 Ų129.279%0.79377%0.765SS**  trans-50.4108.9179.500000110.3
181Q37.8Very low33.9Very low185 Ų185128 Ų12886%0.86476%0.762SS**PPolyproline II helixtrans-80.1131.1177.5-138.2-165.9-68.700109.5F179F179-Q181 PolarHBondContact O-N 3.32Å
182P30Very low33.9Very low115 Ų115128.3 Ų128.375%0.74777%0.773SS**PPolyproline II helixtrans-70.6153.7175.5-15.830.2000112.7
183A30Very low33.6Very low95 Ų95130.5 Ų130.579%0.78577%0.772SS**PPolyproline II helixtrans-54.7158.8-167.800000117.1
184P33.2Very low33.4Very low132 Ų132131.5 Ų131.586%0.85778%0.78SS**PPolyproline II helixtrans-83.1131.2-159.50.817.1000113.7
185G30.4Very low33.1Very low76 Ų76131 Ų13178%0.78478%0.778SS**PPolyproline II helixtrans-87.6124.6167.500000111.5
186H30.4Very low33.1Very low182 Ų182137 Ų13784%0.84380%0.798SS**PPolyproline II helixtrans-48.2132.5167.8-103.6-67.6000113.2
187M33Very low32.9Very low166 Ų166134.8 Ų134.882%0.81879%0.794SS**  trans-168.3103.9145.7-107.8172-7700108.5
188Q29.5Very low32.6Very low177 Ų177140.2 Ų140.283%0.82781%0.808SS**  85.3117.4101.9-83.6-172.8-49.200113.1
189A30.7Very low32.7Very low107 Ų107137.5 Ų137.588%0.88480%0.796SS**  trans-81.6110.8-172.300000110.5
190E33.6Very low32.3Very low184 Ų184131.1 Ų131.186%0.8678%0.781SS**  trans-92.3140.2173.4-154.2109.416800110.5
191S32.5Very low32.3Very low104 Ų104131.8 Ų131.873%0.72779%0.787SS**  trans-59.1141.2-171.645.40000115D193S191-D193 PolarHBondContact O-N 3.21Å
192V36Very low32Very low138 Ų138129.3 Ų129.384%0.83677%0.77SS**  trans-74.2100-179.11780000110.6
193D29.4Very low32.3Very low131 Ų131126.7 Ų126.770%0.70176%0.758SS**  trans-93124.2160.7-95.3-33.7000109.7S191 H195S191-D193 PolarHBondContact O-N 3.21Å; D193-H195 PolarHBondContact O-N 3.15Å
194P32.1Very low32.5Very low116 Ų116129 Ų12975%0.75377%0.766SS**  trans-78.769.4-176.631.8-33.8000111
195H31Very low32.6Very low171 Ų171126.5 Ų126.579%0.79276%0.764SS**  trans-77.4126.1164.9-89.7-75.3000109.9D193 G197D193-H195 PolarHBondContact O-N 3.15Å; H195-G197 VanDerWaalsContact C-N 3.29Å; H195-G197 PolarHBondContact O-N 2.94Å
196I33.2Very low32.9Very low172 Ų172128.6 Ų128.688%0.88275%0.753SS**  trans-65.388177.3-55.7171.2000107.7
197G32.2Very low33.2Very low60 Ų60129.5 Ų129.562%0.61975%0.749SS**  trans-75125.5-175.900000112.1H195 S199H195-G197 VanDerWaalsContact C-N 3.29Å; H195-G197 PolarHBondContact O-N 2.94Å; G197-S199 PolarHBondContact O-N 2.91Å
198F32.4Very low33.5Very low212 Ų212125.3 Ų125.393%0.9374%0.741SS**  trans-67.277.2158.8-110.9-97.1000107.8G200F198-G200 PolarHBondContact O-N 2.88Å
199S35.4Very low34.1Very low87 Ų87123.2 Ų123.261%0.60874%0.735SS**  trans-76.667.3-179.169.60000110.6G197G197-S199 PolarHBondContact O-N 2.91Å
200G33.3Very low34.5Very low48 Ų48125.7 Ų125.750%0.49573%0.729SS.*SBendtrans-60.9131.7135.100000105.5F198 Y202F198-G200 PolarHBondContact O-N 2.88Å; G200-Y202 PolarHBondContact O-N 3.09Å
201A33.3Very low34.5Very low110 Ų110120.1 Ų120.191%0.90972%0.721SS**  trans-63.281-173.200000111
