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Probable cytochrome P450 6v1

May be involved in the metabolism of insect hormones and in the breakdown of synthetic insecticides.

AlphaFold DB , UniProt , Accession Q9VRB3, Species DROME (Drosophila melanogaster, Fruit fly), Gene Cyp6v1, Length 520 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.1Low85.7Confident202 Ų202109.4 Ų109.4100%0.99558%0.583SS**  0-55.50-116.7-179.1-81.900112.6Y3 S4 T5M1-Y3 PolarHBondContact O-N 3.42Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-T5 PolarHBondContact O-N 3.38Å; M1-T5 PolarHBondContact O-OG1 3.45Å
2V77.3Confident86.4Confident103 Ų103106.3 Ų106.362%0.62457%0.571SS**Hα-helixtrans-56-44.6-176.6-178.20000114.2S4 T5 N6V2-S4 PolarHBondContact O-N 3.32Å; V2-T5 PolarHBondContact O-N 3.31Å; V2-N6 PolarHBondContact O-N 2.94Å
3Y79.2Confident87Confident198 Ų198105.6 Ų105.678%0.77657%0.573SS**Hα-helixtrans-61.6-42.1178.8-69.7-73.5000113.2M1 T5 N6 I7M1-Y3 PolarHBondContact O-N 3.42Å; Y3-T5 PolarHBondContact O-N 3.29Å; Y3-N6 PolarHBondContact O-N 3.34Å; Y3-I7 VanDerWaalsContact O-CG1 3.3Å; Y3-I7 WeakPolarHBondContact O-CG1 3.37Å; Y3-I7 PolarHBondContact O-N 3.45Å
4S82.5Confident87.5Confident83 Ų83106.1 Ų106.158%0.5857%0.573SS**Hα-helixtrans-64.3-40.7178.3-49.60000111.6M1 V2 I7 L8M1-S4 PolarHBondContact O-N 2.94Å; V2-S4 PolarHBondContact O-N 3.32Å; S4-I7 PolarHBondContact O-N 2.93Å; S4-L8 WeakPolarHBondContact O-CB 3.38Å; S4-L8 PolarHBondContact O-N 3.13Å
5T88.1Confident87.7Confident73 Ų73106.3 Ų106.345%0.44857%0.573SS.*Hα-helixtrans-65.1-42.2176.4-49.20000111.8M1 V2 Y3 L8 L9M1-T5 PolarHBondContact O-N 3.38Å; M1-T5 PolarHBondContact O-OG1 3.45Å; V2-T5 PolarHBondContact O-N 3.31Å; Y3-T5 PolarHBondContact O-N 3.29Å; T5-L8 PolarHBondContact O-N 3.41Å; T5-L9 HydrophobicContact CG2-CD1 4.12Å; T5-L9 WeakPolarHBondContact O-CB 3.27Å; T5-L9 WeakPolarHBondContact O-CG 3.45Å; T5-L9 PolarHBondContact O-N 3.34Å
6N91.5Very high88Confident92 Ų92104 Ų10449%0.49256%0.564SS.*Hα-helixtrans-65-41.6178.1-71.5-14.6000112.3V2 Y3 L9 A10V2-N6 PolarHBondContact O-N 2.94Å; Y3-N6 PolarHBondContact O-N 3.34Å; N6-L9 PolarHBondContact O-N 3.46Å; N6-A10 WeakPolarHBondContact O-CB 3.34Å; N6-A10 PolarHBondContact O-N 3.32Å
7I90.8Very high88.3Confident107 Ų107100.2 Ų100.255%0.54956%0.555SS.*Hα-helixtrans-63.1-44.7175.5-67.7166.1000110.3Y3 S4 A10 I11Y3-I7 VanDerWaalsContact O-CG1 3.3Å; Y3-I7 WeakPolarHBondContact O-CG1 3.37Å; Y3-I7 PolarHBondContact O-N 3.45Å; S4-I7 PolarHBondContact O-N 2.93Å; I7-A10 PolarHBondContact O-N 2.78Å; I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.48Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.33Å; I7-I11 PolarHBondContact O-N 2.82Å
8L91.6Very high88.3Confident111 Ų11197.8 Ų97.858%0.58154%0.543SS*.Hα-helixtrans-61.4-46.1177.7-175.866.1000111.7S4 T5 A10 I11 V12S4-L8 WeakPolarHBondContact O-CB 3.38Å; S4-L8 PolarHBondContact O-N 3.13Å; T5-L8 PolarHBondContact O-N 3.41Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.29Å; L8-I11 PolarHBondContact O-N 2.8Å; L8-V12 HydrophobicContact CD1-CG2 4.48Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.17Å; L8-V12 PolarHBondContact O-N 2.98Å
9L93.1Very high88.3Confident101 Ų10197.8 Ų97.853%0.52954%0.537SS..Hα-helixtrans-61-41176.7-76.8166.4000112.1T5 N6 V12 T13T5-L9 HydrophobicContact CG2-CD1 4.12Å; T5-L9 WeakPolarHBondContact O-CB 3.27Å; T5-L9 WeakPolarHBondContact O-CG 3.45Å; T5-L9 PolarHBondContact O-N 3.34Å; N6-L9 PolarHBondContact O-N 3.46Å; L9-V12 PolarHBondContact O-N 3.26Å; L9-T13 WeakPolarHBondContact O-CB 3.45Å; L9-T13 PolarHBondContact O-N 3.06Å; L9-T13 PolarHBondContact O-OG1 3.01Å
10A93Very high88.4Confident49 Ų4998.2 Ų98.241%0.40554%0.537SS..Hα-helixtrans-63.3-45.9175.900000111.6N6 I7 L8 T13 I14N6-A10 WeakPolarHBondContact O-CB 3.34Å; N6-A10 PolarHBondContact O-N 3.32Å; I7-A10 PolarHBondContact O-N 2.78Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.29Å; A10-T13 PolarHBondContact O-N 2.68Å; A10-I14 VanDerWaalsContact O-CG1 3.26Å; A10-I14 WeakPolarHBondContact O-CG1 3.47Å; A10-I14 PolarHBondContact O-N 2.92Å
11I92.9Very high88.4Confident84 Ų8499.5 Ų99.543%0.43153%0.534SS..Hα-helixtrans-60.5-48.8176.4-68.4167.5000110.5I7 L8 T13 I14 L15I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.48Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.33Å; I7-I11 PolarHBondContact O-N 2.82Å; L8-I11 PolarHBondContact O-N 2.8Å; I11-T13 VanDerWaalsContact C-N 3.31Å; I11-T13 PolarHBondContact O-N 3.49Å; I11-I14 PolarHBondContact O-N 2.97Å; I11-L15 HydrophobicContact CG2-CD1 3.72Å; I11-L15 HydrophobicContact CG2-CG 4.19Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 2.98Å
12V93.7Very high89.6Confident73 Ų7390 Ų9044%0.44249%0.487SS..Hα-helixtrans-61-41178.9171.30000111.3L8 L9 L15 T16L8-V12 HydrophobicContact CD1-CG2 4.48Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.17Å; L8-V12 PolarHBondContact O-N 2.98Å; L9-V12 PolarHBondContact O-N 3.26Å; V12-L15 PolarHBondContact O-N 3.12Å; V12-T16 VanDerWaalsContact O-CB 3.28Å; V12-T16 WeakPolarHBondContact O-CB 3.37Å; V12-T16 PolarHBondContact O-N 2.85Å; V12-T16 PolarHBondContact O-OG1 3.21Å
13T94.6Very high90.1Very high97 Ų9793.3 Ų93.360%0.59549%0.489SS*.Hα-helixtrans-63.9-45.8177.5-57.60000111.4L9 A10 I11 T16 G17L9-T13 WeakPolarHBondContact O-CB 3.45Å; L9-T13 PolarHBondContact O-N 3.06Å; L9-T13 PolarHBondContact O-OG1 3.01Å; A10-T13 PolarHBondContact O-N 2.68Å; I11-T13 VanDerWaalsContact C-N 3.31Å; I11-T13 PolarHBondContact O-N 3.49Å; T13-T16 PolarHBondContact O-N 3.13Å; T13-G17 PolarHBondContact O-N 3.34Å
14I93.3Very high90.5Very high112 Ų11292.1 Ų92.157%0.57448%0.483SS*.Hα-helixtrans-62-49176.8-69.1165.6000110.3A10 I11 T16 G17 V18A10-I14 VanDerWaalsContact O-CG1 3.26Å; A10-I14 WeakPolarHBondContact O-CG1 3.47Å; A10-I14 PolarHBondContact O-N 2.92Å; I11-I14 PolarHBondContact O-N 2.97Å; I14-T16 VanDerWaalsContact C-N 3.32Å; I14-T16 PolarHBondContact O-N 3.23Å; I14-G17 PolarHBondContact O-N 2.88Å; I14-V18 HydrophobicContact CG2-CG2 4.34Å; I14-V18 WeakPolarHBondContact O-CB 3.4Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.26Å
15L91.6Very high90.8Very high109 Ų10989.4 Ų89.457%0.57146%0.463SS*.Hα-helixtrans-61.5-40.5179.3-70.2176.5000111.8I11 V12 V18 F19I11-L15 HydrophobicContact CG2-CD1 3.72Å; I11-L15 HydrophobicContact CG2-CG 4.19Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 2.98Å; V12-L15 PolarHBondContact O-N 3.12Å; L15-V18 PolarHBondContact O-N 2.68Å; L15-F19 VanDerWaalsContact O-CB 3.29Å; L15-F19 WeakPolarHBondContact O-CB 3.39Å; L15-F19 PolarHBondContact O-N 2.86Å
16T92Very high91Very high70 Ų7086.9 Ų86.943%0.42945%0.445SS..Hα-helixtrans-65.2-45.5176.2-57.20000111.1V12 T13 I14 V18 F19 I20V12-T16 VanDerWaalsContact O-CB 3.28Å; V12-T16 WeakPolarHBondContact O-CB 3.37Å; V12-T16 PolarHBondContact O-N 2.85Å; V12-T16 PolarHBondContact O-OG1 3.21Å; T13-T16 PolarHBondContact O-N 3.13Å; I14-T16 VanDerWaalsContact C-N 3.32Å; I14-T16 PolarHBondContact O-N 3.23Å; T16-V18 PolarHBondContact O-N 3.06Å; T16-F19 PolarHBondContact O-N 3.41Å; T16-I20 HydrophobicContact CG2-CD1 3.92Å; T16-I20 HydrophobicContact CG2-CG1 4.48Å; T16-I20 VanDerWaalsContact O-CG1 3.32Å; T16-I20 WeakPolarHBondContact O-CG1 3.42Å; T16-I20 PolarHBondContact O-N 3.21Å
17G92.5Very high91Very high40 Ų4084.2 Ų84.241%0.41243%0.432SS..Hα-helixtrans-59.7-45.3175.500000112.4T13 I14 I20 W21T13-G17 PolarHBondContact O-N 3.34Å; I14-G17 PolarHBondContact O-N 2.88Å; G17-I20 PolarHBondContact O-N 3.19Å; G17-W21 VanDerWaalsContact O-CB 3.29Å; G17-W21 WeakPolarHBondContact O-CB 3.36Å; G17-W21 PolarHBondContact O-N 3.27Å
18V88.8Confident91.1Very high56 Ų5679.7 Ų79.734%0.33941%0.408SS..Hα-helixtrans-62.5-42175.61670000111.3I14 L15 T16 W21 S22 L42I14-V18 HydrophobicContact CG2-CG2 4.34Å; I14-V18 WeakPolarHBondContact O-CB 3.4Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.26Å; L15-V18 PolarHBondContact O-N 2.68Å; T16-V18 PolarHBondContact O-N 3.06Å; V18-W21 PolarHBondContact O-N 3.21Å; V18-S22 WeakPolarHBondContact O-CB 3.38Å; V18-S22 PolarHBondContact O-N 3.03Å; V18-L42 HydrophobicContact CG1-CD1 4.39Å; V18-L42 HydrophobicContact CG1-CD2 3.43Å; V18-L42 VanDerWaalsContact CG1-CD2 3.43Å
19F88.3Confident91.3Very high99 Ų9974.4 Ų74.443%0.43438%0.381SS..Hα-helixtrans-64.1-46.5176.8-179.7-99.7000112.3L15 T16 S22 R23 H41L15-F19 VanDerWaalsContact O-CB 3.29Å; L15-F19 WeakPolarHBondContact O-CB 3.39Å; L15-F19 PolarHBondContact O-N 2.86Å; T16-F19 PolarHBondContact O-N 3.41Å; F19-S22 WeakPolarHBondContact O-CB 3.25Å; F19-S22 PolarHBondContact O-N 2.94Å; F19-R23 WeakPolarHBondContact O-CB 3.31Å; F19-R23 PolarHBondContact O-N 3.06Å; F19-H41 AromaticContact CE2-CE1 3.67Å; F19-H41 AromaticContact CE2-ND1 3.85Å
20I89.6Confident91.3Very high104 Ų10475.7 Ų75.753%0.53338%0.384SS..Hα-helixtrans-62.6-45.3176.9-67.9169.3000110.6T16 G17 R23 R24T16-I20 HydrophobicContact CG2-CD1 3.92Å; T16-I20 HydrophobicContact CG2-CG1 4.48Å; T16-I20 VanDerWaalsContact O-CG1 3.32Å; T16-I20 WeakPolarHBondContact O-CG1 3.42Å; T16-I20 PolarHBondContact O-N 3.21Å; G17-I20 PolarHBondContact O-N 3.19Å; I20-R23 PolarHBondContact O-N 2.82Å; I20-R24 WeakPolarHBondContact O-CB 3.4Å; I20-R24 PolarHBondContact O-N 2.61Å
21W89.5Confident91.2Very high127 Ų12780.9 Ų80.948%0.48139%0.393SS..Hα-helixtrans-61.2-44.4176.9171.583.8000112.1G17 V18 R24 T25 H81G17-W21 VanDerWaalsContact O-CB 3.29Å; G17-W21 WeakPolarHBondContact O-CB 3.36Å; G17-W21 PolarHBondContact O-N 3.27Å; V18-W21 PolarHBondContact O-N 3.21Å; W21-R24 PolarHBondContact O-N 3.26Å; W21-T25 WeakPolarHBondContact O-CB 3.12Å; W21-T25 PolarHBondContact O-N 2.88Å; W21-T25 PolarHBondContact O-OG1 3Å; W21-H81 HydrophobicContact CH2-CB 3.29Å; W21-H81 AromaticContact CH2-CD2 3.95Å; W21-H81 AromaticContact CH2-CG 3.4Å; W21-H81 AromaticContact CH2-ND1 3.8Å; W21-H81 HydrophobicContact CZ2-CB 3.81Å; W21-H81 AromaticContact CZ2-CD2 3.92Å; W21-H81 AromaticContact CZ2-CG 3.82Å; W21-H81 HydrophobicContact CZ3-CB 4.03Å
22S88.6Confident91.1Very high1 Ų180.1 Ų80.11%0.00739%0.385CS..Hα-helixtrans-59.1-50.6175.9-179.50000110.8V18 F19 R24 T25 Y26 L42V18-S22 WeakPolarHBondContact O-CB 3.38Å; V18-S22 PolarHBondContact O-N 3.03Å; F19-S22 WeakPolarHBondContact O-CB 3.25Å; F19-S22 PolarHBondContact O-N 2.94Å; S22-R24 PolarHBondContact O-N 3.07Å; S22-T25 WeakPolarHBondContact O-CB 3.48Å; S22-T25 PolarHBondContact O-N 2.78Å; S22-T25 VanDerWaalsContact O-N 3.17Å; S22-Y26 VanDerWaalsContact O-CD2 3.27Å; S22-Y26 WeakPolarHBondContact O-CD2 3.34Å; S22-Y26 PolarHBondContact O-N 3.16Å; S22-Y26 WeakPolarHBondContact OG-CE2 3.3Å; S22-L42 PolarHBondContact OG-N 3.43Å
23R87.1Confident91.1Very high173 Ų17388 Ų8865%0.65341%0.407SS*.Hα-helixtrans-59.7-45.9177.1-167.5177.5-177.4-172.21.5111.7F19 I20 T25 Y26 V27F19-R23 WeakPolarHBondContact O-CB 3.31Å; F19-R23 PolarHBondContact O-N 3.06Å; I20-R23 PolarHBondContact O-N 2.82Å; R23-T25 VanDerWaalsContact C-N 3.28Å; R23-T25 PolarHBondContact O-N 3.3Å; R23-Y26 PolarHBondContact O-N 2.62Å; R23-V27 WeakPolarHBondContact O-CG2 3.31Å; R23-V27 PolarHBondContact O-N 2.9Å
24R88.1Confident91Very high173 Ų17384 Ų8465%0.65338%0.382SS*.Hα-helixtrans-61.4-36.7178.2-176.7175.1177161.51.1112.2I20 W21 S22I20-R24 WeakPolarHBondContact O-CB 3.4Å; I20-R24 PolarHBondContact O-N 2.61Å; W21-R24 PolarHBondContact O-N 3.26Å; S22-R24 PolarHBondContact O-N 3.07Å
25T88.7Confident91.2Very high26 Ų2683.1 Ų83.116%0.1637%0.374CS..Hα-helixtrans-68.1-40.9177.7-60.30000111.3W21 S22 R23 V27 Y28 H81W21-T25 WeakPolarHBondContact O-CB 3.12Å; W21-T25 PolarHBondContact O-N 2.88Å; W21-T25 PolarHBondContact O-OG1 3Å; S22-T25 WeakPolarHBondContact O-CB 3.48Å; S22-T25 PolarHBondContact O-N 2.78Å; S22-T25 VanDerWaalsContact O-N 3.17Å; R23-T25 VanDerWaalsContact C-N 3.28Å; R23-T25 PolarHBondContact O-N 3.3Å; T25-V27 VanDerWaalsContact C-N 3.26Å; T25-V27 PolarHBondContact O-N 3.16Å; T25-Y28 WeakPolarHBondContact O-CB 3.34Å; T25-Y28 PolarHBondContact O-N 2.92Å; T25-H81 HydrophobicContact CG2-CB 4.08Å; T25-H81 WeakPolarHBondContact CG2-O 3.39Å
26Y91Very high91.4Very high21 Ų2179.2 Ų79.28%0.08235%0.352CS..Hα-helixtrans-75.1-7.3-179-63.2-34.9000115.6S22 R23 Y28 P39 L42 G44 Y78 F80S22-Y26 VanDerWaalsContact O-CD2 3.27Å; S22-Y26 WeakPolarHBondContact O-CD2 3.34Å; S22-Y26 PolarHBondContact O-N 3.16Å; S22-Y26 WeakPolarHBondContact OG-CE2 3.3Å; R23-Y26 PolarHBondContact O-N 2.62Å; Y26-Y28 PolarHBondContact O-N 3.41Å; Y26-P39 HydrophobicContact CD1-CB 3.8Å; Y26-P39 HydrophobicContact CD1-CG 3.53Å; Y26-P39 HydrophobicContact CD2-CB 4.17Å; Y26-P39 HydrophobicContact CD2-CG 3.74Å; Y26-P39 HydrophobicContact CE1-CB 3.83Å; Y26-P39 HydrophobicContact CE1-CG 4.09Å; Y26-P39 HydrophobicContact CE2-CB 4.18Å; Y26-P39 HydrophobicContact CE2-CG 4.26Å; Y26-P39 HydrophobicContact CG-CB 4Å; Y26-P39 HydrophobicContact CG-CG 3.35Å; Y26-L42 WeakPolarHBondContact OH-CA 2.88Å; Y26-L42 PolarHBondContact OH-N 2.9Å; Y26-L42 PolarHBondContact OH-O 2.95Å; Y26-G44 WeakPolarHBondContact OH-CA 3.42Å; Y26-G44 PolarHBondContact OH-N 3Å; Y26-Y78 VanDerWaalsContact C-OH 3.31Å; Y26-Y78 AromaticContact CD1-CD1 3.74Å; Y26-Y78 HydrophobicContact CD1-CD1 3.74Å; Y26-Y78 HydrophobicContact CD1-CD2 4Å; Y26-Y78 AromaticContact CD1-CE1 3.89Å; Y26-Y78 HydrophobicContact CD1-CE1 3.89Å; Y26-Y78 HydrophobicContact CD1-CE2 4.1Å; Y26-Y78 AromaticContact CD1-CG 3.8Å; Y26-Y78 HydrophobicContact CD1-CG 3.8Å; Y26-Y78 AromaticContact CE1-CD1 3.99Å; Y26-Y78 HydrophobicContact CE1-CD1 3.99Å; Y26-Y78 HydrophobicContact CE1-CD2 4.42Å; Y26-Y78 AromaticContact CE1-CG 3.9Å; Y26-Y78 HydrophobicContact CE1-CG 3.9Å; Y26-Y78 PolarHBondContact O-OH 3Å; Y26-F80 WeakPolarHBondContact CE1-O 3.01Å; Y26-F80 PolarHBondContact OH-O 2.8Å
27V91.7Very high91.6Very high36 Ų3676.4 Ų76.422%0.21834%0.335CS..THydrogen-bonded Turntrans-81.10.6166.9-155.60000111.9R23 T25 W29 Q30 R31R23-V27 WeakPolarHBondContact O-CG2 3.31Å; R23-V27 PolarHBondContact O-N 2.9Å; T25-V27 VanDerWaalsContact C-N 3.26Å; T25-V27 PolarHBondContact O-N 3.16Å; V27-W29 PolarHBondContact O-N 2.85Å; V27-Q30 HydrophobicContact CG1-CB 4.06Å; V27-Q30 HydrophobicContact CG1-CG 4.42Å; V27-Q30 PolarHBondContact O-N 3.25Å; V27-R31 HydrophobicContact CB-CG 4.49Å; V27-R31 HydrophobicContact CG1-CG 3.91Å; V27-R31 WeakPolarHBondContact O-CB 3.35Å; V27-R31 VanDerWaalsContact O-CG 3.29Å; V27-R31 WeakPolarHBondContact O-CG 3.32Å; V27-R31 PolarHBondContact O-N 3.34Å
28Y93.7Very high91.7Very high12 Ų1280.4 Ų80.45%0.04734%0.343CS..THydrogen-bonded Turntrans-56.9-50.3-173.2172.9-95.3000113.8T25 Y26 R32 Y78 P83 R412 M415T25-Y28 WeakPolarHBondContact O-CB 3.34Å; T25-Y28 PolarHBondContact O-N 2.92Å; Y26-Y28 PolarHBondContact O-N 3.41Å; Y28-R32 PolarHBondContact O-NH1 3.04Å; Y28-R32 PolarHBondContact OH-NE 3.36Å; Y28-R32 VanDerWaalsContact OH-NE 3.13Å; Y28-Y78 PolarHBondContact N-OH 2.86Å; Y28-P83 HydrophobicContact CD1-CB 3.42Å; Y28-P83 VanDerWaalsContact CD1-CB 3.42Å; Y28-P83 HydrophobicContact CD1-CG 3.52Å; Y28-P83 HydrophobicContact CD2-CG 4.2Å; Y28-P83 HydrophobicContact CE1-CB 3.6Å; Y28-P83 HydrophobicContact CE1-CG 3.91Å; Y28-P83 HydrophobicContact CG-CB 4.12Å; Y28-P83 HydrophobicContact CG-CG 3.68Å; Y28-R412 VanDerWaalsContact CE2-NH1 3.3Å; Y28-R412 WeakPolarHBondContact OH-CD 3.46Å; Y28-M415 HydrophobicContact CE1-CE 3.74Å; Y28-M415 VanDerWaalsContact OH-CE 3.26Å; Y28-M415 WeakPolarHBondContact OH-CE 3.38Å
29W95.1Very high92Very high0 Ų078.9 Ų78.90%033%0.334CS..THydrogen-bonded Turntrans-72.9-39.5179.6-67.9128.1000112.2V27 R31 R32 R33 V34 F36 I77 Y78 P83 A84 L85 M415V27-W29 PolarHBondContact O-N 2.85Å; W29-R31 VanDerWaalsContact C-N 3.34Å; W29-R31 PolarHBondContact O-N 3.17Å; W29-R32 CarbonylContact O-C 3.46Å; W29-R32 WeakPolarHBondContact O-CA 3.47Å; W29-R32 PolarHBondContact O-N 3.48Å; W29-R33 PolarHBondContact O-N 3.09Å; W29-R33 VanDerWaalsContact O-N 3.11Å; W29-V34 HydrophobicContact CE3-CB 3.8Å; W29-V34 HydrophobicContact CE3-CG1 3.9Å; W29-V34 HydrophobicContact CE3-CG2 4.12Å; W29-V34 HydrophobicContact CZ3-CB 4.44Å; W29-V34 HydrophobicContact CZ3-CG1 4.32Å; W29-V34 HydrophobicContact CZ3-CG2 4.39Å; W29-V34 PolarHBondContact O-N 3.32Å; W29-F36 HydrophobicContact CB-CB 3.67Å; W29-F36 HydrophobicContact CB-CD1 3.57Å; W29-F36 HydrophobicContact CB-CD2 4.47Å; W29-F36 HydrophobicContact CB-CE1 4.33Å; W29-F36 HydrophobicContact CB-CG 3.66Å; W29-F36 HydrophobicContact CG-CB 3.86Å; W29-F36 HydrophobicContact CG-CG 4.27Å; W29-I77 PolarHBondContact NE1-O 2.99Å; W29-Y78 AromaticContact CD1-CE1 3.89Å; W29-Y78 AromaticContact CD1-CE2 3.41Å; W29-Y78 VanDerWaalsContact CD1-CE2 3.41Å; W29-Y78 AromaticContact CD1-CZ 3.25Å; W29-Y78 VanDerWaalsContact CD1-OH 3.3Å; W29-Y78 HydrophobicContact CG-CE2 4.48Å; W29-Y78 PolarHBondContact N-OH 3.02Å; W29-Y78 AromaticContact NE1-CZ 3.82Å; W29-P83 HydrophobicContact CZ2-CB 3.62Å; W29-A84 WeakPolarHBondContact CZ2-O 3.34Å; W29-L85 HydrophobicContact CE3-CD2 4.5Å; W29-L85 HydrophobicContact CH2-CD1 4.23Å; W29-L85 HydrophobicContact CH2-CD2 3.23Å; W29-L85 HydrophobicContact CH2-CG 3.52Å; W29-L85 HydrophobicContact CZ2-CD2 3.89Å; W29-L85 HydrophobicContact CZ2-CG 4.13Å; W29-L85 HydrophobicContact CZ3-CD2 3.59Å; W29-L85 HydrophobicContact CZ3-CG 4.29Å; W29-M415 HydrophobicContact CH2-CE 3.86Å; W29-M415 HydrophobicContact CH2-SD 3.65Å; W29-M415 HydrophobicContact CZ2-CE 4.16Å; W29-M415 HydrophobicContact CZ2-SD 4.12Å
30Q93.1Very high92.1Very high127 Ų12777.3 Ų77.359%0.59333%0.333SS*.G310 helixtrans-57.2-44.9174.6-172.4179.75.800111.9V27 R32 R33 F36V27-Q30 HydrophobicContact CG1-CB 4.06Å; V27-Q30 HydrophobicContact CG1-CG 4.42Å; V27-Q30 PolarHBondContact O-N 3.25Å; Q30-R32 PolarHBondContact O-N 2.97Å; Q30-R32 VanDerWaalsContact O-N 3.15Å; Q30-R33 PolarHBondContact O-N 3.46Å; Q30-R33 VanDerWaalsContact O-N 3.08Å; Q30-F36 HydrophobicContact CB-CE1 3.89Å; Q30-F36 HydrophobicContact CB-CZ 4.29Å
31R92.1Very high91.9Very high158 Ų15877.7 Ų77.760%0.59633%0.332SS*.G310 helixtrans-62.2-20.4176-74.2171.3-170.8-167.31.7113.8V27 W29V27-R31 HydrophobicContact CB-CG 4.49Å; V27-R31 HydrophobicContact CG1-CG 3.91Å; V27-R31 WeakPolarHBondContact O-CB 3.35Å; V27-R31 VanDerWaalsContact O-CG 3.29Å; V27-R31 WeakPolarHBondContact O-CG 3.32Å; V27-R31 PolarHBondContact O-N 3.34Å; W29-R31 VanDerWaalsContact C-N 3.34Å; W29-R31 PolarHBondContact O-N 3.17Å
32R91.2Very high91.7Very high69 Ų6975.7 Ų75.726%0.2633%0.33SS..G310 helixtrans-102.42.7179.6-76.9169.2177.760.619.2113Y28 W29 Q30 V34Y28-R32 PolarHBondContact O-NH1 3.04Å; Y28-R32 PolarHBondContact OH-NE 3.36Å; Y28-R32 VanDerWaalsContact OH-NE 3.13Å; W29-R32 CarbonylContact O-C 3.46Å; W29-R32 WeakPolarHBondContact O-CA 3.47Å; W29-R32 PolarHBondContact O-N 3.48Å; Q30-R32 PolarHBondContact O-N 2.97Å; Q30-R32 VanDerWaalsContact O-N 3.15Å; R32-V34 HydrophobicContact CB-CG2 4.14Å; R32-V34 PolarHBondContact O-N 3.14Å
33R91.7Very high91.8Very high239 Ų23978.5 Ų78.590%0.90235%0.345SS*.THydrogen-bonded Turntrans55.330.1-177.3-53.8-179.7179.2-176.6-1.3113W29 Q30W29-R33 PolarHBondContact O-N 3.09Å; W29-R33 VanDerWaalsContact O-N 3.11Å; Q30-R33 PolarHBondContact O-N 3.46Å; Q30-R33 VanDerWaalsContact O-N 3.08Å
34V94.4Very high92.1Very high11 Ų1170.2 Ų70.27%0.06731%0.314CS..  trans-96.6128.4172.9176.60000107.7W29 R32 F36 V74 C409W29-V34 HydrophobicContact CE3-CB 3.8Å; W29-V34 HydrophobicContact CE3-CG1 3.9Å; W29-V34 HydrophobicContact CE3-CG2 4.12Å; W29-V34 HydrophobicContact CZ3-CB 4.44Å; W29-V34 HydrophobicContact CZ3-CG1 4.32Å; W29-V34 HydrophobicContact CZ3-CG2 4.39Å; W29-V34 PolarHBondContact O-N 3.32Å; R32-V34 HydrophobicContact CB-CG2 4.14Å; R32-V34 PolarHBondContact O-N 3.14Å; V34-F36 WeakPolarHBondContact O-CD1 3.42Å; V34-V74 HydrophobicContact CG1-CG2 4.23Å; V34-C409 HydrophobicContact CG2-CB 3.45Å; V34-C409 VanDerWaalsContact CG2-CB 3.45Å
35K95.7Very high92.5Very high95 Ų9562.4 Ų62.441%0.41329%0.285SS..  trans-63.8140.7174.2-68.3-162.5-172.31510110.4R68 F69 E72 G76K35-R68 WeakPolarHBondContact CD-O 3.12Å; K35-R68 PolarHBondContact NZ-O 2.86Å; K35-R68 VanDerWaalsContact NZ-O 3.16Å; K35-F69 HydrophobicContact CB-CD1 3.73Å; K35-F69 HydrophobicContact CB-CE1 3.79Å; K35-F69 HydrophobicContact CD-CD1 4.28Å; K35-E72 HydrophobicContact CB-CG 4.2Å; K35-E72 HydrophobicContact CD-CG 3.74Å; K35-E72 VanDerWaalsContact CD-OE1 3.29Å; K35-E72 WeakPolarHBondContact CD-OE1 3.28Å; K35-E72 WeakPolarHBondContact CE-OE1 3.07Å; K35-E72 HydrophobicContact CG-CG 4.21Å; K35-E72 IonicContact NZ-OE1 2.92Å; K35-E72 PolarHBondContact NZ-OE1 3.11Å; K35-G76 PolarHBondContact O-N 2.78Å
36F96.5Very high92.8Very high27 Ų2761.1 Ų61.112%0.11828%0.277CS..BIsolated β-bridgetrans-146.3156.5-172.167-81.8000112.6W29 Q30 V34 G76 Y78W29-F36 HydrophobicContact CB-CB 3.67Å; W29-F36 HydrophobicContact CB-CD1 3.57Å; W29-F36 HydrophobicContact CB-CD2 4.47Å; W29-F36 HydrophobicContact CB-CE1 4.33Å; W29-F36 HydrophobicContact CB-CG 3.66Å; W29-F36 HydrophobicContact CG-CB 3.86Å; W29-F36 HydrophobicContact CG-CG 4.27Å; Q30-F36 HydrophobicContact CB-CE1 3.89Å; Q30-F36 HydrophobicContact CB-CZ 4.29Å; V34-F36 WeakPolarHBondContact O-CD1 3.42Å; F36-G76 CarbonylContact C-O 3.53Å; F36-G76 WeakPolarHBondContact CA-O 3.41Å; F36-G76 WeakPolarHBondContact CB-O 3.48Å; F36-Y78 AromaticContact CD2-CE2 3.93Å; F36-Y78 HydrophobicContact CD2-CE2 3.93Å; F36-Y78 HydrophobicContact CE2-CE2 4.39Å
37V96.8Very high92.9Very high10 Ų1060.9 Ų60.96%0.06128%0.278CS..PPolyproline II helixtrans-77126173.3-175.10000109.1P39 N45 F63 F69 V75 G76 I77V37-P39 WeakPolarHBondContact O-CD 3.49Å; V37-N45 VanDerWaalsContact CG1-ND2 3.31Å; V37-N45 WeakPolarHBondContact CG1-ND2 3.35Å; V37-N45 PolarHBondContact O-ND2 3.41Å; V37-N45 VanDerWaalsContact O-ND2 3.14Å; V37-F63 HydrophobicContact CB-CE1 4.5Å; V37-F63 HydrophobicContact CB-CZ 4.49Å; V37-F63 HydrophobicContact CG1-CD1 4.08Å; V37-F63 HydrophobicContact CG1-CE1 3.64Å; V37-F63 HydrophobicContact CG1-CE2 4.35Å; V37-F63 HydrophobicContact CG1-CZ 3.8Å; V37-F63 HydrophobicContact CG2-CB 4.11Å; V37-F63 HydrophobicContact CG2-CD1 3.82Å; V37-F63 HydrophobicContact CG2-CD2 3.91Å; V37-F63 HydrophobicContact CG2-CE1 4.18Å; V37-F63 HydrophobicContact CG2-CE2 4.25Å; V37-F63 HydrophobicContact CG2-CG 3.68Å; V37-F63 HydrophobicContact CG2-CZ 4.38Å; V37-F69 HydrophobicContact CG2-CE2 3.73Å; V37-F69 HydrophobicContact CG2-CZ 3.93Å; V37-V75 HydrophobicContact CG2-CG1 3.98Å; V37-G76 PolarHBondContact N-O 2.87Å; V37-I77 HydrophobicContact CB-CG2 4.35Å; V37-I77 HydrophobicContact CG2-CG2 3.92Å
38Q94.5Very high92.9Very high124 Ų12462.6 Ų62.658%0.57928%0.281SS*.PPolyproline II helixtrans-57.8121.1179.9-65.8-57.6-29.400110.9N45Q38-N45 PolarHBondContact O-ND2 3.36Å; Q38-N45 VanDerWaalsContact O-ND2 3.17Å
39P93.8Very high92.8Very high24 Ų2462.8 Ų62.816%0.15628%0.283CS..PPolyproline II helixtrans-78.9146.1-178.429.4-31.3000111.5Y26 V37 Y78Y26-P39 HydrophobicContact CD1-CB 3.8Å; Y26-P39 HydrophobicContact CD1-CG 3.53Å; Y26-P39 HydrophobicContact CD2-CB 4.17Å; Y26-P39 HydrophobicContact CD2-CG 3.74Å; Y26-P39 HydrophobicContact CE1-CB 3.83Å; Y26-P39 HydrophobicContact CE1-CG 4.09Å; Y26-P39 HydrophobicContact CE2-CB 4.18Å; Y26-P39 HydrophobicContact CE2-CG 4.26Å; Y26-P39 HydrophobicContact CG-CB 4Å; Y26-P39 HydrophobicContact CG-CG 3.35Å; V37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-Y78 HydrophobicContact CB-CD2 3.85Å; P39-Y78 HydrophobicContact CB-CE2 4.47Å; P39-Y78 HydrophobicContact CB-CG 4.41Å; P39-Y78 HydrophobicContact CG-CD2 3.86Å; P39-Y78 HydrophobicContact CG-CE2 3.97Å
40T91Very high92.6Very high66 Ų6666.1 Ų66.141%0.40530%0.3SS..BIsolated β-bridgetrans-73.1141.5160.6-51.10000109L42 L43 G44 S47T40-L42 PolarHBondContact O-N 3.08Å; T40-L43 PolarHBondContact O-N 3.38Å; T40-G44 PolarHBondContact N-O 3.07Å; T40-G44 PolarHBondContact O-N 3.39Å; T40-S47 PolarHBondContact OG1-OG 3.45Å
41H85Confident92.4Very high112 Ų11267.4 Ų67.452%0.51930%0.3SS..THydrogen-bonded Turntrans-50.9131.4177.4-71.5-74.1000111.5F19 L43F19-H41 AromaticContact CE2-CE1 3.67Å; F19-H41 AromaticContact CE2-ND1 3.85Å; H41-L43 PolarHBondContact O-N 3.49Å
42L85.5Confident92.1Very high86 Ų8663.2 Ų63.245%0.4529%0.289SS..THydrogen-bonded Turntrans67.2-38.6-179.1-54.1173.7000116.1V18 S22 Y26 T40 F80V18-L42 HydrophobicContact CG1-CD1 4.39Å; V18-L42 HydrophobicContact CG1-CD2 3.43Å; V18-L42 VanDerWaalsContact CG1-CD2 3.43Å; S22-L42 PolarHBondContact OG-N 3.43Å; Y26-L42 WeakPolarHBondContact OH-CA 2.88Å; Y26-L42 PolarHBondContact OH-N 2.9Å; Y26-L42 PolarHBondContact OH-O 2.95Å; T40-L42 PolarHBondContact O-N 3.08Å; L42-F80 WeakPolarHBondContact O-CD1 3.38Å
43L91.6Very high92.1Very high59 Ų5964.1 Ų64.131%0.30930%0.296SS..THydrogen-bonded Turntrans-86.5-10.3-174.9-54.8-175.9000113.2T40 H41 N45 L46 L50 F80T40-L43 PolarHBondContact O-N 3.38Å; H41-L43 PolarHBondContact O-N 3.49Å; L43-N45 PolarHBondContact O-N 2.86Å; L43-L46 PolarHBondContact O-N 3.38Å; L43-L46 VanDerWaalsContact O-N 3.13Å; L43-L50 HydrophobicContact CB-CD1 4.39Å; L43-L50 HydrophobicContact CD1-CD1 4.11Å; L43-L50 HydrophobicContact CD2-CD1 3.73Å; L43-L50 HydrophobicContact CG-CD1 4.29Å; L43-F80 HydrophobicContact CD2-CD1 4.28Å; L43-F80 HydrophobicContact CD2-CE1 3.88Å; L43-F80 PolarHBondContact O-N 3.25Å
44G94.1Very high92Very high0 Ų053.4 Ų53.40%026%0.256CS..BIsolated β-bridgetrans62-130.8-173.600000109.5Y26 T40 F80Y26-G44 WeakPolarHBondContact OH-CA 3.42Å; Y26-G44 PolarHBondContact OH-N 3Å; T40-G44 PolarHBondContact N-O 3.07Å; T40-G44 PolarHBondContact O-N 3.39Å; G44-F80 WeakPolarHBondContact CA-O 3.33Å; G44-F80 PolarHBondContact N-O 2.63Å
45N95.4Very high91.8Very high8 Ų853.5 Ų53.54%0.04326%0.257CS..THydrogen-bonded Turntrans-93.11.9176.7-55.7113.3000113.4V37 Q38 L43 S47 Q59 F63 I77 Y78V37-N45 VanDerWaalsContact CG1-ND2 3.31Å; V37-N45 WeakPolarHBondContact CG1-ND2 3.35Å; V37-N45 PolarHBondContact O-ND2 3.41Å; V37-N45 VanDerWaalsContact O-ND2 3.14Å; Q38-N45 PolarHBondContact O-ND2 3.36Å; Q38-N45 VanDerWaalsContact O-ND2 3.17Å; L43-N45 PolarHBondContact O-N 2.86Å; N45-S47 VanDerWaalsContact C-N 3.33Å; N45-S47 PolarHBondContact O-N 3.12Å; N45-Q59 VanDerWaalsContact O-CD 3.3Å; N45-Q59 PolarHBondContact O-NE2 3.05Å; N45-Q59 PolarHBondContact O-OE1 2.84Å; N45-F63 HydrophobicContact CB-CE2 3.99Å; N45-F63 HydrophobicContact CB-CZ 4.03Å; N45-I77 WeakPolarHBondContact OD1-CA 3.47Å; N45-I77 WeakPolarHBondContact OD1-CB 3.17Å; N45-Y78 PolarHBondContact N-O 2.68Å; N45-Y78 PolarHBondContact OD1-N 3.06Å
46L94.5Very high91.8Very high0 Ų049.3 Ų49.30%024%0.239CC..THydrogen-bonded Turntrans-85.15.5-174.1-65.4176.2000114.8L43 R48 V49 L50 F56 L79 F80 F235 Y239L43-L46 PolarHBondContact O-N 3.38Å; L43-L46 VanDerWaalsContact O-N 3.13Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 2.78Å; L46-V49 HydrophobicContact CD2-CB 4.26Å; L46-V49 HydrophobicContact CD2-CG2 4.13Å; L46-V49 PolarHBondContact O-N 3.4Å; L46-L50 HydrophobicContact CB-CD1 4.43Å; L46-L50 WeakPolarHBondContact O-CB 3.19Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 3.36Å; L46-F56 HydrophobicContact CD2-CD2 3.73Å; L46-F56 HydrophobicContact CD2-CE2 3.86Å; L46-L79 HydrophobicContact CD1-CB 4.06Å; L46-L79 HydrophobicContact CD1-CD2 4.13Å; L46-L79 HydrophobicContact CD2-CD2 3.9Å; L46-L79 HydrophobicContact CG-CD2 4.11Å; L46-F80 HydrophobicContact CD1-CD2 3.63Å; L46-F80 HydrophobicContact CD1-CE2 3.56Å; L46-F80 HydrophobicContact CD1-CZ 4.48Å; L46-F235 HydrophobicContact CD1-CZ 4.19Å; L46-Y239 HydrophobicContact CD1-CD1 4.44Å; L46-Y239 HydrophobicContact CD1-CG 4.31Å; L46-Y239 HydrophobicContact CD2-CD1 4.29Å
47S92.7Very high91.7Very high15 Ų1548.2 Ų48.211%0.10524%0.235CC..Hα-helixtrans-55.8-45.8-176.652.40000113.1T40 N45 L50 R51T40-S47 PolarHBondContact OG1-OG 3.45Å; N45-S47 VanDerWaalsContact C-N 3.33Å; N45-S47 PolarHBondContact O-N 3.12Å; S47-L50 PolarHBondContact O-N 3.19Å; S47-R51 WeakPolarHBondContact O-CG 3.28Å; S47-R51 PolarHBondContact O-N 3.43Å; S47-R51 VanDerWaalsContact O-N 3.13Å
48R92.6Very high91.6Very high73 Ų7349.3 Ų49.328%0.27524%0.241SC..Hα-helixtrans-72-34.3178.7-59.7-171.568.5-155.85.2113.5L46 R51 L52 E53 E54 R62L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 2.78Å; R48-R51 CarbonylContact O-C 3.54Å; R48-R51 PolarHBondContact O-N 3.14Å; R48-L52 PolarHBondContact O-N 3.06Å; R48-E53 HydrophobicContact CB-CB 4.34Å; R48-E53 WeakPolarHBondContact CG-OE2 3.43Å; R48-E53 IonicContact CZ-OE2 3.13Å; R48-E53 IonicContact NE-OE2 2.8Å; R48-E53 PolarHBondContact NE-OE2 3.33Å; R48-E53 IonicContact NH2-OE2 2.67Å; R48-E53 PolarHBondContact O-N 3.11Å; R48-E54 HydrophobicContact CB-CG 3.86Å; R48-E54 WeakPolarHBondContact CD-OE1 3.3Å; R48-E54 IonicContact CZ-OE1 3.8Å; R48-E54 IonicContact CZ-OE2 3.58Å; R48-E54 IonicContact NE-OE1 3.12Å; R48-E54 IonicContact NH1-OE1 2.79Å; R48-E54 PolarHBondContact NH1-OE1 3.34Å; R48-E54 IonicContact NH1-OE2 3.48Å; R48-E54 PolarHBondContact NH1-OE2 2.73Å; R48-R62 VanDerWaalsContact NH1-CZ 3.31Å
49V92Very high91.7Very high15 Ų1543.5 Ų43.59%0.09121%0.213CC..Hα-helixtrans-65-42.9174.7-179.30000110.5L46 R51 L52 F56 F235L46-V49 HydrophobicContact CD2-CB 4.26Å; L46-V49 HydrophobicContact CD2-CG2 4.13Å; L46-V49 PolarHBondContact O-N 3.4Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 2.94Å; V49-L52 PolarHBondContact O-N 3.05Å; V49-L52 VanDerWaalsContact O-N 3.11Å; V49-F56 HydrophobicContact CG1-CB 4.4Å; V49-F56 HydrophobicContact CG2-CB 4.11Å; V49-F56 HydrophobicContact CG2-CD2 4.16Å; V49-F235 HydrophobicContact CG1-CE2 4.49Å
50L89.9Confident91.8Very high70 Ų7042.3 Ų42.337%0.36621%0.206SC..Hα-helixtrans-66.4-31.5176.7-77.5169000113.1L43 L46 S47 F80 F235L43-L50 HydrophobicContact CB-CD1 4.39Å; L43-L50 HydrophobicContact CD1-CD1 4.11Å; L43-L50 HydrophobicContact CD2-CD1 3.73Å; L43-L50 HydrophobicContact CG-CD1 4.29Å; L46-L50 HydrophobicContact CB-CD1 4.43Å; L46-L50 WeakPolarHBondContact O-CB 3.19Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 3.36Å; S47-L50 PolarHBondContact O-N 3.19Å; L50-F80 HydrophobicContact CD1-CE1 4.11Å; L50-F80 HydrophobicContact CD1-CZ 3.94Å; L50-F80 HydrophobicContact CD2-CZ 4.46Å; L50-F235 HydrophobicContact CD1-CZ 4.43Å; L50-F235 HydrophobicContact CD2-CD2 4.25Å; L50-F235 HydrophobicContact CD2-CE1 3.91Å; L50-F235 HydrophobicContact CD2-CE2 3.48Å; L50-F235 VanDerWaalsContact CD2-CE2 3.48Å; L50-F235 HydrophobicContact CD2-CZ 3.29Å; L50-F235 HydrophobicContact CG-CE2 4.01Å; L50-F235 HydrophobicContact CG-CZ 3.87Å
51R89.6Confident92.1Very high155 Ų15542.1 Ų42.159%0.58520%0.198SC*.THydrogen-bonded Turntrans-83.52.4174.3-66.3-171.8-54.8-147.36.7113.4S47 R48 V49 E53S47-R51 WeakPolarHBondContact O-CG 3.28Å; S47-R51 PolarHBondContact O-N 3.43Å; S47-R51 VanDerWaalsContact O-N 3.13Å; R48-R51 CarbonylContact O-C 3.54Å; R48-R51 PolarHBondContact O-N 3.14Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 2.94Å; R51-E53 HydrophobicContact CB-CG 4.01Å; R51-E53 IonicContact CZ-OE1 3.54Å; R51-E53 IonicContact NE-OE1 3.46Å; R51-E53 PolarHBondContact NE-OE1 3.41Å; R51-E53 IonicContact NH2-OE1 3.27Å; R51-E53 PolarHBondContact NH2-OE1 3.28Å; R51-E53 IonicContact NH2-OE2 3.14Å; R51-E53 PolarHBondContact NH2-OE2 3.44Å; R51-E53 PolarHBondContact O-N 2.96Å
52L86.3Confident92.7Very high70 Ų7042 Ų4237%0.36619%0.193SC..THydrogen-bonded Turntrans55.727.9-178-54.2174.9000113.4R48 V49 K503R48-L52 PolarHBondContact O-N 3.06Å; V49-L52 PolarHBondContact O-N 3.05Å; V49-L52 VanDerWaalsContact O-N 3.11Å; L52-K503 HydrophobicContact CB-CG 4.36Å
53E89.5Confident93.2Very high87 Ų8738.2 Ų38.241%0.40717%0.172SC..SBendtrans-80.9-29.6177.5-69.4171.5-159.400112.3R48 R51R48-E53 HydrophobicContact CB-CB 4.34Å; R48-E53 WeakPolarHBondContact CG-OE2 3.43Å; R48-E53 IonicContact CZ-OE2 3.13Å; R48-E53 IonicContact NE-OE2 2.8Å; R48-E53 PolarHBondContact NE-OE2 3.33Å; R48-E53 IonicContact NH2-OE2 2.67Å; R48-E53 PolarHBondContact O-N 3.11Å; R51-E53 HydrophobicContact CB-CG 4.01Å; R51-E53 IonicContact CZ-OE1 3.54Å; R51-E53 IonicContact NE-OE1 3.46Å; R51-E53 PolarHBondContact NE-OE1 3.41Å; R51-E53 IonicContact NH2-OE1 3.27Å; R51-E53 PolarHBondContact NH2-OE1 3.28Å; R51-E53 IonicContact NH2-OE2 3.14Å; R51-E53 PolarHBondContact NH2-OE2 3.44Å; R51-E53 PolarHBondContact O-N 2.96Å
54E89.7Confident93.5Very high15 Ų1535.5 Ų35.57%0.0716%0.158CC..SBendtrans-152.1147.1176.566.5-175.2171.600109.3R48 L58 Q59 R62 A502R48-E54 HydrophobicContact CB-CG 3.86Å; R48-E54 WeakPolarHBondContact CD-OE1 3.3Å; R48-E54 IonicContact CZ-OE1 3.8Å; R48-E54 IonicContact CZ-OE2 3.58Å; R48-E54 IonicContact NE-OE1 3.12Å; R48-E54 IonicContact NH1-OE1 2.79Å; R48-E54 PolarHBondContact NH1-OE1 3.34Å; R48-E54 IonicContact NH1-OE2 3.48Å; R48-E54 PolarHBondContact NH1-OE2 2.73Å; E54-L58 HydrophobicContact CB-CB 4.44Å; E54-Q59 HydrophobicContact CG-CB 4.04Å; E54-Q59 WeakPolarHBondContact OE1-CB 3.35Å; E54-Q59 WeakPolarHBondContact OE1-CG 3.25Å; E54-Q59 PolarHBondContact OE1-NE2 2.83Å; E54-R62 IonicContact OE1-CZ 3.77Å; E54-R62 IonicContact OE1-NE 2.85Å; E54-R62 IonicContact OE1-NH2 2.89Å; E54-R62 PolarHBondContact OE1-NH2 2.8Å; E54-R62 IonicContact OE2-CZ 2.93Å; E54-R62 IonicContact OE2-NE 2.73Å; E54-R62 PolarHBondContact OE2-NE 3.1Å; E54-R62 IonicContact OE2-NH2 3.93Å; E54-A502 CarbonylContact C-O 3.57Å
55S92Very high93.7Very high12 Ų1239.1 Ų39.18%0.08417%0.174CC..  trans-71.7155.417270.80000109.8A57 L58 Q59 A502S55-A57 PolarHBondContact O-N 3.27Å; S55-L58 PolarHBondContact O-N 2.86Å; S55-L58 VanDerWaalsContact O-N 3.12Å; S55-L58 WeakPolarHBondContact OG-CG 3.23Å; S55-L58 PolarHBondContact OG-N 3.5Å; S55-Q59 PolarHBondContact O-N 3.42Å; S55-A502 WeakPolarHBondContact CA-O 3.47Å; S55-A502 WeakPolarHBondContact CB-O 3.39Å; S55-A502 PolarHBondContact N-O 2.73Å
56F94.3Very high93.8Very high7 Ų740.3 Ų40.33%0.03118%0.18CC..Hα-helixtrans-59.4-31.3178.3-174.9-118.7000112.1L46 V49 Q59 L60 I77 L79 Y239 L387 F418L46-F56 HydrophobicContact CD2-CD2 3.73Å; L46-F56 HydrophobicContact CD2-CE2 3.86Å; V49-F56 HydrophobicContact CG1-CB 4.4Å; V49-F56 HydrophobicContact CG2-CB 4.11Å; V49-F56 HydrophobicContact CG2-CD2 4.16Å; F56-Q59 WeakPolarHBondContact O-CB 3.37Å; F56-Q59 PolarHBondContact O-N 3.04Å; F56-L60 HydrophobicContact CD1-CD1 4.12Å; F56-L60 HydrophobicContact CD1-CG 4.3Å; F56-L60 HydrophobicContact CE1-CD1 3.66Å; F56-L60 HydrophobicContact CE1-CD2 4.27Å; F56-L60 HydrophobicContact CE1-CG 3.97Å; F56-L60 HydrophobicContact CE2-CD2 4.03Å; F56-L60 HydrophobicContact CE2-CG 4.22Å; F56-L60 HydrophobicContact CZ-CD1 4.01Å; F56-L60 HydrophobicContact CZ-CD2 3.75Å; F56-L60 HydrophobicContact CZ-CG 3.91Å; F56-L60 WeakPolarHBondContact O-CG 3.49Å; F56-L60 PolarHBondContact O-N 2.71Å; F56-I77 HydrophobicContact CZ-CD1 4.14Å; F56-L79 HydrophobicContact CE2-CD2 3.73Å; F56-L79 HydrophobicContact CZ-CD2 3.64Å; F56-Y239 HydrophobicContact CB-CE1 3.97Å; F56-Y239 WeakPolarHBondContact CB-OH 3.43Å; F56-Y239 AromaticContact CD1-CE1 3.6Å; F56-Y239 HydrophobicContact CD1-CE1 3.6Å; F56-Y239 HydrophobicContact CD2-CE1 4.21Å; F56-Y239 HydrophobicContact CE1-CE1 4.09Å; F56-Y239 AromaticContact CG-CE1 3.66Å; F56-Y239 HydrophobicContact CG-CE1 3.66Å; F56-L387 HydrophobicContact CD1-CD2 3.78Å; F56-L387 HydrophobicContact CE1-CD2 4.36Å; F56-F418 HydrophobicContact CE1-CD1 4.05Å; F56-F418 HydrophobicContact CE1-CD2 4.34Å; F56-F418 AromaticContact CE1-CE1 3.79Å; F56-F418 HydrophobicContact CE1-CE1 3.79Å; F56-F418 HydrophobicContact CE1-CE2 4.09Å; F56-F418 HydrophobicContact CE1-CG 4.31Å; F56-F418 AromaticContact CE1-CZ 3.82Å; F56-F418 HydrophobicContact CE1-CZ 3.82Å; F56-F418 HydrophobicContact CZ-CD2 4.22Å; F56-F418 HydrophobicContact CZ-CE1 4.48Å; F56-F418 AromaticContact CZ-CE2 3.96Å; F56-F418 HydrophobicContact CZ-CE2 3.96Å; F56-F418 HydrophobicContact CZ-CZ 4.11Å
57A94.6Very high93.9Very high4 Ų446.8 Ų46.83%0.03321%0.211CC..Hα-helixtrans-62.7-48.2174.100000113.2S55 Q59 L60 R61 P386 L387S55-A57 PolarHBondContact O-N 3.27Å; A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 3.11Å; A57-L60 PolarHBondContact O-N 3.17Å; A57-R61 PolarHBondContact O-N 3.46Å; A57-P386 HydrophobicContact CB-CB 3.72Å; A57-P386 HydrophobicContact CB-CG 3.27Å; A57-L387 HydrophobicContact CB-CD2 4.09Å
58L95.4Very high94Very high34 Ų3452.3 Ų52.318%0.17823%0.229CC..Hα-helixtrans-65.1-37176.2-66.5173.6000111.2E54 S55 R61 R62 L422 F500E54-L58 HydrophobicContact CB-CB 4.44Å; S55-L58 PolarHBondContact O-N 2.86Å; S55-L58 VanDerWaalsContact O-N 3.12Å; S55-L58 WeakPolarHBondContact OG-CG 3.23Å; S55-L58 PolarHBondContact OG-N 3.5Å; L58-R61 WeakPolarHBondContact O-CB 3.21Å; L58-R61 PolarHBondContact O-N 3.49Å; L58-R62 PolarHBondContact O-N 3.38Å; L58-L422 HydrophobicContact CD2-CD2 3.83Å; L58-F500 HydrophobicContact CD1-CB 4.11Å; L58-F500 HydrophobicContact CD2-CB 4.15Å; L58-F500 HydrophobicContact CD2-CD2 3.96Å; L58-F500 HydrophobicContact CD2-CG 4.49Å
59Q96.1Very high94.2Very high1 Ų149 Ų491%0.00522%0.217CC..Hα-helixtrans-61.6-47.7173.5-179.4172.798.700112.2N45 E54 S55 F56 A57 R61 R62 F63N45-Q59 VanDerWaalsContact O-CD 3.3Å; N45-Q59 PolarHBondContact O-NE2 3.05Å; N45-Q59 PolarHBondContact O-OE1 2.84Å; E54-Q59 HydrophobicContact CG-CB 4.04Å; E54-Q59 WeakPolarHBondContact OE1-CB 3.35Å; E54-Q59 WeakPolarHBondContact OE1-CG 3.25Å; E54-Q59 PolarHBondContact OE1-NE2 2.83Å; S55-Q59 PolarHBondContact O-N 3.42Å; F56-Q59 WeakPolarHBondContact O-CB 3.37Å; F56-Q59 PolarHBondContact O-N 3.04Å; A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 3.11Å; Q59-R61 VanDerWaalsContact C-N 3.3Å; Q59-R61 PolarHBondContact O-N 2.92Å; Q59-R62 WeakPolarHBondContact O-CB 3.39Å; Q59-R62 PolarHBondContact O-N 3.35Å; Q59-F63 VanDerWaalsContact CD-CZ 3.48Å; Q59-F63 HydrophobicContact CG-CD2 4.05Å; Q59-F63 HydrophobicContact CG-CE1 3.89Å; Q59-F63 HydrophobicContact CG-CE2 3.36Å; Q59-F63 HydrophobicContact CG-CZ 3.26Å; Q59-F63 VanDerWaalsContact O-CG 3.3Å; Q59-F63 WeakPolarHBondContact O-CG 3.48Å; Q59-F63 PolarHBondContact O-N 3.47Å
60L97Very high94.3Very high0 Ų055.9 Ų55.90%024%0.241CC..Hα-helixtrans-62.4-38.1176.1-71.5-174000111.8F56 A57 F63 Y64 I77 L86 L387 F418F56-L60 HydrophobicContact CD1-CD1 4.12Å; F56-L60 HydrophobicContact CD1-CG 4.3Å; F56-L60 HydrophobicContact CE1-CD1 3.66Å; F56-L60 HydrophobicContact CE1-CD2 4.27Å; F56-L60 HydrophobicContact CE1-CG 3.97Å; F56-L60 HydrophobicContact CE2-CD2 4.03Å; F56-L60 HydrophobicContact CE2-CG 4.22Å; F56-L60 HydrophobicContact CZ-CD1 4.01Å; F56-L60 HydrophobicContact CZ-CD2 3.75Å; F56-L60 HydrophobicContact CZ-CG 3.91Å; F56-L60 WeakPolarHBondContact O-CG 3.49Å; F56-L60 PolarHBondContact O-N 2.71Å; A57-L60 PolarHBondContact O-N 3.17Å; L60-F63 HydrophobicContact CD2-CD2 4.29Å; L60-F63 PolarHBondContact O-N 2.89Å; L60-Y64 WeakPolarHBondContact O-CB 3.34Å; L60-Y64 PolarHBondContact O-N 3.44Å; L60-I77 HydrophobicContact CD2-CD1 3.63Å; L60-L86 HydrophobicContact CB-CD1 4.49Å; L60-L86 HydrophobicContact CD2-CD1 4.4Å; L60-L86 HydrophobicContact CD2-CD2 4.41Å; L60-L387 HydrophobicContact CD1-CB 4.23Å; L60-L387 HydrophobicContact CD1-CD2 4.05Å; L60-F418 HydrophobicContact CD1-CB 3.75Å; L60-F418 HydrophobicContact CD1-CD1 4.32Å; L60-F418 HydrophobicContact CD1-CG 4.04Å
61R96.6Very high94.4Very high62 Ų6259.4 Ų59.423%0.23426%0.261CS..Hα-helixtrans-58.4-47.3172.3-180-167.2177.9-176.90.3111.2A57 L58 Q59 F63 Y64 F65 L422 A423A57-R61 PolarHBondContact O-N 3.46Å; L58-R61 WeakPolarHBondContact O-CB 3.21Å; L58-R61 PolarHBondContact O-N 3.49Å; Q59-R61 VanDerWaalsContact C-N 3.3Å; Q59-R61 PolarHBondContact O-N 2.92Å; R61-F63 VanDerWaalsContact C-N 3.33Å; R61-F63 PolarHBondContact O-N 3.19Å; R61-Y64 WeakPolarHBondContact O-CB 3.37Å; R61-Y64 PolarHBondContact O-N 2.95Å; R61-F65 HydrophobicContact CG-CD2 3.89Å; R61-F65 HydrophobicContact CG-CE2 3.85Å; R61-F65 VanDerWaalsContact O-CD2 3.31Å; R61-F65 WeakPolarHBondContact O-CD2 3.45Å; R61-F65 PolarHBondContact O-N 2.83Å; R61-L422 HydrophobicContact CB-CD2 4.32Å; R61-A423 HydrophobicContact CB-CB 4.33Å; R61-A423 HydrophobicContact CG-CB 4.13Å
62R96.6Very high94.7Very high109 Ų10954.4 Ų54.441%0.41124%0.244SC..Hα-helixtrans-60.9-41.4177.4-176.4170.262.391.91112.1R48 E54 L58 Q59 D66R48-R62 VanDerWaalsContact NH1-CZ 3.31Å; E54-R62 IonicContact OE1-CZ 3.77Å; E54-R62 IonicContact OE1-NE 2.85Å; E54-R62 IonicContact OE1-NH2 2.89Å; E54-R62 PolarHBondContact OE1-NH2 2.8Å; E54-R62 IonicContact OE2-CZ 2.93Å; E54-R62 IonicContact OE2-NE 2.73Å; E54-R62 PolarHBondContact OE2-NE 3.1Å; E54-R62 IonicContact OE2-NH2 3.93Å; L58-R62 PolarHBondContact O-N 3.38Å; Q59-R62 WeakPolarHBondContact O-CB 3.39Å; Q59-R62 PolarHBondContact O-N 3.35Å; R62-D66 PolarHBondContact O-N 2.91Å
63F97.6Very high95.2Very high6 Ų652.7 Ų52.73%0.02624%0.237CC..Hα-helixtrans-67.5-35.2175.6-60.9-20.2000112.7V37 N45 Q59 L60 R61 F65 D66 F69 I77 L86V37-F63 HydrophobicContact CB-CE1 4.5Å; V37-F63 HydrophobicContact CB-CZ 4.49Å; V37-F63 HydrophobicContact CG1-CD1 4.08Å; V37-F63 HydrophobicContact CG1-CE1 3.64Å; V37-F63 HydrophobicContact CG1-CE2 4.35Å; V37-F63 HydrophobicContact CG1-CZ 3.8Å; V37-F63 HydrophobicContact CG2-CB 4.11Å; V37-F63 HydrophobicContact CG2-CD1 3.82Å; V37-F63 HydrophobicContact CG2-CD2 3.91Å; V37-F63 HydrophobicContact CG2-CE1 4.18Å; V37-F63 HydrophobicContact CG2-CE2 4.25Å; V37-F63 HydrophobicContact CG2-CG 3.68Å; V37-F63 HydrophobicContact CG2-CZ 4.38Å; N45-F63 HydrophobicContact CB-CE2 3.99Å; N45-F63 HydrophobicContact CB-CZ 4.03Å; Q59-F63 VanDerWaalsContact CD-CZ 3.48Å; Q59-F63 HydrophobicContact CG-CD2 4.05Å; Q59-F63 HydrophobicContact CG-CE1 3.89Å; Q59-F63 HydrophobicContact CG-CE2 3.36Å; Q59-F63 HydrophobicContact CG-CZ 3.26Å; Q59-F63 VanDerWaalsContact O-CG 3.3Å; Q59-F63 WeakPolarHBondContact O-CG 3.48Å; Q59-F63 PolarHBondContact O-N 3.47Å; L60-F63 HydrophobicContact CD2-CD2 4.29Å; L60-F63 PolarHBondContact O-N 2.89Å; R61-F63 VanDerWaalsContact C-N 3.33Å; R61-F63 PolarHBondContact O-N 3.19Å; F63-F65 VanDerWaalsContact C-N 3.34Å; F63-F65 PolarHBondContact O-N 3.1Å; F63-D66 PolarHBondContact O-N 3.38Å; F63-F69 WeakPolarHBondContact O-CD2 3.38Å; F63-I77 HydrophobicContact CD2-CG2 3.95Å; F63-I77 HydrophobicContact CE2-CG2 4.28Å; F63-L86 HydrophobicContact CB-CD2 3.86Å
64Y97.9Very high95.6Very high3 Ų348.8 Ų48.81%0.01222%0.219CC..Hα-helixtrans-62.9-39.4177.5-178.4-77.7000112.4L60 R61 R88 A423 I424 D427L60-Y64 WeakPolarHBondContact O-CB 3.34Å; L60-Y64 PolarHBondContact O-N 3.44Å; R61-Y64 WeakPolarHBondContact O-CB 3.37Å; R61-Y64 PolarHBondContact O-N 2.95Å; Y64-R88 HydrophobicContact CD2-CB 4.23Å; Y64-R88 HydrophobicContact CD2-CG 3.66Å; Y64-R88 HydrophobicContact CE2-CB 3.82Å; Y64-R88 HydrophobicContact CE2-CG 3.79Å; Y64-R88 HydrophobicContact CG-CG 4.37Å; Y64-R88 PolarHBondContact O-NE 2.95Å; Y64-R88 PolarHBondContact O-NH2 2.85Å; Y64-A423 HydrophobicContact CD1-CB 3.56Å; Y64-A423 HydrophobicContact CD2-CB 3.81Å; Y64-A423 HydrophobicContact CE1-CB 4.19Å; Y64-A423 HydrophobicContact CE2-CB 4.39Å; Y64-A423 HydrophobicContact CG-CB 3.37Å; Y64-I424 HydrophobicContact CE2-CG1 3.98Å; Y64-D427 HydrophobicContact CE1-CB 4.29Å; Y64-D427 VanDerWaalsContact CE1-OD2 3.26Å; Y64-D427 WeakPolarHBondContact CE1-OD2 3.49Å; Y64-D427 PolarHBondContact OH-OD2 3.37Å
65F97.4Very high95.9Very high75 Ų7548.1 Ų48.133%0.32922%0.216SC..THydrogen-bonded Turntrans-91.83.2-178.8-70.8-63.3000114.6R61 F63 E67 A423 H426 D427R61-F65 HydrophobicContact CG-CD2 3.89Å; R61-F65 HydrophobicContact CG-CE2 3.85Å; R61-F65 VanDerWaalsContact O-CD2 3.31Å; R61-F65 WeakPolarHBondContact O-CD2 3.45Å; R61-F65 PolarHBondContact O-N 2.83Å; F63-F65 VanDerWaalsContact C-N 3.34Å; F63-F65 PolarHBondContact O-N 3.1Å; F65-E67 PolarHBondContact O-N 3.47Å; F65-A423 HydrophobicContact CD2-CB 4.48Å; F65-A423 HydrophobicContact CE2-CB 3.9Å; F65-A423 HydrophobicContact CZ-CB 4.36Å; F65-A423 WeakPolarHBondContact CZ-O 3.46Å; F65-H426 HydrophobicContact CZ-CB 4.47Å; F65-D427 HydrophobicContact CE1-CB 4.22Å; F65-D427 HydrophobicContact CZ-CB 4.26Å
66D97.3Very high96.2Very high34 Ų3447.5 Ų47.518%0.18221%0.212CC..  trans-66.5121.3176.3-169.7-49.5000110.1R62 F63 R68 F69R62-D66 PolarHBondContact O-N 2.91Å; F63-D66 PolarHBondContact O-N 3.38Å; D66-R68 PolarHBondContact O-N 3.37Å; D66-R68 VanDerWaalsContact OD1-CB 3.3Å; D66-R68 WeakPolarHBondContact OD1-CB 3.25Å; D66-R68 VanDerWaalsContact OD1-CG 3.29Å; D66-R68 WeakPolarHBondContact OD1-CG 3.49Å; D66-R68 IonicContact OD1-CZ 3.62Å; D66-R68 PolarHBondContact OD1-N 2.83Å; D66-R68 VanDerWaalsContact OD1-N 3.12Å; D66-R68 IonicContact OD1-NE 3.73Å; D66-R68 PolarHBondContact OD1-NE 2.99Å; D66-R68 IonicContact OD1-NH2 2.76Å; D66-R68 IonicContact OD2-CZ 3.64Å; D66-R68 IonicContact OD2-NE 2.79Å; D66-R68 PolarHBondContact OD2-NE 3.44Å; D66-R68 IonicContact OD2-NH2 3.18Å; D66-R68 PolarHBondContact OD2-NH2 3.31Å; D66-F69 HydrophobicContact CB-CD2 3.72Å; D66-F69 HydrophobicContact CB-CE2 3.94Å; D66-F69 PolarHBondContact O-N 2.86Å
67E96.3Very high96.3Very high135 Ų13547.2 Ų47.263%0.63121%0.21SC*.G310 helixtrans-53.1-29.1-175.6-74.6-62.3139.600113.2F65 F69 R70F65-E67 PolarHBondContact O-N 3.47Å; E67-F69 PolarHBondContact O-N 2.82Å; E67-F69 VanDerWaalsContact O-N 3.12Å; E67-R70 WeakPolarHBondContact O-CB 3.35Å; E67-R70 PolarHBondContact O-N 3.46Å; E67-R70 WeakPolarHBondContact OE2-CD 3.38Å; E67-R70 IonicContact OE2-NH1 2.73Å
68R96.1Very high96.4Very high131 Ų13147 Ų4749%0.49421%0.209SC..G310 helixtrans-60.3-25.7177.7-62.7176.8-67.8179.4-1113K35 D66K35-R68 WeakPolarHBondContact CD-O 3.12Å; K35-R68 PolarHBondContact NZ-O 2.86Å; K35-R68 VanDerWaalsContact NZ-O 3.16Å; D66-R68 PolarHBondContact O-N 3.37Å; D66-R68 VanDerWaalsContact OD1-CB 3.3Å; D66-R68 WeakPolarHBondContact OD1-CB 3.25Å; D66-R68 VanDerWaalsContact OD1-CG 3.29Å; D66-R68 WeakPolarHBondContact OD1-CG 3.49Å; D66-R68 IonicContact OD1-CZ 3.62Å; D66-R68 PolarHBondContact OD1-N 2.83Å; D66-R68 VanDerWaalsContact OD1-N 3.12Å; D66-R68 IonicContact OD1-NE 3.73Å; D66-R68 PolarHBondContact OD1-NE 2.99Å; D66-R68 IonicContact OD1-NH2 2.76Å; D66-R68 IonicContact OD2-CZ 3.64Å; D66-R68 IonicContact OD2-NE 2.79Å; D66-R68 PolarHBondContact OD2-NE 3.44Å; D66-R68 IonicContact OD2-NH2 3.18Å; D66-R68 PolarHBondContact OD2-NH2 3.31Å
69F96Very high96.4Very high4 Ų445.5 Ų45.52%0.01820%0.201CC..G310 helixtrans-109.44.6-177.3-47.6-51.4000113.4K35 V37 F63 D66 E67 N71 E72 V75 R88K35-F69 HydrophobicContact CB-CD1 3.73Å; K35-F69 HydrophobicContact CB-CE1 3.79Å; K35-F69 HydrophobicContact CD-CD1 4.28Å; V37-F69 HydrophobicContact CG2-CE2 3.73Å; V37-F69 HydrophobicContact CG2-CZ 3.93Å; F63-F69 WeakPolarHBondContact O-CD2 3.38Å; D66-F69 HydrophobicContact CB-CD2 3.72Å; D66-F69 HydrophobicContact CB-CE2 3.94Å; D66-F69 PolarHBondContact O-N 2.86Å; E67-F69 PolarHBondContact O-N 2.82Å; E67-F69 VanDerWaalsContact O-N 3.12Å; F69-N71 PolarHBondContact O-N 3.24Å; F69-E72 HydrophobicContact CB-CB 4.37Å; F69-E72 HydrophobicContact CB-CG 4.34Å; F69-E72 WeakPolarHBondContact O-CB 3.32Å; F69-E72 PolarHBondContact O-N 2.89Å; F69-V75 HydrophobicContact CB-CG2 3.52Å; F69-V75 HydrophobicContact CD1-CG1 4.01Å; F69-V75 HydrophobicContact CD1-CG2 4.07Å; F69-V75 HydrophobicContact CD2-CB 4.4Å; F69-V75 HydrophobicContact CD2-CG1 3.67Å; F69-V75 HydrophobicContact CD2-CG2 3.79Å; F69-V75 HydrophobicContact CE1-CG1 3.96Å; F69-V75 HydrophobicContact CE2-CG1 3.64Å; F69-V75 HydrophobicContact CG-CB 4.36Å; F69-V75 HydrophobicContact CG-CG1 3.89Å; F69-V75 HydrophobicContact CG-CG2 3.51Å; F69-V75 HydrophobicContact CZ-CG1 3.79Å; F69-R88 VanDerWaalsContact O-CZ 3.29Å; F69-R88 PolarHBondContact O-NH1 3.48Å
70R93.5Very high96.2Very high159 Ų15947 Ų4760%0.621%0.207SC*.THydrogen-bonded Turntrans-48-39.9-172.8179.9173.5173.4173.2-0.4114.5E67 R88E67-R70 WeakPolarHBondContact O-CB 3.35Å; E67-R70 PolarHBondContact O-N 3.46Å; E67-R70 WeakPolarHBondContact OE2-CD 3.38Å; E67-R70 IonicContact OE2-NH1 2.73Å; R70-R88 VanDerWaalsContact C-NH1 3.3Å; R70-R88 PolarHBondContact O-NH1 2.83Å; R70-R88 PolarHBondContact O-NH2 3.19Å
71N92.9Very high95.8Very high145 Ų14550.1 Ų50.178%0.77522%0.222SC*.THydrogen-bonded Turntrans-101.96.6-179-61.8-25.2000113.8F69F69-N71 PolarHBondContact O-N 3.24Å
72E95.6Very high95.7Very high50 Ų5048.5 Ų48.523%0.23422%0.217CC..  trans-89.7133.8179.9-57.5-62.6148.700110.8K35 F69 V74 R88K35-E72 HydrophobicContact CB-CG 4.2Å; K35-E72 HydrophobicContact CD-CG 3.74Å; K35-E72 VanDerWaalsContact CD-OE1 3.29Å; K35-E72 WeakPolarHBondContact CD-OE1 3.28Å; K35-E72 WeakPolarHBondContact CE-OE1 3.07Å; K35-E72 HydrophobicContact CG-CG 4.21Å; K35-E72 IonicContact NZ-OE1 2.92Å; K35-E72 PolarHBondContact NZ-OE1 3.11Å; F69-E72 HydrophobicContact CB-CB 4.37Å; F69-E72 HydrophobicContact CB-CG 4.34Å; F69-E72 WeakPolarHBondContact O-CB 3.32Å; F69-E72 PolarHBondContact O-N 2.89Å; E72-V74 VanDerWaalsContact C-N 3.27Å; E72-V74 PolarHBondContact O-N 3.14Å; E72-R88 PolarHBondContact O-NH1 3.49Å
73P96.5Very high95.6Very high34 Ų3443.9 Ų43.922%0.22120%0.201CC..SBendtrans-71.8-24.517629.5-35.3000112.3R88 D89 H406 A407P73-R88 PolarHBondContact O-N 3.09Å; P73-D89 HydrophobicContact CB-CB 3.71Å; P73-D89 PolarHBondContact O-N 3.27Å; P73-D89 VanDerWaalsContact O-N 3.1Å; P73-H406 VanDerWaalsContact CB-O 3.29Å; P73-H406 WeakPolarHBondContact CB-O 3.35Å; P73-H406 VanDerWaalsContact CG-O 3.24Å; P73-H406 WeakPolarHBondContact CG-O 3.39Å; P73-A407 HydrophobicContact CB-CB 4.3Å; P73-A407 HydrophobicContact CG-CB 3.71Å
74V97.4Very high95.6Very high5 Ų543.6 Ų43.63%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-142.6152.6179.2-610000111.4V34 E72 L85 L86 I87 L92 L403 A407V34-V74 HydrophobicContact CG1-CG2 4.23Å; E72-V74 VanDerWaalsContact C-N 3.27Å; E72-V74 PolarHBondContact O-N 3.14Å; V74-L85 HydrophobicContact CB-CD2 4.29Å; V74-L85 HydrophobicContact CG2-CD2 4.3Å; V74-L86 CarbonylContact C-O 3.55Å; V74-L86 WeakPolarHBondContact CA-O 3.2Å; V74-I87 HydrophobicContact CG1-CG1 4.29Å; V74-L92 HydrophobicContact CG1-CD2 3.41Å; V74-L92 VanDerWaalsContact CG1-CD2 3.41Å; V74-L403 HydrophobicContact CG1-CD1 4.28Å; V74-A407 HydrophobicContact CG1-CB 4.17Å; V74-A407 HydrophobicContact CG2-CB 4.05Å
75V97.7Very high95.6Very high0 Ų043.5 Ų43.50%020%0.2CC..EExtended strand (participates in β ladder)trans-123.9126.8175.2-176.30000109.3V37 F69 I77 L86 R88V37-V75 HydrophobicContact CG2-CG1 3.98Å; F69-V75 HydrophobicContact CB-CG2 3.52Å; F69-V75 HydrophobicContact CD1-CG1 4.01Å; F69-V75 HydrophobicContact CD1-CG2 4.07Å; F69-V75 HydrophobicContact CD2-CB 4.4Å; F69-V75 HydrophobicContact CD2-CG1 3.67Å; F69-V75 HydrophobicContact CD2-CG2 3.79Å; F69-V75 HydrophobicContact CE1-CG1 3.96Å; F69-V75 HydrophobicContact CE2-CG1 3.64Å; F69-V75 HydrophobicContact CG-CB 4.36Å; F69-V75 HydrophobicContact CG-CG1 3.89Å; F69-V75 HydrophobicContact CG-CG2 3.51Å; F69-V75 HydrophobicContact CZ-CG1 3.79Å; V75-I77 HydrophobicContact CG1-CG2 4.44Å; V75-L86 HydrophobicContact CB-CB 4.26Å; V75-L86 PolarHBondContact N-O 3.34Å; V75-L86 PolarHBondContact O-N 3.47Å; V75-R88 HydrophobicContact CG2-CG 4.36Å
76G97.5Very high95.6Very high0 Ų040 Ų400%018%0.184CC..EExtended strand (participates in β ladder)trans-72.8132.4171.600000111.5K35 F36 V37K35-G76 PolarHBondContact O-N 2.78Å; F36-G76 CarbonylContact C-O 3.53Å; F36-G76 WeakPolarHBondContact CA-O 3.41Å; F36-G76 WeakPolarHBondContact CB-O 3.48Å; V37-G76 PolarHBondContact N-O 2.87Å
77I97.4Very high95.7Very high0 Ų038.3 Ų38.30%018%0.175CC..EExtended strand (participates in β ladder)trans-133.3174.9170.668.7178.9000110W29 V37 N45 F56 L60 F63 V75 P83 A84 F418W29-I77 PolarHBondContact NE1-O 2.99Å; V37-I77 HydrophobicContact CB-CG2 4.35Å; V37-I77 HydrophobicContact CG2-CG2 3.92Å; N45-I77 WeakPolarHBondContact OD1-CA 3.47Å; N45-I77 WeakPolarHBondContact OD1-CB 3.17Å; F56-I77 HydrophobicContact CZ-CD1 4.14Å; L60-I77 HydrophobicContact CD2-CD1 3.63Å; F63-I77 HydrophobicContact CD2-CG2 3.95Å; F63-I77 HydrophobicContact CE2-CG2 4.28Å; V75-I77 HydrophobicContact CG1-CG2 4.44Å; I77-P83 WeakPolarHBondContact O-CA 3.45Å; I77-A84 HydrophobicContact CD1-CB 4.26Å; I77-A84 HydrophobicContact CG1-CB 3.74Å; I77-A84 PolarHBondContact N-O 2.57Å; I77-A84 PolarHBondContact O-N 2.66Å; I77-A84 VanDerWaalsContact O-O 3.14Å; I77-F418 HydrophobicContact CD1-CD2 4.06Å; I77-F418 HydrophobicContact CD1-CE2 4.45Å
78Y96.3Very high95.7Very high0 Ų033.3 Ų33.30%015%0.151CC..EExtended strand (participates in β ladder)trans-134123.5179.4-64.2-83.3000110.6Y26 Y28 W29 F36 P39 N45 Q82 P83Y26-Y78 VanDerWaalsContact C-OH 3.31Å; Y26-Y78 AromaticContact CD1-CD1 3.74Å; Y26-Y78 HydrophobicContact CD1-CD1 3.74Å; Y26-Y78 HydrophobicContact CD1-CD2 4Å; Y26-Y78 AromaticContact CD1-CE1 3.89Å; Y26-Y78 HydrophobicContact CD1-CE1 3.89Å; Y26-Y78 HydrophobicContact CD1-CE2 4.1Å; Y26-Y78 AromaticContact CD1-CG 3.8Å; Y26-Y78 HydrophobicContact CD1-CG 3.8Å; Y26-Y78 AromaticContact CE1-CD1 3.99Å; Y26-Y78 HydrophobicContact CE1-CD1 3.99Å; Y26-Y78 HydrophobicContact CE1-CD2 4.42Å; Y26-Y78 AromaticContact CE1-CG 3.9Å; Y26-Y78 HydrophobicContact CE1-CG 3.9Å; Y26-Y78 PolarHBondContact O-OH 3Å; Y28-Y78 PolarHBondContact N-OH 2.86Å; W29-Y78 AromaticContact CD1-CE1 3.89Å; W29-Y78 AromaticContact CD1-CE2 3.41Å; W29-Y78 VanDerWaalsContact CD1-CE2 3.41Å; W29-Y78 AromaticContact CD1-CZ 3.25Å; W29-Y78 VanDerWaalsContact CD1-OH 3.3Å; W29-Y78 HydrophobicContact CG-CE2 4.48Å; W29-Y78 PolarHBondContact N-OH 3.02Å; W29-Y78 AromaticContact NE1-CZ 3.82Å; F36-Y78 AromaticContact CD2-CE2 3.93Å; F36-Y78 HydrophobicContact CD2-CE2 3.93Å; F36-Y78 HydrophobicContact CE2-CE2 4.39Å; P39-Y78 HydrophobicContact CB-CD2 3.85Å; P39-Y78 HydrophobicContact CB-CE2 4.47Å; P39-Y78 HydrophobicContact CB-CG 4.41Å; P39-Y78 HydrophobicContact CG-CD2 3.86Å; P39-Y78 HydrophobicContact CG-CE2 3.97Å; N45-Y78 PolarHBondContact N-O 2.68Å; N45-Y78 PolarHBondContact OD1-N 3.06Å; Y78-Q82 WeakPolarHBondContact CA-O 3Å; Y78-P83 HydrophobicContact CD1-CB 4.22Å; Y78-P83 HydrophobicContact CD1-CG 4.3Å; Y78-P83 HydrophobicContact CE1-CB 4.12Å; Y78-P83 HydrophobicContact CE1-CG 4.09Å
79L94.8Very high95.7Very high2 Ų229.3 Ų29.31%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-93.1100.9164.8-53.1-175.4000107.5L46 F56 H81 Q82 A84 F108 Y239 P416 F418L46-L79 HydrophobicContact CD1-CB 4.06Å; L46-L79 HydrophobicContact CD1-CD2 4.13Å; L46-L79 HydrophobicContact CD2-CD2 3.9Å; L46-L79 HydrophobicContact CG-CD2 4.11Å; F56-L79 HydrophobicContact CE2-CD2 3.73Å; F56-L79 HydrophobicContact CZ-CD2 3.64Å; L79-H81 PolarHBondContact O-N 3.27Å; L79-Q82 PolarHBondContact N-O 2.81Å; L79-Q82 WeakPolarHBondContact O-CB 2.95Å; L79-Q82 PolarHBondContact O-N 3.09Å; L79-A84 HydrophobicContact CG-CB 4.35Å; L79-F108 HydrophobicContact CD1-CD1 4.4Å; L79-F108 HydrophobicContact CD1-CE1 3.88Å; L79-Y239 HydrophobicContact CD1-CD1 4.48Å; L79-Y239 HydrophobicContact CD2-CD1 4.5Å; L79-P416 HydrophobicContact CD1-CG 4.08Å; L79-F418 HydrophobicContact CD1-CE2 3.87Å; L79-F418 HydrophobicContact CD1-CZ 3.83Å; L79-F418 HydrophobicContact CD2-CE2 4.45Å; L79-F418 HydrophobicContact CG-CE2 4.43Å
80F92Very high95.8Very high33 Ų3329.6 Ų29.615%0.14514%0.141CC..THydrogen-bonded Turntrans53.1-105.6-164.8-64.1-91.6000111.6Y26 L42 L43 G44 L46 L50 F235 L240Y26-F80 WeakPolarHBondContact CE1-O 3.01Å; Y26-F80 PolarHBondContact OH-O 2.8Å; L42-F80 WeakPolarHBondContact O-CD1 3.38Å; L43-F80 HydrophobicContact CD2-CD1 4.28Å; L43-F80 HydrophobicContact CD2-CE1 3.88Å; L43-F80 PolarHBondContact O-N 3.25Å; G44-F80 WeakPolarHBondContact CA-O 3.33Å; G44-F80 PolarHBondContact N-O 2.63Å; L46-F80 HydrophobicContact CD1-CD2 3.63Å; L46-F80 HydrophobicContact CD1-CE2 3.56Å; L46-F80 HydrophobicContact CD1-CZ 4.48Å; L50-F80 HydrophobicContact CD1-CE1 4.11Å; L50-F80 HydrophobicContact CD1-CZ 3.94Å; L50-F80 HydrophobicContact CD2-CZ 4.46Å; F80-F235 AromaticContact CE2-CE1 3.42Å; F80-F235 HydrophobicContact CE2-CE1 3.42Å; F80-F235 VanDerWaalsContact CE2-CE1 3.42Å; F80-F235 AromaticContact CE2-CZ 3.41Å; F80-F235 HydrophobicContact CE2-CZ 3.41Å; F80-F235 VanDerWaalsContact CE2-CZ 3.41Å; F80-F235 AromaticContact CZ-CE1 3.48Å; F80-F235 HydrophobicContact CZ-CE1 3.48Å; F80-F235 VanDerWaalsContact CZ-CE1 3.48Å; F80-F235 AromaticContact CZ-CZ 3.5Å; F80-F235 HydrophobicContact CZ-CZ 3.5Å; F80-L240 HydrophobicContact CB-CD2 4.43Å; F80-L240 HydrophobicContact CD2-CD1 4.16Å; F80-L240 HydrophobicContact CD2-CD2 3.39Å; F80-L240 HydrophobicContact CD2-CG 3.86Å; F80-L240 HydrophobicContact CE2-CD1 3.63Å; F80-L240 HydrophobicContact CE2-CD2 3.74Å; F80-L240 HydrophobicContact CE2-CG 3.67Å; F80-L240 HydrophobicContact CG-CD2 3.99Å; F80-L240 HydrophobicContact CZ-CD1 3.93Å; F80-L240 HydrophobicContact CZ-CG 4.47Å
81H89.5Confident96Very high66 Ų6626.2 Ų26.231%0.30613%0.132SC..THydrogen-bonded Turntrans-105.1-6.4179.364.6-88.5000112.8W21 T25 L79 P83W21-H81 HydrophobicContact CH2-CB 3.29Å; W21-H81 AromaticContact CH2-CD2 3.95Å; W21-H81 AromaticContact CH2-CG 3.4Å; W21-H81 AromaticContact CH2-ND1 3.8Å; W21-H81 HydrophobicContact CZ2-CB 3.81Å; W21-H81 AromaticContact CZ2-CD2 3.92Å; W21-H81 AromaticContact CZ2-CG 3.82Å; W21-H81 HydrophobicContact CZ3-CB 4.03Å; T25-H81 HydrophobicContact CG2-CB 4.08Å; T25-H81 WeakPolarHBondContact CG2-O 3.39Å; L79-H81 PolarHBondContact O-N 3.27Å; H81-P83 WeakPolarHBondContact O-CD 3.32Å