202Y31.5Very low34.6Very low133 Ų133125.4 Ų125.452%0.52273%0.726SS.*  trans-72.6131.7165.4-85-76.8000107.5G200 E206G200-Y202 PolarHBondContact O-N 3.09Å; Y202-E206 HydrophobicContact CD1-CB 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.16Å; Y202-E206 HydrophobicContact CE1-CB 3.92Å; Y202-E206 HydrophobicContact CG-CB 4.2Å
203A34.7Very low34.3Very low60 Ų60126.5 Ų126.550%0.49673%0.725SS.*  trans-63151.5171.100000108.7G205 E206A203-G205 PolarHBondContact O-N 3.28Å; A203-E206 PolarHBondContact N-OE2 3.26Å; A203-E206 PolarHBondContact O-N 3.12Å
204P34.8Very low34.5Very low144 Ų144127.5 Ų127.594%0.93573%0.728SS**THydrogen-bonded Turntrans-55111.4178.1-19.630.1000110.1
205G35.8Very low35.1Very low79 Ų79131.3 Ų131.381%0.81475%0.753SS**THydrogen-bonded Turntrans127.3-15.1176.400000116.1A203 R207A203-G205 PolarHBondContact O-N 3.28Å; G205-R207 PolarHBondContact O-N 3.47Å; G205-R207 VanDerWaalsContact O-N 3.14Å
206E36.2Very low35.3Very low119 Ų119129.4 Ų129.456%0.55675%0.751SS**  trans-83.594.3177.2-82.6167.8134.200110.7Y202 A203Y202-E206 HydrophobicContact CD1-CB 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.16Å; Y202-E206 HydrophobicContact CE1-CB 3.92Å; Y202-E206 HydrophobicContact CG-CB 4.2Å; A203-E206 PolarHBondContact N-OE2 3.26Å; A203-E206 PolarHBondContact O-N 3.12Å
207R37.6Very low35.4Very low201 Ų201127.1 Ų127.176%0.75874%0.744SS**  trans-71.8123.2172.2-170.1174.8-168.1-117.52.8108.3G205 D209 E210G205-R207 PolarHBondContact O-N 3.47Å; G205-R207 VanDerWaalsContact O-N 3.14Å; R207-D209 PolarHBondContact O-N 3.2Å; R207-E210 IonicContact NH1-OE1 3.47Å
208A39Very low35.5Very low79 Ų79130.8 Ų130.865%0.65375%0.751SS**  trans-45.9111.9176.500000110.5E210A208-E210 PolarHBondContact O-N 2.99Å
209D41.7Very low35.7Very low132 Ų132126.1 Ų126.171%0.70674%0.74SS**  trans-57.2119.7-173.67.9-44.7000109.2R207 G211R207-D209 PolarHBondContact O-N 3.2Å; D209-G211 PolarHBondContact O-N 3.3Å
210E39.1Very low35.7Very low160 Ų160128.5 Ų128.575%0.74875%0.748SS**  trans-48.5133.3177.1-81.8162.3166.200110.4R207 A208 Y212R207-E210 IonicContact NH1-OE1 3.47Å; A208-E210 PolarHBondContact O-N 2.99Å; E210-Y212 PolarHBondContact O-N 2.79Å
211G33.8Very low35.9Very low67 Ų67133.9 Ų133.969%0.69177%0.765SS**  trans-43.3127.8-174.800000113D209 I213D209-G211 PolarHBondContact O-N 3.3Å; G211-I213 PolarHBondContact O-N 3.03Å
212Y34.4Very low36.1Very low215 Ų215135.6 Ų135.684%0.84376%0.755SS**  trans-55.8103.9174.3-145.6-93.8000109.5E210 M214E210-Y212 PolarHBondContact O-N 2.79Å; Y212-M214 HydrophobicContact CD1-CG 4.45Å; Y212-M214 PolarHBondContact O-N 3.1Å; Y212-M214 VanDerWaalsContact O-N 3.12Å
213I30.3Very low36.4Very low160 Ų160135.8 Ų135.882%0.82177%0.773SS**  trans-71.3103.7168.7-58.3176.6000105.8G211G211-I213 PolarHBondContact O-N 3.03Å
214M32.3Very low36.6Very low152 Ų152142.1 Ų142.175%0.74980%0.796SS**  trans-67.7138.5171.3-52.7-153.9-64.600108.5Y212Y212-M214 HydrophobicContact CD1-CG 4.45Å; Y212-M214 PolarHBondContact O-N 3.1Å; Y212-M214 VanDerWaalsContact O-N 3.12Å
215P44.1Very low36.7Very low197 Ų197141.9 Ų141.9100%1.27978%0.783SS**  trans-62.30-174.926.6-35.2000113.7

Retrieved 215 of 215 residues in 142.2 ms (Link to these results)