82Q92.7Very high96.2Very high27 Ų2719.4 Ų19.413%0.12610%0.095CC..EExtended strand (participates in β ladder)trans-85.5115-179.51786250.800109Y78 L79 F108 P416Y78-Q82 WeakPolarHBondContact CA-O 3Å; L79-Q82 PolarHBondContact N-O 2.81Å; L79-Q82 WeakPolarHBondContact O-CB 2.95Å; L79-Q82 PolarHBondContact O-N 3.09Å; Q82-F108 HydrophobicContact CG-CZ 4.28Å; Q82-P416 HydrophobicContact CG-CG 4.17Å
83P95.5Very high96.3Very high13 Ų1317 Ų178%0.0848%0.084CC..EExtended strand (participates in β ladder)trans-65.4143.3172-1327.6000109.9Y28 W29 I77 Y78 H81 M415Y28-P83 HydrophobicContact CD1-CB 3.42Å; Y28-P83 VanDerWaalsContact CD1-CB 3.42Å; Y28-P83 HydrophobicContact CD1-CG 3.52Å; Y28-P83 HydrophobicContact CD2-CG 4.2Å; Y28-P83 HydrophobicContact CE1-CB 3.6Å; Y28-P83 HydrophobicContact CE1-CG 3.91Å; Y28-P83 HydrophobicContact CG-CB 4.12Å; Y28-P83 HydrophobicContact CG-CG 3.68Å; W29-P83 HydrophobicContact CZ2-CB 3.62Å; I77-P83 WeakPolarHBondContact O-CA 3.45Å; Y78-P83 HydrophobicContact CD1-CB 4.22Å; Y78-P83 HydrophobicContact CD1-CG 4.3Å; Y78-P83 HydrophobicContact CE1-CB 4.12Å; Y78-P83 HydrophobicContact CE1-CG 4.09Å; H81-P83 WeakPolarHBondContact O-CD 3.32Å; P83-M415 HydrophobicContact CB-CE 3.96Å; P83-M415 WeakPolarHBondContact O-CG 3.08Å
84A97.4Very high96.3Very high0 Ų020.2 Ų20.20%09%0.092CC..EExtended strand (participates in β ladder)trans-140161.3175.700000110.8W29 I77 L79 P416 F418W29-A84 WeakPolarHBondContact CZ2-O 3.34Å; I77-A84 HydrophobicContact CD1-CB 4.26Å; I77-A84 HydrophobicContact CG1-CB 3.74Å; I77-A84 PolarHBondContact N-O 2.57Å; I77-A84 PolarHBondContact O-N 2.66Å; I77-A84 VanDerWaalsContact O-O 3.14Å; L79-A84 HydrophobicContact CG-CB 4.35Å; A84-P416 WeakPolarHBondContact CA-O 3.39Å; A84-P416 HydrophobicContact CB-CB 4.06Å; A84-P416 HydrophobicContact CB-CG 3.62Å; A84-F418 HydrophobicContact CB-CD2 4.15Å; A84-F418 HydrophobicContact CB-CE2 3.83Å
85L97.7Very high96.3Very high1 Ų120.5 Ų20.51%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-112.4137.5177-71.7169.2000110.9W29 V74 L403 T411 M415 P416 V417 F418W29-L85 HydrophobicContact CE3-CD2 4.5Å; W29-L85 HydrophobicContact CH2-CD1 4.23Å; W29-L85 HydrophobicContact CH2-CD2 3.23Å; W29-L85 HydrophobicContact CH2-CG 3.52Å; W29-L85 HydrophobicContact CZ2-CD2 3.89Å; W29-L85 HydrophobicContact CZ2-CG 4.13Å; W29-L85 HydrophobicContact CZ3-CD2 3.59Å; W29-L85 HydrophobicContact CZ3-CG 4.29Å; V74-L85 HydrophobicContact CB-CD2 4.29Å; V74-L85 HydrophobicContact CG2-CD2 4.3Å; L85-L403 HydrophobicContact CD1-CD1 3.58Å; L85-T411 HydrophobicContact CD1-CG2 4.23Å; L85-T411 VanDerWaalsContact CD1-OG1 3.26Å; L85-T411 WeakPolarHBondContact CD1-OG1 3.19Å; L85-M415 HydrophobicContact CD1-SD 4.11Å; L85-M415 HydrophobicContact CG-SD 4.1Å; L85-P416 PolarHBondContact N-O 3.17Å; L85-V417 HydrophobicContact CB-CG2 4.48Å; L85-V417 CarbonylContact O-C 3.58Å; L85-V417 WeakPolarHBondContact O-CA 3.49Å; L85-F418 PolarHBondContact O-N 2.87Å
86L98.3Very high96.3Very high0 Ų020.5 Ų20.50%09%0.093CC..EExtended strand (participates in β ladder)trans-101.2119.4160.6169.963000108L60 F63 V74 V75 F418L60-L86 HydrophobicContact CB-CD1 4.49Å; L60-L86 HydrophobicContact CD2-CD1 4.4Å; L60-L86 HydrophobicContact CD2-CD2 4.41Å; F63-L86 HydrophobicContact CB-CD2 3.86Å; V74-L86 CarbonylContact C-O 3.55Å; V74-L86 WeakPolarHBondContact CA-O 3.2Å; V75-L86 HydrophobicContact CB-CB 4.26Å; V75-L86 PolarHBondContact N-O 3.34Å; V75-L86 PolarHBondContact O-N 3.47Å; L86-F418 CarbonylContact C-O 3.5Å; L86-F418 WeakPolarHBondContact CA-O 3.43Å
87I98Very high96.3Very high0 Ų020.5 Ų20.50%09%0.093CC..EExtended strand (participates in β ladder)trans-87.5135177.9-61.3175.7000109.7V74 D89 L92 V93 V96 V417 F418 I419V74-I87 HydrophobicContact CG1-CG1 4.29Å; I87-D89 WeakPolarHBondContact CG2-O 3.48Å; I87-L92 HydrophobicContact CD1-CD2 4.39Å; I87-L92 HydrophobicContact CD1-CG 4.12Å; I87-L92 HydrophobicContact CG1-CD2 4.34Å; I87-L92 HydrophobicContact CG2-CB 3.94Å; I87-L92 HydrophobicContact CG2-CD2 4.12Å; I87-L92 HydrophobicContact CG2-CG 4.03Å; I87-V93 HydrophobicContact CB-CG2 4.37Å; I87-V93 HydrophobicContact CG2-CG2 3.61Å; I87-V96 HydrophobicContact CD1-CB 4.19Å; I87-V96 HydrophobicContact CD1-CG1 4.42Å; I87-V96 HydrophobicContact CD1-CG2 3.64Å; I87-V417 HydrophobicContact CD1-CG1 3.19Å; I87-V417 HydrophobicContact CG1-CG1 3.72Å; I87-F418 PolarHBondContact N-O 2.91Å; I87-I419 HydrophobicContact CB-CG1 4.23Å; I87-I419 HydrophobicContact CD1-CG1 4.41Å
88R97.2Very high96.3Very high30 Ų3023.3 Ų23.311%0.11311%0.11CC..  trans-114.2-32.7174.6-57.8-177.466-1096.1113Y64 F69 R70 E72 P73 V75Y64-R88 HydrophobicContact CD2-CB 4.23Å; Y64-R88 HydrophobicContact CD2-CG 3.66Å; Y64-R88 HydrophobicContact CE2-CB 3.82Å; Y64-R88 HydrophobicContact CE2-CG 3.79Å; Y64-R88 HydrophobicContact CG-CG 4.37Å; Y64-R88 PolarHBondContact O-NE 2.95Å; Y64-R88 PolarHBondContact O-NH2 2.85Å; F69-R88 VanDerWaalsContact O-CZ 3.29Å; F69-R88 PolarHBondContact O-NH1 3.48Å; R70-R88 VanDerWaalsContact C-NH1 3.3Å; R70-R88 PolarHBondContact O-NH1 2.83Å; R70-R88 PolarHBondContact O-NH2 3.19Å; E72-R88 PolarHBondContact O-NH1 3.49Å; P73-R88 PolarHBondContact O-N 3.09Å; V75-R88 HydrophobicContact CG2-CG 4.36Å
89D96.8Very high96.3Very high46 Ų4628.1 Ų28.125%0.24613%0.133CC..  trans-73.7124.3-180179.265.8000112.5P73 I87 Q91 L92 V93 H406P73-D89 HydrophobicContact CB-CB 3.71Å; P73-D89 PolarHBondContact O-N 3.27Å; P73-D89 VanDerWaalsContact O-N 3.1Å; I87-D89 WeakPolarHBondContact CG2-O 3.48Å; D89-Q91 VanDerWaalsContact C-N 3.32Å; D89-Q91 PolarHBondContact O-N 2.83Å; D89-Q91 WeakPolarHBondContact OD2-CB 3.38Å; D89-Q91 PolarHBondContact OD2-N 2.94Å; D89-L92 HydrophobicContact CB-CB 4.14Å; D89-L92 PolarHBondContact O-N 3.03Å; D89-L92 PolarHBondContact OD2-N 3.28Å; D89-V93 WeakPolarHBondContact O-CG2 3.43Å; D89-V93 PolarHBondContact O-N 3.48Å; D89-H406 IonicContact OD2-CG 3.61Å; D89-H406 IonicContact OD2-ND1 2.85Å
90L97.3Very high96.3Very high11 Ų1131 Ų316%0.05815%0.149CC..Hα-helixtrans-68.2-27.5-175.3-67.4-173.8000113.6V93 R94 I424 Y430 A451 P452 M453L90-V93 WeakPolarHBondContact O-CB 3.2Å; L90-V93 PolarHBondContact O-N 2.93Å; L90-R94 PolarHBondContact O-N 3.48Å; L90-I424 HydrophobicContact CD2-CD1 4.04Å; L90-I424 HydrophobicContact CD2-CG1 4.38Å; L90-I424 HydrophobicContact CD2-CG2 3.96Å; L90-Y430 HydrophobicContact CD1-CD1 4.01Å; L90-Y430 HydrophobicContact CD1-CD2 4.2Å; L90-Y430 HydrophobicContact CD1-CE1 3.52Å; L90-Y430 HydrophobicContact CD1-CE2 3.75Å; L90-Y430 HydrophobicContact CD1-CG 4.34Å; L90-Y430 HydrophobicContact CD2-CE2 4.31Å; L90-Y430 HydrophobicContact CG-CE1 4.33Å; L90-Y430 HydrophobicContact CG-CE2 4.05Å; L90-A451 HydrophobicContact CD1-CB 4.15Å; L90-P452 WeakPolarHBondContact CD1-O 3.31Å; L90-M453 HydrophobicContact CB-CB 4.39Å; L90-M453 HydrophobicContact CD2-CB 4.39Å
91Q96.8Very high96.4Very high88 Ų8830.6 Ų30.641%0.41115%0.146SC..Hα-helixtrans-71.7-41.5174.3-61.9-60.9-25.200110.3D89 V93 R94 T95 H406D89-Q91 VanDerWaalsContact C-N 3.32Å; D89-Q91 PolarHBondContact O-N 2.83Å; D89-Q91 WeakPolarHBondContact OD2-CB 3.38Å; D89-Q91 PolarHBondContact OD2-N 2.94Å; Q91-V93 VanDerWaalsContact C-N 3.27Å; Q91-V93 PolarHBondContact O-N 3.39Å; Q91-R94 WeakPolarHBondContact O-CA 3.33Å; Q91-R94 VanDerWaalsContact O-CB 3.24Å; Q91-R94 WeakPolarHBondContact O-CB 3.39Å; Q91-R94 PolarHBondContact O-N 3.25Å; Q91-T95 PolarHBondContact O-N 3.46Å; Q91-T95 PolarHBondContact O-OG1 2.98Å; Q91-H406 WeakPolarHBondContact CB-CE1 3.12Å; Q91-H406 WeakPolarHBondContact CB-ND1 3.37Å
92L97Very high96.7Very high1 Ų131.9 Ų31.91%0.00516%0.159CC..Hα-helixtrans-63.7-33.5172.4-169.454.3000112.8V74 I87 D89 R94 T95 V96 L403 H406 A407V74-L92 HydrophobicContact CG1-CD2 3.41Å; V74-L92 VanDerWaalsContact CG1-CD2 3.41Å; I87-L92 HydrophobicContact CD1-CD2 4.39Å; I87-L92 HydrophobicContact CD1-CG 4.12Å; I87-L92 HydrophobicContact CG1-CD2 4.34Å; I87-L92 HydrophobicContact CG2-CB 3.94Å; I87-L92 HydrophobicContact CG2-CD2 4.12Å; I87-L92 HydrophobicContact CG2-CG 4.03Å; D89-L92 HydrophobicContact CB-CB 4.14Å; D89-L92 PolarHBondContact O-N 3.03Å; D89-L92 PolarHBondContact OD2-N 3.28Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-T95 PolarHBondContact O-N 3.3Å; L92-V96 HydrophobicContact CD1-CG2 4.43Å; L92-V96 WeakPolarHBondContact O-CG2 3.29Å; L92-V96 PolarHBondContact O-N 3.04Å; L92-L403 HydrophobicContact CD1-CB 4.27Å; L92-L403 HydrophobicContact CD1-CD2 3.96Å; L92-L403 HydrophobicContact CD2-CB 4.3Å; L92-L403 HydrophobicContact CD2-CD1 4.19Å; L92-L403 HydrophobicContact CD2-CD2 4.5Å; L92-H406 HydrophobicContact CB-CB 3.87Å; L92-H406 HydrophobicContact CD1-CB 4.1Å; L92-H406 HydrophobicContact CD2-CB 4.33Å; L92-H406 HydrophobicContact CG-CB 4.32Å; L92-A407 HydrophobicContact CD2-CB 4.36Å
93V97.8Very high96.9Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-59.8-45.6170174.30000110.8I87 D89 L90 Q91 V96 L97 I419 I424 M453 M456I87-V93 HydrophobicContact CB-CG2 4.37Å; I87-V93 HydrophobicContact CG2-CG2 3.61Å; D89-V93 WeakPolarHBondContact O-CG2 3.43Å; D89-V93 PolarHBondContact O-N 3.48Å; L90-V93 WeakPolarHBondContact O-CB 3.2Å; L90-V93 PolarHBondContact O-N 2.93Å; Q91-V93 VanDerWaalsContact C-N 3.27Å; Q91-V93 PolarHBondContact O-N 3.39Å; V93-V96 PolarHBondContact O-N 3.24Å; V93-L97 HydrophobicContact CG1-CD1 3.72Å; V93-L97 HydrophobicContact CG1-CG 4.24Å; V93-L97 WeakPolarHBondContact O-CB 3.44Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 2.92Å; V93-I419 HydrophobicContact CG1-CD1 3.96Å; V93-I419 HydrophobicContact CG1-CG1 4.48Å; V93-I419 HydrophobicContact CG1-CG2 4.12Å; V93-I419 HydrophobicContact CG2-CD1 4.41Å; V93-I419 HydrophobicContact CG2-CG1 4.14Å; V93-I419 HydrophobicContact CG2-CG2 3.94Å; V93-I424 HydrophobicContact CG2-CD1 4.44Å; V93-M453 HydrophobicContact CG1-CB 4.25Å; V93-M453 HydrophobicContact CG1-CE 3.81Å; V93-M456 HydrophobicContact CG1-CE 3.77Å; V93-M456 HydrophobicContact CG1-SD 3.78Å
94R97.6Very high96.9Very high102 Ų10230.3 Ų30.339%0.38515%0.151SC..Hα-helixtrans-58.3-47.3174.6-172.3-177.7169.2125.52.8111.8L90 Q91 L92 V96 L97 V98 E99 M453L90-R94 PolarHBondContact O-N 3.48Å; Q91-R94 WeakPolarHBondContact O-CA 3.33Å; Q91-R94 VanDerWaalsContact O-CB 3.24Å; Q91-R94 WeakPolarHBondContact O-CB 3.39Å; Q91-R94 PolarHBondContact O-N 3.25Å; L92-R94 VanDerWaalsContact C-N 3.35Å; R94-V96 PolarHBondContact O-N 3.28Å; R94-L97 PolarHBondContact O-N 3.04Å; R94-V98 WeakPolarHBondContact O-CA 3.49Å; R94-V98 VanDerWaalsContact O-CB 3.31Å; R94-V98 WeakPolarHBondContact O-CB 3.43Å; R94-V98 PolarHBondContact O-N 2.97Å; R94-E99 WeakPolarHBondContact CD-OE1 3.4Å; R94-E99 HydrophobicContact CG-CG 4.29Å; R94-E99 IonicContact CZ-OE1 2.9Å; R94-E99 IonicContact NE-OE1 3.22Å; R94-E99 PolarHBondContact NE-OE1 3.32Å; R94-E99 PolarHBondContact O-N 3.18Å; R94-M453 HydrophobicContact CB-CE 4.28Å; R94-M453 HydrophobicContact CB-CG 3.83Å; R94-M453 HydrophobicContact CB-SD 4.3Å; R94-M453 HydrophobicContact CG-CG 4.41Å; R94-M453 HydrophobicContact CG-SD 4.43Å
95T96.9Very high96.8Very high11 Ų1130.8 Ų30.87%0.06715%0.154CC..Iπ-helixtrans-60.7-47.6179.4-55.50000111.8Q91 L92 E99 D100Q91-T95 PolarHBondContact O-N 3.46Å; Q91-T95 PolarHBondContact O-OG1 2.98Å; L92-T95 PolarHBondContact O-N 3.3Å; T95-E99 WeakPolarHBondContact CA-OE2 3.44Å; T95-E99 PolarHBondContact O-N 2.93Å; T95-E99 PolarHBondContact OG1-OE2 3.29Å; T95-D100 HydrophobicContact CG2-CB 4.11Å; T95-D100 WeakPolarHBondContact CG2-OD2 3.45Å; T95-D100 PolarHBondContact O-N 2.73Å
96V97.1Very high96.8Very high0 Ų031.7 Ų31.70%016%0.159CC..Iπ-helixtrans-68.7-38.3-178.61680000112.9I87 L92 V93 R94 F104 R390 V417I87-V96 HydrophobicContact CD1-CB 4.19Å; I87-V96 HydrophobicContact CD1-CG1 4.42Å; I87-V96 HydrophobicContact CD1-CG2 3.64Å; L92-V96 HydrophobicContact CD1-CG2 4.43Å; L92-V96 WeakPolarHBondContact O-CG2 3.29Å; L92-V96 PolarHBondContact O-N 3.04Å; V93-V96 PolarHBondContact O-N 3.24Å; R94-V96 PolarHBondContact O-N 3.28Å; V96-F104 HydrophobicContact CB-CD2 4.36Å; V96-F104 HydrophobicContact CB-CG 4.47Å; V96-F104 HydrophobicContact CG1-CB 4.16Å; V96-F104 HydrophobicContact CG1-CD1 4.01Å; V96-F104 HydrophobicContact CG1-CD2 4.27Å; V96-F104 HydrophobicContact CG1-CE1 4.5Å; V96-F104 HydrophobicContact CG1-CG 3.89Å; V96-F104 HydrophobicContact CG2-CD2 4.21Å; V96-F104 HydrophobicContact CG2-CE1 4.27Å; V96-F104 HydrophobicContact CG2-CE2 3.95Å; V96-F104 HydrophobicContact CG2-CG 4.5Å; V96-F104 HydrophobicContact CG2-CZ 3.98Å; V96-F104 WeakPolarHBondContact O-CB 3.31Å; V96-R390 HydrophobicContact CG1-CB 4.27Å; V96-R390 HydrophobicContact CG1-CG 4.02Å; V96-V417 HydrophobicContact CG1-CG1 4.26Å
97L97.8Very high96.7Very high0 Ų034.9 Ų34.90%017%0.171CC..Iπ-helixtrans-86.9-30.3-175.5-65.1-174.3000113.6V93 R94 L388 R390 I419 M453 M456 A460 G461V93-L97 HydrophobicContact CG1-CD1 3.72Å; V93-L97 HydrophobicContact CG1-CG 4.24Å; V93-L97 WeakPolarHBondContact O-CB 3.44Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 2.92Å; R94-L97 PolarHBondContact O-N 3.04Å; L97-L388 HydrophobicContact CD1-CD1 3.76Å; L97-R390 HydrophobicContact CD2-CG 4.16Å; L97-I419 HydrophobicContact CD1-CD1 3.83Å; L97-I419 HydrophobicContact CD2-CD1 3.69Å; L97-I419 HydrophobicContact CG-CD1 3.68Å; L97-M453 HydrophobicContact CB-CE 4.1Å; L97-M453 HydrophobicContact CD1-CE 3.93Å; L97-M456 HydrophobicContact CD1-SD 3.92Å; L97-A460 HydrophobicContact CB-CB 4.3Å; L97-A460 HydrophobicContact CD1-CB 3.93Å; L97-G461 WeakPolarHBondContact O-CA 3.39Å
98V97.3Very high96.6Very high59 Ų5935.4 Ų35.436%0.35817%0.174SC..Iπ-helixtrans-122.3-64.6-168.7-171.70000111.9R94 F101 M453 A460R94-V98 WeakPolarHBondContact O-CA 3.49Å; R94-V98 VanDerWaalsContact O-CB 3.31Å; R94-V98 WeakPolarHBondContact O-CB 3.43Å; R94-V98 PolarHBondContact O-N 2.97Å; V98-F101 WeakPolarHBondContact O-CB 3.39Å; V98-M453 HydrophobicContact CG2-CE 4.19Å; V98-A460 HydrophobicContact CG2-CB 4.44Å
99E96.4Very high96.5Very high100 Ų10034 Ų3447%0.46717%0.168SC..Iπ-helixtrans-71-49.6-163.4-56167.2161.400111.7R94 T95R94-E99 WeakPolarHBondContact CD-OE1 3.4Å; R94-E99 HydrophobicContact CG-CG 4.29Å; R94-E99 IonicContact CZ-OE1 2.9Å; R94-E99 IonicContact NE-OE1 3.22Å; R94-E99 PolarHBondContact NE-OE1 3.32Å; R94-E99 PolarHBondContact O-N 3.18Å; T95-E99 WeakPolarHBondContact CA-OE2 3.44Å; T95-E99 PolarHBondContact O-N 2.93Å; T95-E99 PolarHBondContact OG1-OE2 3.29Å
100D95Very high96.4Very high64 Ų6435.8 Ų35.834%0.34217%0.174SC..THydrogen-bonded Turntrans-103.732.3179.1-79.1-57.7000112T95 V102 S103 F104 Y401T95-D100 HydrophobicContact CG2-CB 4.11Å; T95-D100 WeakPolarHBondContact CG2-OD2 3.45Å; T95-D100 PolarHBondContact O-N 2.73Å; D100-V102 PolarHBondContact O-N 2.71Å; D100-S103 PolarHBondContact O-N 2.95Å; D100-F104 HydrophobicContact CB-CD2 4.47Å; D100-F104 HydrophobicContact CB-CE2 4.49Å; D100-F104 WeakPolarHBondContact O-CD2 3.48Å; D100-F104 PolarHBondContact O-N 3.28Å; D100-Y401 HydrophobicContact CB-CE2 4.12Å; D100-Y401 WeakPolarHBondContact CB-OH 3.45Å; D100-Y401 PolarHBondContact OD2-OH 2.97Å
101F95.3Very high96.2Very high23 Ų2335.6 Ų35.610%0.10117%0.173CC..G310 helixtrans-49.4-34.1-179.6172.7-102000113V98 S103 F104 S105 W131 P462 R463V98-F101 WeakPolarHBondContact O-CB 3.39Å; F101-S103 PolarHBondContact O-N 2.97Å; F101-F104 CarbonylContact O-C 3.04Å; F101-F104 PolarHBondContact O-N 2.9Å; F101-S105 WeakPolarHBondContact O-CA 3.48Å; F101-S105 WeakPolarHBondContact O-CB 3.31Å; F101-S105 PolarHBondContact O-N 3.29Å; F101-W131 HydrophobicContact CE1-CH2 4.07Å; F101-W131 AromaticContact CE1-CZ3 3.91Å; F101-W131 HydrophobicContact CE1-CZ3 3.91Å; F101-W131 HydrophobicContact CE2-CH2 4.37Å; F101-W131 HydrophobicContact CZ-CE3 4.49Å; F101-W131 AromaticContact CZ-CH2 3.45Å; F101-W131 HydrophobicContact CZ-CH2 3.45Å; F101-W131 VanDerWaalsContact CZ-CH2 3.45Å; F101-W131 HydrophobicContact CZ-CZ2 4.37Å; F101-W131 AromaticContact CZ-CZ3 3.53Å; F101-W131 HydrophobicContact CZ-CZ3 3.53Å; F101-P462 HydrophobicContact CB-CG 4.2Å; F101-P462 HydrophobicContact CD1-CB 3.91Å; F101-P462 HydrophobicContact CD1-CG 3.73Å; F101-P462 HydrophobicContact CD2-CB 4.19Å; F101-P462 HydrophobicContact CD2-CG 4.1Å; F101-P462 HydrophobicContact CE1-CB 3.79Å; F101-P462 HydrophobicContact CE1-CG 4.16Å; F101-P462 HydrophobicContact CE2-CB 4.08Å; F101-P462 HydrophobicContact CE2-CG 4.49Å; F101-P462 HydrophobicContact CG-CB 4.12Å; F101-P462 HydrophobicContact CG-CG 3.71Å; F101-P462 HydrophobicContact CZ-CB 3.89Å; F101-R463 HydrophobicContact CE2-CB 3.73Å; F101-R463 HydrophobicContact CZ-CB 4.24Å
102V95.2Very high95.9Very high94 Ų9431.9 Ų31.957%0.5716%0.156SC*.G310 helixtrans-58.8-36.1178.1-175.90000111.9D100 F104 I395D100-V102 PolarHBondContact O-N 2.71Å; V102-F104 VanDerWaalsContact C-N 3.31Å; V102-I395 HydrophobicContact CB-CD1 4.05Å; V102-I395 HydrophobicContact CB-CG1 4.3Å; V102-I395 HydrophobicContact CG1-CD1 3.73Å; V102-I395 HydrophobicContact CG1-CG1 3.64Å
103S96Very high95.6Very high6 Ų633.6 Ų33.64%0.04217%0.174CC..G310 helixtrans-82.5-8.2176.7-65.70000113.5D100 F101 C392 T393D100-S103 PolarHBondContact O-N 2.95Å; F101-S103 PolarHBondContact O-N 2.97Å; S103-C392 CarbonylContact O-C 3.52Å; S103-C392 WeakPolarHBondContact O-CA 3.35Å; S103-T393 WeakPolarHBondContact CA-O 3.17Å; S103-T393 CarbonylContact O-C 3.55Å; S103-T393 PolarHBondContact O-N 2.98Å
104F96.9Very high95Very high0 Ų044.1 Ų44.10%021%0.214CC..G310 helixtrans-133.932.2-177.7-62.4-79000110.9V96 D100 F101 V102 N106 R390 C392 Y401 V417V96-F104 HydrophobicContact CB-CD2 4.36Å; V96-F104 HydrophobicContact CB-CG 4.47Å; V96-F104 HydrophobicContact CG1-CB 4.16Å; V96-F104 HydrophobicContact CG1-CD1 4.01Å; V96-F104 HydrophobicContact CG1-CD2 4.27Å; V96-F104 HydrophobicContact CG1-CE1 4.5Å; V96-F104 HydrophobicContact CG1-CG 3.89Å; V96-F104 HydrophobicContact CG2-CD2 4.21Å; V96-F104 HydrophobicContact CG2-CE1 4.27Å; V96-F104 HydrophobicContact CG2-CE2 3.95Å; V96-F104 HydrophobicContact CG2-CG 4.5Å; V96-F104 HydrophobicContact CG2-CZ 3.98Å; V96-F104 WeakPolarHBondContact O-CB 3.31Å; D100-F104 HydrophobicContact CB-CD2 4.47Å; D100-F104 HydrophobicContact CB-CE2 4.49Å; D100-F104 WeakPolarHBondContact O-CD2 3.48Å; D100-F104 PolarHBondContact O-N 3.28Å; F101-F104 CarbonylContact O-C 3.04Å; F101-F104 PolarHBondContact O-N 2.9Å; V102-F104 VanDerWaalsContact C-N 3.31Å; F104-N106 VanDerWaalsContact C-N 3.28Å; F104-N106 PolarHBondContact O-N 2.87Å; F104-R390 HydrophobicContact CB-CB 4.1Å; F104-R390 HydrophobicContact CB-CG 4.27Å; F104-R390 HydrophobicContact CD1-CB 4.33Å; F104-R390 WeakPolarHBondContact O-CD 3.46Å; F104-C392 HydrophobicContact CD1-CB 4.11Å; F104-C392 HydrophobicContact CE1-CB 3.65Å; F104-Y401 HydrophobicContact CE2-CD1 4.01Å; F104-Y401 HydrophobicContact CE2-CD2 4.19Å; F104-Y401 AromaticContact CE2-CE1 3.69Å; F104-Y401 HydrophobicContact CE2-CE1 3.69Å; F104-Y401 AromaticContact CE2-CE2 3.86Å; F104-Y401 HydrophobicContact CE2-CE2 3.86Å; F104-Y401 HydrophobicContact CE2-CG 4.26Å; F104-Y401 AromaticContact CE2-CZ 3.6Å; F104-Y401 AromaticContact CZ-CD1 3.66Å; F104-Y401 HydrophobicContact CZ-CD1 3.66Å; F104-Y401 HydrophobicContact CZ-CD2 4.35Å; F104-Y401 AromaticContact CZ-CE1 3.75Å; F104-Y401 HydrophobicContact CZ-CE1 3.75Å; F104-Y401 HydrophobicContact CZ-CE2 4.41Å; F104-Y401 AromaticContact CZ-CG 3.98Å; F104-Y401 HydrophobicContact CZ-CG 3.98Å; F104-V417 HydrophobicContact CE1-CG2 4.07Å
105S95.5Very high94.5Very high10 Ų1041 Ų417%0.0721%0.207CC..  trans-74.4-24.4-167.561.40000112.5F101 Q128 R463F101-S105 WeakPolarHBondContact O-CA 3.48Å; F101-S105 WeakPolarHBondContact O-CB 3.31Å; F101-S105 PolarHBondContact O-N 3.29Å; S105-Q128 VanDerWaalsContact OG-CG 3.31Å; S105-Q128 WeakPolarHBondContact OG-CG 3.22Å; S105-R463 WeakPolarHBondContact O-CD 3.5Å; S105-R463 PolarHBondContact O-NH1 3.19Å
106N96.6Very high94.3Very high20 Ų2040.8 Ų40.811%0.10721%0.206CC..BIsolated β-bridgetrans-95.2148.9-177.9-70.7-41.2000112F104 K127 Q128 R390 E391F104-N106 VanDerWaalsContact C-N 3.28Å; F104-N106 PolarHBondContact O-N 2.87Å; N106-K127 HydrophobicContact CB-CD 3.89Å; N106-K127 WeakPolarHBondContact OD1-CA 3.41Å; N106-Q128 PolarHBondContact OD1-N 3.27Å; N106-R390 CarbonylContact O-C 3.52Å; N106-R390 WeakPolarHBondContact O-CA 3.31Å; N106-E391 HydrophobicContact CB-CB 4.33Å; N106-E391 PolarHBondContact O-N 3.29Å
107R96.3Very high94.1Very high68 Ų6843.7 Ų43.726%0.25722%0.219SC..  trans-74.8163161.1-71.7-172.2-174175.6-1.9109.9F124 K127 E389R107-F124 WeakPolarHBondContact CD-O 3.5Å; R107-F124 PolarHBondContact NH1-O 3.42Å; R107-K127 PolarHBondContact O-NZ 2.73Å; R107-E389 HydrophobicContact CB-CG 4.27Å; R107-E389 WeakPolarHBondContact CB-OE1 3.36Å; R107-E389 HydrophobicContact CG-CG 4.38Å
108F95.6Very high93.9Very high11 Ų1143.7 Ų43.75%0.04822%0.219CC..SBendtrans-78.1-39178.9176.7-113.7000112L79 Q82 K127 F238 P241 E389 E391 P416L79-F108 HydrophobicContact CD1-CD1 4.4Å; L79-F108 HydrophobicContact CD1-CE1 3.88Å; Q82-F108 HydrophobicContact CG-CZ 4.28Å; F108-K127 PolarHBondContact O-NZ 2.76Å; F108-F238 VanDerWaalsContact CD1-O 3.31Å; F108-F238 WeakPolarHBondContact CD1-O 3.45Å; F108-F238 WeakPolarHBondContact CE1-O 3.14Å; F108-P241 HydrophobicContact CD1-CG 4.05Å; F108-P241 HydrophobicContact CD2-CG 4.25Å; F108-P241 VanDerWaalsContact CE1-CD 3.48Å; F108-P241 HydrophobicContact CE1-CG 3.52Å; F108-P241 HydrophobicContact CE2-CG 3.74Å; F108-P241 HydrophobicContact CG-CG 4.39Å; F108-P241 HydrophobicContact CZ-CG 3.35Å; F108-E389 PolarHBondContact N-OE1 3.43Å; F108-E389 VanDerWaalsContact N-OE1 3.1Å; F108-E391 HydrophobicContact CD2-CG 4.45Å; F108-P416 HydrophobicContact CB-CB 3.93Å; F108-P416 HydrophobicContact CD1-CB 3.95Å; F108-P416 HydrophobicContact CD1-CG 4.09Å; F108-P416 HydrophobicContact CD2-CB 3.7Å; F108-P416 HydrophobicContact CD2-CG 3.72Å; F108-P416 HydrophobicContact CE1-CB 4.38Å; F108-P416 HydrophobicContact CE1-CG 4Å; F108-P416 HydrophobicContact CE2-CB 4.16Å; F108-P416 HydrophobicContact CE2-CG 3.63Å; F108-P416 HydrophobicContact CG-CB 3.59Å; F108-P416 HydrophobicContact CG-CG 3.96Å; F108-P416 HydrophobicContact CZ-CB 4.47Å; F108-P416 HydrophobicContact CZ-CG 3.78Å
109A95Very high93.7Very high0 Ų040.9 Ų40.90%020%0.202CC..  trans-54152.7178.400000113.4L125 K127 I237 F238 E389A109-L125 HydrophobicContact CB-CD2 3.61Å; A109-K127 WeakPolarHBondContact O-CE 3.4Å; A109-K127 PolarHBondContact O-NZ 3Å; A109-I237 WeakPolarHBondContact CA-O 3.31Å; A109-I237 HydrophobicContact CB-CG2 4.25Å; A109-F238 HydrophobicContact CB-CD1 3.53Å; A109-F238 HydrophobicContact CB-CE1 3.84Å; A109-F238 HydrophobicContact CB-CG 4.31Å; A109-E389 VanDerWaalsContact CB-OE1 3.28Å; A109-E389 WeakPolarHBondContact CB-OE1 3.34Å; A109-E389 PolarHBondContact N-OE1 2.87Å
110K94.4Very high93.6Very high84 Ų8437.2 Ų37.237%0.36519%0.188SC..  trans-146.4131.7-176.6-176.5179.7175.3-176.20111.6I237 P241 V244K110-I237 PolarHBondContact N-O 3.03Å; K110-P241 HydrophobicContact CB-CB 3.56Å; K110-V244 HydrophobicContact CB-CG2 4.47Å; K110-V244 HydrophobicContact CG-CG1 4.46Å; K110-V244 VanDerWaalsContact O-CG2 3.3Å; K110-V244 WeakPolarHBondContact O-CG2 3.49Å
111C93.6Very high93.6Very high7 Ų734.5 Ų34.55%0.04717%0.174CC..  trans-92.8157.5166.7-760000111.9G113 A120 L125 L251C111-G113 PolarHBondContact O-N 2.92Å; C111-A120 HydrophobicContact CB-CB 3.98Å; C111-L125 WeakPolarHBondContact SG-CD1 3.34Å; C111-L251 VanDerWaalsContact SG-CB 3.55Å
112D91.5Very high93.6Very high10 Ų1033.4 Ų33.45%0.05317%0.169CC..  trans-77.8118.9174.4-171.867.9000110.9R114 S115 D116 V244D112-R114 PolarHBondContact O-N 3Å; D112-R114 VanDerWaalsContact O-N 3.16Å; D112-R114 WeakPolarHBondContact OD2-CA 3.47Å; D112-R114 WeakPolarHBondContact OD2-CB 3.36Å; D112-R114 PolarHBondContact OD2-N 3.32Å; D112-S115 PolarHBondContact OD2-N 3.36Å; D112-S115 PolarHBondContact OD2-OG 3.5Å; D112-S115 VanDerWaalsContact OD2-OG 3.06Å; D112-D116 CarbonylContact O-C 3.13Å; D112-D116 WeakPolarHBondContact O-CA 3.49Å; D112-D116 PolarHBondContact O-N 3.23Å; D112-D116 VanDerWaalsContact O-N 3.07Å; D112-D116 VanDerWaalsContact O-O 3.06Å; D112-V244 HydrophobicContact CB-CG1 3.67Å; D112-V244 VanDerWaalsContact N-CG1 3.33Å
113G88.8Confident93.5Very high37 Ų3729.5 Ų29.538%0.38115%0.145SC..THydrogen-bonded Turntrans-72.1-4.2-177.600000115.1C111 K117C111-G113 PolarHBondContact O-N 2.92Å; G113-K117 WeakPolarHBondContact O-CD 3.44Å
114R86.4Confident93.2Very high221 Ų22131.7 Ų31.783%0.83415%0.154SC*.THydrogen-bonded Turntrans-107.3-51.1-179.7-62.8-177.9176-174-1.6111.9D112D112-R114 PolarHBondContact O-N 3Å; D112-R114 VanDerWaalsContact O-N 3.16Å; D112-R114 WeakPolarHBondContact OD2-CA 3.47Å; D112-R114 WeakPolarHBondContact OD2-CB 3.36Å; D112-R114 PolarHBondContact OD2-N 3.32Å
115S87.7Confident93.1Very high35 Ų3532 Ų3225%0.24516%0.156CC..THydrogen-bonded Turntrans-91.7-16.9-177.362.90000114.3D112 R248D112-S115 PolarHBondContact OD2-N 3.36Å; D112-S115 PolarHBondContact OD2-OG 3.5Å; D112-S115 VanDerWaalsContact OD2-OG 3.06Å; S115-R248 WeakPolarHBondContact OG-CB 3.43Å
116D91.9Very high93.1Very high7 Ų731.6 Ų31.64%0.03715%0.153CC..  trans-137.659.2-179.4-178.527.2000110.5D112 M118 G119 A120 K250 L251D112-D116 CarbonylContact O-C 3.13Å; D112-D116 WeakPolarHBondContact O-CA 3.49Å; D112-D116 PolarHBondContact O-N 3.23Å; D112-D116 VanDerWaalsContact O-N 3.07Å; D112-D116 VanDerWaalsContact O-O 3.06Å; D116-M118 PolarHBondContact O-N 2.93Å; D116-G119 PolarHBondContact O-N 3.14Å; D116-G119 WeakPolarHBondContact OD1-CA 3.31Å; D116-G119 PolarHBondContact OD1-N 3.17Å; D116-A120 WeakPolarHBondContact O-CB 3.27Å; D116-A120 PolarHBondContact O-N 2.74Å; D116-K250 HydrophobicContact CB-CB 4.36Å; D116-K250 HydrophobicContact CB-CG 4.28Å; D116-L251 VanDerWaalsContact OD2-CB 3.3Å; D116-L251 WeakPolarHBondContact OD2-CB 3.45Å; D116-L251 PolarHBondContact OD2-N 3.23Å
117K92.1Very high93Very high61 Ų6132.9 Ų32.927%0.26516%0.157SC..Hα-helixtrans-62.5-34.9179.4-166.375.1170.3-171.80111.4G113 A120 L121 H304G113-K117 WeakPolarHBondContact O-CD 3.44Å; K117-A120 PolarHBondContact O-N 2.89Å; K117-L121 HydrophobicContact CD-CD1 4.31Å; K117-L121 HydrophobicContact CD-CG 4.3Å; K117-L121 HydrophobicContact CG-CD1 3.84Å; K117-L121 HydrophobicContact CG-CG 4.12Å; K117-L121 WeakPolarHBondContact O-CB 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.06Å; K117-L121 PolarHBondContact O-N 3Å; K117-H304 VanDerWaalsContact CG-CE1 3.42Å; K117-H304 WeakPolarHBondContact CG-CE1 3.38Å
118M93.6Very high92.9Very high1 Ų132.5 Ų32.51%0.00516%0.158CC..Hα-helixtrans-57.1-49.7172.9-171.5-179-72.700111.5D116 L121 S122 F252 A257 R261 D306 A309 A310 A313D116-M118 PolarHBondContact O-N 2.93Å; M118-L121 PolarHBondContact O-N 3.28Å; M118-S122 PolarHBondContact O-N 3.4Å; M118-F252 HydrophobicContact CB-CD2 4.21Å; M118-F252 HydrophobicContact CG-CD2 3.72Å; M118-F252 HydrophobicContact CG-CE2 4.12Å; M118-F252 HydrophobicContact CG-CG 4.42Å; M118-F252 HydrophobicContact SD-CB 4.1Å; M118-F252 HydrophobicContact SD-CD2 3.93Å; M118-F252 HydrophobicContact SD-CG 4.03Å; M118-A257 HydrophobicContact CE-CB 3.69Å; M118-A257 WeakPolarHBondContact CE-O 3.45Å; M118-A257 HydrophobicContact SD-CB 3.79Å; M118-R261 HydrophobicContact CE-CG 4.11Å; M118-D306 HydrophobicContact CB-CB 4.1Å; M118-A309 HydrophobicContact CE-CB 3.59Å; M118-A310 HydrophobicContact CG-CB 3.91Å; M118-A310 VanDerWaalsContact O-CB 3.22Å; M118-A310 WeakPolarHBondContact O-CB 3.43Å; M118-A313 HydrophobicContact SD-CB 4.26Å
119G93.8Very high92.8Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-63.2-42.6174.600000113.2D116 L121 S122D116-G119 PolarHBondContact O-N 3.14Å; D116-G119 WeakPolarHBondContact OD1-CA 3.31Å; D116-G119 PolarHBondContact OD1-N 3.17Å; G119-L121 VanDerWaalsContact C-N 3.31Å; G119-L121 PolarHBondContact O-N 3.38Å; G119-S122 WeakPolarHBondContact O-CB 3.21Å; G119-S122 PolarHBondContact O-N 2.96Å; G119-S122 PolarHBondContact O-OG 3.3Å
120A94.6Very high92.8Very high22 Ų2239.7 Ų39.718%0.18220%0.2CC..Hα-helixtrans-66.7-28.7-18000000114C111 D116 K117 A126C111-A120 HydrophobicContact CB-CB 3.98Å; D116-A120 WeakPolarHBondContact O-CB 3.27Å; D116-A120 PolarHBondContact O-N 2.74Å; K117-A120 PolarHBondContact O-N 2.89Å; A120-A126 WeakPolarHBondContact O-CA 3.46Å
121L94.9Very high92.8Very high7 Ų736.2 Ų36.24%0.03719%0.185CC..Hα-helixtrans-95.7-2.7175.6-64.8-178.8000113.4K117 M118 G119 I134 F301 H304 F307 A310 Q311K117-L121 HydrophobicContact CD-CD1 4.31Å; K117-L121 HydrophobicContact CD-CG 4.3Å; K117-L121 HydrophobicContact CG-CD1 3.84Å; K117-L121 HydrophobicContact CG-CG 4.12Å; K117-L121 WeakPolarHBondContact O-CB 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.06Å; K117-L121 PolarHBondContact O-N 3Å; M118-L121 PolarHBondContact O-N 3.28Å; G119-L121 VanDerWaalsContact C-N 3.31Å; G119-L121 PolarHBondContact O-N 3.38Å; L121-I134 WeakPolarHBondContact O-CD1 3.48Å; L121-F301 HydrophobicContact CD2-CB 3.99Å; L121-F301 HydrophobicContact CD2-CD2 3.95Å; L121-F301 HydrophobicContact CD2-CG 4.18Å; L121-H304 HydrophobicContact CD1-CB 4.23Å; L121-F307 HydrophobicContact CD1-CB 4.22Å; L121-F307 HydrophobicContact CD1-CD2 4.43Å; L121-A310 HydrophobicContact CB-CB 4.03Å; L121-Q311 PolarHBondContact O-NE2 3.32Å
122S94.2Very high93Very high0 Ų044 Ų440%021%0.213CC..SBendtrans-61.2140.2172.172.10000110.2M118 G119 F124 L125 A126 S314M118-S122 PolarHBondContact O-N 3.4Å; G119-S122 WeakPolarHBondContact O-CB 3.21Å; G119-S122 PolarHBondContact O-N 2.96Å; G119-S122 PolarHBondContact O-OG 3.3Å; S122-F124 PolarHBondContact O-N 2.82Å; S122-L125 PolarHBondContact O-N 2.9Å; S122-L125 PolarHBondContact OG-N 3.23Å; S122-A126 VanDerWaalsContact O-CB 3.25Å; S122-A126 WeakPolarHBondContact O-CB 3.48Å; S122-A126 PolarHBondContact O-N 2.91Å; S122-S314 WeakPolarHBondContact CB-OG 3.5Å
123L93.8Very high93.1Very high13 Ų1346 Ų467%0.06822%0.222CC..THydrogen-bonded Turntrans-56.7-26.8-178.8179.364.4000112.4I134 R135 L138 S314 I466L123-I134 HydrophobicContact CB-CG2 4.4Å; L123-I134 HydrophobicContact CD1-CB 4.41Å; L123-I134 HydrophobicContact CD1-CG2 3.91Å; L123-R135 HydrophobicContact CD1-CB 3.88Å; L123-L138 HydrophobicContact CD2-CD1 4.09Å; L123-S314 PolarHBondContact N-OG 3.38Å; L123-I466 HydrophobicContact CD2-CB 4.26Å; L123-I466 HydrophobicContact CD2-CD1 4.14Å; L123-I466 HydrophobicContact CD2-CG2 3.66Å
124F90.6Very high93.4Very high51 Ų5144.3 Ų44.322%0.22420%0.204CC..THydrogen-bonded Turntrans-67.7-49.3179.5-53.6-53.7000112.9R107 S122 S314 V317 A318 R463R107-F124 WeakPolarHBondContact CD-O 3.5Å; R107-F124 PolarHBondContact NH1-O 3.42Å; S122-F124 PolarHBondContact O-N 2.82Å; F124-S314 WeakPolarHBondContact CE2-O 3.39Å; F124-S314 WeakPolarHBondContact CZ-O 3.37Å; F124-V317 HydrophobicContact CE2-CB 4.42Å; F124-A318 HydrophobicContact CE1-CB 4.09Å; F124-A318 HydrophobicContact CZ-CB 3.58Å; F124-R463 PolarHBondContact O-NH2 3.45Å
125L93.6Very high93.8Very high8 Ų835.7 Ų35.74%0.04217%0.172CC..THydrogen-bonded Turntrans-110.2-6.8-168.8-64.6-170.2000114.4A109 C111 S122 K127 I237 L251A109-L125 HydrophobicContact CB-CD2 3.61Å; C111-L125 WeakPolarHBondContact SG-CD1 3.34Å; S122-L125 PolarHBondContact O-N 2.9Å; S122-L125 PolarHBondContact OG-N 3.23Å; L125-K127 PolarHBondContact O-N 3.36Å; L125-I237 HydrophobicContact CD1-CG2 3.75Å; L125-L251 HydrophobicContact CD1-CD1 4.03Å; L125-L251 HydrophobicContact CD1-CD2 3.84Å; L125-L251 HydrophobicContact CD1-CG 4.44Å; L125-L251 HydrophobicContact CG-CD2 4.42Å
126A95.4Very high94.2Very high1 Ų138.4 Ų38.41%0.00819%0.187CC..PPolyproline II helixtrans-50.4139.5167.300000110.8A120 S122 W131 I134 R463A120-A126 WeakPolarHBondContact O-CA 3.46Å; S122-A126 VanDerWaalsContact O-CB 3.25Å; S122-A126 WeakPolarHBondContact O-CB 3.48Å; S122-A126 PolarHBondContact O-N 2.91Å; A126-W131 HydrophobicContact CB-CB 3.99Å; A126-I134 HydrophobicContact CB-CD1 4.1Å; A126-R463 PolarHBondContact O-NH2 3.06Å
127K94.8Very high94.2Very high47 Ų4739.8 Ų39.820%0.20419%0.192CC..PPolyproline II helixtrans-102.8167.4177.7-61.1-75.6-177.41590109N106 R107 F108 A109 L125 E130 W131 E391N106-K127 HydrophobicContact CB-CD 3.89Å; N106-K127 WeakPolarHBondContact OD1-CA 3.41Å; R107-K127 PolarHBondContact O-NZ 2.73Å; F108-K127 PolarHBondContact O-NZ 2.76Å; A109-K127 WeakPolarHBondContact O-CE 3.4Å; A109-K127 PolarHBondContact O-NZ 3Å; L125-K127 PolarHBondContact O-N 3.36Å; K127-E130 PolarHBondContact O-N 2.94Å; K127-E130 VanDerWaalsContact O-N 3.13Å; K127-W131 WeakPolarHBondContact O-CB 3.37Å; K127-W131 PolarHBondContact O-N 3.38Å; K127-E391 IonicContact NZ-OE2 3.09Å; K127-E391 PolarHBondContact NZ-OE2 2.85Å; K127-E391 VanDerWaalsContact NZ-OE2 3.15Å
128Q93.9Very high94.2Very high60 Ų6036.9 Ų36.928%0.2818%0.179SC..THydrogen-bonded Turntrans-65.3144.2169.8-67.4-71.518.300111S105 N106 R132S105-Q128 VanDerWaalsContact OG-CG 3.31Å; S105-Q128 WeakPolarHBondContact OG-CG 3.22Å; N106-Q128 PolarHBondContact OD1-N 3.27Å; Q128-R132 VanDerWaalsContact OE1-CB 3.22Å
129P93.9Very high94.2Very high94 Ų9439.1 Ų39.161%0.6120%0.198SC*.THydrogen-bonded Turncis-82.7-16.71.533.2-36.6000115.4W131 R132 E133P129-W131 VanDerWaalsContact C-N 3.31Å; P129-W131 PolarHBondContact O-N 3.18Å; P129-R132 PolarHBondContact O-N 3.48Å; P129-E133 PolarHBondContact O-N 3.39Å
130E94.5Very high94Very high68 Ų6843.1 Ų43.132%0.31822%0.224SC..Hα-helixtrans-58.2-41.3-170.7-6386.916400112.2K127 R132 E133 I134 F301K127-E130 PolarHBondContact O-N 2.94Å; K127-E130 VanDerWaalsContact O-N 3.13Å; E130-R132 VanDerWaalsContact C-N 3.28Å; E130-R132 PolarHBondContact O-N 3.14Å; E130-E133 PolarHBondContact O-N 3.49Å; E130-E133 VanDerWaalsContact O-N 3.16Å; E130-I134 HydrophobicContact CB-CD1 4.44Å; E130-I134 WeakPolarHBondContact O-CG1 3.4Å; E130-I134 PolarHBondContact O-N 3.23Å; E130-F301 HydrophobicContact CB-CD1 4.28Å; E130-F301 HydrophobicContact CB-CE1 4.03Å; E130-F301 HydrophobicContact CB-CZ 4.24Å; E130-F301 HydrophobicContact CG-CD1 3.56Å; E130-F301 HydrophobicContact CG-CE1 3.72Å; E130-F301 HydrophobicContact CG-CG 4.1Å; E130-F301 HydrophobicContact CG-CZ 4.39Å
131W96.2Very high93.7Very high11 Ų1142.3 Ų42.34%0.04222%0.217CC..Hα-helixtrans-54.3-43.3177.4170.380.3000112.9F101 A126 K127 P129 E133 R135 P462 R463F101-W131 HydrophobicContact CE1-CH2 4.07Å; F101-W131 AromaticContact CE1-CZ3 3.91Å; F101-W131 HydrophobicContact CE1-CZ3 3.91Å; F101-W131 HydrophobicContact CE2-CH2 4.37Å; F101-W131 HydrophobicContact CZ-CE3 4.49Å; F101-W131 AromaticContact CZ-CH2 3.45Å; F101-W131 HydrophobicContact CZ-CH2 3.45Å; F101-W131 VanDerWaalsContact CZ-CH2 3.45Å; F101-W131 HydrophobicContact CZ-CZ2 4.37Å; F101-W131 AromaticContact CZ-CZ3 3.53Å; F101-W131 HydrophobicContact CZ-CZ3 3.53Å; A126-W131 HydrophobicContact CB-CB 3.99Å; K127-W131 WeakPolarHBondContact O-CB 3.37Å; K127-W131 PolarHBondContact O-N 3.38Å; P129-W131 VanDerWaalsContact C-N 3.31Å; P129-W131 PolarHBondContact O-N 3.18Å; W131-E133 VanDerWaalsContact C-N 3.33Å; W131-R135 WeakPolarHBondContact O-CB 3.35Å; W131-R135 PolarHBondContact O-N 2.67Å; W131-P462 HydrophobicContact CH2-CB 4.33Å; W131-P462 WeakPolarHBondContact CH2-O 3.47Å; W131-P462 WeakPolarHBondContact CZ2-O 3.47Å; W131-R463 HydrophobicContact CH2-CB 4.09Å; W131-R463 HydrophobicContact CH2-CG 4.39Å; W131-R463 HydrophobicContact CZ2-CB 3.57Å; W131-R463 HydrophobicContact CZ2-CG 3.51Å
132R96Very high93.6Very high170 Ų17043 Ų4364%0.64222%0.22SC*.Hα-helixtrans-66.5-42-178.3177.3178.2-177.4176.11110.2Q128 P129 E130 T136Q128-R132 VanDerWaalsContact OE1-CB 3.22Å; P129-R132 PolarHBondContact O-N 3.48Å; E130-R132 VanDerWaalsContact C-N 3.28Å; E130-R132 PolarHBondContact O-N 3.14Å; R132-T136 WeakPolarHBondContact O-CB 3.4Å; R132-T136 PolarHBondContact O-N 3.29Å; R132-T136 PolarHBondContact O-OG1 3.42Å
133E94.8Very high93.3Very high53 Ų5345.2 Ų45.225%0.24824%0.238CC..Hα-helixtrans-66.4-50.2179.2-175173.4173.800111.7P129 E130 W131 R135 T136 R137 H300 F301P129-E133 PolarHBondContact O-N 3.39Å; E130-E133 PolarHBondContact O-N 3.49Å; E130-E133 VanDerWaalsContact O-N 3.16Å; W131-E133 VanDerWaalsContact C-N 3.33Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 2.88Å; E133-T136 PolarHBondContact O-N 3.14Å; E133-T136 VanDerWaalsContact O-N 3.16Å; E133-R137 WeakPolarHBondContact O-CG 3.27Å; E133-R137 PolarHBondContact O-N 2.85Å; E133-R137 IonicContact OE1-CZ 2.66Å; E133-R137 VanDerWaalsContact OE1-CZ 3.27Å; E133-R137 IonicContact OE1-NE 2.82Å; E133-R137 PolarHBondContact OE1-NE 3.2Å; E133-R137 VanDerWaalsContact OE1-NE 3.12Å; E133-R137 IonicContact OE1-NH2 3.29Å; E133-R137 PolarHBondContact OE1-NH2 3.44Å; E133-H300 IonicContact OE1-CE1 3.18Å; E133-H300 PolarHBondContact OE1-CE1 2.79Å; E133-H300 IonicContact OE1-NE2 3.36Å; E133-H300 PolarHBondContact OE1-NE2 3.46Å; E133-H300 IonicContact OE2-CE1 3.55Å; E133-H300 IonicContact OE2-NE2 3.15Å; E133-H300 PolarHBondContact OE2-NE2 3.44Å; E133-F301 HydrophobicContact CB-CZ 4.18Å; E133-F301 HydrophobicContact CG-CZ 4.11Å; E133-F301 VanDerWaalsContact OE2-CE1 3.3Å; E133-F301 WeakPolarHBondContact OE2-CE1 3.41Å
134I94.8Very high93Very high0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-55.7-48.2176.3-63.4172.1000110L121 L123 A126 E130 T136 R137 L138 F301 F307L121-I134 WeakPolarHBondContact O-CD1 3.48Å; L123-I134 HydrophobicContact CB-CG2 4.4Å; L123-I134 HydrophobicContact CD1-CB 4.41Å; L123-I134 HydrophobicContact CD1-CG2 3.91Å; A126-I134 HydrophobicContact CB-CD1 4.1Å; E130-I134 HydrophobicContact CB-CD1 4.44Å; E130-I134 WeakPolarHBondContact O-CG1 3.4Å; E130-I134 PolarHBondContact O-N 3.23Å; I134-T136 VanDerWaalsContact C-N 3.35Å; I134-T136 PolarHBondContact O-N 3.42Å; I134-R137 PolarHBondContact O-N 2.95Å; I134-L138 HydrophobicContact CG2-CD1 3.85Å; I134-L138 HydrophobicContact CG2-CG 4.39Å; I134-L138 WeakPolarHBondContact O-CB 3.43Å; I134-L138 WeakPolarHBondContact O-CG 3.33Å; I134-L138 PolarHBondContact O-N 3.46Å; I134-F301 HydrophobicContact CD1-CE2 3.96Å; I134-F301 HydrophobicContact CG1-CE2 3.64Å; I134-F301 HydrophobicContact CG1-CZ 3.98Å; I134-F307 HydrophobicContact CD1-CE2 4.19Å; I134-F307 HydrophobicContact CG1-CE2 3.93Å
135R95.5Very high92.9Very high41 Ų4147.8 Ų47.816%0.15527%0.274CS..Hα-helixtrans-62.2-41.9179.6-175.4165.5-180113.1-6.7112.6L123 W131 E133 L138 A139 P462 N464 I466L123-R135 HydrophobicContact CD1-CB 3.88Å; W131-R135 WeakPolarHBondContact O-CB 3.35Å; W131-R135 PolarHBondContact O-N 2.67Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 2.88Å; R135-L138 PolarHBondContact O-N 3.48Å; R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 3.12Å; R135-P462 WeakPolarHBondContact CD-O 3.4Å; R135-P462 PolarHBondContact NE-O 2.63Å; R135-P462 PolarHBondContact NH2-O 3.49Å; R135-N464 PolarHBondContact NH1-O 3.37Å; R135-N464 PolarHBondContact NH2-O 3.07Å; R135-N464 PolarHBondContact NH2-OD1 2.85Å; R135-I466 HydrophobicContact CG-CD1 4.3Å
136T94.6Very high92.6Very high91 Ų9149 Ų4956%0.55828%0.28SS*.Hα-helixtrans-64.8-44.9-179.7-57.90000110.4R132 E133 I134 L138R132-T136 WeakPolarHBondContact O-CB 3.4Å; R132-T136 PolarHBondContact O-N 3.29Å; R132-T136 PolarHBondContact O-OG1 3.42Å; E133-T136 PolarHBondContact O-N 3.14Å; E133-T136 VanDerWaalsContact O-N 3.16Å; I134-T136 VanDerWaalsContact C-N 3.35Å; I134-T136 PolarHBondContact O-N 3.42Å; T136-L138 PolarHBondContact O-N 3.44Å
137R92.3Very high92.4Very high36 Ų3649.1 Ų49.114%0.13628%0.28CS..Hα-helixtrans-64.4-40.2177.7-65.1171.6179.1-120.49.3111.6E133 I134 P140 M284 L288 E291E133-R137 WeakPolarHBondContact O-CG 3.27Å; E133-R137 PolarHBondContact O-N 2.85Å; E133-R137 IonicContact OE1-CZ 2.66Å; E133-R137 VanDerWaalsContact OE1-CZ 3.27Å; E133-R137 IonicContact OE1-NE 2.82Å; E133-R137 PolarHBondContact OE1-NE 3.2Å; E133-R137 VanDerWaalsContact OE1-NE 3.12Å; E133-R137 IonicContact OE1-NH2 3.29Å; E133-R137 PolarHBondContact OE1-NH2 3.44Å; I134-R137 PolarHBondContact O-N 2.95Å; R137-P140 VanDerWaalsContact O-CD 3.22Å; R137-P140 WeakPolarHBondContact O-CD 3.49Å; R137-M284 HydrophobicContact CB-CE 4.49Å; R137-M284 WeakPolarHBondContact O-CE 3.48Å; R137-L288 HydrophobicContact CB-CD2 3.48Å; R137-L288 VanDerWaalsContact CB-CD2 3.48Å; R137-L288 HydrophobicContact CG-CD2 4.2Å; R137-E291 IonicContact CZ-OE2 2.94Å; R137-E291 IonicContact NE-OE2 2.66Å; R137-E291 VanDerWaalsContact NH1-CB 3.28Å; R137-E291 IonicContact NH1-OE2 2.7Å; R137-E291 PolarHBondContact NH1-OE2 3.49Å
138L92.7Very high92.2Very high0 Ų052.2 Ų52.20%029%0.293CS..Hα-helixtrans-76.6-23.6-178.6-71.9-179.3000115L123 I134 R135 T136 A141 F142 M284 L288 Q311 F315 I466L123-L138 HydrophobicContact CD2-CD1 4.09Å; I134-L138 HydrophobicContact CG2-CD1 3.85Å; I134-L138 HydrophobicContact CG2-CG 4.39Å; I134-L138 WeakPolarHBondContact O-CB 3.43Å; I134-L138 WeakPolarHBondContact O-CG 3.33Å; I134-L138 PolarHBondContact O-N 3.46Å; R135-L138 PolarHBondContact O-N 3.48Å; T136-L138 PolarHBondContact O-N 3.44Å; L138-A141 WeakPolarHBondContact O-CB 3.16Å; L138-A141 PolarHBondContact O-N 3.01Å; L138-A141 VanDerWaalsContact O-N 3.15Å; L138-F142 HydrophobicContact CB-CE2 4.46Å; L138-F142 WeakPolarHBondContact O-CD2 3.4Å; L138-M284 HydrophobicContact CD2-CE 4.34Å; L138-M284 HydrophobicContact CD2-CG 3.71Å; L138-L288 HydrophobicContact CD2-CD1 3.85Å; L138-Q311 HydrophobicContact CD1-CG 4.42Å; L138-F315 HydrophobicContact CD1-CE1 4.3Å; L138-F315 HydrophobicContact CD1-CZ 4.35Å; L138-F315 HydrophobicContact CD2-CZ 3.88Å; L138-I466 HydrophobicContact CB-CD1 3.82Å
139A93Very high92Very high48 Ų4853.6 Ų53.640%0.39730%0.3SS..G310 helixtrans-53.6-40.5-173.600000115.2R135 A141 F142R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 3.12Å; A139-A141 VanDerWaalsContact C-N 3.26Å; A139-A141 PolarHBondContact O-N 3.19Å; A139-F142 PolarHBondContact O-N 2.82Å; A139-F142 VanDerWaalsContact O-N 3.12Å
140P90.7Very high91.9Very high84 Ų8449.1 Ų49.155%0.54527%0.271SS..G310 helixtrans-59.2-32.3178.7-25.236.3000114.2R137 F142 A143R137-P140 VanDerWaalsContact O-CD 3.22Å; R137-P140 WeakPolarHBondContact O-CD 3.49Å; P140-F142 PolarHBondContact O-N 3.14Å; P140-A143 WeakPolarHBondContact O-CB 3.31Å; P140-A143 PolarHBondContact O-N 3.41Å
141A88.5Confident91.9Very high5 Ų546.5 Ų46.54%0.04126%0.258CS..G310 helixtrans-66.7-19.9179.200000113.5L138 A139 L281 M284L138-A141 WeakPolarHBondContact O-CB 3.16Å; L138-A141 PolarHBondContact O-N 3.01Å; L138-A141 VanDerWaalsContact O-N 3.15Å; A139-A141 VanDerWaalsContact C-N 3.26Å; A139-A141 PolarHBondContact O-N 3.19Å; A141-L281 HydrophobicContact CB-CD2 3.84Å; A141-M284 HydrophobicContact CB-CB 3.91Å; A141-M284 HydrophobicContact CB-CG 3.75Å; A141-M284 HydrophobicContact CB-SD 3.81Å
142F91Very high91.7Very high23 Ų2348.5 Ų48.510%0.10127%0.274CS..G310 helixtrans-105.19.2-179.9-60.8-78.2000113.1L138 A139 P140 L281 F315 I466 I470L138-F142 HydrophobicContact CB-CE2 4.46Å; L138-F142 WeakPolarHBondContact O-CD2 3.4Å; A139-F142 PolarHBondContact O-N 2.82Å; A139-F142 VanDerWaalsContact O-N 3.12Å; P140-F142 PolarHBondContact O-N 3.14Å; F142-L281 HydrophobicContact CE1-CD1 4.5Å; F142-L281 HydrophobicContact CZ-CD1 4.48Å; F142-F315 AromaticContact CE2-CE1 3.99Å; F142-F315 HydrophobicContact CE2-CE1 3.99Å; F142-F315 HydrophobicContact CE2-CZ 4.46Å; F142-F315 HydrophobicContact CZ-CD1 4.01Å; F142-F315 AromaticContact CZ-CE1 3.58Å; F142-F315 HydrophobicContact CZ-CE1 3.58Å; F142-F315 HydrophobicContact CZ-CZ 4.22Å; F142-I466 HydrophobicContact CD2-CB 4.48Å; F142-I466 HydrophobicContact CD2-CD1 3.72Å; F142-I466 HydrophobicContact CD2-CG1 3.64Å; F142-I466 HydrophobicContact CD2-CG2 4.21Å; F142-I466 HydrophobicContact CE2-CD1 3.94Å; F142-I466 HydrophobicContact CE2-CG1 4.12Å; F142-I466 HydrophobicContact CE2-CG2 3.93Å; F142-I466 HydrophobicContact CG-CG1 4.21Å; F142-I466 HydrophobicContact CZ-CG2 4.2Å; F142-I470 HydrophobicContact CD1-CG2 3.92Å; F142-I470 HydrophobicContact CE1-CG2 3.95Å
143A89.7Confident91.6Very high46 Ų4640.9 Ų40.938%0.3825%0.246SC..SBendtrans-72.5151174.900000111.6P140 A145 K146 L147P140-A143 WeakPolarHBondContact O-CB 3.31Å; P140-A143 PolarHBondContact O-N 3.41Å; A143-A145 VanDerWaalsContact C-N 3.26Å; A143-A145 PolarHBondContact O-N 3.33Å; A143-A145 VanDerWaalsContact O-N 3.12Å; A143-K146 PolarHBondContact O-N 3.17Å; A143-L147 PolarHBondContact O-N 3.06Å
144G87.3Confident91.6Very high43 Ų4338.3 Ų38.344%0.44323%0.234SC..Hα-helixtrans-54.5-36.1-174.900000114.8K146 L147 K148G144-K146 PolarHBondContact O-N 3.07Å; G144-L147 PolarHBondContact O-N 3.41Å; G144-K148 PolarHBondContact O-N 3.06Å; G144-K148 VanDerWaalsContact O-N 3.07Å
145A87.7Confident91.6Very high74 Ų7438.7 Ų38.761%0.61224%0.236SC*.Hα-helixtrans-63.2-41.2176.700000112.6A143 K148 Q149A143-A145 VanDerWaalsContact C-N 3.26Å; A143-A145 PolarHBondContact O-N 3.33Å; A143-A145 VanDerWaalsContact O-N 3.12Å; A145-K148 PolarHBondContact O-N 2.93Å; A145-Q149 WeakPolarHBondContact O-CG 3.35Å; A145-Q149 PolarHBondContact O-N 3.34Å
146K88.3Confident91.5Very high35 Ų3540.7 Ų40.715%0.15225%0.247CC..Hα-helixtrans-70-37.7178.5-166.160.2174.1179.50111.3A143 G144 K148 Q149 M150 E283A143-K146 PolarHBondContact O-N 3.17Å; G144-K146 PolarHBondContact O-N 3.07Å; K146-K148 VanDerWaalsContact C-N 3.33Å; K146-K148 PolarHBondContact O-N 3.47Å; K146-Q149 WeakPolarHBondContact O-CB 3.37Å; K146-Q149 PolarHBondContact O-N 2.85Å; K146-Q149 VanDerWaalsContact O-N 3.14Å; K146-M150 HydrophobicContact CG-SD 4.21Å; K146-M150 WeakPolarHBondContact O-CG 3.19Å; K146-M150 PolarHBondContact O-N 3.45Å; K146-E283 IonicContact NZ-OE2 2.67Å; K146-E283 PolarHBondContact NZ-OE2 3.39Å
147L89.7Confident91.6Very high2 Ų236.4 Ų36.41%0.0122%0.22CC..Hα-helixtrans-61.1-41.3175.2-60.1177.4000112.5A143 G144 Q149 M150 F151 Q469 I470A143-L147 PolarHBondContact O-N 3.06Å; G144-L147 PolarHBondContact O-N 3.41Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 3.37Å; L147-M150 PolarHBondContact O-N 2.6Å; L147-F151 PolarHBondContact O-N 3.45Å; L147-Q469 HydrophobicContact CD1-CB 3.35Å; L147-Q469 HydrophobicContact CD1-CG 4.41Å; L147-I470 HydrophobicContact CD2-CB 3.59Å; L147-I470 HydrophobicContact CD2-CD1 3.95Å; L147-I470 HydrophobicContact CD2-CG1 3.81Å
148K90.9Very high91.8Very high113 Ų11334.7 Ų34.749%0.49121%0.214SC..Hα-helixtrans-62.7-36.2175.8-177169.1173.9166.30112G144 A145 K146 F151 Y362 E363G144-K148 PolarHBondContact O-N 3.06Å; G144-K148 VanDerWaalsContact O-N 3.07Å; A145-K148 PolarHBondContact O-N 2.93Å; K146-K148 VanDerWaalsContact C-N 3.33Å; K146-K148 PolarHBondContact O-N 3.47Å; K148-F151 WeakPolarHBondContact O-CB 3.35Å; K148-F151 PolarHBondContact O-N 2.99Å; K148-Y362 HydrophobicContact CG-CG 4.48Å; K148-E363 WeakPolarHBondContact CE-OE1 3.26Å; K148-E363 IonicContact NZ-OE1 2.92Å; K148-E363 PolarHBondContact NZ-OE1 2.84Å
149Q89.3Confident91.9Very high88 Ų8837.5 Ų37.541%0.41123%0.233SC..Hα-helixtrans-69.9-36.7174.4-65.6172.1-6.300112.3A145 K146 L147 F151 N279A145-Q149 WeakPolarHBondContact O-CG 3.35Å; A145-Q149 PolarHBondContact O-N 3.34Å; K146-Q149 WeakPolarHBondContact O-CB 3.37Å; K146-Q149 PolarHBondContact O-N 2.85Å; K146-Q149 VanDerWaalsContact O-N 3.14Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 3.37Å; Q149-F151 VanDerWaalsContact C-N 3.26Å; Q149-F151 PolarHBondContact O-N 3.04Å; Q149-N279 HydrophobicContact CB-CB 3.82Å; Q149-N279 PolarHBondContact OE1-OD1 3.29Å
150M92.2Very high92Very high0 Ų035.8 Ų35.80%022%0.217CC..Hα-helixtrans-71.9-19.1176.7-70.8171.680.200113.3K146 L147 S152 L153 M154 I200 N279 L281 I470K146-M150 HydrophobicContact CG-SD 4.21Å; K146-M150 WeakPolarHBondContact O-CG 3.19Å; K146-M150 PolarHBondContact O-N 3.45Å; L147-M150 PolarHBondContact O-N 2.6Å; M150-S152 VanDerWaalsContact C-N 3.27Å; M150-S152 PolarHBondContact O-N 2.9Å; M150-L153 WeakPolarHBondContact O-CB 3.48Å; M150-L153 PolarHBondContact O-N 3.14Å; M150-M154 WeakPolarHBondContact O-CG 3.28Å; M150-M154 PolarHBondContact O-N 3Å; M150-I200 HydrophobicContact CE-CB 3.53Å; M150-I200 HydrophobicContact CE-CD1 4.32Å; M150-I200 HydrophobicContact CE-CG1 4.15Å; M150-I200 HydrophobicContact CE-CG2 4.18Å; M150-N279 WeakPolarHBondContact CG-O 3.29Å; M150-L281 HydrophobicContact CE-CD1 4.47Å; M150-L281 HydrophobicContact CE-CD2 4Å; M150-L281 HydrophobicContact CE-CG 3.81Å; M150-L281 HydrophobicContact SD-CD2 4.22Å; M150-I470 HydrophobicContact CE-CD1 3.58Å; M150-I470 HydrophobicContact SD-CD1 4.14Å
151F94.1Very high92.3Very high13 Ų1331.8 Ų31.86%0.05719%0.191CC..Hα-helixtrans-54.4-40.3-173-177.6-91.9000113L147 K148 Q149 L153 M154 E155 L360 Y362 V365 L473 L477L147-F151 PolarHBondContact O-N 3.45Å; K148-F151 WeakPolarHBondContact O-CB 3.35Å; K148-F151 PolarHBondContact O-N 2.99Å; Q149-F151 VanDerWaalsContact C-N 3.26Å; Q149-F151 PolarHBondContact O-N 3.04Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-L153 PolarHBondContact O-N 2.79Å; F151-M154 PolarHBondContact O-N 2.97Å; F151-M154 VanDerWaalsContact O-N 3.14Å; F151-E155 HydrophobicContact CE1-CB 4.23Å; F151-E155 HydrophobicContact CE1-CG 4.37Å; F151-E155 WeakPolarHBondContact O-CB 3.01Å; F151-E155 PolarHBondContact O-N 2.98Å; F151-L360 WeakPolarHBondContact CE1-O 3.34Å; F151-L360 HydrophobicContact CZ-CG 4.4Å; F151-Y362 HydrophobicContact CB-CD2 4.49Å; F151-Y362 AromaticContact CD2-CD2 3.82Å; F151-Y362 HydrophobicContact CD2-CD2 3.82Å; F151-Y362 HydrophobicContact CD2-CG 4.32Å; F151-Y362 HydrophobicContact CE2-CD2 4.49Å; F151-Y362 HydrophobicContact CG-CD2 4.4Å; F151-V365 HydrophobicContact CE2-CG2 4.13Å; F151-V365 HydrophobicContact CZ-CG2 4.27Å; F151-L473 HydrophobicContact CD2-CD1 4.14Å; F151-L473 HydrophobicContact CD2-CD2 4.24Å; F151-L473 HydrophobicContact CE2-CD1 4.15Å; F151-L477 HydrophobicContact CD2-CD1 4.31Å; F151-L477 HydrophobicContact CE2-CD1 4.08Å; F151-L477 HydrophobicContact CE2-CD2 3.84Å; F151-L477 HydrophobicContact CE2-CG 4.4Å; F151-L477 HydrophobicContact CZ-CD2 4.09Å
152S92.5Very high92.6Very high54 Ų5432.7 Ų32.738%0.37820%0.195SC..Hα-helixtrans-62.4-39.8179.7590000112.5M150 M154 E155 E156M150-S152 VanDerWaalsContact C-N 3.27Å; M150-S152 PolarHBondContact O-N 2.9Å; S152-M154 VanDerWaalsContact C-N 3.33Å; S152-E155 PolarHBondContact O-N 2.64Å; S152-E156 WeakPolarHBondContact O-CG 3.18Å; S152-E156 PolarHBondContact O-N 2.98Å; S152-E156 VanDerWaalsContact O-N 3.07Å
153L93.6Very high92.7Very high9 Ų937 Ų375%0.04721%0.21CC..Hα-helixtrans-64.4-40.3174.8-60.4178.7000111.2M150 F151 I157 I200 R278 D280M150-L153 WeakPolarHBondContact O-CB 3.48Å; M150-L153 PolarHBondContact O-N 3.14Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-L153 PolarHBondContact O-N 2.79Å; L153-I157 WeakPolarHBondContact O-CG1 3.37Å; L153-I157 PolarHBondContact O-N 3.39Å; L153-I200 HydrophobicContact CB-CG2 4.29Å; L153-R278 HydrophobicContact CD1-CG 4.13Å; L153-R278 WeakPolarHBondContact CD1-O 3.45Å; L153-R278 HydrophobicContact CD2-CG 3.88Å; L153-D280 HydrophobicContact CD1-CB 4.13Å
154M95.5Very high93Very high0 Ų036.7 Ų36.70%020%0.199CC..Hα-helixtrans-69-39179.1-57.9179.974.400111.5M150 F151 S152 I157 G158 M196 I200 I470 L473 Q474 L477M150-M154 WeakPolarHBondContact O-CG 3.28Å; M150-M154 PolarHBondContact O-N 3Å; F151-M154 PolarHBondContact O-N 2.97Å; F151-M154 VanDerWaalsContact O-N 3.14Å; S152-M154 VanDerWaalsContact C-N 3.33Å; M154-I157 PolarHBondContact O-N 2.85Å; M154-G158 PolarHBondContact O-N 3.45Å; M154-M196 HydrophobicContact CB-CE 3.91Å; M154-M196 HydrophobicContact CB-SD 3.72Å; M154-M196 HydrophobicContact CE-CE 4.34Å; M154-M196 HydrophobicContact CE-SD 3.96Å; M154-M196 HydrophobicContact CG-CE 4.4Å; M154-M196 HydrophobicContact CG-SD 3.61Å; M154-I200 HydrophobicContact CG-CG2 3.87Å; M154-I470 HydrophobicContact CE-CG1 4.33Å; M154-I470 HydrophobicContact SD-CG1 4.47Å; M154-L473 HydrophobicContact CE-CB 4.29Å; M154-L473 HydrophobicContact CE-CD2 4.09Å; M154-L473 HydrophobicContact CE-CG 3.92Å; M154-L473 HydrophobicContact SD-CD2 3.57Å; M154-L473 VanDerWaalsContact SD-CD2 3.57Å; M154-L473 HydrophobicContact SD-CG 4.06Å; M154-Q474 HydrophobicContact CE-CB 3.72Å; M154-L477 HydrophobicContact CB-CD1 3.51Å; M154-L477 HydrophobicContact CE-CD1 4.24Å; M154-L477 HydrophobicContact SD-CD1 4.49Å
155E94.7Very high93.3Very high8 Ų834.6 Ų34.64%0.03718%0.178CC..Hα-helixtrans-61.4-42.5176-165.2-164.4173.300111.4F151 S152 I157 G158 C159 R359 L360 Y481F151-E155 HydrophobicContact CE1-CB 4.23Å; F151-E155 HydrophobicContact CE1-CG 4.37Å; F151-E155 WeakPolarHBondContact O-CB 3.01Å; F151-E155 PolarHBondContact O-N 2.98Å; S152-E155 PolarHBondContact O-N 2.64Å; E155-I157 VanDerWaalsContact C-N 3.29Å; E155-I157 PolarHBondContact O-N 2.92Å; E155-G158 WeakPolarHBondContact O-CA 3.14Å; E155-G158 PolarHBondContact O-N 3.19Å; E155-G158 VanDerWaalsContact O-N 3.09Å; E155-C159 PolarHBondContact O-N 3.31Å; E155-C159 PolarHBondContact O-SG 3.5Å; E155-R359 IonicContact OE1-CZ 3.41Å; E155-R359 IonicContact OE1-NE 3.16Å; E155-R359 PolarHBondContact OE1-NE 2.88Å; E155-R359 VanDerWaalsContact OE1-NE 3.08Å; E155-R359 IonicContact OE1-NH2 2.73Å; E155-R359 IonicContact OE2-CZ 2.86Å; E155-R359 IonicContact OE2-NE 3.52Å; E155-R359 PolarHBondContact OE2-NE 2.94Å; E155-R359 IonicContact OE2-NH2 3.08Å; E155-R359 PolarHBondContact OE2-NH2 3.41Å; E155-L360 PolarHBondContact OE1-N 3.14Å; E155-Y481 HydrophobicContact CG-CE2 4.26Å; E155-Y481 WeakPolarHBondContact CG-OH 3.36Å; E155-Y481 PolarHBondContact OE1-OH 3.35Å
156E94.3Very high93.5Very high82 Ų8234.6 Ų34.638%0.38316%0.164SC..Hα-helixtrans-55.5-44.2175.4-75.6171.2-162.200112S152 G158 C159 D160S152-E156 WeakPolarHBondContact O-CG 3.18Å; S152-E156 PolarHBondContact O-N 2.98Å; S152-E156 VanDerWaalsContact O-N 3.07Å; E156-G158 VanDerWaalsContact C-N 3.35Å; E156-C159 WeakPolarHBondContact O-CB 3.42Å; E156-C159 PolarHBondContact O-N 2.9Å; E156-D160 PolarHBondContact O-N 3.48Å
157I96.1Very high93.6Very high1 Ų138.4 Ų38.41%0.00518%0.178CC..Hα-helixtrans-68.6-36.2178.1-54.4-74000111L153 M154 E155 D160 L161 Y192 D195 M196L153-I157 WeakPolarHBondContact O-CG1 3.37Å; L153-I157 PolarHBondContact O-N 3.39Å; M154-I157 PolarHBondContact O-N 2.85Å; E155-I157 VanDerWaalsContact C-N 3.29Å; E155-I157 PolarHBondContact O-N 2.92Å; I157-D160 PolarHBondContact O-N 3.4Å; I157-L161 PolarHBondContact O-N 3.43Å; I157-Y192 HydrophobicContact CB-CE2 4.45Å; I157-Y192 HydrophobicContact CG2-CD2 3.68Å; I157-Y192 HydrophobicContact CG2-CE2 3.76Å; I157-D195 HydrophobicContact CD1-CB 3.96Å; I157-D195 WeakPolarHBondContact CD1-O 3.49Å; I157-D195 HydrophobicContact CG2-CB 3.94Å; I157-M196 HydrophobicContact CB-CE 3.95Å; I157-M196 HydrophobicContact CB-SD 4.37Å; I157-M196 HydrophobicContact CG1-SD 4.39Å; I157-M196 HydrophobicContact CG2-CB 4.2Å; I157-M196 HydrophobicContact CG2-CE 4.08Å
158G96.4Very high93.5Very high0 Ų039.7 Ų39.70%018%0.184CC..Hα-helixtrans-59.3-44.5171.300000112.5M154 E155 E156 D160 L161 E162 Y481M154-G158 PolarHBondContact O-N 3.45Å; E155-G158 WeakPolarHBondContact O-CA 3.14Å; E155-G158 PolarHBondContact O-N 3.19Å; E155-G158 VanDerWaalsContact O-N 3.09Å; E156-G158 VanDerWaalsContact C-N 3.35Å; G158-D160 PolarHBondContact O-N 3.46Å; G158-L161 WeakPolarHBondContact O-CB 3.45Å; G158-L161 PolarHBondContact O-N 3.34Å; G158-E162 PolarHBondContact O-N 3.42Å; G158-Y481 VanDerWaalsContact O-CB 3.29Å; G158-Y481 WeakPolarHBondContact O-CB 3.43Å; G158-Y481 VanDerWaalsContact O-CD1 3.31Å; G158-Y481 WeakPolarHBondContact O-CD1 3.06Å; G158-Y481 VanDerWaalsContact O-CG 3.32Å
159C94.8Very high93.3Very high60 Ų6034.4 Ų34.441%0.40516%0.162SC..Hα-helixtrans-62.1-40.6174.2-69.70000112.4E155 E156 L161 E162 W163E155-C159 PolarHBondContact O-N 3.31Å; E155-C159 PolarHBondContact O-SG 3.5Å; E156-C159 WeakPolarHBondContact O-CB 3.42Å; E156-C159 PolarHBondContact O-N 2.9Å; C159-L161 VanDerWaalsContact C-N 3.3Å; C159-L161 PolarHBondContact O-N 3.25Å; C159-E162 PolarHBondContact O-N 2.77Å; C159-W163 PolarHBondContact O-N 2.89Å
160D95.4Very high93.1Very high12 Ų1238 Ų386%0.06417%0.171CC..Hα-helixtrans-63-36.6174.5-69.9-55.7000112E156 I157 G158 W163 Y164 R205 L209 R210E156-D160 PolarHBondContact O-N 3.48Å; I157-D160 PolarHBondContact O-N 3.4Å; G158-D160 PolarHBondContact O-N 3.46Å; D160-W163 PolarHBondContact O-N 2.95Å; D160-Y164 WeakPolarHBondContact O-CB 3.41Å; D160-Y164 PolarHBondContact O-N 3.06Å; D160-R205 IonicContact OD1-NH2 3.36Å; D160-R205 IonicContact OD2-CZ 3.54Å; D160-R205 IonicContact OD2-NH1 3.66Å; D160-R205 PolarHBondContact OD2-NH1 2.94Å; D160-R205 IonicContact OD2-NH2 3.39Å; D160-R205 PolarHBondContact OD2-NH2 2.98Å; D160-L209 HydrophobicContact CB-CD1 3.9Å; D160-R210 IonicContact OD1-CZ 3.73Å; D160-R210 IonicContact OD1-NE 2.74Å; D160-R210 IonicContact OD1-NH2 3.44Å; D160-R210 PolarHBondContact OD1-NH2 3.07Å
161L96.7Very high92.3Very high0 Ų041.4 Ų41.40%019%0.19CC..Hα-helixtrans-63.5-47.2174.5171.462000110.9I157 G158 C159 W163 Y164 L165 V188 Y192 L209 F482I157-L161 PolarHBondContact O-N 3.43Å; G158-L161 WeakPolarHBondContact O-CB 3.45Å; G158-L161 PolarHBondContact O-N 3.34Å; C159-L161 VanDerWaalsContact C-N 3.3Å; C159-L161 PolarHBondContact O-N 3.25Å; L161-W163 VanDerWaalsContact C-N 3.31Å; L161-W163 PolarHBondContact O-N 3.42Å; L161-Y164 PolarHBondContact O-N 2.88Å; L161-L165 HydrophobicContact CD1-CD1 4.04Å; L161-L165 HydrophobicContact CD1-CG 4.05Å; L161-L165 HydrophobicContact CG-CD1 4.08Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.33Å; L161-V188 HydrophobicContact CD1-CG1 3.74Å; L161-Y192 HydrophobicContact CB-CD2 3.86Å; L161-Y192 HydrophobicContact CB-CE2 4.49Å; L161-Y192 HydrophobicContact CD2-CD2 3.79Å; L161-Y192 HydrophobicContact CD2-CE2 4.21Å; L161-Y192 HydrophobicContact CD2-CG 3.99Å; L161-Y192 HydrophobicContact CG-CD2 4.35Å; L161-L209 HydrophobicContact CB-CD1 4.16Å; L161-L209 HydrophobicContact CD1-CD2 4.21Å; L161-F482 HydrophobicContact CD1-CD2 4.47Å; L161-F482 HydrophobicContact CD2-CB 4.3Å; L161-F482 HydrophobicContact CD2-CD2 4.37Å
162E94.3Very high91.1Very high23 Ų2344.6 Ų44.611%0.10721%0.207CC..Hα-helixtrans-61.4-41.5177.6-167.6-171.491.400111.5G158 C159 L165 K166 Y481 H484G158-E162 PolarHBondContact O-N 3.42Å; C159-E162 PolarHBondContact O-N 2.77Å; E162-L165 PolarHBondContact O-N 3.5Å; E162-K166 WeakPolarHBondContact O-CG 3.41Å; E162-K166 PolarHBondContact O-N 3Å; E162-K166 IonicContact OE1-NZ 3.26Å; E162-K166 PolarHBondContact OE1-NZ 3.02Å; E162-Y481 HydrophobicContact CB-CD1 4.31Å; E162-H484 IonicContact OE2-CE1 3.44Å; E162-H484 IonicContact OE2-CG 2.68Å; E162-H484 IonicContact OE2-ND1 3.26Å; E162-H484 PolarHBondContact OE2-ND1 3.43Å
163W94.1Very high89.8Confident114 Ų11447 Ų4743%0.43221%0.208SC..Hα-helixtrans-60.2-45173.5174.689.9000112.1C159 D160 L161 L165 K166 R167 R210C159-W163 PolarHBondContact O-N 2.89Å; D160-W163 PolarHBondContact O-N 2.95Å; L161-W163 VanDerWaalsContact C-N 3.31Å; L161-W163 PolarHBondContact O-N 3.42Å; W163-L165 PolarHBondContact O-N 3.07Å; W163-K166 WeakPolarHBondContact O-CB 3.34Å; W163-K166 PolarHBondContact O-N 2.89Å; W163-R167 PolarHBondContact O-N 3.37Å; W163-R210 HydrophobicContact CH2-CG 4.48Å; W163-R210 HydrophobicContact CZ3-CG 4Å
164Y94.3Very high88.1Confident39 Ų3955.7 Ų55.715%0.15324%0.24CC..Hα-helixtrans-61.7-44.6178.5172.1-103.9000111.5D160 L161 K166 R167 L168 V188 L191 L209D160-Y164 WeakPolarHBondContact O-CB 3.41Å; D160-Y164 PolarHBondContact O-N 3.06Å; L161-Y164 PolarHBondContact O-N 2.88Å; Y164-K166 PolarHBondContact O-N 2.7Å; Y164-R167 PolarHBondContact O-N 3.45Å; Y164-L168 HydrophobicContact CE1-CD2 3.88Å; Y164-L168 VanDerWaalsContact O-CB 3.27Å; Y164-L168 WeakPolarHBondContact O-CB 3.37Å; Y164-L168 PolarHBondContact O-N 2.96Å; Y164-V188 HydrophobicContact CD1-CG1 4.12Å; Y164-V188 HydrophobicContact CE1-CB 4.41Å; Y164-V188 HydrophobicContact CE1-CG1 3.87Å; Y164-V188 HydrophobicContact CE1-CG2 4.02Å; Y164-L191 HydrophobicContact CE1-CD1 4.45Å; Y164-L191 HydrophobicContact CE2-CD1 4.46Å; Y164-L209 HydrophobicContact CD1-CD2 3.82Å; Y164-L209 WeakPolarHBondContact CD2-O 3.32Å; Y164-L209 HydrophobicContact CE1-CD2 4.45Å; Y164-L209 HydrophobicContact CG-CD2 3.87Å
165L94.4Very high86.3Confident0 Ų058.8 Ų58.80%027%0.272CS..Hα-helixtrans-63.2-39.7177.4-68.3170.8000112.3L161 E162 W163 L168 T169 V188 F482 H486 V517L161-L165 HydrophobicContact CD1-CD1 4.04Å; L161-L165 HydrophobicContact CD1-CG 4.05Å; L161-L165 HydrophobicContact CG-CD1 4.08Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.33Å; E162-L165 PolarHBondContact O-N 3.5Å; W163-L165 PolarHBondContact O-N 3.07Å; L165-L168 PolarHBondContact O-N 3.27Å; L165-T169 WeakPolarHBondContact O-CB 3.46Å; L165-T169 WeakPolarHBondContact O-CG2 3.46Å; L165-T169 PolarHBondContact O-N 2.92Å; L165-T169 PolarHBondContact O-OG1 3.38Å; L165-V188 HydrophobicContact CD2-CG1 4.02Å; L165-F482 HydrophobicContact CD1-CB 4.18Å; L165-F482 HydrophobicContact CD1-CD1 3.92Å; L165-F482 HydrophobicContact CD1-CD2 3.88Å; L165-F482 HydrophobicContact CD1-CE1 4.2Å; L165-F482 HydrophobicContact CD1-CE2 4.19Å; L165-F482 HydrophobicContact CD1-CG 3.73Å; L165-F482 HydrophobicContact CD1-CZ 4.33Å; L165-F482 HydrophobicContact CD2-CD2 4.39Å; L165-F482 HydrophobicContact CD2-CE1 4.22Å; L165-F482 HydrophobicContact CD2-CE2 3.88Å; L165-F482 HydrophobicContact CD2-CZ 3.77Å; L165-H486 WeakPolarHBondContact CB-CE1 3.37Å; L165-V517 HydrophobicContact CD2-CG1 4.36Å
166K92.1Very high84.4Confident73 Ų7364.5 Ų64.532%0.31730%0.303SS..Hα-helixtrans-61-45.1173.1-75.3169.2179.1164.70111.9E162 W163 Y164 T169 R170 H486E162-K166 WeakPolarHBondContact O-CG 3.41Å; E162-K166 PolarHBondContact O-N 3Å; E162-K166 IonicContact OE1-NZ 3.26Å; E162-K166 PolarHBondContact OE1-NZ 3.02Å; W163-K166 WeakPolarHBondContact O-CB 3.34Å; W163-K166 PolarHBondContact O-N 2.89Å; Y164-K166 PolarHBondContact O-N 2.7Å; K166-T169 PolarHBondContact O-OG1 3.48Å; K166-T169 VanDerWaalsContact O-OG1 3.1Å; K166-R170 VanDerWaalsContact O-CB 3.25Å; K166-R170 WeakPolarHBondContact O-CB 3.41Å; K166-R170 PolarHBondContact O-N 3.15Å; K166-H486 PolarHBondContact N-NE2 3.25Å
167R90Very high82.4Confident116 Ų11666 Ų6644%0.43833%0.329SS..Hα-helixtrans-63.2-47.6176.8179.3179.2173-172.40.2110.9W163 Y164 T169 R170 D171W163-R167 PolarHBondContact O-N 3.37Å; Y164-R167 PolarHBondContact O-N 3.45Å; R167-T169 PolarHBondContact O-N 3.32Å; R167-R170 PolarHBondContact O-N 3.37Å; R167-D171 VanDerWaalsContact CG-OD2 3.27Å; R167-D171 WeakPolarHBondContact CG-OD2 3.29Å; R167-D171 IonicContact NE-OD2 3.58Å; R167-D171 PolarHBondContact NE-OD2 3.44Å; R167-D171 WeakPolarHBondContact O-CB 3.29Å; R167-D171 VanDerWaalsContact O-CG 3.29Å; R167-D171 PolarHBondContact O-N 3.39Å
168L87.8Confident80.5Confident28 Ų2871.7 Ų71.715%0.14736%0.356CS..Hα-helixtrans-59.2-47-179.5-174.862.3000111.9Y164 L165 L172 V183 V188Y164-L168 HydrophobicContact CE1-CD2 3.88Å; Y164-L168 VanDerWaalsContact O-CB 3.27Å; Y164-L168 WeakPolarHBondContact O-CB 3.37Å; Y164-L168 PolarHBondContact O-N 2.96Å; L165-L168 PolarHBondContact O-N 3.27Å; L168-L172 HydrophobicContact CD1-CD1 3.69Å; L168-L172 HydrophobicContact CD1-CG 4.5Å; L168-L172 HydrophobicContact CG-CD1 4.1Å; L168-L172 WeakPolarHBondContact O-CB 3.09Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 2.97Å; L168-L172 VanDerWaalsContact O-N 3.14Å; L168-V183 HydrophobicContact CD1-CG1 4.23Å; L168-V183 HydrophobicContact CD2-CB 4.37Å; L168-V183 HydrophobicContact CD2-CG1 3.6Å; L168-V183 HydrophobicContact CG-CG1 3.97Å; L168-V188 HydrophobicContact CD2-CG2 4.31Å
169T87.1Confident79.1Confident2 Ų281.6 Ų81.61%0.01239%0.393CS..Hα-helixtrans-68.5-33.2176.8530000112.7L165 K166 R167 R173 A181 V517 C519L165-T169 WeakPolarHBondContact O-CB 3.46Å; L165-T169 WeakPolarHBondContact O-CG2 3.46Å; L165-T169 PolarHBondContact O-N 2.92Å; L165-T169 PolarHBondContact O-OG1 3.38Å; K166-T169 PolarHBondContact O-OG1 3.48Å; K166-T169 VanDerWaalsContact O-OG1 3.1Å; R167-T169 PolarHBondContact O-N 3.32Å; T169-R173 VanDerWaalsContact O-CB 3.28Å; T169-R173 WeakPolarHBondContact O-CB 3.29Å; T169-R173 VanDerWaalsContact O-CD 3.3Å; T169-R173 WeakPolarHBondContact O-CD 3.05Å; T169-R173 WeakPolarHBondContact O-CG 3.32Å; T169-R173 PolarHBondContact O-N 3.18Å; T169-A181 HydrophobicContact CG2-CB 4.18Å; T169-V517 HydrophobicContact CG2-CB 4.34Å; T169-V517 HydrophobicContact CG2-CG1 3.92Å; T169-V517 WeakPolarHBondContact CG2-O 3.31Å; T169-C519 HydrophobicContact CG2-CB 4.3Å; T169-C519 WeakPolarHBondContact OG1-CB 3.3Å
170R84.5Confident78.2Confident163 Ų16379.3 Ų79.362%0.61538%0.38SS*.Hα-helixtrans-70.7-46.1174.7-177.7-176.2180-172.30.7112.8K166 R167K166-R170 VanDerWaalsContact O-CB 3.25Å; K166-R170 WeakPolarHBondContact O-CB 3.41Å; K166-R170 PolarHBondContact O-N 3.15Å; R167-R170 PolarHBondContact O-N 3.37Å
171D76.6Confident77.9Confident73 Ų7378.8 Ų78.839%0.3938%0.377SS..Hα-helixtrans-69.3-37.7-174.7-71-14.2000110.7R167 R174R167-D171 VanDerWaalsContact CG-OD2 3.27Å; R167-D171 WeakPolarHBondContact CG-OD2 3.29Å; R167-D171 IonicContact NE-OD2 3.58Å; R167-D171 PolarHBondContact NE-OD2 3.44Å; R167-D171 WeakPolarHBondContact O-CB 3.29Å; R167-D171 VanDerWaalsContact O-CG 3.29Å; R167-D171 PolarHBondContact O-N 3.39Å; D171-R174 PolarHBondContact O-N 2.92Å
172L67.4Low77.6Confident80 Ų8082.3 Ų82.342%0.41940%0.395SS..Hα-helixtrans-79.6-27.6178.7-67.4169.8000113.7L168 R174 G175 A181 V183L168-L172 HydrophobicContact CD1-CD1 3.69Å; L168-L172 HydrophobicContact CD1-CG 4.5Å; L168-L172 HydrophobicContact CG-CD1 4.1Å; L168-L172 WeakPolarHBondContact O-CB 3.09Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 2.97Å; L168-L172 VanDerWaalsContact O-N 3.14Å; L172-R174 PolarHBondContact O-N 3.4Å; L172-R174 VanDerWaalsContact O-N 3.14Å; L172-G175 PolarHBondContact O-N 2.93Å; L172-G175 VanDerWaalsContact O-N 3.11Å; L172-A181 HydrophobicContact CB-CB 4.04Å; L172-A181 HydrophobicContact CD1-CB 3.49Å; L172-A181 VanDerWaalsContact CD1-CB 3.49Å; L172-A181 HydrophobicContact CG-CB 4.39Å; L172-V183 HydrophobicContact CD1-CG1 4.2Å
173R65.5Low77.6Confident103 Ų10381.8 Ų81.839%0.38939%0.394SS..THydrogen-bonded Turntrans-61.8-16.5170.9-84.4174-176.1-178.92.2113.7T169 G175 C519T169-R173 VanDerWaalsContact O-CB 3.28Å; T169-R173 WeakPolarHBondContact O-CB 3.29Å; T169-R173 VanDerWaalsContact O-CD 3.3Å; T169-R173 WeakPolarHBondContact O-CD 3.05Å; T169-R173 WeakPolarHBondContact O-CG 3.32Å; T169-R173 PolarHBondContact O-N 3.18Å; R173-G175 VanDerWaalsContact C-N 3.28Å; R173-C519 PolarHBondContact NH2-O 3.33Å
174R59.2Low77.6Confident193 Ų19376.8 Ų76.873%0.72838%0.376SS*.THydrogen-bonded Turntrans-77.2-12.9176.1-73.4179.5164.9174.7-6.7113.3D171 L172D171-R174 PolarHBondContact O-N 2.92Å; L172-R174 PolarHBondContact O-N 3.4Å; L172-R174 VanDerWaalsContact O-N 3.14Å
175G57.1Low77.7Confident65 Ų6575 Ų7567%0.6737%0.369SS*.THydrogen-bonded Turntrans-103.1-33.6-176.600000115.3L172 R173L172-G175 PolarHBondContact O-N 2.93Å; L172-G175 VanDerWaalsContact O-N 3.11Å; R173-G175 VanDerWaalsContact C-N 3.28Å
176D54.8Low77.6Confident128 Ų12877.3 Ų77.368%0.68438%0.379SS*.  trans-133.1138.9-176.3-79.6-47.3000111.1E178D176-E178 PolarHBondContact O-N 3.45Å
177A51.1Low77.6Confident114 Ų11477.2 Ų77.294%0.94238%0.382SS*.SBendtrans-65.3-4.3-179.600000114
178E58Low77.8Confident120 Ų12071.9 Ų71.956%0.56136%0.362SS*.SBendtrans-77.7129.4176.8-67.9-156.9-178.500111.9D176 G180 K516D176-E178 PolarHBondContact O-N 3.45Å; E178-G180 VanDerWaalsContact C-N 3.34Å; E178-G180 PolarHBondContact O-N 2.74Å; E178-K516 IonicContact OE2-NZ 2.78Å; E178-K516 PolarHBondContact OE2-NZ 3.03Å
179R65.4Low78.2Confident207 Ų20770.5 Ų70.578%0.78136%0.355SS*.SBendtrans-62.894168-69.4179.1173.4-178.5-2.4108.1K516R179-K516 WeakPolarHBondContact O-CE 3.3Å; R179-K516 PolarHBondContact O-NZ 3.5Å
180G77Confident78.4Confident12 Ų1271.6 Ų71.612%0.12436%0.361CS..SBendtrans147.4162.9171.700000115.3E178 V517 D518E178-G180 VanDerWaalsContact C-N 3.34Å; E178-G180 PolarHBondContact O-N 2.74Å; G180-V517 CarbonylContact C-O 3.54Å; G180-V517 WeakPolarHBondContact CA-O 3.42Å; G180-D518 WeakPolarHBondContact CA-OD1 3.47Å
181A88Confident78.8Confident1 Ų164.5 Ų64.51%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-115.7121176.600000110.9T169 L172 V183 K516 V517T169-A181 HydrophobicContact CG2-CB 4.18Å; L172-A181 HydrophobicContact CB-CB 4.04Å; L172-A181 HydrophobicContact CD1-CB 3.49Å; L172-A181 VanDerWaalsContact CD1-CB 3.49Å; L172-A181 HydrophobicContact CG-CB 4.39Å; A181-V183 HydrophobicContact CB-CG1 4.01Å; A181-V183 PolarHBondContact O-N 3.19Å; A181-K516 CarbonylContact O-C 3.6Å; A181-K516 WeakPolarHBondContact O-CA 3.3Å; A181-V517 PolarHBondContact N-O 3.44Å; A181-V517 PolarHBondContact O-N 3.2Å
182I92.2Very high79.7Confident74 Ų7461 Ų6138%0.37932%0.317SS..EExtended strand (participates in β ladder)trans-82.4116.1172.9-61.2174.2000109.4C491 Y514 L515 K516I182-C491 HydrophobicContact CD1-CB 4.12Å; I182-C491 HydrophobicContact CG1-CB 4.24Å; I182-Y514 HydrophobicContact CG2-CD1 4.34Å; I182-L515 WeakPolarHBondContact CA-O 3.26Å; I182-K516 HydrophobicContact CG1-CB 4.49Å
183V93.1Very high81Confident13 Ų1357.2 Ų57.28%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-135.4151.1-171-57.60000111.6L168 L172 A181 I185 V188 Y514 L515 V517L168-V183 HydrophobicContact CD1-CG1 4.23Å; L168-V183 HydrophobicContact CD2-CB 4.37Å; L168-V183 HydrophobicContact CD2-CG1 3.6Å; L168-V183 HydrophobicContact CG-CG1 3.97Å; L172-V183 HydrophobicContact CD1-CG1 4.2Å; A181-V183 HydrophobicContact CB-CG1 4.01Å; A181-V183 PolarHBondContact O-N 3.19Å; V183-I185 HydrophobicContact CG2-CD1 3.8Å; V183-I185 PolarHBondContact O-N 3.27Å; V183-V188 HydrophobicContact CG2-CG2 4.34Å; V183-Y514 WeakPolarHBondContact O-CA 3.48Å; V183-L515 PolarHBondContact N-O 3.2Å; V183-L515 PolarHBondContact O-N 3.41Å; V183-V517 HydrophobicContact CG2-CG2 3.54Å
184S94.6Very high82.2Confident9 Ų952.5 Ų52.56%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-72.3110.1166.2177.20000107.9K186 D187 V188S184-K186 VanDerWaalsContact C-N 3.28Å; S184-K186 PolarHBondContact O-N 2.74Å; S184-D187 WeakPolarHBondContact CB-OD1 3.37Å; S184-D187 VanDerWaalsContact CB-OD2 3.3Å; S184-D187 WeakPolarHBondContact CB-OD2 3.39Å; S184-D187 PolarHBondContact O-N 3.45Å; S184-D187 PolarHBondContact OG-OD1 3.23Å; S184-D187 PolarHBondContact OG-OD2 3.29Å; S184-V188 PolarHBondContact O-N 3.41Å
185I96.3Very high83.9Confident0 Ų043.4 Ų43.40%025%0.245CC..Hα-helixtrans-67.4-33.8-174.5-66.7-70.1000111.4V183 D187 V188 C189 L331 F482 V488 I513 L515 V517V183-I185 HydrophobicContact CG2-CD1 3.8Å; V183-I185 PolarHBondContact O-N 3.27Å; I185-D187 VanDerWaalsContact C-N 3.3Å; I185-D187 PolarHBondContact O-N 3.18Å; I185-V188 PolarHBondContact O-N 2.98Å; I185-C189 PolarHBondContact O-N 3.23Å; I185-C189 PolarHBondContact O-SG 3.43Å; I185-L331 HydrophobicContact CG2-CB 4.02Å; I185-L331 HydrophobicContact CG2-CD1 3.51Å; I185-L331 HydrophobicContact CG2-CG 4.42Å; I185-F482 HydrophobicContact CD1-CE2 4.43Å; I185-F482 HydrophobicContact CD1-CZ 3.76Å; I185-V488 HydrophobicContact CD1-CG1 4.45Å; I185-I513 PolarHBondContact N-O 3.48Å; I185-L515 HydrophobicContact CD1-CB 3.97Å; I185-L515 HydrophobicContact CD1-CD1 4.16Å; I185-L515 HydrophobicContact CD1-CG 4.39Å; I185-L515 HydrophobicContact CG1-CB 3.69Å; I185-L515 HydrophobicContact CG1-CD1 3.65Å; I185-L515 HydrophobicContact CG1-CG 3.69Å; I185-V517 HydrophobicContact CD1-CG2 3.98Å
186K92.9Very high85.7Confident50 Ų5040.3 Ų40.322%0.21721%0.213CC..Hα-helixtrans-61.4-41.3175-164.5-170.2-176.6-56.70111.2S184 V188 C189 D190 E321 S328S184-K186 VanDerWaalsContact C-N 3.28Å; S184-K186 PolarHBondContact O-N 2.74Å; K186-V188 VanDerWaalsContact C-N 3.32Å; K186-V188 PolarHBondContact O-N 3.49Å; K186-C189 CarbonylContact O-C 3.39Å; K186-C189 PolarHBondContact O-N 2.92Å; K186-D190 IonicContact NZ-OD1 3.33Å; K186-D190 PolarHBondContact NZ-OD1 3.12Å; K186-D190 IonicContact NZ-OD2 2.7Å; K186-D190 PolarHBondContact NZ-OD2 3.17Å; K186-D190 WeakPolarHBondContact O-CB 3.36Å; K186-D190 VanDerWaalsContact O-CG 3.24Å; K186-D190 PolarHBondContact O-N 3.41Å; K186-E321 VanDerWaalsContact CE-OE1 3.23Å; K186-E321 WeakPolarHBondContact CE-OE1 3.44Å; K186-E321 IonicContact NZ-OE1 3.66Å; K186-E321 PolarHBondContact NZ-OE1 2.89Å; K186-E321 IonicContact NZ-OE2 2.64Å; K186-E321 PolarHBondContact NZ-OE2 3.42Å; K186-S328 VanDerWaalsContact CA-OG 3.29Å; K186-S328 WeakPolarHBondContact CA-OG 3.4Å
187D91.7Very high87.4Confident71 Ų7134.6 Ų34.638%0.3818%0.182SC..Hα-helixtrans-61.8-43-179.5-58.510.8000110.3S184 I185 D190 L191S184-D187 WeakPolarHBondContact CB-OD1 3.37Å; S184-D187 VanDerWaalsContact CB-OD2 3.3Å; S184-D187 WeakPolarHBondContact CB-OD2 3.39Å; S184-D187 PolarHBondContact O-N 3.45Å; S184-D187 PolarHBondContact OG-OD1 3.23Å; S184-D187 PolarHBondContact OG-OD2 3.29Å; I185-D187 VanDerWaalsContact C-N 3.3Å; I185-D187 PolarHBondContact O-N 3.18Å; D187-D190 PolarHBondContact O-N 3.29Å; D187-L191 WeakPolarHBondContact O-CG 2.93Å; D187-L191 PolarHBondContact O-N 2.92Å; D187-L191 VanDerWaalsContact O-N 3.09Å
188V94.5Very high89.3Confident3 Ų329.1 Ų29.12%0.01814%0.138CC..Hα-helixtrans-63.4-44.9175.5-178.50000111.5L161 Y164 L165 L168 V183 S184 I185 K186 D190 L191 Y192 F482L161-V188 HydrophobicContact CD1-CG1 3.74Å; Y164-V188 HydrophobicContact CD1-CG1 4.12Å; Y164-V188 HydrophobicContact CE1-CB 4.41Å; Y164-V188 HydrophobicContact CE1-CG1 3.87Å; Y164-V188 HydrophobicContact CE1-CG2 4.02Å; L165-V188 HydrophobicContact CD2-CG1 4.02Å; L168-V188 HydrophobicContact CD2-CG2 4.31Å; V183-V188 HydrophobicContact CG2-CG2 4.34Å; S184-V188 PolarHBondContact O-N 3.41Å; I185-V188 PolarHBondContact O-N 2.98Å; K186-V188 VanDerWaalsContact C-N 3.32Å; K186-V188 PolarHBondContact O-N 3.49Å; V188-D190 VanDerWaalsContact C-N 3.33Å; V188-D190 PolarHBondContact O-N 2.86Å; V188-L191 PolarHBondContact O-N 3.49Å; V188-Y192 PolarHBondContact O-N 2.99Å; V188-Y192 VanDerWaalsContact O-N 3.11Å; V188-F482 HydrophobicContact CB-CE2 4.46Å; V188-F482 HydrophobicContact CG1-CE2 3.88Å
189C95.2Very high90.9Very high0 Ų023.4 Ų23.40%011%0.111CC..Hα-helixtrans-64.8-37.8178.2-63.20000111.6I185 K186 Y192 N193 S324 M327I185-C189 PolarHBondContact O-N 3.23Å; I185-C189 PolarHBondContact O-SG 3.43Å; K186-C189 CarbonylContact O-C 3.39Å; K186-C189 PolarHBondContact O-N 2.92Å; C189-Y192 PolarHBondContact O-N 3.42Å; C189-N193 WeakPolarHBondContact O-CB 3.32Å; C189-N193 PolarHBondContact O-N 2.71Å; C189-N193 PolarHBondContact O-ND2 3Å; C189-S324 PolarHBondContact O-OG 3.48Å; C189-M327 HydrophobicContact CB-CB 4.35Å
190D91.8Very high92.2Very high24 Ų2413.6 Ų13.613%0.1287%0.074CC..Hα-helixtrans-63.7-42.5176.8-74.2-16.5000111.4K186 D187 V188 T194 S324K186-D190 IonicContact NZ-OD1 3.33Å; K186-D190 PolarHBondContact NZ-OD1 3.12Å; K186-D190 IonicContact NZ-OD2 2.7Å; K186-D190 PolarHBondContact NZ-OD2 3.17Å; K186-D190 WeakPolarHBondContact O-CB 3.36Å; K186-D190 VanDerWaalsContact O-CG 3.24Å; K186-D190 PolarHBondContact O-N 3.41Å; D187-D190 PolarHBondContact O-N 3.29Å; V188-D190 VanDerWaalsContact C-N 3.33Å; V188-D190 PolarHBondContact O-N 2.86Å; D190-T194 VanDerWaalsContact O-CB 3.26Å; D190-T194 WeakPolarHBondContact O-CB 3.31Å; D190-T194 PolarHBondContact O-N 3.39Å; D190-T194 PolarHBondContact O-OG1 3.21Å; D190-S324 VanDerWaalsContact CA-OG 3.3Å; D190-S324 WeakPolarHBondContact CA-OG 3.44Å; D190-S324 PolarHBondContact N-OG 3.18Å; D190-S324 WeakPolarHBondContact OD1-CB 3.48Å; D190-S324 PolarHBondContact OD1-OG 2.79Å
191L92.4Very high92.7Very high15 Ų1513 Ų138%0.0797%0.068CC..Hα-helixtrans-62-47.2175.1-64.1174.4000111.6Y164 D187 V188 T194 D195 L209 T212Y164-L191 HydrophobicContact CE1-CD1 4.45Å; Y164-L191 HydrophobicContact CE2-CD1 4.46Å; D187-L191 WeakPolarHBondContact O-CG 2.93Å; D187-L191 PolarHBondContact O-N 2.92Å; D187-L191 VanDerWaalsContact O-N 3.09Å; V188-L191 PolarHBondContact O-N 3.49Å; L191-T194 PolarHBondContact O-N 3.5Å; L191-D195 PolarHBondContact O-N 2.84Å; L191-L209 HydrophobicContact CB-CD2 3.76Å; L191-L209 HydrophobicContact CB-CG 4.2Å; L191-T212 HydrophobicContact CD1-CG2 3.88Å; L191-T212 HydrophobicContact CD2-CG2 4.19Å
192Y95.3Very high92.6Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-60.6-48.5177.2164.2-102.6000112.4I157 L161 V188 C189 T194 D195 M196 M327 Q474 G478I157-Y192 HydrophobicContact CB-CE2 4.45Å; I157-Y192 HydrophobicContact CG2-CD2 3.68Å; I157-Y192 HydrophobicContact CG2-CE2 3.76Å; L161-Y192 HydrophobicContact CB-CD2 3.86Å; L161-Y192 HydrophobicContact CB-CE2 4.49Å; L161-Y192 HydrophobicContact CD2-CD2 3.79Å; L161-Y192 HydrophobicContact CD2-CE2 4.21Å; L161-Y192 HydrophobicContact CD2-CG 3.99Å; L161-Y192 HydrophobicContact CG-CD2 4.35Å; V188-Y192 PolarHBondContact O-N 2.99Å; V188-Y192 VanDerWaalsContact O-N 3.11Å; C189-Y192 PolarHBondContact O-N 3.42Å; Y192-T194 VanDerWaalsContact C-N 3.34Å; Y192-T194 PolarHBondContact O-N 2.86Å; Y192-D195 PolarHBondContact O-N 3.45Å; Y192-M196 HydrophobicContact CE1-CE 4.28Å; Y192-M196 HydrophobicContact CE2-CE 3.63Å; Y192-M196 WeakPolarHBondContact O-CB 3.4Å; Y192-M196 PolarHBondContact O-N 3.49Å; Y192-M196 WeakPolarHBondContact OH-CE 3.41Å; Y192-M327 HydrophobicContact CD1-CE 3.7Å; Y192-M327 HydrophobicContact CD1-SD 3.68Å; Y192-M327 HydrophobicContact CE1-CE 3.87Å; Y192-M327 HydrophobicContact CE1-SD 3.6Å; Y192-M327 VanDerWaalsContact CE1-SD 3.6Å; Y192-Q474 HydrophobicContact CE1-CG 4.47Å; Y192-Q474 PolarHBondContact OH-O 2.61Å; Y192-G478 VanDerWaalsContact CZ-CA 3.48Å; Y192-G478 WeakPolarHBondContact OH-CA 3.27Å; Y192-G478 PolarHBondContact OH-N 3Å
193N94.5Very high92.3Very high0 Ų09.8 Ų9.80%05%0.052CC..Hα-helixtrans-73.1-28.2-177-69.5-64.7000112.3C189 I197 I320 C323 S324 Q474C189-N193 WeakPolarHBondContact O-CB 3.32Å; C189-N193 PolarHBondContact O-N 2.71Å; C189-N193 PolarHBondContact O-ND2 3Å; N193-I197 WeakPolarHBondContact O-CB 3.29Å; N193-I197 WeakPolarHBondContact O-CG1 3.27Å; N193-I197 PolarHBondContact O-N 2.66Å; N193-I320 HydrophobicContact CB-CG2 4.36Å; N193-C323 VanDerWaalsContact OD1-CB 3.26Å; N193-C323 WeakPolarHBondContact OD1-CB 3.37Å; N193-S324 VanDerWaalsContact ND2-CA 3.27Å; N193-S324 WeakPolarHBondContact ND2-CA 3.39Å; N193-S324 PolarHBondContact ND2-N 2.97Å; N193-S324 PolarHBondContact ND2-OG 2.91Å; N193-Q474 PolarHBondContact OD1-NE2 2.86Å
194T91.9Very high92Very high3 Ų311.4 Ų11.42%0.0186%0.061CC..Hα-helixtrans-62.7-49.7169.5-58.80000110.5D190 L191 Y192 M196 I197 A198 S208 I216D190-T194 VanDerWaalsContact O-CB 3.26Å; D190-T194 WeakPolarHBondContact O-CB 3.31Å; D190-T194 PolarHBondContact O-N 3.39Å; D190-T194 PolarHBondContact O-OG1 3.21Å; L191-T194 PolarHBondContact O-N 3.5Å; Y192-T194 VanDerWaalsContact C-N 3.34Å; Y192-T194 PolarHBondContact O-N 2.86Å; T194-M196 VanDerWaalsContact C-N 3.33Å; T194-M196 PolarHBondContact O-N 3.42Å; T194-I197 PolarHBondContact O-N 3.31Å; T194-A198 WeakPolarHBondContact O-CB 3.31Å; T194-A198 PolarHBondContact O-N 3.34Å; T194-S208 WeakPolarHBondContact CG2-OG 3.46Å; T194-I216 HydrophobicContact CG2-CG2 4.18Å
195D93.6Very high91.6Very high3 Ų313.5 Ų13.52%0.0167%0.067CC..Hα-helixtrans-62.3-41.2176.9-85.8-16000112.1I157 L191 Y192 I197 A198 S199 S206 Y207 S208 L209I157-D195 HydrophobicContact CD1-CB 3.96Å; I157-D195 WeakPolarHBondContact CD1-O 3.49Å; I157-D195 HydrophobicContact CG2-CB 3.94Å; L191-D195 PolarHBondContact O-N 2.84Å; Y192-D195 PolarHBondContact O-N 3.45Å; D195-I197 PolarHBondContact O-N 2.89Å; D195-A198 PolarHBondContact O-N 3.31Å; D195-S199 WeakPolarHBondContact O-CB 3.32Å; D195-S199 PolarHBondContact O-N 3.31Å; D195-S206 WeakPolarHBondContact CA-OG 3.11Å; D195-S206 WeakPolarHBondContact OD1-CB 3.33Å; D195-S206 PolarHBondContact OD1-OG 3.21Å; D195-Y207 WeakPolarHBondContact OD1-CA 3.04Å; D195-Y207 PolarHBondContact OD1-N 3.23Å; D195-S208 VanDerWaalsContact CG-N 3.26Å; D195-S208 WeakPolarHBondContact OD1-CB 3.3Å; D195-S208 PolarHBondContact OD1-N 3.45Å; D195-S208 PolarHBondContact OD1-OG 3.06Å; D195-S208 PolarHBondContact OD2-N 2.89Å; D195-L209 WeakPolarHBondContact OD2-CB 3.27Å; D195-L209 WeakPolarHBondContact OD2-CG 3.47Å; D195-L209 PolarHBondContact OD2-N 3.11Å
196M94.8Very high90.8Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-57.4-52.9177.1-176.663.272.400111M154 I157 Y192 T194 S199 I200 Q474M154-M196 HydrophobicContact CB-CE 3.91Å; M154-M196 HydrophobicContact CB-SD 3.72Å; M154-M196 HydrophobicContact CE-CE 4.34Å; M154-M196 HydrophobicContact CE-SD 3.96Å; M154-M196 HydrophobicContact CG-CE 4.4Å; M154-M196 HydrophobicContact CG-SD 3.61Å; I157-M196 HydrophobicContact CB-CE 3.95Å; I157-M196 HydrophobicContact CB-SD 4.37Å; I157-M196 HydrophobicContact CG1-SD 4.39Å; I157-M196 HydrophobicContact CG2-CB 4.2Å; I157-M196 HydrophobicContact CG2-CE 4.08Å; Y192-M196 HydrophobicContact CE1-CE 4.28Å; Y192-M196 HydrophobicContact CE2-CE 3.63Å; Y192-M196 WeakPolarHBondContact O-CB 3.4Å; Y192-M196 PolarHBondContact O-N 3.49Å; Y192-M196 WeakPolarHBondContact OH-CE 3.41Å; T194-M196 VanDerWaalsContact C-N 3.33Å; T194-M196 PolarHBondContact O-N 3.42Å; M196-S199 PolarHBondContact O-N 2.9Å; M196-I200 HydrophobicContact CG-CD1 4.05Å; M196-I200 VanDerWaalsContact O-CG1 3.31Å; M196-I200 WeakPolarHBondContact O-CG1 3.46Å; M196-I200 PolarHBondContact O-N 3.07Å; M196-I200 HydrophobicContact SD-CD1 4.36Å; M196-I200 HydrophobicContact SD-CG2 4.17Å; M196-Q474 HydrophobicContact CG-CG 3.86Å
197I92.1Very high90.4Very high7 Ų716.6 Ų16.64%0.0368%0.08CC..Hα-helixtrans-69.1-39.1-178.9-68.7-51000111.8N193 T194 D195 S199 I200 A201 F202 E316 I320N193-I197 WeakPolarHBondContact O-CB 3.29Å; N193-I197 WeakPolarHBondContact O-CG1 3.27Å; N193-I197 PolarHBondContact O-N 2.66Å; T194-I197 PolarHBondContact O-N 3.31Å; D195-I197 PolarHBondContact O-N 2.89Å; I197-S199 PolarHBondContact O-N 3.34Å; I197-I200 HydrophobicContact CD1-CD1 4.04Å; I197-I200 HydrophobicContact CD1-CG1 4.21Å; I197-I200 PolarHBondContact O-N 2.93Å; I197-A201 HydrophobicContact CG2-CB 3.87Å; I197-A201 WeakPolarHBondContact O-CA 3.43Å; I197-A201 WeakPolarHBondContact O-CB 3.46Å; I197-A201 PolarHBondContact O-N 2.71Å; I197-F202 HydrophobicContact CG2-CE2 4.4Å; I197-F202 PolarHBondContact O-N 3.1Å; I197-E316 HydrophobicContact CG2-CB 4.44Å; I197-E316 HydrophobicContact CG2-CG 4.43Å; I197-I320 HydrophobicContact CB-CD1 4.38Å; I197-I320 HydrophobicContact CB-CG1 3.93Å; I197-I320 HydrophobicContact CG1-CG1 3.75Å; I197-I320 HydrophobicContact CG2-CD1 4.33Å; I197-I320 HydrophobicContact CG2-CG1 4.19Å
198A90.2Very high90.1Very high0 Ų013.2 Ų13.20%06%0.063CC..Hα-helixtrans-56.8-43173.100000111.5T194 D195 F202 G203 L204 S206 I216T194-A198 WeakPolarHBondContact O-CB 3.31Å; T194-A198 PolarHBondContact O-N 3.34Å; D195-A198 PolarHBondContact O-N 3.31Å; A198-F202 HydrophobicContact CB-CD2 4.49Å; A198-F202 CarbonylContact O-C 3.14Å; A198-F202 WeakPolarHBondContact O-CA 3.26Å; A198-F202 WeakPolarHBondContact O-CB 3.34Å; A198-F202 PolarHBondContact O-N 3.27Å; A198-G203 PolarHBondContact O-N 3Å; A198-L204 CarbonylContact C-O 3.58Å; A198-L204 PolarHBondContact O-N 2.75Å; A198-L204 VanDerWaalsContact O-O 3.07Å; A198-S206 WeakPolarHBondContact CB-OG 3.42Å; A198-I216 HydrophobicContact CB-CD1 4.24Å; A198-I216 HydrophobicContact CB-CG2 4.45Å
199S92.1Very high89.7Confident0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-68.5-50.9179.1-169.20000112.3D195 M196 I197 G203 L204D195-S199 WeakPolarHBondContact O-CB 3.32Å; D195-S199 PolarHBondContact O-N 3.31Å; M196-S199 PolarHBondContact O-N 2.9Å; I197-S199 PolarHBondContact O-N 3.34Å; S199-G203 VanDerWaalsContact O-CA 3.27Å; S199-G203 WeakPolarHBondContact O-CA 3.19Å; S199-G203 PolarHBondContact O-N 3.19Å; S199-L204 WeakPolarHBondContact CA-O 3.4Å; S199-L204 PolarHBondContact N-O 3.2Å; S199-L204 VanDerWaalsContact N-O 3.07Å
200I91.7Very high89.1Confident1 Ų119.3 Ų19.31%0.0059%0.085CC..Hα-helixtrans-89.4-28.4-169.876.4-174.8000113.6M150 L153 M154 M196 I197 L281 I470M150-I200 HydrophobicContact CE-CB 3.53Å; M150-I200 HydrophobicContact CE-CD1 4.32Å; M150-I200 HydrophobicContact CE-CG1 4.15Å; M150-I200 HydrophobicContact CE-CG2 4.18Å; L153-I200 HydrophobicContact CB-CG2 4.29Å; M154-I200 HydrophobicContact CG-CG2 3.87Å; M196-I200 HydrophobicContact CG-CD1 4.05Å; M196-I200 VanDerWaalsContact O-CG1 3.31Å; M196-I200 WeakPolarHBondContact O-CG1 3.46Å; M196-I200 PolarHBondContact O-N 3.07Å; M196-I200 HydrophobicContact SD-CD1 4.36Å; M196-I200 HydrophobicContact SD-CG2 4.17Å; I197-I200 HydrophobicContact CD1-CD1 4.04Å; I197-I200 HydrophobicContact CD1-CG1 4.21Å; I197-I200 PolarHBondContact O-N 2.93Å; I200-L281 WeakPolarHBondContact O-CB 3.47Å; I200-L281 VanDerWaalsContact O-CG 3.3Å; I200-L281 WeakPolarHBondContact O-CG 3.46Å; I200-L281 PolarHBondContact O-N 2.99Å; I200-I470 HydrophobicContact CD1-CD1 3.73Å; I200-I470 HydrophobicContact CD1-CG1 4.25Å
201A87Confident88.4Confident0 Ų022.4 Ų22.40%010%0.102CC..Hα-helixtrans-95.3-37.4-17900000112.6I197 L281 I282 F315I197-A201 HydrophobicContact CG2-CB 3.87Å; I197-A201 WeakPolarHBondContact O-CA 3.43Å; I197-A201 WeakPolarHBondContact O-CB 3.46Å; I197-A201 PolarHBondContact O-N 2.71Å; A201-L281 HydrophobicContact CB-CD1 4.27Å; A201-I282 WeakPolarHBondContact O-CD1 3.26Å; A201-F315 HydrophobicContact CB-CB 3.79Å; A201-F315 HydrophobicContact CB-CD2 4.26Å; A201-F315 HydrophobicContact CB-CG 4.49Å
202F86.3Confident87.3Confident0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-107.3-7.4-177.1-50.5-39.1000113.8I197 A198 L204 I216 L260 I264 V267 I282 A312 E316I197-F202 HydrophobicContact CG2-CE2 4.4Å; I197-F202 PolarHBondContact O-N 3.1Å; A198-F202 HydrophobicContact CB-CD2 4.49Å; A198-F202 CarbonylContact O-C 3.14Å; A198-F202 WeakPolarHBondContact O-CA 3.26Å; A198-F202 WeakPolarHBondContact O-CB 3.34Å; A198-F202 PolarHBondContact O-N 3.27Å; F202-L204 HydrophobicContact CB-CB 4.34Å; F202-L204 HydrophobicContact CB-CD1 4.16Å; F202-L204 HydrophobicContact CB-CG 4.21Å; F202-L204 PolarHBondContact O-N 3.36Å; F202-I216 HydrophobicContact CE2-CG2 4.47Å; F202-L260 HydrophobicContact CE1-CD2 4.27Å; F202-L260 HydrophobicContact CZ-CD2 3.92Å; F202-I264 HydrophobicContact CD1-CD1 3.89Å; F202-I264 HydrophobicContact CE1-CD1 4.37Å; F202-V267 WeakPolarHBondContact O-CG1 3.39Å; F202-I282 WeakPolarHBondContact O-CG1 3.35Å; F202-A312 HydrophobicContact CD1-CB 4.42Å; F202-A312 HydrophobicContact CE1-CB 3.9Å; F202-E316 HydrophobicContact CE2-CG 4.31Å; F202-E316 HydrophobicContact CZ-CB 3.85Å; F202-E316 HydrophobicContact CZ-CG 3.98Å
203G86.9Confident86.1Confident6 Ų633.7 Ų33.76%0.06216%0.16CC..SBendtrans64.722.4-176.900000113.1A198 S199 R278 D280A198-G203 PolarHBondContact O-N 3Å; S199-G203 VanDerWaalsContact O-CA 3.27Å; S199-G203 WeakPolarHBondContact O-CA 3.19Å; S199-G203 PolarHBondContact O-N 3.19Å; G203-R278 PolarHBondContact O-NH1 3.06Å; G203-D280 WeakPolarHBondContact CA-OD2 3.48Å
204L86.5Confident85Confident48 Ų4834.3 Ų34.325%0.25116%0.164SC..  trans-117.9158.3-174.2-68.1177.5000111.5A198 S199 F202 I216 V263 V267A198-L204 CarbonylContact C-O 3.58Å; A198-L204 PolarHBondContact O-N 2.75Å; A198-L204 VanDerWaalsContact O-O 3.07Å; S199-L204 WeakPolarHBondContact CA-O 3.4Å; S199-L204 PolarHBondContact N-O 3.2Å; S199-L204 VanDerWaalsContact N-O 3.07Å; F202-L204 HydrophobicContact CB-CB 4.34Å; F202-L204 HydrophobicContact CB-CD1 4.16Å; F202-L204 HydrophobicContact CB-CG 4.21Å; F202-L204 PolarHBondContact O-N 3.36Å; L204-I216 HydrophobicContact CB-CD1 4.38Å; L204-I216 HydrophobicContact CD1-CD1 4.05Å; L204-V263 HydrophobicContact CD1-CG1 3.64Å; L204-V267 HydrophobicContact CD1-CG2 3.97Å; L204-V267 HydrophobicContact CD2-CG2 3.84Å; L204-V267 HydrophobicContact CG-CG2 3.92Å
205R85.1Confident84.2Confident52 Ų5239.7 Ų39.720%0.19619%0.19CC..  trans-107.9102.6170.4-67.4-77.2-66.2177.71.2108.3D160 Y207D160-R205 IonicContact OD1-NH2 3.36Å; D160-R205 IonicContact OD2-CZ 3.54Å; D160-R205 IonicContact OD2-NH1 3.66Å; D160-R205 PolarHBondContact OD2-NH1 2.94Å; D160-R205 IonicContact OD2-NH2 3.39Å; D160-R205 PolarHBondContact OD2-NH2 2.98Å; R205-Y207 VanDerWaalsContact C-N 3.33Å; R205-Y207 HydrophobicContact CB-CD1 4.44Å; R205-Y207 HydrophobicContact CB-CD2 3.91Å; R205-Y207 HydrophobicContact CB-CE1 3.98Å; R205-Y207 HydrophobicContact CB-CE2 3.37Å; R205-Y207 HydrophobicContact CB-CG 4.41Å; R205-Y207 VanDerWaalsContact CB-CZ 3.41Å; R205-Y207 HydrophobicContact CG-CE2 4.46Å; R205-Y207 WeakPolarHBondContact O-CD2 3.34Å; R205-Y207 WeakPolarHBondContact O-CE2 3.42Å
206S81Confident83.2Confident15 Ų1540.4 Ų40.411%0.10519%0.193CC..  trans-73.4-26.3176.839.40000113.1D195 A198 S208 S214D195-S206 WeakPolarHBondContact CA-OG 3.11Å; D195-S206 WeakPolarHBondContact OD1-CB 3.33Å; D195-S206 PolarHBondContact OD1-OG 3.21Å; A198-S206 WeakPolarHBondContact CB-OG 3.42Å; S206-S208 PolarHBondContact O-N 2.87Å; S206-S214 WeakPolarHBondContact O-CB 3.26Å
207Y84.2Confident82Confident100 Ų10040.6 Ų40.639%0.39220%0.195SC..  trans53.333.1-177.4-57.2-75000113.5D195 R205 L209 R210 N211D195-Y207 WeakPolarHBondContact OD1-CA 3.04Å; D195-Y207 PolarHBondContact OD1-N 3.23Å; R205-Y207 VanDerWaalsContact C-N 3.33Å; R205-Y207 HydrophobicContact CB-CD1 4.44Å; R205-Y207 HydrophobicContact CB-CD2 3.91Å; R205-Y207 HydrophobicContact CB-CE1 3.98Å; R205-Y207 HydrophobicContact CB-CE2 3.37Å; R205-Y207 HydrophobicContact CB-CG 4.41Å; R205-Y207 VanDerWaalsContact CB-CZ 3.41Å; R205-Y207 HydrophobicContact CG-CE2 4.46Å; R205-Y207 WeakPolarHBondContact O-CD2 3.34Å; R205-Y207 WeakPolarHBondContact O-CE2 3.42Å; Y207-L209 PolarHBondContact O-N 2.67Å; Y207-R210 CarbonylContact O-C 3.6Å; Y207-R210 WeakPolarHBondContact O-CA 3.42Å; Y207-R210 PolarHBondContact O-N 2.86Å; Y207-N211 PolarHBondContact O-N 2.8Å
208S84.6Confident81.2Confident1 Ų142.6 Ų42.61%0.00721%0.209CC..THydrogen-bonded Turntrans-56.6-35.1177-57.90000112.3T194 D195 S206 R210 N211 T212 S214T194-S208 WeakPolarHBondContact CG2-OG 3.46Å; D195-S208 VanDerWaalsContact CG-N 3.26Å; D195-S208 WeakPolarHBondContact OD1-CB 3.3Å; D195-S208 PolarHBondContact OD1-N 3.45Å; D195-S208 PolarHBondContact OD1-OG 3.06Å; D195-S208 PolarHBondContact OD2-N 2.89Å; S206-S208 PolarHBondContact O-N 2.87Å; S208-R210 PolarHBondContact O-N 3.29Å; S208-N211 WeakPolarHBondContact CA-O 3.33Å; S208-N211 CarbonylContact O-C 3.28Å; S208-T212 PolarHBondContact O-N 3.39Å; S208-S214 PolarHBondContact OG-OG 3.34Å
209L85.8Confident80.6Confident2 Ų244.4 Ų44.41%0.0122%0.218CC..THydrogen-bonded Turntrans-67-19.9172.1-72.4166.2000113.4D160 L161 Y164 L191 D195 Y207D160-L209 HydrophobicContact CB-CD1 3.9Å; L161-L209 HydrophobicContact CB-CD1 4.16Å; L161-L209 HydrophobicContact CD1-CD2 4.21Å; Y164-L209 HydrophobicContact CD1-CD2 3.82Å; Y164-L209 WeakPolarHBondContact CD2-O 3.32Å; Y164-L209 HydrophobicContact CE1-CD2 4.45Å; Y164-L209 HydrophobicContact CG-CD2 3.87Å; L191-L209 HydrophobicContact CB-CD2 3.76Å; L191-L209 HydrophobicContact CB-CG 4.2Å; D195-L209 WeakPolarHBondContact OD2-CB 3.27Å; D195-L209 WeakPolarHBondContact OD2-CG 3.47Å; D195-L209 PolarHBondContact OD2-N 3.11Å; Y207-L209 PolarHBondContact O-N 2.67Å
210R82.9Confident79.6Confident129 Ų12944.5 Ų44.549%0.48722%0.218SC..THydrogen-bonded Turntrans-99.9-36.2177.2-55.3-174-178.6-173.8-1.6112.3D160 W163 Y207 S208D160-R210 IonicContact OD1-CZ 3.73Å; D160-R210 IonicContact OD1-NE 2.74Å; D160-R210 IonicContact OD1-NH2 3.44Å; D160-R210 PolarHBondContact OD1-NH2 3.07Å; W163-R210 HydrophobicContact CH2-CG 4.48Å; W163-R210 HydrophobicContact CZ3-CG 4Å; Y207-R210 CarbonylContact O-C 3.6Å; Y207-R210 WeakPolarHBondContact O-CA 3.42Å; Y207-R210 PolarHBondContact O-N 2.86Å; S208-R210 PolarHBondContact O-N 3.29Å
211N78.2Confident78.6Confident88 Ų8847.8 Ų47.847%0.47123%0.234SC..  trans-133.9103.9178.1-179.26000109.8Y207 S208 Q213 S214Y207-N211 PolarHBondContact O-N 2.8Å; S208-N211 WeakPolarHBondContact CA-O 3.33Å; S208-N211 CarbonylContact O-C 3.28Å; N211-Q213 PolarHBondContact O-N 2.72Å; N211-Q213 PolarHBondContact OD1-N 3.42Å; N211-Q213 VanDerWaalsContact OD1-N 3.08Å; N211-S214 PolarHBondContact O-N 3.23Å
212T69.4Low78.1Confident88 Ų8851.2 Ų51.254%0.5425%0.252SS..THydrogen-bonded Turntrans-65.1-7.5-178.157.10000114L191 S208L191-T212 HydrophobicContact CD1-CG2 3.88Å; L191-T212 HydrophobicContact CD2-CG2 4.19Å; S208-T212 PolarHBondContact O-N 3.39Å
213Q69.1Low77.7Confident165 Ų16551.5 Ų51.577%0.77125%0.254SS*.THydrogen-bonded Turntrans-105.827.2177.5-61.6-170.4-10.900113.4N211N211-Q213 PolarHBondContact O-N 2.72Å; N211-Q213 PolarHBondContact OD1-N 3.42Å; N211-Q213 VanDerWaalsContact OD1-N 3.08Å
214S71.5Confident77.1Confident12 Ų1253.2 Ų53.28%0.08426%0.259CS..  trans-57.9139.2174.764.40000112S206 S208 N211 I216 G217 S218S206-S214 WeakPolarHBondContact O-CB 3.26Å; S208-S214 PolarHBondContact OG-OG 3.34Å; N211-S214 PolarHBondContact O-N 3.23Å; S214-I216 PolarHBondContact O-N 3.13Å; S214-G217 PolarHBondContact O-N 2.85Å; S214-G217 VanDerWaalsContact O-N 3.09Å; S214-G217 PolarHBondContact OG-N 2.82Å; S214-S218 PolarHBondContact O-N 2.85Å
215E74.5Confident76.5Confident117 Ų11757.1 Ų57.155%0.54727%0.271SS..Hα-helixtrans-57.5-43.3179.1-176.2-177.6-178.600112.7G217 S218 H219 F259E215-G217 PolarHBondContact O-N 3.29Å; E215-S218 PolarHBondContact O-N 2.78Å; E215-S218 PolarHBondContact O-OG 2.78Å; E215-H219 PolarHBondContact O-CD2 3.27Å; E215-H219 PolarHBondContact O-N 3.27Å; E215-H219 VanDerWaalsContact O-N 3.1Å; E215-F259 HydrophobicContact CG-CE2 3.86Å
216I72.9Confident75.9Confident18 Ų1859.5 Ų59.59%0.09229%0.293CS..Hα-helixtrans-58.6-51.4174.5-68.9163.5000109.4T194 A198 F202 L204 S214 S218 H219 C220 F259T194-I216 HydrophobicContact CG2-CG2 4.18Å; A198-I216 HydrophobicContact CB-CD1 4.24Å; A198-I216 HydrophobicContact CB-CG2 4.45Å; F202-I216 HydrophobicContact CE2-CG2 4.47Å; L204-I216 HydrophobicContact CB-CD1 4.38Å; L204-I216 HydrophobicContact CD1-CD1 4.05Å; S214-I216 PolarHBondContact O-N 3.13Å; I216-S218 VanDerWaalsContact C-N 3.33Å; I216-S218 PolarHBondContact O-N 2.96Å; I216-H219 PolarHBondContact O-N 2.73Å; I216-C220 WeakPolarHBondContact O-CB 3.42Å; I216-C220 PolarHBondContact O-N 3.09Å; I216-C220 PolarHBondContact O-SG 3.21Å; I216-F259 HydrophobicContact CB-CZ 4.43Å; I216-F259 HydrophobicContact CG1-CZ 3.79Å
217G69.9Low75.9Confident4 Ų462.4 Ų62.44%0.04131%0.308CS..Hα-helixtrans-58.4-39.3179.900000114.1S214 E215 Q221S214-G217 PolarHBondContact O-N 2.85Å; S214-G217 VanDerWaalsContact O-N 3.09Å; S214-G217 PolarHBondContact OG-N 2.82Å; E215-G217 PolarHBondContact O-N 3.29Å; G217-Q221 WeakPolarHBondContact O-CB 3.26Å; G217-Q221 WeakPolarHBondContact O-CG 3.29Å; G217-Q221 PolarHBondContact O-N 2.99Å
218S75.1Confident75.9Confident48 Ų4863 Ų6334%0.33632%0.322SS..Hα-helixtrans-67.3-45.7177.160.90000111.8S214 E215 I216 C220 Q221 D222S214-S218 PolarHBondContact O-N 2.85Å; E215-S218 PolarHBondContact O-N 2.78Å; E215-S218 PolarHBondContact O-OG 2.78Å; I216-S218 VanDerWaalsContact C-N 3.33Å; I216-S218 PolarHBondContact O-N 2.96Å; S218-C220 PolarHBondContact O-N 3.36Å; S218-Q221 PolarHBondContact O-N 3.25Å; S218-D222 WeakPolarHBondContact O-CB 3.44Å; S218-D222 VanDerWaalsContact O-CG 3.29Å; S218-D222 PolarHBondContact O-N 2.86Å
219H78.6Confident76.1Confident38 Ų3869.4 Ų69.418%0.17635%0.345CS..Hα-helixtrans-64.4-37.8177.2-83.9-71.9000113E215 I216 L223 H256 F259E215-H219 PolarHBondContact O-CD2 3.27Å; E215-H219 PolarHBondContact O-N 3.27Å; E215-H219 VanDerWaalsContact O-N 3.1Å; I216-H219 PolarHBondContact O-N 2.73Å; H219-L223 PolarHBondContact O-N 2.76Å; H219-H256 PolarHBondContact O-ND1 3.41Å; H219-H256 VanDerWaalsContact O-ND1 3.14Å; H219-F259 HydrophobicContact CB-CD1 3.8Å; H219-F259 HydrophobicContact CB-CE1 3.88Å; H219-F259 HydrophobicContact CB-CG 4.23Å; H219-F259 HydrophobicContact CB-CZ 4.37Å; H219-F259 AromaticContact CD2-CD2 3.48Å; H219-F259 VanDerWaalsContact CD2-CD2 3.48Å; H219-F259 WeakPolarHBondContact CD2-CD2 3.38Å; H219-F259 AromaticContact CD2-CE2 3.75Å; H219-F259 AromaticContact CD2-CG 3.68Å; H219-F259 AromaticContact CG-CD1 3.83Å; H219-F259 AromaticContact CG-CG 3.73Å; H219-F259 AromaticContact NE2-CD2 3.72Å; H219-F259 AromaticContact NE2-CG 3.95Å
220C71.1Confident76.2Confident2 Ų270.3 Ų70.31%0.01435%0.349CS..Hα-helixtrans-64.1-49174.4-63.50000110.8I216 S218 D222 L223 F224 E316 I320I216-C220 WeakPolarHBondContact O-CB 3.42Å; I216-C220 PolarHBondContact O-N 3.09Å; I216-C220 PolarHBondContact O-SG 3.21Å; S218-C220 PolarHBondContact O-N 3.36Å; C220-D222 VanDerWaalsContact C-N 3.34Å; C220-D222 PolarHBondContact O-N 2.66Å; C220-L223 WeakPolarHBondContact O-CB 3.4Å; C220-L223 PolarHBondContact O-N 3.49Å; C220-F224 WeakPolarHBondContact O-CD2 2.91Å; C220-E316 WeakPolarHBondContact CA-OE1 3Å; C220-E316 WeakPolarHBondContact CB-OE1 3.29Å; C220-E316 PolarHBondContact SG-OE1 3.25Å; C220-I320 HydrophobicContact CB-CD1 3.94Å
221Q70.9Confident76.4Confident71 Ų7167.2 Ų67.233%0.33234%0.341SS..Hα-helixtrans-62.9-40.1-179.8-74.5177.117.300112.2G217 S218 L223 F224 R225G217-Q221 WeakPolarHBondContact O-CB 3.26Å; G217-Q221 WeakPolarHBondContact O-CG 3.29Å; G217-Q221 PolarHBondContact O-N 2.99Å; S218-Q221 PolarHBondContact O-N 3.25Å; Q221-L223 PolarHBondContact O-N 2.87Å; Q221-F224 PolarHBondContact O-N 3.23Å; Q221-F224 VanDerWaalsContact O-N 3.08Å; Q221-R225 WeakPolarHBondContact O-CG 3.35Å; Q221-R225 PolarHBondContact O-N 3.49Å; Q221-R225 VanDerWaalsContact O-N 3.11Å
222D75.9Confident76.9Confident71 Ų7167.2 Ų67.238%0.3834%0.34SS..Hα-helixtrans-61.4-29.7179.7-79.4-17.2000113.1S218 C220 F224 R225S218-D222 WeakPolarHBondContact O-CB 3.44Å; S218-D222 VanDerWaalsContact O-CG 3.29Å; S218-D222 PolarHBondContact O-N 2.86Å; C220-D222 VanDerWaalsContact C-N 3.34Å; C220-D222 PolarHBondContact O-N 2.66Å; D222-F224 PolarHBondContact O-N 3.12Å; D222-R225 PolarHBondContact O-N 3.21Å; D222-R225 WeakPolarHBondContact OD1-CD 3.23Å; D222-R225 IonicContact OD1-CZ 3.58Å; D222-R225 IonicContact OD1-NE 3.61Å; D222-R225 IonicContact OD1-NH1 3.63Å; D222-R225 PolarHBondContact OD1-NH1 3.27Å
223L77.9Confident78Confident6 Ų663.6 Ų63.63%0.03132%0.318CS..Hα-helixtrans-64.2-30.4176.7-171.767.8000112.8H219 C220 Q221 R230 F252 V317H219-L223 PolarHBondContact O-N 2.76Å; C220-L223 WeakPolarHBondContact O-CB 3.4Å; C220-L223 PolarHBondContact O-N 3.49Å; Q221-L223 PolarHBondContact O-N 2.87Å; L223-R230 VanDerWaalsContact CD1-NH2 3.26Å; L223-F252 HydrophobicContact CD1-CD1 3.92Å; L223-F252 HydrophobicContact CD2-CD1 4.13Å; L223-F252 HydrophobicContact CD2-CE1 4.14Å; L223-V317 HydrophobicContact CD2-CG2 3.34Å
224F73.9Confident79Confident42 Ų4258 Ų5818%0.18429%0.293CS..Hα-helixtrans-98-12.3-178.7-61.3-70.9000113.7C220 Q221 D222 P226 V317 E321 F504C220-F224 WeakPolarHBondContact O-CD2 2.91Å; Q221-F224 PolarHBondContact O-N 3.23Å; Q221-F224 VanDerWaalsContact O-N 3.08Å; D222-F224 PolarHBondContact O-N 3.12Å; F224-P226 WeakPolarHBondContact O-CD 3.39Å; F224-V317 HydrophobicContact CE1-CG1 4.06Å; F224-V317 HydrophobicContact CZ-CB 4.38Å; F224-V317 HydrophobicContact CZ-CG1 3.98Å; F224-V317 HydrophobicContact CZ-CG2 4.43Å; F224-E321 HydrophobicContact CD1-CB 4.45Å; F224-E321 HydrophobicContact CD1-CG 4.42Å; F224-E321 HydrophobicContact CE1-CB 3.89Å; F224-E321 HydrophobicContact CE1-CG 4.25Å; F224-E321 HydrophobicContact CE2-CB 4.26Å; F224-E321 HydrophobicContact CZ-CB 3.78Å; F224-F504 HydrophobicContact CB-CZ 4.48Å; F224-F504 HydrophobicContact CD1-CE2 4.47Å; F224-F504 AromaticContact CD1-CZ 3.97Å; F224-F504 HydrophobicContact CD1-CZ 3.97Å
225R74.3Confident80Confident130 Ų13059 Ų5949%0.49130%0.296SS..SBendtrans-66122.5177.2-77.6178.2-173.2165.9-1.1110.6Q221 D222 N227Q221-R225 WeakPolarHBondContact O-CG 3.35Å; Q221-R225 PolarHBondContact O-N 3.49Å; Q221-R225 VanDerWaalsContact O-N 3.11Å; D222-R225 PolarHBondContact O-N 3.21Å; D222-R225 WeakPolarHBondContact OD1-CD 3.23Å; D222-R225 IonicContact OD1-CZ 3.58Å; D222-R225 IonicContact OD1-NE 3.61Å; D222-R225 IonicContact OD1-NH1 3.63Å; D222-R225 PolarHBondContact OD1-NH1 3.27Å; R225-N227 PolarHBondContact O-N 3.15Å
226P71.5Confident80.9Confident102 Ų10253.7 Ų53.766%0.66227%0.271SS*.  trans-68.4122.3177.527.4-32.6000109.5F224 I231F224-P226 WeakPolarHBondContact O-CD 3.39Å; P226-I231 HydrophobicContact CB-CD1 4.43Å
227N81.7Confident81.9Confident77 Ų7752.9 Ų52.941%0.41227%0.267SS..  trans-130157.3163.670.160000108.8R225 R229 R230 I231R225-N227 PolarHBondContact O-N 3.15Å; N227-R229 VanDerWaalsContact C-N 3.27Å; N227-R229 PolarHBondContact O-N 2.66Å; N227-R229 WeakPolarHBondContact OD1-CB 3.4Å; N227-R229 PolarHBondContact OD1-N 3.44Å; N227-R230 WeakPolarHBondContact O-CB 3.42Å; N227-R230 PolarHBondContact O-N 3.43Å; N227-R230 VanDerWaalsContact OD1-CB 3.27Å; N227-R230 WeakPolarHBondContact OD1-CB 3.31Å; N227-R230 PolarHBondContact OD1-N 3.03Å; N227-I231 WeakPolarHBondContact O-CG1 3.47Å; N227-I231 PolarHBondContact O-N 2.82Å
228V85.2Confident83Confident113 Ų11355.4 Ų55.469%0.68528%0.277SS*.Hα-helixtrans-57-41.9-173176.50000111.7R230 I231 I232V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 2.81Å; V228-I231 PolarHBondContact O-N 3.34Å; V228-I232 HydrophobicContact CG1-CD1 3.91Å; V228-I232 VanDerWaalsContact O-CG1 3.3Å; V228-I232 WeakPolarHBondContact O-CG1 3.33Å; V228-I232 PolarHBondContact O-N 2.68Å
229R88.7Confident83.9Confident135 Ų13554.9 Ų54.951%0.50927%0.268SS..Hα-helixtrans-61.5-43.9177.6177.665.5-160.7-1638.2111.3N227 I232 D233N227-R229 VanDerWaalsContact C-N 3.27Å; N227-R229 PolarHBondContact O-N 2.66Å; N227-R229 WeakPolarHBondContact OD1-CB 3.4Å; N227-R229 PolarHBondContact OD1-N 3.44Å; R229-I232 PolarHBondContact O-N 2.95Å; R229-D233 IonicContact CZ-OD1 3.27Å; R229-D233 VanDerWaalsContact CZ-OD1 3.27Å; R229-D233 IonicContact CZ-OD2 3.86Å; R229-D233 IonicContact NE-OD1 3.1Å; R229-D233 PolarHBondContact NE-OD1 3.4Å; R229-D233 VanDerWaalsContact NE-OD1 3.1Å; R229-D233 IonicContact NE-OD2 3.03Å; R229-D233 PolarHBondContact NE-OD2 2.84Å; R229-D233 IonicContact NH2-OD1 2.81Å; R229-D233 PolarHBondContact NH2-OD1 2.77Å; R229-D233 IonicContact NH2-OD2 3.77Å; R229-D233 WeakPolarHBondContact O-CB 3.28Å; R229-D233 PolarHBondContact O-N 3.28Å
230R87.3Confident84.6Confident21 Ų2154.5 Ų54.58%0.07927%0.267CS..Hα-helixtrans-63.3-44.4179-172.158.6166.8168.61.4111.8L223 N227 V228 I232 D233 L234 K250 L251L223-R230 VanDerWaalsContact CD1-NH2 3.26Å; N227-R230 WeakPolarHBondContact O-CB 3.42Å; N227-R230 PolarHBondContact O-N 3.43Å; N227-R230 VanDerWaalsContact OD1-CB 3.27Å; N227-R230 WeakPolarHBondContact OD1-CB 3.31Å; N227-R230 PolarHBondContact OD1-N 3.03Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 2.81Å; R230-I232 VanDerWaalsContact C-N 3.33Å; R230-I232 PolarHBondContact O-N 3.02Å; R230-D233 PolarHBondContact O-N 3.3Å; R230-L234 HydrophobicContact CG-CD1 4.19Å; R230-L234 HydrophobicContact CG-CG 4.49Å; R230-L234 WeakPolarHBondContact O-CB 3.49Å; R230-L234 VanDerWaalsContact O-CG 3.3Å; R230-L234 WeakPolarHBondContact O-CG 3.42Å; R230-L234 PolarHBondContact O-N 3.09Å; R230-K250 PolarHBondContact NH1-O 3.28Å; R230-L251 PolarHBondContact NH1-O 3.07Å; R230-L251 PolarHBondContact NH2-O 2.97Å
231I86.7Confident85.6Confident64 Ų6455 Ų5533%0.32827%0.27SS..Hα-helixtrans-59.7-46.7176-67168.9000109.8P226 N227 V228 F235P226-I231 HydrophobicContact CB-CD1 4.43Å; N227-I231 WeakPolarHBondContact O-CG1 3.47Å; N227-I231 PolarHBondContact O-N 2.82Å; V228-I231 PolarHBondContact O-N 3.34Å; I231-F235 WeakPolarHBondContact O-CB 3.33Å; I231-F235 PolarHBondContact O-N 2.9Å
232I90Very high86.6Confident87 Ų8758.2 Ų58.245%0.44628%0.283SS..Hα-helixtrans-61.6-47.8176.9-66.9166.2000111.1V228 R229 R230 F235 V236V228-I232 HydrophobicContact CG1-CD1 3.91Å; V228-I232 VanDerWaalsContact O-CG1 3.3Å; V228-I232 WeakPolarHBondContact O-CG1 3.33Å; V228-I232 PolarHBondContact O-N 2.68Å; R229-I232 PolarHBondContact O-N 2.95Å; R230-I232 VanDerWaalsContact C-N 3.33Å; R230-I232 PolarHBondContact O-N 3.02Å; I232-F235 PolarHBondContact O-N 3.37Å; I232-V236 HydrophobicContact CG2-CG2 4.44Å; I232-V236 WeakPolarHBondContact O-CG2 3.37Å; I232-V236 PolarHBondContact O-N 3.35Å
233D92Very high87.5Confident13 Ų1358.1 Ų58.17%0.0728%0.282CS..Hα-helixtrans-60.6-50.1-177.9-75.8-27.8000111.2R229 R230 F235 V236 I237 P249R229-D233 IonicContact CZ-OD1 3.27Å; R229-D233 VanDerWaalsContact CZ-OD1 3.27Å; R229-D233 IonicContact CZ-OD2 3.86Å; R229-D233 IonicContact NE-OD1 3.1Å; R229-D233 PolarHBondContact NE-OD1 3.4Å; R229-D233 VanDerWaalsContact NE-OD1 3.1Å; R229-D233 IonicContact NE-OD2 3.03Å; R229-D233 PolarHBondContact NE-OD2 2.84Å; R229-D233 IonicContact NH2-OD1 2.81Å; R229-D233 PolarHBondContact NH2-OD1 2.77Å; R229-D233 IonicContact NH2-OD2 3.77Å; R229-D233 WeakPolarHBondContact O-CB 3.28Å; R229-D233 PolarHBondContact O-N 3.28Å; R230-D233 PolarHBondContact O-N 3.3Å; D233-F235 VanDerWaalsContact C-N 3.33Å; D233-F235 PolarHBondContact O-N 3.18Å; D233-V236 PolarHBondContact O-N 3.04Å; D233-I237 WeakPolarHBondContact O-CD1 3.48Å; D233-I237 VanDerWaalsContact O-CG1 3.24Å; D233-I237 WeakPolarHBondContact O-CG1 3.43Å; D233-I237 PolarHBondContact O-N 3.46Å; D233-P249 HydrophobicContact CB-CB 3.82Å; D233-P249 WeakPolarHBondContact O-CB 3.27Å; D233-P249 VanDerWaalsContact OD1-CA 3.28Å; D233-P249 WeakPolarHBondContact OD1-CA 3.35Å; D233-P249 WeakPolarHBondContact OD1-CB 3.34Å
234L90.4Very high88.3Confident48 Ų4857.8 Ų57.825%0.25128%0.28SS..Hα-helixtrans-63.1-40.9176.8-63.7180000111.1R230 V236 I237 F238 L251R230-L234 HydrophobicContact CG-CD1 4.19Å; R230-L234 HydrophobicContact CG-CG 4.49Å; R230-L234 WeakPolarHBondContact O-CB 3.49Å; R230-L234 VanDerWaalsContact O-CG 3.3Å; R230-L234 WeakPolarHBondContact O-CG 3.42Å; R230-L234 PolarHBondContact O-N 3.09Å; L234-V236 VanDerWaalsContact C-N 3.33Å; L234-V236 PolarHBondContact O-N 2.84Å; L234-I237 PolarHBondContact O-N 3.48Å; L234-F238 HydrophobicContact CB-CD2 4.29Å; L234-F238 HydrophobicContact CB-CE2 4.44Å; L234-F238 HydrophobicContact CD2-CE2 4.2Å; L234-F238 WeakPolarHBondContact O-CD2 3.36Å; L234-F238 PolarHBondContact O-N 2.97Å; L234-L251 HydrophobicContact CD2-CD1 4Å
235F91.5Very high89.2Confident32 Ų3259 Ų5914%0.1429%0.292CS..Hα-helixtrans-59.8-43.7177.9-173.3-86.4000112.1L46 V49 L50 F80 I231 I232 D233 Y239 L240L46-F235 HydrophobicContact CD1-CZ 4.19Å; V49-F235 HydrophobicContact CG1-CE2 4.49Å; L50-F235 HydrophobicContact CD1-CZ 4.43Å; L50-F235 HydrophobicContact CD2-CD2 4.25Å; L50-F235 HydrophobicContact CD2-CE1 3.91Å; L50-F235 HydrophobicContact CD2-CE2 3.48Å; L50-F235 VanDerWaalsContact CD2-CE2 3.48Å; L50-F235 HydrophobicContact CD2-CZ 3.29Å; L50-F235 HydrophobicContact CG-CE2 4.01Å; L50-F235 HydrophobicContact CG-CZ 3.87Å; F80-F235 AromaticContact CE2-CE1 3.42Å; F80-F235 HydrophobicContact CE2-CE1 3.42Å; F80-F235 VanDerWaalsContact CE2-CE1 3.42Å; F80-F235 AromaticContact CE2-CZ 3.41Å; F80-F235 HydrophobicContact CE2-CZ 3.41Å; F80-F235 VanDerWaalsContact CE2-CZ 3.41Å; F80-F235 AromaticContact CZ-CE1 3.48Å; F80-F235 HydrophobicContact CZ-CE1 3.48Å; F80-F235 VanDerWaalsContact CZ-CE1 3.48Å; F80-F235 AromaticContact CZ-CZ 3.5Å; F80-F235 HydrophobicContact CZ-CZ 3.5Å; I231-F235 WeakPolarHBondContact O-CB 3.33Å; I231-F235 PolarHBondContact O-N 2.9Å; I232-F235 PolarHBondContact O-N 3.37Å; D233-F235 VanDerWaalsContact C-N 3.33Å; D233-F235 PolarHBondContact O-N 3.18Å; F235-Y239 HydrophobicContact CB-CD2 4.36Å; F235-Y239 HydrophobicContact CD1-CD2 4.4Å; F235-Y239 AromaticContact CD2-CD2 3.4Å; F235-Y239 HydrophobicContact CD2-CD2 3.4Å; F235-Y239 AromaticContact CD2-CE2 3.8Å; F235-Y239 HydrophobicContact CD2-CE2 3.8Å; F235-Y239 HydrophobicContact CD2-CG 4.43Å; F235-Y239 AromaticContact CE2-CD2 3.59Å; F235-Y239 HydrophobicContact CE2-CD2 3.59Å; F235-Y239 HydrophobicContact CE2-CE2 4.14Å; F235-Y239 HydrophobicContact CE2-CG 4.26Å; F235-Y239 AromaticContact CG-CD2 3.82Å; F235-Y239 HydrophobicContact CG-CD2 3.82Å; F235-Y239 HydrophobicContact CG-CE2 4.47Å; F235-Y239 HydrophobicContact CZ-CD2 4.17Å; F235-Y239 HydrophobicContact CZ-CG 4.5Å; F235-Y239 WeakPolarHBondContact O-CB 3.3Å; F235-Y239 WeakPolarHBondContact O-CD2 3.33Å; F235-Y239 PolarHBondContact O-N 2.79Å; F235-L240 HydrophobicContact CD1-CD1 4.34Å; F235-L240 HydrophobicContact CE1-CD1 3.87Å; F235-L240 HydrophobicContact CE1-CG 4.37Å
236V93.9Very high90.1Very high6 Ų659.2 Ų59.24%0.03630%0.302CS..Hα-helixtrans-65.2-43.8176.1176.60000111I232 D233 L234 F238 L240 L243 V244 L247 P249I232-V236 HydrophobicContact CG2-CG2 4.44Å; I232-V236 WeakPolarHBondContact O-CG2 3.37Å; I232-V236 PolarHBondContact O-N 3.35Å; D233-V236 PolarHBondContact O-N 3.04Å; L234-V236 VanDerWaalsContact C-N 3.33Å; L234-V236 PolarHBondContact O-N 2.84Å; V236-F238 PolarHBondContact O-N 3.44Å; V236-L240 CarbonylContact O-C 3.01Å; V236-L240 WeakPolarHBondContact O-CA 3.18Å; V236-L240 PolarHBondContact O-N 3.23Å; V236-L240 VanDerWaalsContact O-N 3.11Å; V236-L243 HydrophobicContact CG1-CB 4.35Å; V236-V244 HydrophobicContact CG1-CG2 3.97Å; V236-L247 HydrophobicContact CG1-CB 4.38Å; V236-L247 HydrophobicContact CG1-CD1 4.01Å; V236-L247 HydrophobicContact CG2-CD1 3.6Å; V236-P249 HydrophobicContact CB-CB 4.28Å; V236-P249 HydrophobicContact CB-CG 4.1Å; V236-P249 HydrophobicContact CG1-CB 4.46Å; V236-P249 HydrophobicContact CG1-CG 3.79Å
237I94.1Very high91.1Very high0 Ų058.5 Ų58.50%029%0.292CS..Hα-helixtrans-59.5-45.7180-72.9164.5000111.7A109 K110 L125 D233 L234 P249 L251A109-I237 WeakPolarHBondContact CA-O 3.31Å; A109-I237 HydrophobicContact CB-CG2 4.25Å; K110-I237 PolarHBondContact N-O 3.03Å; L125-I237 HydrophobicContact CD1-CG2 3.75Å; D233-I237 WeakPolarHBondContact O-CD1 3.48Å; D233-I237 VanDerWaalsContact O-CG1 3.24Å; D233-I237 WeakPolarHBondContact O-CG1 3.43Å; D233-I237 PolarHBondContact O-N 3.46Å; L234-I237 PolarHBondContact O-N 3.48Å; I237-P249 HydrophobicContact CD1-CB 4.15Å; I237-P249 HydrophobicContact CD1-CG 4.32Å; I237-P249 HydrophobicContact CG1-CB 3.98Å; I237-P249 HydrophobicContact CG1-CG 3.7Å; I237-L251 HydrophobicContact CD1-CB 4.11Å; I237-L251 HydrophobicContact CD1-CD1 4.46Å
238F92.8Very high91.7Very high57 Ų5761.4 Ų61.425%0.2530%0.298CS..Hα-helixtrans-88.6-37.1-173.1-73.3-73.3000114F108 A109 L234 V236F108-F238 VanDerWaalsContact CD1-O 3.31Å; F108-F238 WeakPolarHBondContact CD1-O 3.45Å; F108-F238 WeakPolarHBondContact CE1-O 3.14Å; A109-F238 HydrophobicContact CB-CD1 3.53Å; A109-F238 HydrophobicContact CB-CE1 3.84Å; A109-F238 HydrophobicContact CB-CG 4.31Å; L234-F238 HydrophobicContact CB-CD2 4.29Å; L234-F238 HydrophobicContact CB-CE2 4.44Å; L234-F238 HydrophobicContact CD2-CE2 4.2Å; L234-F238 WeakPolarHBondContact O-CD2 3.36Å; L234-F238 PolarHBondContact O-N 2.97Å; V236-F238 PolarHBondContact O-N 3.44Å
239Y92.9Very high92.1Very high38 Ų3856 Ų5615%0.14927%0.265CS..Hα-helixtrans-111.5-23.6-170.5-51.4-68.6000114.2L46 F56 L79 F235L46-Y239 HydrophobicContact CD1-CD1 4.44Å; L46-Y239 HydrophobicContact CD1-CG 4.31Å; L46-Y239 HydrophobicContact CD2-CD1 4.29Å; F56-Y239 HydrophobicContact CB-CE1 3.97Å; F56-Y239 WeakPolarHBondContact CB-OH 3.43Å; F56-Y239 AromaticContact CD1-CE1 3.6Å; F56-Y239 HydrophobicContact CD1-CE1 3.6Å; F56-Y239 HydrophobicContact CD2-CE1 4.21Å; F56-Y239 HydrophobicContact CE1-CE1 4.09Å; F56-Y239 AromaticContact CG-CE1 3.66Å; F56-Y239 HydrophobicContact CG-CE1 3.66Å; L79-Y239 HydrophobicContact CD1-CD1 4.48Å; L79-Y239 HydrophobicContact CD2-CD1 4.5Å; F235-Y239 HydrophobicContact CB-CD2 4.36Å; F235-Y239 HydrophobicContact CD1-CD2 4.4Å; F235-Y239 AromaticContact CD2-CD2 3.4Å; F235-Y239 HydrophobicContact CD2-CD2 3.4Å; F235-Y239 AromaticContact CD2-CE2 3.8Å; F235-Y239 HydrophobicContact CD2-CE2 3.8Å; F235-Y239 HydrophobicContact CD2-CG 4.43Å; F235-Y239 AromaticContact CE2-CD2 3.59Å; F235-Y239 HydrophobicContact CE2-CD2 3.59Å; F235-Y239 HydrophobicContact CE2-CE2 4.14Å; F235-Y239 HydrophobicContact CE2-CG 4.26Å; F235-Y239 AromaticContact CG-CD2 3.82Å; F235-Y239 HydrophobicContact CG-CD2 3.82Å; F235-Y239 HydrophobicContact CG-CE2 4.47Å; F235-Y239 HydrophobicContact CZ-CD2 4.17Å; F235-Y239 HydrophobicContact CZ-CG 4.5Å; F235-Y239 WeakPolarHBondContact O-CB 3.3Å; F235-Y239 WeakPolarHBondContact O-CD2 3.33Å; F235-Y239 PolarHBondContact O-N 2.79Å
240L93.1Very high92.3Very high30 Ų3052.3 Ų52.316%0.15725%0.253CS..  trans-127.350-178.6-66.5172000112.7F80 F235 V236 K242 L243F80-L240 HydrophobicContact CB-CD2 4.43Å; F80-L240 HydrophobicContact CD2-CD1 4.16Å; F80-L240 HydrophobicContact CD2-CD2 3.39Å; F80-L240 HydrophobicContact CD2-CG 3.86Å; F80-L240 HydrophobicContact CE2-CD1 3.63Å; F80-L240 HydrophobicContact CE2-CD2 3.74Å; F80-L240 HydrophobicContact CE2-CG 3.67Å; F80-L240 HydrophobicContact CG-CD2 3.99Å; F80-L240 HydrophobicContact CZ-CD1 3.93Å; F80-L240 HydrophobicContact CZ-CG 4.47Å; F235-L240 HydrophobicContact CD1-CD1 4.34Å; F235-L240 HydrophobicContact CE1-CD1 3.87Å; F235-L240 HydrophobicContact CE1-CG 4.37Å; V236-L240 CarbonylContact O-C 3.01Å; V236-L240 WeakPolarHBondContact O-CA 3.18Å; V236-L240 PolarHBondContact O-N 3.23Å; V236-L240 VanDerWaalsContact O-N 3.11Å; L240-K242 PolarHBondContact O-N 3.22Å; L240-L243 HydrophobicContact CB-CB 4.48Å; L240-L243 HydrophobicContact CB-CD1 4.19Å; L240-L243 HydrophobicContact CB-CG 4.33Å; L240-L243 HydrophobicContact CD1-CD1 3.99Å; L240-L243 PolarHBondContact O-N 3.46Å
241P93.3Very high92.4Very high11 Ų1152.2 Ų52.27%0.07125%0.254CS..THydrogen-bonded Turntrans-60.8-18-173.624.3-35.2000114.2F108 K110 L243 V244F108-P241 HydrophobicContact CD1-CG 4.05Å; F108-P241 HydrophobicContact CD2-CG 4.25Å; F108-P241 VanDerWaalsContact CE1-CD 3.48Å; F108-P241 HydrophobicContact CE1-CG 3.52Å; F108-P241 HydrophobicContact CE2-CG 3.74Å; F108-P241 HydrophobicContact CG-CG 4.39Å; F108-P241 HydrophobicContact CZ-CG 3.35Å; K110-P241 HydrophobicContact CB-CB 3.56Å; P241-L243 VanDerWaalsContact C-N 3.31Å; P241-V244 WeakPolarHBondContact O-CB 3.26Å; P241-V244 WeakPolarHBondContact O-CG2 3.34Å; P241-V244 PolarHBondContact O-N 3.41Å
242K92.1Very high92.5Very high139 Ų13949.4 Ų49.460%0.60424%0.239SC*.THydrogen-bonded Turntrans-69.4-25.7173.2-67.9-179.8-176165.50113.4L240L240-K242 PolarHBondContact O-N 3.22Å
243L93.7Very high92.4Very high69 Ų6947.2 Ų47.236%0.36123%0.23SC..THydrogen-bonded Turntrans-89.4-7.9178.5-59.3-174.6000113V236 L240 P241 L246 L247V236-L243 HydrophobicContact CG1-CB 4.35Å; L240-L243 HydrophobicContact CB-CB 4.48Å; L240-L243 HydrophobicContact CB-CD1 4.19Å; L240-L243 HydrophobicContact CB-CG 4.33Å; L240-L243 HydrophobicContact CD1-CD1 3.99Å; L240-L243 PolarHBondContact O-N 3.46Å; P241-L243 VanDerWaalsContact C-N 3.31Å; L243-L246 WeakPolarHBondContact O-CB 3.47Å; L243-L246 PolarHBondContact O-N 3.32Å; L243-L247 HydrophobicContact CB-CD1 3.91Å; L243-L247 HydrophobicContact CB-CG 4.27Å; L243-L247 HydrophobicContact CD1-CD1 4.2Å; L243-L247 PolarHBondContact O-N 2.91Å
244V95Very high92.2Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-52.2-47179.8168.10000112.9K110 D112 V236 P241 L246 R248 P249K110-V244 HydrophobicContact CB-CG2 4.47Å; K110-V244 HydrophobicContact CG-CG1 4.46Å; K110-V244 VanDerWaalsContact O-CG2 3.3Å; K110-V244 WeakPolarHBondContact O-CG2 3.49Å; D112-V244 HydrophobicContact CB-CG1 3.67Å; D112-V244 VanDerWaalsContact N-CG1 3.33Å; V236-V244 HydrophobicContact CG1-CG2 3.97Å; P241-V244 WeakPolarHBondContact O-CB 3.26Å; P241-V244 WeakPolarHBondContact O-CG2 3.34Å; P241-V244 PolarHBondContact O-N 3.41Å; V244-L246 PolarHBondContact O-N 3.07Å; V244-L246 VanDerWaalsContact O-N 3.16Å; V244-R248 WeakPolarHBondContact O-CA 3.38Å; V244-R248 PolarHBondContact O-N 2.76Å; V244-P249 HydrophobicContact CB-CG 4.45Å; V244-P249 HydrophobicContact CG1-CG 4.3Å; V244-P249 HydrophobicContact CG2-CG 4.02Å; V244-P249 WeakPolarHBondContact O-CD 3.24Å
245P92.3Very high92.1Very high66 Ų6650.8 Ų50.843%0.42925%0.252SS..Hα-helixtrans-63.3-24.3179.1-22.334.9000114.2
246L93.2Very high91.9Very high135 Ų13549.3 Ų49.371%0.70725%0.245SC*.Hα-helixtrans-87.5-50.7-179.2178.263.8000111.4L243 V244L243-L246 WeakPolarHBondContact O-CB 3.47Å; L243-L246 PolarHBondContact O-N 3.32Å; V244-L246 PolarHBondContact O-N 3.07Å; V244-L246 VanDerWaalsContact O-N 3.16Å
247L93.8Very high91.8Very high87 Ų8749.1 Ų49.146%0.45524%0.244SC..Hα-helixtrans-85.9-17.3-173.8-62.2178.5000113.5V236 L243V236-L247 HydrophobicContact CG1-CB 4.38Å; V236-L247 HydrophobicContact CG1-CD1 4.01Å; V236-L247 HydrophobicContact CG2-CD1 3.6Å; L243-L247 HydrophobicContact CB-CD1 3.91Å; L243-L247 HydrophobicContact CB-CG 4.27Å; L243-L247 HydrophobicContact CD1-CD1 4.2Å; L243-L247 PolarHBondContact O-N 2.91Å
248R93.8Very high91.7Very high138 Ų13853.6 Ų53.652%0.52127%0.265SS..  trans48.352.6177.7-63.6-175.1-172.2173.13.3113.4S115 V244S115-R248 WeakPolarHBondContact OG-CB 3.43Å; V244-R248 WeakPolarHBondContact O-CA 3.38Å; V244-R248 PolarHBondContact O-N 2.76Å
249P93.8Very high91.5Very high0 Ų051 Ų510%025%0.254CS..  trans-66.8154.2177.333.6-38.3000110.8D233 V236 I237 V244D233-P249 HydrophobicContact CB-CB 3.82Å; D233-P249 WeakPolarHBondContact O-CB 3.27Å; D233-P249 VanDerWaalsContact OD1-CA 3.28Å; D233-P249 WeakPolarHBondContact OD1-CA 3.35Å; D233-P249 WeakPolarHBondContact OD1-CB 3.34Å; V236-P249 HydrophobicContact CB-CB 4.28Å; V236-P249 HydrophobicContact CB-CG 4.1Å; V236-P249 HydrophobicContact CG1-CB 4.46Å; V236-P249 HydrophobicContact CG1-CG 3.79Å; I237-P249 HydrophobicContact CD1-CB 4.15Å; I237-P249 HydrophobicContact CD1-CG 4.32Å; I237-P249 HydrophobicContact CG1-CB 3.98Å; I237-P249 HydrophobicContact CG1-CG 3.7Å; V244-P249 HydrophobicContact CB-CG 4.45Å; V244-P249 HydrophobicContact CG1-CG 4.3Å; V244-P249 HydrophobicContact CG2-CG 4.02Å; V244-P249 WeakPolarHBondContact O-CD 3.24Å
250K91.7Very high91.4Very high57 Ų5749.1 Ų49.125%0.24825%0.247CC..  trans-116.5126178.2-56.8-170.9173.9-177.10111.8D116 R230 F252 E254D116-K250 HydrophobicContact CB-CB 4.36Å; D116-K250 HydrophobicContact CB-CG 4.28Å; R230-K250 PolarHBondContact NH1-O 3.28Å; K250-F252 VanDerWaalsContact CB-O 3.32Å; K250-F252 WeakPolarHBondContact CB-O 3.43Å; K250-E254 IonicContact NZ-OE2 3.73Å; K250-E254 PolarHBondContact NZ-OE2 2.77Å
251L91.2Very high91.4Very high20 Ų2050 Ų5011%0.10525%0.248CC..SBendtrans-72.5-33.2171.2-176.472.7000111.5C111 D116 L125 R230 L234 I237C111-L251 VanDerWaalsContact SG-CB 3.55Å; D116-L251 VanDerWaalsContact OD2-CB 3.3Å; D116-L251 WeakPolarHBondContact OD2-CB 3.45Å; D116-L251 PolarHBondContact OD2-N 3.23Å; L125-L251 HydrophobicContact CD1-CD1 4.03Å; L125-L251 HydrophobicContact CD1-CD2 3.84Å; L125-L251 HydrophobicContact CD1-CG 4.44Å; L125-L251 HydrophobicContact CG-CD2 4.42Å; R230-L251 PolarHBondContact NH1-O 3.07Å; R230-L251 PolarHBondContact NH2-O 2.97Å; L234-L251 HydrophobicContact CD2-CD1 4Å; I237-L251 HydrophobicContact CD1-CB 4.11Å; I237-L251 HydrophobicContact CD1-CD1 4.46Å
252F88.8Confident91.3Very high5 Ų555.9 Ų55.92%0.02227%0.268CS..SBendtrans-113130.6169.4-61.4-74.9000108.6M118 L223 K250 H256 A257 A313 V317M118-F252 HydrophobicContact CB-CD2 4.21Å; M118-F252 HydrophobicContact CG-CD2 3.72Å; M118-F252 HydrophobicContact CG-CE2 4.12Å; M118-F252 HydrophobicContact CG-CG 4.42Å; M118-F252 HydrophobicContact SD-CB 4.1Å; M118-F252 HydrophobicContact SD-CD2 3.93Å; M118-F252 HydrophobicContact SD-CG 4.03Å; L223-F252 HydrophobicContact CD1-CD1 3.92Å; L223-F252 HydrophobicContact CD2-CD1 4.13Å; L223-F252 HydrophobicContact CD2-CE1 4.14Å; K250-F252 VanDerWaalsContact CB-O 3.32Å; K250-F252 WeakPolarHBondContact CB-O 3.43Å; F252-H256 AromaticContact CD1-CD2 3.94Å; F252-A257 HydrophobicContact CB-CB 4.42Å; F252-A313 HydrophobicContact CD1-CB 4.24Å; F252-A313 HydrophobicContact CE1-CB 3.63Å; F252-A313 HydrophobicContact CE2-CB 3.99Å; F252-A313 HydrophobicContact CZ-CB 3.49Å; F252-A313 VanDerWaalsContact CZ-CB 3.49Å; F252-V317 HydrophobicContact CE1-CG2 3.79Å; F252-V317 HydrophobicContact CZ-CG2 4.46Å
253T87.5Confident91.2Very high41 Ų4150.2 Ų50.225%0.25225%0.245SC..  trans-62.7148176.161.70000108.7H256 A257T253-H256 PolarHBondContact O-N 2.87Å; T253-H256 VanDerWaalsContact O-N 3.16Å; T253-H256 VanDerWaalsContact OG1-CB 3.26Å; T253-H256 WeakPolarHBondContact OG1-CB 3.27Å; T253-A257 WeakPolarHBondContact O-CB 3.44Å; T253-A257 PolarHBondContact O-N 2.97Å
254E87.7Confident91.1Very high55 Ų5547.1 Ų47.126%0.25723%0.229SC..Hα-helixtrans-57.9-43.4-178-163.364-137.400113K250 H256 A257 E258 R261K250-E254 IonicContact NZ-OE2 3.73Å; K250-E254 PolarHBondContact NZ-OE2 2.77Å; E254-H256 VanDerWaalsContact C-N 3.27Å; E254-H256 PolarHBondContact O-N 3.19Å; E254-A257 PolarHBondContact O-N 3.23Å; E254-E258 HydrophobicContact CG-CG 4.3Å; E254-E258 WeakPolarHBondContact O-CB 3.12Å; E254-E258 WeakPolarHBondContact O-CG 3.33Å; E254-E258 PolarHBondContact O-N 2.61Å; E254-R261 IonicContact OE1-CZ 2.84Å; E254-R261 IonicContact OE1-NH1 3.93Å; E254-R261 PolarHBondContact OE1-NH1 3.1Å; E254-R261 IonicContact OE1-NH2 3.57Å
255P87.9Confident90.9Very high80 Ų8051.9 Ų51.952%0.51925%0.252SS..Hα-helixtrans-59-38.9177.5-25.535.9000113.1F259P255-F259 WeakPolarHBondContact O-CB 3.38Å; P255-F259 PolarHBondContact O-N 3.3Å
256H88.2Confident90.9Very high2 Ų253.2 Ų53.21%0.00925%0.254CS..Hα-helixtrans-71.7-41.1177.7-177.982.1000111.6H219 F252 T253 E254 E258 F259 L260 E316H219-H256 PolarHBondContact O-ND1 3.41Å; H219-H256 VanDerWaalsContact O-ND1 3.14Å; F252-H256 AromaticContact CD1-CD2 3.94Å; T253-H256 PolarHBondContact O-N 2.87Å; T253-H256 VanDerWaalsContact O-N 3.16Å; T253-H256 VanDerWaalsContact OG1-CB 3.26Å; T253-H256 WeakPolarHBondContact OG1-CB 3.27Å; E254-H256 VanDerWaalsContact C-N 3.27Å; E254-H256 PolarHBondContact O-N 3.19Å; H256-E258 PolarHBondContact O-N 3.1Å; H256-F259 WeakPolarHBondContact O-CB 3.39Å; H256-F259 PolarHBondContact O-N 2.9Å; H256-L260 VanDerWaalsContact NE2-CD1 3.34Å; H256-L260 WeakPolarHBondContact NE2-CD1 3.42Å; H256-L260 PolarHBondContact O-N 2.54Å; H256-E316 IonicContact CE1-OE1 3.87Å; H256-E316 PolarHBondContact CE1-OE1 3.11Å; H256-E316 IonicContact CE1-OE2 3.76Å; H256-E316 PolarHBondContact CE1-OE2 3.35Å; H256-E316 IonicContact NE2-OE1 3.83Å; H256-E316 IonicContact NE2-OE2 3.75Å
257A90.5Very high90.7Very high2 Ų246.9 Ų46.92%0.01722%0.222CC..Hα-helixtrans-62.5-42.3175.600000112M118 F252 T253 E254 R261M118-A257 HydrophobicContact CE-CB 3.69Å; M118-A257 WeakPolarHBondContact CE-O 3.45Å; M118-A257 HydrophobicContact SD-CB 3.79Å; F252-A257 HydrophobicContact CB-CB 4.42Å; T253-A257 WeakPolarHBondContact O-CB 3.44Å; T253-A257 PolarHBondContact O-N 2.97Å; E254-A257 PolarHBondContact O-N 3.23Å; A257-R261 VanDerWaalsContact O-CG 3.23Å; A257-R261 WeakPolarHBondContact O-CG 3.39Å; A257-R261 PolarHBondContact O-N 3.38Å
258E91.6Very high90.4Very high93 Ų9342.9 Ų42.944%0.43520%0.2SC..Hα-helixtrans-64.3-42.8174.5-72.8177.8172.400112.4E254 H256 R261 R262E254-E258 HydrophobicContact CG-CG 4.3Å; E254-E258 WeakPolarHBondContact O-CB 3.12Å; E254-E258 WeakPolarHBondContact O-CG 3.33Å; E254-E258 PolarHBondContact O-N 2.61Å; H256-E258 PolarHBondContact O-N 3.1Å; E258-R261 PolarHBondContact O-N 2.94Å; E258-R262 WeakPolarHBondContact O-CG 3.49Å; E258-R262 PolarHBondContact O-N 2.85Å; E258-R262 VanDerWaalsContact O-N 3.09Å
259F90.2Very high90.2Very high2 Ų239.3 Ų39.31%0.00919%0.19CC..Hα-helixtrans-55.7-53.1173.8167.7-102.4000111.4E215 I216 H219 P255 H256 R261 R262 V263E215-F259 HydrophobicContact CG-CE2 3.86Å; I216-F259 HydrophobicContact CB-CZ 4.43Å; I216-F259 HydrophobicContact CG1-CZ 3.79Å; H219-F259 HydrophobicContact CB-CD1 3.8Å; H219-F259 HydrophobicContact CB-CE1 3.88Å; H219-F259 HydrophobicContact CB-CG 4.23Å; H219-F259 HydrophobicContact CB-CZ 4.37Å; H219-F259 AromaticContact CD2-CD2 3.48Å; H219-F259 VanDerWaalsContact CD2-CD2 3.48Å; H219-F259 WeakPolarHBondContact CD2-CD2 3.38Å; H219-F259 AromaticContact CD2-CE2 3.75Å; H219-F259 AromaticContact CD2-CG 3.68Å; H219-F259 AromaticContact CG-CD1 3.83Å; H219-F259 AromaticContact CG-CG 3.73Å; H219-F259 AromaticContact NE2-CD2 3.72Å; H219-F259 AromaticContact NE2-CG 3.95Å; P255-F259 WeakPolarHBondContact O-CB 3.38Å; P255-F259 PolarHBondContact O-N 3.3Å; H256-F259 WeakPolarHBondContact O-CB 3.39Å; H256-F259 PolarHBondContact O-N 2.9Å; F259-R261 VanDerWaalsContact C-N 3.34Å; F259-R261 PolarHBondContact O-N 3.42Å; F259-R262 PolarHBondContact O-N 2.86Å; F259-R262 VanDerWaalsContact O-N 3.14Å; F259-V263 HydrophobicContact CD2-CG2 4.05Å; F259-V263 HydrophobicContact CE1-CG2 4.18Å; F259-V263 HydrophobicContact CE2-CG2 3.58Å; F259-V263 HydrophobicContact CZ-CG2 3.67Å; F259-V263 WeakPolarHBondContact O-CG2 3.34Å; F259-V263 PolarHBondContact O-N 3Å
260L90.6Very high89.9Confident0 Ų044.2 Ų44.20%021%0.213CC..Hα-helixtrans-63-37.8179.9-75.8-176.9000113.2F202 H256 R262 V263 I264 A313 E316F202-L260 HydrophobicContact CE1-CD2 4.27Å; F202-L260 HydrophobicContact CZ-CD2 3.92Å; H256-L260 VanDerWaalsContact NE2-CD1 3.34Å; H256-L260 WeakPolarHBondContact NE2-CD1 3.42Å; H256-L260 PolarHBondContact O-N 2.54Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.47Å; L260-V263 PolarHBondContact O-N 3.26Å; L260-I264 WeakPolarHBondContact O-CB 3.11Å; L260-I264 VanDerWaalsContact O-CG1 3.27Å; L260-I264 WeakPolarHBondContact O-CG1 3.44Å; L260-I264 PolarHBondContact O-N 3.35Å; L260-A313 HydrophobicContact CD1-CB 3.4Å; L260-A313 VanDerWaalsContact CD1-CB 3.4Å; L260-E316 WeakPolarHBondContact CD2-OE2 3.36Å
261R92.1Very high89.7Confident48 Ų4843.1 Ų43.118%0.18121%0.207CC..Hα-helixtrans-57.6-47.4173.6-73.5168.3-167.8130.6-1.6111.2M118 E254 A257 E258 F259 Q265 D306 A309M118-R261 HydrophobicContact CE-CG 4.11Å; E254-R261 IonicContact OE1-CZ 2.84Å; E254-R261 IonicContact OE1-NH1 3.93Å; E254-R261 PolarHBondContact OE1-NH1 3.1Å; E254-R261 IonicContact OE1-NH2 3.57Å; A257-R261 VanDerWaalsContact O-CG 3.23Å; A257-R261 WeakPolarHBondContact O-CG 3.39Å; A257-R261 PolarHBondContact O-N 3.38Å; E258-R261 PolarHBondContact O-N 2.94Å; F259-R261 VanDerWaalsContact C-N 3.34Å; F259-R261 PolarHBondContact O-N 3.42Å; R261-Q265 WeakPolarHBondContact O-CB 3.26Å; R261-Q265 PolarHBondContact O-N 3.25Å; R261-D306 IonicContact CZ-OD1 3.63Å; R261-D306 IonicContact NE-OD1 2.76Å; R261-D306 PolarHBondContact NE-OD1 3.44Å; R261-D306 IonicContact NH2-OD1 3.58Å; R261-D306 PolarHBondContact NH2-OD1 3.39Å; R261-D306 IonicContact NH2-OD2 2.63Å; R261-D306 PolarHBondContact NH2-OD2 2.86Å; R261-D306 VanDerWaalsContact NH2-OD2 3.09Å; R261-A309 HydrophobicContact CG-CB 4.2Å
262R92.8Very high89.4Confident134 Ų13447.2 Ų47.251%0.50623%0.225SC..Hα-helixtrans-63.9-49.1-179.9-68.9-168.9-53.2-90.82.6111.6E258 F259 L260 Q265 L266E258-R262 WeakPolarHBondContact O-CG 3.49Å; E258-R262 PolarHBondContact O-N 2.85Å; E258-R262 VanDerWaalsContact O-N 3.09Å; F259-R262 PolarHBondContact O-N 2.86Å; F259-R262 VanDerWaalsContact O-N 3.14Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.47Å; R262-Q265 PolarHBondContact O-N 3.01Å; R262-L266 WeakPolarHBondContact O-CB 3.39Å; R262-L266 PolarHBondContact O-N 2.93Å
263V90Very high89.3Confident20 Ų2056.2 Ų56.212%0.12126%0.259CS..Hα-helixtrans-61.3-48.9-178.1171.50000111.2L204 F259 L260 Q265 L266 V267L204-V263 HydrophobicContact CD1-CG1 3.64Å; F259-V263 HydrophobicContact CD2-CG2 4.05Å; F259-V263 HydrophobicContact CE1-CG2 4.18Å; F259-V263 HydrophobicContact CE2-CG2 3.58Å; F259-V263 HydrophobicContact CZ-CG2 3.67Å; F259-V263 WeakPolarHBondContact O-CG2 3.34Å; F259-V263 PolarHBondContact O-N 3Å; L260-V263 PolarHBondContact O-N 3.26Å; V263-Q265 PolarHBondContact O-N 2.84Å; V263-L266 PolarHBondContact O-N 3.42Å; V263-V267 HydrophobicContact CG1-CG2 4.39Å; V263-V267 WeakPolarHBondContact O-CB 3.11Å; V263-V267 VanDerWaalsContact O-CG2 3.28Å; V263-V267 WeakPolarHBondContact O-CG2 3.35Å; V263-V267 PolarHBondContact O-N 3.22Å
264I91.2Very high88.9Confident4 Ų456.8 Ų56.82%0.02127%0.273CS..Hα-helixtrans-66.9-38.9-178.5-64.7-57.1000111.6F202 L260 I268 I282 L285 L308 A312F202-I264 HydrophobicContact CD1-CD1 3.89Å; F202-I264 HydrophobicContact CE1-CD1 4.37Å; L260-I264 WeakPolarHBondContact O-CB 3.11Å; L260-I264 VanDerWaalsContact O-CG1 3.27Å; L260-I264 WeakPolarHBondContact O-CG1 3.44Å; L260-I264 PolarHBondContact O-N 3.35Å; I264-I268 HydrophobicContact CG2-CD1 3.69Å; I264-I268 HydrophobicContact CG2-CG1 4.37Å; I264-I268 WeakPolarHBondContact O-CB 3.42Å; I264-I268 VanDerWaalsContact O-CG1 3.25Å; I264-I268 WeakPolarHBondContact O-CG1 3.42Å; I264-I268 PolarHBondContact O-N 2.82Å; I264-I282 HydrophobicContact CD1-CD1 3.97Å; I264-L285 HydrophobicContact CD1-CD1 3.98Å; I264-L285 HydrophobicContact CG2-CD1 4.1Å; I264-L308 HydrophobicContact CG2-CB 4.14Å; I264-A312 HydrophobicContact CD1-CB 3.48Å; I264-A312 VanDerWaalsContact CD1-CB 3.48Å; I264-A312 HydrophobicContact CG1-CB 3.59Å
265Q91Very high88.3Confident101 Ų10157 Ų5747%0.47229%0.29SS..Hα-helixtrans-62.3-48.5175.4-174.862.532.500111.3R261 R262 V263 V267 I268 E269R261-Q265 WeakPolarHBondContact O-CB 3.26Å; R261-Q265 PolarHBondContact O-N 3.25Å; R262-Q265 PolarHBondContact O-N 3.01Å; V263-Q265 PolarHBondContact O-N 2.84Å; Q265-V267 PolarHBondContact O-N 3.49Å; Q265-I268 PolarHBondContact O-N 2.78Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.5Å; Q265-E269 PolarHBondContact NE2-OE1 3.32Å; Q265-E269 WeakPolarHBondContact O-CG 3.35Å; Q265-E269 PolarHBondContact O-N 2.88Å
266L90.8Very high87.7Confident93 Ų9358.7 Ų58.749%0.48730%0.295SS..Hα-helixtrans-58.1-50.8179178.767.4000111.4R262 V263 I268 E269 E270R262-L266 WeakPolarHBondContact O-CB 3.39Å; R262-L266 PolarHBondContact O-N 2.93Å; V263-L266 PolarHBondContact O-N 3.42Å; L266-I268 VanDerWaalsContact C-N 3.35Å; L266-I268 PolarHBondContact O-N 2.85Å; L266-E269 PolarHBondContact O-N 2.88Å; L266-E270 WeakPolarHBondContact O-CG 3.41Å; L266-E270 PolarHBondContact O-N 3.18Å
267V89.8Confident87Confident3 Ų365.4 Ų65.42%0.01833%0.33CS..Hα-helixtrans-63.5-40.9-178.1171.60000111.4F202 L204 V263 Q265 E270 R271 I282F202-V267 WeakPolarHBondContact O-CG1 3.39Å; L204-V267 HydrophobicContact CD1-CG2 3.97Å; L204-V267 HydrophobicContact CD2-CG2 3.84Å; L204-V267 HydrophobicContact CG-CG2 3.92Å; V263-V267 HydrophobicContact CG1-CG2 4.39Å; V263-V267 WeakPolarHBondContact O-CB 3.11Å; V263-V267 VanDerWaalsContact O-CG2 3.28Å; V263-V267 WeakPolarHBondContact O-CG2 3.35Å; V263-V267 PolarHBondContact O-N 3.22Å; Q265-V267 PolarHBondContact O-N 3.49Å; V267-E270 PolarHBondContact O-N 3.09Å; V267-R271 HydrophobicContact CG1-CG 4.41Å; V267-R271 WeakPolarHBondContact O-CG 3.21Å; V267-R271 PolarHBondContact O-N 3.18Å; V267-I282 HydrophobicContact CG1-CB 4.39Å; V267-I282 HydrophobicContact CG1-CD1 3.85Å; V267-I282 HydrophobicContact CG1-CG1 3.78Å; V267-I282 HydrophobicContact CG1-CG2 3.82Å
268I88Confident86.6Confident2 Ų268.3 Ų68.31%0.0134%0.34CS..Hα-helixtrans-61.9-47.1176.4-76.7173.8000110.8I264 Q265 L266 E270 R271 E272 L286 K289 L308I264-I268 HydrophobicContact CG2-CD1 3.69Å; I264-I268 HydrophobicContact CG2-CG1 4.37Å; I264-I268 WeakPolarHBondContact O-CB 3.42Å; I264-I268 VanDerWaalsContact O-CG1 3.25Å; I264-I268 WeakPolarHBondContact O-CG1 3.42Å; I264-I268 PolarHBondContact O-N 2.82Å; Q265-I268 PolarHBondContact O-N 2.78Å; L266-I268 VanDerWaalsContact C-N 3.35Å; L266-I268 PolarHBondContact O-N 2.85Å; I268-E270 VanDerWaalsContact C-N 3.35Å; I268-E270 PolarHBondContact O-N 3.03Å; I268-R271 PolarHBondContact O-N 3.12Å; I268-E272 HydrophobicContact CG2-CG 4.5Å; I268-E272 WeakPolarHBondContact O-CG 3.37Å; I268-E272 PolarHBondContact O-N 3.16Å; I268-L286 HydrophobicContact CB-CD2 4.19Å; I268-L286 HydrophobicContact CG1-CD2 4.02Å; I268-L286 HydrophobicContact CG2-CD2 3.77Å; I268-K289 HydrophobicContact CG2-CD 4.05Å; I268-L308 HydrophobicContact CD1-CD1 3.52Å
269E89.5Confident86.2Confident63 Ų6366.6 Ų66.629%0.29433%0.334SS..Hα-helixtrans-62-41.1179.3-73.9178.4-159.900112.4Q265 L266 E272 R273Q265-E269 WeakPolarHBondContact CG-OE1 3.5Å; Q265-E269 PolarHBondContact NE2-OE1 3.32Å; Q265-E269 WeakPolarHBondContact O-CG 3.35Å; Q265-E269 PolarHBondContact O-N 2.88Å; L266-E269 PolarHBondContact O-N 2.88Å; E269-E272 PolarHBondContact O-N 3Å; E269-R273 VanDerWaalsContact O-CG 3.29Å; E269-R273 WeakPolarHBondContact O-CG 3.43Å; E269-R273 PolarHBondContact O-N 3.12Å; E269-R273 IonicContact OE2-NH2 2.69Å; E269-R273 PolarHBondContact OE2-NH2 3.31Å
270E87.8Confident86.1Confident104 Ų10466.5 Ų66.549%0.48633%0.334SS..Hα-helixtrans-62.6-43.5176.2-74.6179.6163.400111.8L266 V267 I268 R273 G274L266-E270 WeakPolarHBondContact O-CG 3.41Å; L266-E270 PolarHBondContact O-N 3.18Å; V267-E270 PolarHBondContact O-N 3.09Å; I268-E270 VanDerWaalsContact C-N 3.35Å; I268-E270 PolarHBondContact O-N 3.03Å; E270-R273 PolarHBondContact O-N 2.95Å; E270-G274 PolarHBondContact O-N 3.08Å
271R86.1Confident86Confident33 Ų3366.8 Ų66.813%0.12534%0.335CS..Hα-helixtrans-66.4-40178.4-66.4-70.3-178.2172.35112.5V267 I268 R273 G275 D276 R278 D280 I282 L286V267-R271 HydrophobicContact CG1-CG 4.41Å; V267-R271 WeakPolarHBondContact O-CG 3.21Å; V267-R271 PolarHBondContact O-N 3.18Å; I268-R271 PolarHBondContact O-N 3.12Å; R271-R273 VanDerWaalsContact C-N 3.28Å; R271-R273 PolarHBondContact O-N 2.9Å; R271-G275 PolarHBondContact O-N 3.24Å; R271-D276 WeakPolarHBondContact CD-O 3.4Å; R271-D276 PolarHBondContact NH1-O 3.2Å; R271-R278 VanDerWaalsContact NH2-CD 3.31Å; R271-D280 IonicContact CZ-OD2 3.61Å; R271-D280 IonicContact NH2-OD2 3.87Å; R271-D280 PolarHBondContact NH2-OD2 3.32Å; R271-I282 HydrophobicContact CG-CG2 4.11Å; R271-L286 HydrophobicContact CB-CD1 3.76Å; R271-L286 HydrophobicContact CG-CD1 4.3Å
272E84.9Confident85.8Confident106 Ų10664.5 Ų64.550%0.49533%0.327SS..Hα-helixtrans-65.7-32176.1-73.1-178.3151.800111.9I268 E269 L286 K289I268-E272 HydrophobicContact CG2-CG 4.5Å; I268-E272 WeakPolarHBondContact O-CG 3.37Å; I268-E272 PolarHBondContact O-N 3.16Å; E269-E272 PolarHBondContact O-N 3Å; E272-L286 HydrophobicContact CG-CD2 4.08Å; E272-K289 WeakPolarHBondContact OE1-CE 3.3Å
273R87.3Confident85.5Confident195 Ų19559.5 Ų59.574%0.73631%0.309SS*.Hα-helixtrans-77.9-42.5175.7-71.3175.7-170.3153.613.7113.4E269 E270 R271E269-R273 VanDerWaalsContact O-CG 3.29Å; E269-R273 WeakPolarHBondContact O-CG 3.43Å; E269-R273 PolarHBondContact O-N 3.12Å; E269-R273 IonicContact OE2-NH2 2.69Å; E269-R273 PolarHBondContact OE2-NH2 3.31Å; E270-R273 PolarHBondContact O-N 2.95Å; R271-R273 VanDerWaalsContact C-N 3.28Å; R271-R273 PolarHBondContact O-N 2.9Å
274G80.1Confident85.4Confident52 Ų5259.3 Ų59.354%0.53631%0.307SS..Hα-helixtrans-90.7-27.3-171.400000115E270 D276E270-G274 PolarHBondContact O-N 3.08Å; G274-D276 PolarHBondContact O-N 3.43Å
275G74.8Confident85.2Confident59 Ų5959.1 Ų59.161%0.60831%0.306SS*.  trans72.88.6-174.700000114.7R271 L277R271-G275 PolarHBondContact O-N 3.24Å; G275-L277 PolarHBondContact O-N 3.48Å
276D73.8Confident85.1Confident117 Ų11755.5 Ų55.563%0.62629%0.29SS*.  trans-66.5115.1-178.3-78.3-19000111.8R271 G274R271-D276 WeakPolarHBondContact CD-O 3.4Å; R271-D276 PolarHBondContact NH1-O 3.2Å; G274-D276 PolarHBondContact O-N 3.43Å
277L73.6Confident84.9Confident142 Ų14254.1 Ų54.174%0.74329%0.285SS*.  trans-89.2119.8167.3-64.4171.1000108.9G275 E283G275-L277 PolarHBondContact O-N 3.48Å; L277-E283 WeakPolarHBondContact CA-OE1 3.42Å; L277-E283 HydrophobicContact CD2-CG 4.35Å
278R82.1Confident84.9Confident64 Ų6454 Ų5424%0.24229%0.285CS..  trans-112-1.7179.4-170.9177.4-177.6172.53.3112.2L153 G203 R271 D280 E283L153-R278 HydrophobicContact CD1-CG 4.13Å; L153-R278 WeakPolarHBondContact CD1-O 3.45Å; L153-R278 HydrophobicContact CD2-CG 3.88Å; G203-R278 PolarHBondContact O-NH1 3.06Å; R271-R278 VanDerWaalsContact NH2-CD 3.31Å; R278-D280 WeakPolarHBondContact CB-OD2 3.43Å; R278-D280 PolarHBondContact O-N 3.19Å; R278-E283 PolarHBondContact N-OE1 3.49Å
279N83.6Confident84.9Confident56 Ų5656.4 Ų56.430%0.29930%0.295SS..  trans59.428.3-172.7-61.4-58.9000114.1Q149 M150 E283Q149-N279 HydrophobicContact CB-CB 3.82Å; Q149-N279 PolarHBondContact OE1-OD1 3.29Å; M150-N279 WeakPolarHBondContact CG-O 3.29Å; N279-E283 VanDerWaalsContact CA-OE1 3.31Å; N279-E283 WeakPolarHBondContact CA-OE1 3.37Å; N279-E283 PolarHBondContact N-OE1 3.44Å
280D88.7Confident84.9Confident1 Ų159.6 Ų59.61%0.00531%0.308CS..SBendtrans-91.8178.5177.557.633.1000112L153 G203 R271 R278 I282 E283L153-D280 HydrophobicContact CD1-CB 4.13Å; G203-D280 WeakPolarHBondContact CA-OD2 3.48Å; R271-D280 IonicContact CZ-OD2 3.61Å; R271-D280 IonicContact NH2-OD2 3.87Å; R271-D280 PolarHBondContact NH2-OD2 3.32Å; R278-D280 WeakPolarHBondContact CB-OD2 3.43Å; R278-D280 PolarHBondContact O-N 3.19Å; D280-I282 PolarHBondContact O-N 2.94Å; D280-I282 VanDerWaalsContact OD1-CB 3.26Å; D280-I282 WeakPolarHBondContact OD1-CB 3.3Å; D280-I282 PolarHBondContact OD1-N 2.94Å; D280-I282 VanDerWaalsContact OD1-N 3.09Å; D280-E283 PolarHBondContact O-N 3.18Å; D280-E283 PolarHBondContact OD1-N 3.12Å
281L87.7Confident84.9Confident5 Ų558 Ų583%0.02630%0.3CS..THydrogen-bonded Turntrans-76.1-7.8176.7-57.6173.7000112.7A141 F142 M150 I200 A201 E283 M284 L285 F315A141-L281 HydrophobicContact CB-CD2 3.84Å; F142-L281 HydrophobicContact CE1-CD1 4.5Å; F142-L281 HydrophobicContact CZ-CD1 4.48Å; M150-L281 HydrophobicContact CE-CD1 4.47Å; M150-L281 HydrophobicContact CE-CD2 4Å; M150-L281 HydrophobicContact CE-CG 3.81Å; M150-L281 HydrophobicContact SD-CD2 4.22Å; I200-L281 WeakPolarHBondContact O-CB 3.47Å; I200-L281 VanDerWaalsContact O-CG 3.3Å; I200-L281 WeakPolarHBondContact O-CG 3.46Å; I200-L281 PolarHBondContact O-N 2.99Å; A201-L281 HydrophobicContact CB-CD1 4.27Å; L281-E283 VanDerWaalsContact C-N 3.26Å; L281-E283 PolarHBondContact O-N 3.38Å; L281-M284 VanDerWaalsContact O-CB 3.26Å; L281-M284 WeakPolarHBondContact O-CB 3.4Å; L281-M284 PolarHBondContact O-N 2.84Å; L281-M284 VanDerWaalsContact O-N 3.14Å; L281-L285 PolarHBondContact O-N 2.81Å; L281-F315 HydrophobicContact CB-CD2 4.18Å; L281-F315 HydrophobicContact CB-CE2 3.97Å; L281-F315 HydrophobicContact CD1-CB 4.46Å; L281-F315 HydrophobicContact CD1-CD1 4.43Å; L281-F315 HydrophobicContact CD1-CD2 3.74Å; L281-F315 HydrophobicContact CD1-CE2 4.02Å; L281-F315 HydrophobicContact CD1-CG 3.97Å; L281-F315 HydrophobicContact CD1-CZ 4.49Å
282I88.7Confident84.9Confident0 Ų056.7 Ų56.70%030%0.296CS..Hα-helixtrans-65.6-35.6170.7-66.8-64.8000109.8A201 F202 I264 V267 R271 D280 M284 L285 L286A201-I282 WeakPolarHBondContact O-CD1 3.26Å; F202-I282 WeakPolarHBondContact O-CG1 3.35Å; I264-I282 HydrophobicContact CD1-CD1 3.97Å; V267-I282 HydrophobicContact CG1-CB 4.39Å; V267-I282 HydrophobicContact CG1-CD1 3.85Å; V267-I282 HydrophobicContact CG1-CG1 3.78Å; V267-I282 HydrophobicContact CG1-CG2 3.82Å; R271-I282 HydrophobicContact CG-CG2 4.11Å; D280-I282 PolarHBondContact O-N 2.94Å; D280-I282 VanDerWaalsContact OD1-CB 3.26Å; D280-I282 WeakPolarHBondContact OD1-CB 3.3Å; D280-I282 PolarHBondContact OD1-N 2.94Å; D280-I282 VanDerWaalsContact OD1-N 3.09Å; I282-M284 PolarHBondContact O-N 2.64Å; I282-L285 HydrophobicContact CD1-CD1 3.82Å; I282-L285 CarbonylContact O-C 3.56Å; I282-L285 WeakPolarHBondContact O-CA 3.22Å; I282-L285 WeakPolarHBondContact O-CB 3.37Å; I282-L285 PolarHBondContact O-N 2.93Å; I282-L286 HydrophobicContact CG2-CD1 4.23Å; I282-L286 HydrophobicContact CG2-CG 4.25Å; I282-L286 WeakPolarHBondContact O-CG 2.85Å; I282-L286 PolarHBondContact O-N 3.44Å
283E86.7Confident85.1Confident30 Ų3055.5 Ų55.514%0.1429%0.294CS..Hα-helixtrans-56.7-34.1172.9-67.9177.9-168.700112.2K146 L277 R278 N279 D280 L281 T287K146-E283 IonicContact NZ-OE2 2.67Å; K146-E283 PolarHBondContact NZ-OE2 3.39Å; L277-E283 WeakPolarHBondContact CA-OE1 3.42Å; L277-E283 HydrophobicContact CD2-CG 4.35Å; R278-E283 PolarHBondContact N-OE1 3.49Å; N279-E283 VanDerWaalsContact CA-OE1 3.31Å; N279-E283 WeakPolarHBondContact CA-OE1 3.37Å; N279-E283 PolarHBondContact N-OE1 3.44Å; D280-E283 PolarHBondContact O-N 3.18Å; D280-E283 PolarHBondContact OD1-N 3.12Å; L281-E283 VanDerWaalsContact C-N 3.26Å; L281-E283 PolarHBondContact O-N 3.38Å; E283-T287 WeakPolarHBondContact O-CB 3.16Å; E283-T287 PolarHBondContact O-N 3.33Å; E283-T287 PolarHBondContact O-OG1 3.16Å
284M86.5Confident85.2Confident16 Ų1653.3 Ų53.38%0.07930%0.296CS..Hα-helixtrans-67-42.9171.9-174.866.8-130.200111.1R137 L138 A141 L281 I282 L286 T287 L288R137-M284 HydrophobicContact CB-CE 4.49Å; R137-M284 WeakPolarHBondContact O-CE 3.48Å; L138-M284 HydrophobicContact CD2-CE 4.34Å; L138-M284 HydrophobicContact CD2-CG 3.71Å; A141-M284 HydrophobicContact CB-CB 3.91Å; A141-M284 HydrophobicContact CB-CG 3.75Å; A141-M284 HydrophobicContact CB-SD 3.81Å; L281-M284 VanDerWaalsContact O-CB 3.26Å; L281-M284 WeakPolarHBondContact O-CB 3.4Å; L281-M284 PolarHBondContact O-N 2.84Å; L281-M284 VanDerWaalsContact O-N 3.14Å; I282-M284 PolarHBondContact O-N 2.64Å; M284-L286 VanDerWaalsContact C-N 3.34Å; M284-L286 PolarHBondContact O-N 3.26Å; M284-T287 WeakPolarHBondContact O-CB 3.36Å; M284-T287 PolarHBondContact O-N 3.3Å; M284-L288 HydrophobicContact CE-CD1 4.5Å; M284-L288 HydrophobicContact CE-CD2 3.6Å; M284-L288 HydrophobicContact CE-CG 3.67Å; M284-L288 WeakPolarHBondContact O-CG 3.5Å; M284-L288 PolarHBondContact O-N 2.74Å
285L87.5Confident85.6Confident0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-64.2-38176.1-58.1-173.6000112.3I264 L281 I282 T287 L288 K289 L308 Q311 A312 F315I264-L285 HydrophobicContact CD1-CD1 3.98Å; I264-L285 HydrophobicContact CG2-CD1 4.1Å; L281-L285 PolarHBondContact O-N 2.81Å; I282-L285 HydrophobicContact CD1-CD1 3.82Å; I282-L285 CarbonylContact O-C 3.56Å; I282-L285 WeakPolarHBondContact O-CA 3.22Å; I282-L285 WeakPolarHBondContact O-CB 3.37Å; I282-L285 PolarHBondContact O-N 2.93Å; L285-T287 VanDerWaalsContact C-N 3.34Å; L285-L288 HydrophobicContact CD2-CD1 4.12Å; L285-L288 WeakPolarHBondContact O-CB 3.42Å; L285-L288 PolarHBondContact O-N 2.94Å; L285-K289 WeakPolarHBondContact O-CB 3.4Å; L285-K289 PolarHBondContact O-N 3.43Å; L285-L308 HydrophobicContact CB-CD2 4.47Å; L285-Q311 HydrophobicContact CD2-CB 3.86Å; L285-A312 HydrophobicContact CD1-CB 4.13Å; L285-F315 HydrophobicContact CD2-CE2 4.34Å
286L88.3Confident86.3Confident25 Ų2559.6 Ų59.613%0.13130%0.295CS..Hα-helixtrans-63.6-40.6172.5-69.8171.5000111.3I268 R271 E272 I282 M284 K289 K290I268-L286 HydrophobicContact CB-CD2 4.19Å; I268-L286 HydrophobicContact CG1-CD2 4.02Å; I268-L286 HydrophobicContact CG2-CD2 3.77Å; R271-L286 HydrophobicContact CB-CD1 3.76Å; R271-L286 HydrophobicContact CG-CD1 4.3Å; E272-L286 HydrophobicContact CG-CD2 4.08Å; I282-L286 HydrophobicContact CG2-CD1 4.23Å; I282-L286 HydrophobicContact CG2-CG 4.25Å; I282-L286 WeakPolarHBondContact O-CG 2.85Å; I282-L286 PolarHBondContact O-N 3.44Å; M284-L286 VanDerWaalsContact C-N 3.34Å; M284-L286 PolarHBondContact O-N 3.26Å; L286-K289 WeakPolarHBondContact O-CB 3.38Å; L286-K289 PolarHBondContact O-N 3.03Å; L286-K290 WeakPolarHBondContact O-CG 3.2Å; L286-K290 PolarHBondContact O-N 3.42Å
287T88.1Confident87.1Confident64 Ų6457.6 Ų57.639%0.39329%0.285SS..Hα-helixtrans-63.1-47.9174.6-57.40000110.7E283 M284 L285 K289 K290 E291E283-T287 WeakPolarHBondContact O-CB 3.16Å; E283-T287 PolarHBondContact O-N 3.33Å; E283-T287 PolarHBondContact O-OG1 3.16Å; M284-T287 WeakPolarHBondContact O-CB 3.36Å; M284-T287 PolarHBondContact O-N 3.3Å; L285-T287 VanDerWaalsContact C-N 3.34Å; T287-K289 VanDerWaalsContact C-N 3.27Å; T287-K289 PolarHBondContact O-N 3.37Å; T287-K290 PolarHBondContact O-N 3.5Å; T287-E291 WeakPolarHBondContact O-CG 3.33Å; T287-E291 PolarHBondContact O-N 2.96Å
288L88.4Confident87.8Confident1 Ų157.5 Ų57.51%0.00528%0.278CS..Hα-helixtrans-57-41.1174.3-72.1-178.5000112.2R137 L138 M284 L285 A292 F307 L308 Q311R137-L288 HydrophobicContact CB-CD2 3.48Å; R137-L288 VanDerWaalsContact CB-CD2 3.48Å; R137-L288 HydrophobicContact CG-CD2 4.2Å; L138-L288 HydrophobicContact CD2-CD1 3.85Å; M284-L288 HydrophobicContact CE-CD1 4.5Å; M284-L288 HydrophobicContact CE-CD2 3.6Å; M284-L288 HydrophobicContact CE-CG 3.67Å; M284-L288 WeakPolarHBondContact O-CG 3.5Å; M284-L288 PolarHBondContact O-N 2.74Å; L285-L288 HydrophobicContact CD2-CD1 4.12Å; L285-L288 WeakPolarHBondContact O-CB 3.42Å; L285-L288 PolarHBondContact O-N 2.94Å; L288-A292 WeakPolarHBondContact O-CB 3.39Å; L288-A292 PolarHBondContact O-N 2.91Å; L288-F307 HydrophobicContact CB-CE1 4.13Å; L288-F307 HydrophobicContact CD1-CE1 4.11Å; L288-F307 HydrophobicContact CD1-CZ 4.04Å; L288-F307 HydrophobicContact CD2-CE1 4.44Å; L288-F307 HydrophobicContact CD2-CZ 4.34Å; L288-F307 HydrophobicContact CG-CE1 4.47Å; L288-L308 HydrophobicContact CB-CD2 3.73Å; L288-L308 HydrophobicContact CD1-CD2 4.32Å; L288-Q311 HydrophobicContact CD1-CG 4.04Å
289K88.5Confident88.1Confident52 Ų5259.3 Ų59.323%0.22630%0.301CS..Hα-helixtrans-63.1-49.6176.9-170.8-158.4174.8-46.90110.9I268 E272 L285 L286 T287 E291 A292 D293 L308I268-K289 HydrophobicContact CG2-CD 4.05Å; E272-K289 WeakPolarHBondContact OE1-CE 3.3Å; L285-K289 WeakPolarHBondContact O-CB 3.4Å; L285-K289 PolarHBondContact O-N 3.43Å; L286-K289 WeakPolarHBondContact O-CB 3.38Å; L286-K289 PolarHBondContact O-N 3.03Å; T287-K289 VanDerWaalsContact C-N 3.27Å; T287-K289 PolarHBondContact O-N 3.37Å; K289-E291 VanDerWaalsContact C-N 3.35Å; K289-E291 PolarHBondContact O-N 2.85Å; K289-A292 CarbonylContact O-C 3.5Å; K289-A292 WeakPolarHBondContact O-CA 3.41Å; K289-A292 VanDerWaalsContact O-CB 3.32Å; K289-A292 WeakPolarHBondContact O-CB 3.46Å; K289-A292 PolarHBondContact O-N 3.2Å; K289-A292 VanDerWaalsContact O-N 3.08Å; K289-D293 IonicContact NZ-OD1 3.33Å; K289-D293 PolarHBondContact NZ-OD1 3.37Å; K289-D293 IonicContact NZ-OD2 3.12Å; K289-D293 PolarHBondContact NZ-OD2 2.82Å; K289-D293 VanDerWaalsContact O-CG 3.3Å; K289-D293 PolarHBondContact O-N 2.95Å; K289-L308 HydrophobicContact CB-CD1 3.94Å; K289-L308 HydrophobicContact CG-CD1 4.17Å
290K89.3Confident88.4Confident130 Ų13058.1 Ų58.157%0.56529%0.293SS*.Hα-helixtrans-59.8-44.1177.8-72.2175.1-177.7-179.70111.9L286 T287 A292 D293 L294L286-K290 WeakPolarHBondContact O-CG 3.2Å; L286-K290 PolarHBondContact O-N 3.42Å; T287-K290 PolarHBondContact O-N 3.5Å; K290-A292 VanDerWaalsContact C-N 3.3Å; K290-A292 PolarHBondContact O-N 3.21Å; K290-D293 PolarHBondContact O-N 3.49Å; K290-L294 WeakPolarHBondContact O-CG 3.37Å; K290-L294 PolarHBondContact O-N 3.46Å; K290-L294 VanDerWaalsContact O-N 3.08Å
291E88Confident88.5Confident70 Ų7059.1 Ų59.133%0.32730%0.298SS..Hα-helixtrans-63.5-36.1174.6-70176.4175.500112.4R137 T287 K289 L294 Q295R137-E291 IonicContact CZ-OE2 2.94Å; R137-E291 IonicContact NE-OE2 2.66Å; R137-E291 VanDerWaalsContact NH1-CB 3.28Å; R137-E291 IonicContact NH1-OE2 2.7Å; R137-E291 PolarHBondContact NH1-OE2 3.49Å; T287-E291 WeakPolarHBondContact O-CG 3.33Å; T287-E291 PolarHBondContact O-N 2.96Å; K289-E291 VanDerWaalsContact C-N 3.35Å; K289-E291 PolarHBondContact O-N 2.85Å; E291-L294 PolarHBondContact O-N 3.27Å; E291-Q295 PolarHBondContact O-N 3.2Å
292A87.2Confident88.6Confident5 Ų559.3 Ų59.34%0.04130%0.299CS..Hα-helixtrans-64.5-44.4173.100000110.3L288 K289 K290 L294 Q295 H303L288-A292 WeakPolarHBondContact O-CB 3.39Å; L288-A292 PolarHBondContact O-N 2.91Å; K289-A292 CarbonylContact O-C 3.5Å; K289-A292 WeakPolarHBondContact O-CA 3.41Å; K289-A292 VanDerWaalsContact O-CB 3.32Å; K289-A292 WeakPolarHBondContact O-CB 3.46Å; K289-A292 PolarHBondContact O-N 3.2Å; K289-A292 VanDerWaalsContact O-N 3.08Å; K290-A292 VanDerWaalsContact C-N 3.3Å; K290-A292 PolarHBondContact O-N 3.21Å; A292-L294 PolarHBondContact O-N 3.06Å; A292-Q295 VanDerWaalsContact O-CB 3.23Å; A292-Q295 WeakPolarHBondContact O-CB 3.5Å; A292-Q295 PolarHBondContact O-N 2.88Å; A292-H303 PolarHBondContact O-CE1 3.14Å; A292-H303 PolarHBondContact O-NE2 3.04Å; A292-H303 VanDerWaalsContact O-NE2 3.15Å
293D88.2Confident88.6Confident82 Ų8262 Ų6244%0.43931%0.311SS..Hα-helixtrans-60.1-35.6179-66.2-28.1000112K289 K290 Q295K289-D293 IonicContact NZ-OD1 3.33Å; K289-D293 PolarHBondContact NZ-OD1 3.37Å; K289-D293 IonicContact NZ-OD2 3.12Å; K289-D293 PolarHBondContact NZ-OD2 2.82Å; K289-D293 VanDerWaalsContact O-CG 3.3Å; K289-D293 PolarHBondContact O-N 2.95Å; K290-D293 PolarHBondContact O-N 3.49Å; D293-Q295 VanDerWaalsContact C-N 3.34Å
294L90.3Very high88.8Confident149 Ų14963.8 Ų63.878%0.7832%0.32SS*.Hα-helixtrans-74-18.1174.1-65.9174.5000114.2K290 E291 A292 Q296K290-L294 WeakPolarHBondContact O-CG 3.37Å; K290-L294 PolarHBondContact O-N 3.46Å; K290-L294 VanDerWaalsContact O-N 3.08Å; E291-L294 PolarHBondContact O-N 3.27Å; A292-L294 PolarHBondContact O-N 3.06Å; L294-Q296 PolarHBondContact O-N 3.28Å
295Q88Confident88.9Confident57 Ų5772.1 Ų72.127%0.26635%0.35SS..  trans-69.7114.9177.7177.658.7-87.900110.1E291 A292 D293 D297 H300 H303E291-Q295 PolarHBondContact O-N 3.2Å; A292-Q295 VanDerWaalsContact O-CB 3.23Å; A292-Q295 WeakPolarHBondContact O-CB 3.5Å; A292-Q295 PolarHBondContact O-N 2.88Å; D293-Q295 VanDerWaalsContact C-N 3.34Å; Q295-D297 VanDerWaalsContact C-N 3.33Å; Q295-D297 HydrophobicContact CG-CB 4.46Å; Q295-D297 PolarHBondContact O-N 2.7Å; Q295-H300 HydrophobicContact CG-CB 3.72Å; Q295-H303 PolarHBondContact O-NE2 3.05Å; Q295-H303 VanDerWaalsContact O-NE2 3.13Å
296Q89.3Confident89.1Confident186 Ų18672.4 Ų72.487%0.86935%0.352SS*.SBendtrans-65.4-36.4-178.4-66.3-176.4-8.800112L294 K298L294-Q296 PolarHBondContact O-N 3.28Å; Q296-K298 PolarHBondContact O-N 2.98Å; Q296-K298 VanDerWaalsContact O-N 3.13Å
297D91.1Very high89.3Confident75 Ų7571.3 Ų71.340%0.40135%0.346SS..  trans-75.6100.1175.8-179.68.9000110.9Q295 S299 H300 H303Q295-D297 VanDerWaalsContact C-N 3.33Å; Q295-D297 HydrophobicContact CG-CB 4.46Å; Q295-D297 PolarHBondContact O-N 2.7Å; D297-S299 VanDerWaalsContact CG-OG 3.27Å; D297-S299 PolarHBondContact O-N 2.87Å; D297-S299 WeakPolarHBondContact OD1-CA 3.41Å; D297-S299 VanDerWaalsContact OD1-CB 3.28Å; D297-S299 WeakPolarHBondContact OD1-CB 3.42Å; D297-S299 PolarHBondContact OD1-N 2.91Å; D297-S299 PolarHBondContact OD1-OG 2.75Å; D297-S299 PolarHBondContact OD2-OG 3.46Å; D297-H300 HydrophobicContact CB-CB 4.35Å; D297-H300 WeakPolarHBondContact O-CB 3.46Å; D297-H300 PolarHBondContact O-N 3.35Å; D297-H300 VanDerWaalsContact O-N 3.09Å; D297-H303 PolarHBondContact O-CD2 3.28Å; D297-H303 PolarHBondContact O-NE2 2.9Å
298K87.6Confident89.5Confident139 Ų13969.5 Ų69.560%0.60433%0.334SS*.THydrogen-bonded Turntrans-66.9-15.3176.2-63-56.6-173.9-1710113.8Q296 H300Q296-K298 PolarHBondContact O-N 2.98Å; Q296-K298 VanDerWaalsContact O-N 3.13Å; K298-H300 VanDerWaalsContact C-N 3.26Å
299S87.9Confident89.7Confident102 Ų10269.5 Ų69.571%0.71333%0.334SS*.THydrogen-bonded Turntrans-80.3-10.1173.680.10000113D297D297-S299 VanDerWaalsContact CG-OG 3.27Å; D297-S299 PolarHBondContact O-N 2.87Å; D297-S299 WeakPolarHBondContact OD1-CA 3.41Å; D297-S299 VanDerWaalsContact OD1-CB 3.28Å; D297-S299 WeakPolarHBondContact OD1-CB 3.42Å; D297-S299 PolarHBondContact OD1-N 2.91Å; D297-S299 PolarHBondContact OD1-OG 2.75Å; D297-S299 PolarHBondContact OD2-OG 3.46Å
300H90.7Very high90Very high31 Ų3167 Ų6714%0.14432%0.323CS..SBendtrans-60.2141.1178.6-165.4-96.8000111.9E133 Q295 D297 K298 T302 H303E133-H300 IonicContact OE1-CE1 3.18Å; E133-H300 PolarHBondContact OE1-CE1 2.79Å; E133-H300 IonicContact OE1-NE2 3.36Å; E133-H300 PolarHBondContact OE1-NE2 3.46Å; E133-H300 IonicContact OE2-CE1 3.55Å; E133-H300 IonicContact OE2-NE2 3.15Å; E133-H300 PolarHBondContact OE2-NE2 3.44Å; Q295-H300 HydrophobicContact CG-CB 3.72Å; D297-H300 HydrophobicContact CB-CB 4.35Å; D297-H300 WeakPolarHBondContact O-CB 3.46Å; D297-H300 PolarHBondContact O-N 3.35Å; D297-H300 VanDerWaalsContact O-N 3.09Å; K298-H300 VanDerWaalsContact C-N 3.26Å; H300-T302 WeakPolarHBondContact ND1-CG2 3.46Å; H300-T302 PolarHBondContact ND1-N 3.1Å; H300-T302 PolarHBondContact ND1-OG1 3.02Å; H300-T302 PolarHBondContact O-N 3.03Å; H300-H303 PolarHBondContact O-N 3.26Å
301F90.6Very high90.2Very high23 Ų2360.9 Ų60.910%0.10130%0.296CS..G310 helixtrans-61.9-21-171.968.5-93.1000114L121 E130 E133 I134 H303 H304 F307L121-F301 HydrophobicContact CD2-CB 3.99Å; L121-F301 HydrophobicContact CD2-CD2 3.95Å; L121-F301 HydrophobicContact CD2-CG 4.18Å; E130-F301 HydrophobicContact CB-CD1 4.28Å; E130-F301 HydrophobicContact CB-CE1 4.03Å; E130-F301 HydrophobicContact CB-CZ 4.24Å; E130-F301 HydrophobicContact CG-CD1 3.56Å; E130-F301 HydrophobicContact CG-CE1 3.72Å; E130-F301 HydrophobicContact CG-CG 4.1Å; E130-F301 HydrophobicContact CG-CZ 4.39Å; E133-F301 HydrophobicContact CB-CZ 4.18Å; E133-F301 HydrophobicContact CG-CZ 4.11Å; E133-F301 VanDerWaalsContact OE2-CE1 3.3Å; E133-F301 WeakPolarHBondContact OE2-CE1 3.41Å; I134-F301 HydrophobicContact CD1-CE2 3.96Å; I134-F301 HydrophobicContact CG1-CE2 3.64Å; I134-F301 HydrophobicContact CG1-CZ 3.98Å; F301-H303 PolarHBondContact O-N 3.49Å; F301-H304 VanDerWaalsContact O-CB 3.25Å; F301-H304 WeakPolarHBondContact O-CB 3.29Å; F301-H304 PolarHBondContact O-N 3.09Å; F301-H304 VanDerWaalsContact O-N 3.12Å; F301-F307 HydrophobicContact CD2-CD2 4.06Å; F301-F307 HydrophobicContact CD2-CE2 4.19Å; F301-F307 HydrophobicContact CE2-CD2 4.15Å; F301-F307 AromaticContact CE2-CE2 3.8Å; F301-F307 HydrophobicContact CE2-CE2 3.8Å; F301-F307 HydrophobicContact CE2-CZ 4.27Å
302T90.3Very high90.4Very high8 Ų857.5 Ų57.55%0.04928%0.281CS..G310 helixtrans-66.3-23.2177.255.50000113H300 H304 F307H300-T302 WeakPolarHBondContact ND1-CG2 3.46Å; H300-T302 PolarHBondContact ND1-N 3.1Å; H300-T302 PolarHBondContact ND1-OG1 3.02Å; H300-T302 PolarHBondContact O-N 3.03Å; T302-H304 VanDerWaalsContact C-N 3.28Å; T302-F307 HydrophobicContact CG2-CD1 4.25Å; T302-F307 HydrophobicContact CG2-CE1 3.85Å; T302-F307 HydrophobicContact CG2-CZ 4.12Å
303H88.9Confident90.6Very high57 Ų5757.3 Ų57.326%0.26428%0.279SS..G310 helixtrans-80.4-7.8174.5-70.5-70000113.1A292 Q295 D297 H300 F301A292-H303 PolarHBondContact O-CE1 3.14Å; A292-H303 PolarHBondContact O-NE2 3.04Å; A292-H303 VanDerWaalsContact O-NE2 3.15Å; Q295-H303 PolarHBondContact O-NE2 3.05Å; Q295-H303 VanDerWaalsContact O-NE2 3.13Å; D297-H303 PolarHBondContact O-CD2 3.28Å; D297-H303 PolarHBondContact O-NE2 2.9Å; H300-H303 PolarHBondContact O-N 3.26Å; F301-H303 PolarHBondContact O-N 3.49Å
304H90.2Very high90.7Very high68 Ų6853.6 Ų53.632%0.31526%0.259SS..SBendtrans-71.4133.5179.2-168.3-83.9000110.7K117 L121 F301 T302 D306 F307K117-H304 VanDerWaalsContact CG-CE1 3.42Å; K117-H304 WeakPolarHBondContact CG-CE1 3.38Å; L121-H304 HydrophobicContact CD1-CB 4.23Å; F301-H304 VanDerWaalsContact O-CB 3.25Å; F301-H304 WeakPolarHBondContact O-CB 3.29Å; F301-H304 PolarHBondContact O-N 3.09Å; F301-H304 VanDerWaalsContact O-N 3.12Å; T302-H304 VanDerWaalsContact C-N 3.28Å; H304-D306 IonicContact CE1-OD2 3.69Å; H304-D306 WeakPolarHBondContact ND1-CB 3.45Å; H304-D306 PolarHBondContact ND1-N 3.09Å; H304-D306 PolarHBondContact O-N 3.45Å; H304-F307 VanDerWaalsContact O-CB 3.25Å; H304-F307 WeakPolarHBondContact O-CB 3.28Å; H304-F307 PolarHBondContact O-N 3.28Å
305R88.1Confident90.8Very high190 Ų19047.3 Ų47.372%0.71723%0.226SC*.THydrogen-bonded Turntrans-52.6-32.2-178.973.3-179.8-170.6-178.80.9114.4F307R305-F307 VanDerWaalsContact C-N 3.33Å
306D92Very high90.9Very high7 Ų744.6 Ų44.64%0.03721%0.213CC..Hα-helixtrans-81.6-6.4-179.9-65-8.7000113.5M118 R261 H304 A310M118-D306 HydrophobicContact CB-CB 4.1Å; R261-D306 IonicContact CZ-OD1 3.63Å; R261-D306 IonicContact NE-OD1 2.76Å; R261-D306 PolarHBondContact NE-OD1 3.44Å; R261-D306 IonicContact NH2-OD1 3.58Å; R261-D306 PolarHBondContact NH2-OD1 3.39Å; R261-D306 IonicContact NH2-OD2 2.63Å; R261-D306 PolarHBondContact NH2-OD2 2.86Å; R261-D306 VanDerWaalsContact NH2-OD2 3.09Å; H304-D306 IonicContact CE1-OD2 3.69Å; H304-D306 WeakPolarHBondContact ND1-CB 3.45Å; H304-D306 PolarHBondContact ND1-N 3.09Å; H304-D306 PolarHBondContact O-N 3.45Å; D306-A310 WeakPolarHBondContact O-CB 3.18Å; D306-A310 PolarHBondContact O-N 3.01Å
307F92.7Very high90.7Very high1 Ų137.2 Ų37.20%0.00418%0.181CC..Hα-helixtrans-63.6-52.1-172173-122.2000112.6L121 I134 L288 F301 T302 H304 R305 A310 Q311L121-F307 HydrophobicContact CD1-CB 4.22Å; L121-F307 HydrophobicContact CD1-CD2 4.43Å; I134-F307 HydrophobicContact CD1-CE2 4.19Å; I134-F307 HydrophobicContact CG1-CE2 3.93Å; L288-F307 HydrophobicContact CB-CE1 4.13Å; L288-F307 HydrophobicContact CD1-CE1 4.11Å; L288-F307 HydrophobicContact CD1-CZ 4.04Å; L288-F307 HydrophobicContact CD2-CE1 4.44Å; L288-F307 HydrophobicContact CD2-CZ 4.34Å; L288-F307 HydrophobicContact CG-CE1 4.47Å; F301-F307 HydrophobicContact CD2-CD2 4.06Å; F301-F307 HydrophobicContact CD2-CE2 4.19Å; F301-F307 HydrophobicContact CE2-CD2 4.15Å; F301-F307 AromaticContact CE2-CE2 3.8Å; F301-F307 HydrophobicContact CE2-CE2 3.8Å; F301-F307 HydrophobicContact CE2-CZ 4.27Å; T302-F307 HydrophobicContact CG2-CD1 4.25Å; T302-F307 HydrophobicContact CG2-CE1 3.85Å; T302-F307 HydrophobicContact CG2-CZ 4.12Å; H304-F307 VanDerWaalsContact O-CB 3.25Å; H304-F307 WeakPolarHBondContact O-CB 3.28Å; H304-F307 PolarHBondContact O-N 3.28Å; R305-F307 VanDerWaalsContact C-N 3.33Å; F307-A310 WeakPolarHBondContact O-CB 3.24Å; F307-A310 PolarHBondContact O-N 2.81Å; F307-Q311 HydrophobicContact CE2-CG 4.1Å; F307-Q311 HydrophobicContact CZ-CG 4.39Å; F307-Q311 WeakPolarHBondContact O-CG 3.39Å; F307-Q311 PolarHBondContact O-N 2.86Å; F307-Q311 PolarHBondContact O-NE2 2.88Å
308L92.9Very high90.6Very high26 Ų2635.2 Ų35.214%0.13617%0.174CC..Hα-helixtrans-66.5-44.8179.5-59.1179.8000110.9I264 I268 L285 L288 K289 A310 Q311 A312I264-L308 HydrophobicContact CG2-CB 4.14Å; I268-L308 HydrophobicContact CD1-CD1 3.52Å; L285-L308 HydrophobicContact CB-CD2 4.47Å; L288-L308 HydrophobicContact CB-CD2 3.73Å; L288-L308 HydrophobicContact CD1-CD2 4.32Å; K289-L308 HydrophobicContact CB-CD1 3.94Å; K289-L308 HydrophobicContact CG-CD1 4.17Å; L308-A310 VanDerWaalsContact C-N 3.26Å; L308-A310 PolarHBondContact O-N 3.15Å; L308-Q311 PolarHBondContact O-N 3.47Å; L308-Q311 VanDerWaalsContact O-N 3.1Å; L308-A312 PolarHBondContact O-N 3.39Å
309A93Very high90.7Very high2 Ų229 Ų292%0.01715%0.151CC..Hα-helixtrans-61.1-33.3175.800000112.5M118 R261 A312 A313M118-A309 HydrophobicContact CE-CB 3.59Å; R261-A309 HydrophobicContact CG-CB 4.2Å; A309-A312 PolarHBondContact O-N 3.33Å; A309-A313 VanDerWaalsContact O-CB 3.27Å; A309-A313 WeakPolarHBondContact O-CB 3.29Å; A309-A313 PolarHBondContact O-N 2.76Å
310A93.8Very high90.9Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-67.2-34.9174.500000113.1M118 L121 D306 F307 L308 S314M118-A310 HydrophobicContact CG-CB 3.91Å; M118-A310 VanDerWaalsContact O-CB 3.22Å; M118-A310 WeakPolarHBondContact O-CB 3.43Å; L121-A310 HydrophobicContact CB-CB 4.03Å; D306-A310 WeakPolarHBondContact O-CB 3.18Å; D306-A310 PolarHBondContact O-N 3.01Å; F307-A310 WeakPolarHBondContact O-CB 3.24Å; F307-A310 PolarHBondContact O-N 2.81Å; L308-A310 VanDerWaalsContact C-N 3.26Å; L308-A310 PolarHBondContact O-N 3.15Å; A310-S314 WeakPolarHBondContact O-CB 3.33Å; A310-S314 PolarHBondContact O-N 3.05Å; A310-S314 PolarHBondContact O-OG 2.7Å
311Q94Very high90.8Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-73.6-42.7176.5-54.4-32.1-61.700110.5L121 L138 L285 L288 F307 L308 A313 S314 F315L121-Q311 PolarHBondContact O-NE2 3.32Å; L138-Q311 HydrophobicContact CD1-CG 4.42Å; L285-Q311 HydrophobicContact CD2-CB 3.86Å; L288-Q311 HydrophobicContact CD1-CG 4.04Å; F307-Q311 HydrophobicContact CE2-CG 4.1Å; F307-Q311 HydrophobicContact CZ-CG 4.39Å; F307-Q311 WeakPolarHBondContact O-CG 3.39Å; F307-Q311 PolarHBondContact O-N 2.86Å; F307-Q311 PolarHBondContact O-NE2 2.88Å; L308-Q311 PolarHBondContact O-N 3.47Å; L308-Q311 VanDerWaalsContact O-N 3.1Å; Q311-A313 PolarHBondContact O-N 2.88Å; Q311-S314 WeakPolarHBondContact O-CA 3.45Å; Q311-S314 VanDerWaalsContact O-CB 3.29Å; Q311-S314 WeakPolarHBondContact O-CB 3.43Å; Q311-S314 PolarHBondContact O-N 3.24Å; Q311-F315 HydrophobicContact CB-CZ 4.46Å; Q311-F315 WeakPolarHBondContact O-CG 3.37Å; Q311-F315 PolarHBondContact O-N 3.35Å
312A92.1Very high91Very high0 Ų024.3 Ų24.30%012%0.12CC..Hα-helixtrans-55.4-50.2171.600000112.1F202 I264 L285 L308 A309 S314 F315 E316F202-A312 HydrophobicContact CD1-CB 4.42Å; F202-A312 HydrophobicContact CE1-CB 3.9Å; I264-A312 HydrophobicContact CD1-CB 3.48Å; I264-A312 VanDerWaalsContact CD1-CB 3.48Å; I264-A312 HydrophobicContact CG1-CB 3.59Å; L285-A312 HydrophobicContact CD1-CB 4.13Å; L308-A312 PolarHBondContact O-N 3.39Å; A309-A312 PolarHBondContact O-N 3.33Å; A312-S314 PolarHBondContact O-N 3.1Å; A312-F315 PolarHBondContact O-N 3.08Å; A312-F315 VanDerWaalsContact O-N 3.1Å; A312-E316 PolarHBondContact O-N 2.88Å
313A90.8Very high91.3Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-58.9-34.3174.600000112.2M118 F252 L260 A309 Q311 E316 V317M118-A313 HydrophobicContact SD-CB 4.26Å; F252-A313 HydrophobicContact CD1-CB 4.24Å; F252-A313 HydrophobicContact CE1-CB 3.63Å; F252-A313 HydrophobicContact CE2-CB 3.99Å; F252-A313 HydrophobicContact CZ-CB 3.49Å; F252-A313 VanDerWaalsContact CZ-CB 3.49Å; L260-A313 HydrophobicContact CD1-CB 3.4Å; L260-A313 VanDerWaalsContact CD1-CB 3.4Å; A309-A313 VanDerWaalsContact O-CB 3.27Å; A309-A313 WeakPolarHBondContact O-CB 3.29Å; A309-A313 PolarHBondContact O-N 2.76Å; Q311-A313 PolarHBondContact O-N 2.88Å; A313-E316 PolarHBondContact O-N 3.43Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3Å; A313-V317 VanDerWaalsContact O-N 3.09Å
314S91.5Very high91.6Very high4 Ų421.3 Ų21.33%0.02811%0.106CC..Hα-helixtrans-66.6-41.3176.9-59.50000111.6S122 L123 F124 A310 Q311 A312 E316 A318S122-S314 WeakPolarHBondContact CB-OG 3.5Å; L123-S314 PolarHBondContact N-OG 3.38Å; F124-S314 WeakPolarHBondContact CE2-O 3.39Å; F124-S314 WeakPolarHBondContact CZ-O 3.37Å; A310-S314 WeakPolarHBondContact O-CB 3.33Å; A310-S314 PolarHBondContact O-N 3.05Å; A310-S314 PolarHBondContact O-OG 2.7Å; Q311-S314 WeakPolarHBondContact O-CA 3.45Å; Q311-S314 VanDerWaalsContact O-CB 3.29Å; Q311-S314 WeakPolarHBondContact O-CB 3.43Å; Q311-S314 PolarHBondContact O-N 3.24Å; A312-S314 PolarHBondContact O-N 3.1Å; S314-E316 VanDerWaalsContact C-N 3.34Å; S314-A318 PolarHBondContact O-N 3.28Å
315F91.1Very high91.9Very high17 Ų1718.3 Ų18.38%0.0759%0.093CC..Hα-helixtrans-66-39.8176-55.5-28.2000111.6L138 F142 A201 L281 L285 Q311 A312 G319L138-F315 HydrophobicContact CD1-CE1 4.3Å; L138-F315 HydrophobicContact CD1-CZ 4.35Å; L138-F315 HydrophobicContact CD2-CZ 3.88Å; F142-F315 AromaticContact CE2-CE1 3.99Å; F142-F315 HydrophobicContact CE2-CE1 3.99Å; F142-F315 HydrophobicContact CE2-CZ 4.46Å; F142-F315 HydrophobicContact CZ-CD1 4.01Å; F142-F315 AromaticContact CZ-CE1 3.58Å; F142-F315 HydrophobicContact CZ-CE1 3.58Å; F142-F315 HydrophobicContact CZ-CZ 4.22Å; A201-F315 HydrophobicContact CB-CB 3.79Å; A201-F315 HydrophobicContact CB-CD2 4.26Å; A201-F315 HydrophobicContact CB-CG 4.49Å; L281-F315 HydrophobicContact CB-CD2 4.18Å; L281-F315 HydrophobicContact CB-CE2 3.97Å; L281-F315 HydrophobicContact CD1-CB 4.46Å; L281-F315 HydrophobicContact CD1-CD1 4.43Å; L281-F315 HydrophobicContact CD1-CD2 3.74Å; L281-F315 HydrophobicContact CD1-CE2 4.02Å; L281-F315 HydrophobicContact CD1-CG 3.97Å; L281-F315 HydrophobicContact CD1-CZ 4.49Å; L285-F315 HydrophobicContact CD2-CE2 4.34Å; Q311-F315 HydrophobicContact CB-CZ 4.46Å; Q311-F315 WeakPolarHBondContact O-CG 3.37Å; Q311-F315 PolarHBondContact O-N 3.35Å; A312-F315 PolarHBondContact O-N 3.08Å; A312-F315 VanDerWaalsContact O-N 3.1Å; F315-G319 WeakPolarHBondContact O-CA 3.2Å; F315-G319 PolarHBondContact O-N 3.47Å
316E89.7Confident92.3Very high0 Ų09.5 Ų9.50%06%0.06CC..Hα-helixtrans-59-57.5177.8-164.8-166.2135.800112.8I197 F202 C220 H256 L260 A312 A313 S314 A318 G319 I320I197-E316 HydrophobicContact CG2-CB 4.44Å; I197-E316 HydrophobicContact CG2-CG 4.43Å; F202-E316 HydrophobicContact CE2-CG 4.31Å; F202-E316 HydrophobicContact CZ-CB 3.85Å; F202-E316 HydrophobicContact CZ-CG 3.98Å; C220-E316 WeakPolarHBondContact CA-OE1 3Å; C220-E316 WeakPolarHBondContact CB-OE1 3.29Å; C220-E316 PolarHBondContact SG-OE1 3.25Å; H256-E316 IonicContact CE1-OE1 3.87Å; H256-E316 PolarHBondContact CE1-OE1 3.11Å; H256-E316 IonicContact CE1-OE2 3.76Å; H256-E316 PolarHBondContact CE1-OE2 3.35Å; H256-E316 IonicContact NE2-OE1 3.83Å; H256-E316 IonicContact NE2-OE2 3.75Å; L260-E316 WeakPolarHBondContact CD2-OE2 3.36Å; A312-E316 PolarHBondContact O-N 2.88Å; A313-E316 PolarHBondContact O-N 3.43Å; S314-E316 VanDerWaalsContact C-N 3.34Å; E316-A318 PolarHBondContact O-N 2.95Å; E316-G319 PolarHBondContact O-N 2.88Å; E316-I320 HydrophobicContact CG-CD1 3.79Å; E316-I320 WeakPolarHBondContact O-CG1 3.45Å; E316-I320 PolarHBondContact O-N 3.39Å; E316-I320 VanDerWaalsContact O-N 3.1Å
317V84.9Confident92.6Very high32 Ų329.1 Ų9.119%0.1946%0.058CC..Hα-helixtrans-64.8-43.2-173.6175.60000111.7F124 L223 F224 F252 A313F124-V317 HydrophobicContact CE2-CB 4.42Å; L223-V317 HydrophobicContact CD2-CG2 3.34Å; F224-V317 HydrophobicContact CE1-CG1 4.06Å; F224-V317 HydrophobicContact CZ-CB 4.38Å; F224-V317 HydrophobicContact CZ-CG1 3.98Å; F224-V317 HydrophobicContact CZ-CG2 4.43Å; F252-V317 HydrophobicContact CE1-CG2 3.79Å; F252-V317 HydrophobicContact CZ-CG2 4.46Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3Å; A313-V317 VanDerWaalsContact O-N 3.09Å
318A89.1Confident92.9Very high32 Ų329.2 Ų9.226%0.2646%0.059SC..Hα-helixtrans-71.4-37.8178.900000112.1F124 S314 E316 T322F124-A318 HydrophobicContact CE1-CB 4.09Å; F124-A318 HydrophobicContact CZ-CB 3.58Å; S314-A318 PolarHBondContact O-N 3.28Å; E316-A318 PolarHBondContact O-N 2.95Å; A318-T322 PolarHBondContact O-OG1 2.67Å
319G91.4Very high93.1Very high10 Ų108.2 Ų8.210%0.1035%0.054CC..Hα-helixtrans-81.3-24.6-169.800000115.2F315 E316 C323 Q474F315-G319 WeakPolarHBondContact O-CA 3.2Å; F315-G319 PolarHBondContact O-N 3.47Å; E316-G319 PolarHBondContact O-N 2.88Å; G319-C323 WeakPolarHBondContact O-CB 3.43Å; G319-C323 PolarHBondContact O-SG 3.23Å; G319-Q474 PolarHBondContact O-NE2 3.13Å
320I91.6Very high93.4Very high7 Ų78.1 Ų8.14%0.0365%0.053CC..THydrogen-bonded Turntrans-88.7-74.4-178.2-58.7176.8000110.7N193 I197 C220 E316 T322 C323 S324N193-I320 HydrophobicContact CB-CG2 4.36Å; I197-I320 HydrophobicContact CB-CD1 4.38Å; I197-I320 HydrophobicContact CB-CG1 3.93Å; I197-I320 HydrophobicContact CG1-CG1 3.75Å; I197-I320 HydrophobicContact CG2-CD1 4.33Å; I197-I320 HydrophobicContact CG2-CG1 4.19Å; C220-I320 HydrophobicContact CB-CD1 3.94Å; E316-I320 HydrophobicContact CG-CD1 3.79Å; E316-I320 WeakPolarHBondContact O-CG1 3.45Å; E316-I320 PolarHBondContact O-N 3.39Å; E316-I320 VanDerWaalsContact O-N 3.1Å; I320-T322 VanDerWaalsContact C-N 3.31Å; I320-T322 PolarHBondContact O-N 2.93Å; I320-C323 PolarHBondContact O-N 2.76Å; I320-S324 WeakPolarHBondContact O-CB 3.47Å; I320-S324 PolarHBondContact O-N 3.03Å; I320-S324 PolarHBondContact O-OG 3.43Å
321E88.6Confident93.6Very high13 Ų138.1 Ų8.16%0.0615%0.053CC..Hα-helixtrans-61.9-38.1-167.4-17660.7-161.200112.5K186 F224 A325 F504 L506K186-E321 VanDerWaalsContact CE-OE1 3.23Å; K186-E321 WeakPolarHBondContact CE-OE1 3.44Å; K186-E321 IonicContact NZ-OE1 3.66Å; K186-E321 PolarHBondContact NZ-OE1 2.89Å; K186-E321 IonicContact NZ-OE2 2.64Å; K186-E321 PolarHBondContact NZ-OE2 3.42Å; F224-E321 HydrophobicContact CD1-CB 4.45Å; F224-E321 HydrophobicContact CD1-CG 4.42Å; F224-E321 HydrophobicContact CE1-CB 3.89Å; F224-E321 HydrophobicContact CE1-CG 4.25Å; F224-E321 HydrophobicContact CE2-CB 4.26Å; F224-E321 HydrophobicContact CZ-CB 3.78Å; E321-A325 WeakPolarHBondContact O-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.18Å; E321-F504 HydrophobicContact CG-CE1 3.92Å; E321-F504 HydrophobicContact CG-CZ 4.1Å; E321-L506 HydrophobicContact CB-CD1 4.3Å; E321-L506 HydrophobicContact CG-CD1 3.77Å
322T94.6Very high93.8Very high36 Ų368.2 Ų8.222%0.2215%0.053CC..Hα-helixtrans-70.9-39.8-177.976.60000113A318 I320 S326 I384 L506A318-T322 PolarHBondContact O-OG1 2.67Å; I320-T322 VanDerWaalsContact C-N 3.31Å; I320-T322 PolarHBondContact O-N 2.93Å; T322-S326 WeakPolarHBondContact O-CB 3.35Å; T322-S326 PolarHBondContact O-N 3.33Å; T322-S326 VanDerWaalsContact O-N 3.1Å; T322-S326 PolarHBondContact O-OG 2.88Å; T322-I384 HydrophobicContact CG2-CG2 4.17Å; T322-L506 HydrophobicContact CG2-CD1 4.28Å
323C96.9Very high94.1Very high2 Ų28.4 Ų8.41%0.0146%0.055CC..Hα-helixtrans-70.8-42.3176.7-67.80000110.7N193 G319 I320 A325 S326 M327 Q474 I475N193-C323 VanDerWaalsContact OD1-CB 3.26Å; N193-C323 WeakPolarHBondContact OD1-CB 3.37Å; G319-C323 WeakPolarHBondContact O-CB 3.43Å; G319-C323 PolarHBondContact O-SG 3.23Å; I320-C323 PolarHBondContact O-N 2.76Å; C323-A325 PolarHBondContact O-N 3.18Å; C323-S326 PolarHBondContact O-N 2.79Å; C323-M327 WeakPolarHBondContact O-CB 3.3Å; C323-M327 VanDerWaalsContact O-CG 3.32Å; C323-M327 WeakPolarHBondContact O-CG 3.45Å; C323-M327 PolarHBondContact O-N 3.35Å; C323-Q474 HydrophobicContact CB-CG 4.19Å; C323-Q474 VanDerWaalsContact SG-CD 3.52Å; C323-I475 HydrophobicContact CB-CG1 4.15Å
324S95.2Very high94.5Very high0 Ų08.4 Ų8.40%06%0.055CC..Hα-helixtrans-60.3-47.5177-69.80000113C189 D190 N193 I320 M327 S328C189-S324 PolarHBondContact O-OG 3.48Å; D190-S324 VanDerWaalsContact CA-OG 3.3Å; D190-S324 WeakPolarHBondContact CA-OG 3.44Å; D190-S324 PolarHBondContact N-OG 3.18Å; D190-S324 WeakPolarHBondContact OD1-CB 3.48Å; D190-S324 PolarHBondContact OD1-OG 2.79Å; N193-S324 VanDerWaalsContact ND2-CA 3.27Å; N193-S324 WeakPolarHBondContact ND2-CA 3.39Å; N193-S324 PolarHBondContact ND2-N 2.97Å; N193-S324 PolarHBondContact ND2-OG 2.91Å; I320-S324 WeakPolarHBondContact O-CB 3.47Å; I320-S324 PolarHBondContact O-N 3.03Å; I320-S324 PolarHBondContact O-OG 3.43Å; S324-M327 PolarHBondContact O-N 2.94Å; S324-S328 WeakPolarHBondContact O-CB 3.16Å; S324-S328 PolarHBondContact O-N 3.43Å; S324-S328 PolarHBondContact O-OG 2.92Å
325A95.1Very high94.8Very high5 Ų58.4 Ų8.44%0.0416%0.055CC..Hα-helixtrans-64.2-43.6178.500000111.1E321 C323 M327 S328 F329 I384E321-A325 WeakPolarHBondContact O-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.18Å; C323-A325 PolarHBondContact O-N 3.18Å; A325-M327 PolarHBondContact O-N 3.16Å; A325-S328 PolarHBondContact O-N 3.12Å; A325-F329 HydrophobicContact CB-CE2 4.3Å; A325-F329 WeakPolarHBondContact O-CD2 3.36Å; A325-F329 WeakPolarHBondContact O-CG 3.38Å; A325-F329 PolarHBondContact O-N 3.39Å; A325-I384 HydrophobicContact CB-CD1 3.64Å; A325-I384 HydrophobicContact CB-CG1 4.28Å; A325-I384 HydrophobicContact CB-CG2 4.25Å
326S98.1Very high95.1Very high5 Ų511.9 Ų11.94%0.0357%0.07CC..Hα-helixtrans-60.2-48177.3-57.50000112T322 C323 S328 F329 A330 T378 I384T322-S326 WeakPolarHBondContact O-CB 3.35Å; T322-S326 PolarHBondContact O-N 3.33Å; T322-S326 VanDerWaalsContact O-N 3.1Å; T322-S326 PolarHBondContact O-OG 2.88Å; C323-S326 PolarHBondContact O-N 2.79Å; S326-S328 VanDerWaalsContact C-N 3.34Å; S326-S328 PolarHBondContact O-N 3.21Å; S326-F329 PolarHBondContact O-N 2.92Å; S326-A330 WeakPolarHBondContact O-CB 3.35Å; S326-A330 PolarHBondContact O-N 2.67Å; S326-T378 WeakPolarHBondContact O-CG2 3.19Å; S326-I384 WeakPolarHBondContact OG-CG1 3.46Å
327M98.4Very high95.5Very high0 Ų014.7 Ų14.70%08%0.083CC..Hα-helixtrans-61.4-43.1176.2-72.2174.560.500111.8C189 Y192 C323 S324 A325 F329 A330 L331 I475 G478C189-M327 HydrophobicContact CB-CB 4.35Å; Y192-M327 HydrophobicContact CD1-CE 3.7Å; Y192-M327 HydrophobicContact CD1-SD 3.68Å; Y192-M327 HydrophobicContact CE1-CE 3.87Å; Y192-M327 HydrophobicContact CE1-SD 3.6Å; Y192-M327 VanDerWaalsContact CE1-SD 3.6Å; C323-M327 WeakPolarHBondContact O-CB 3.3Å; C323-M327 VanDerWaalsContact O-CG 3.32Å; C323-M327 WeakPolarHBondContact O-CG 3.45Å; C323-M327 PolarHBondContact O-N 3.35Å; S324-M327 PolarHBondContact O-N 2.94Å; A325-M327 PolarHBondContact O-N 3.16Å; M327-F329 PolarHBondContact O-N 3.37Å; M327-A330 PolarHBondContact O-N 2.86Å; M327-L331 WeakPolarHBondContact O-CB 3.33Å; M327-L331 VanDerWaalsContact O-CG 3.31Å; M327-L331 WeakPolarHBondContact O-CG 3.48Å; M327-L331 PolarHBondContact O-N 3.07Å; M327-I475 HydrophobicContact CG-CB 4.45Å; M327-I475 HydrophobicContact CG-CG1 4.46Å; M327-I475 HydrophobicContact CG-CG2 4.1Å; M327-G478 VanDerWaalsContact CE-CA 3.47Å
328S97.9Very high96.1Very high3 Ų317.4 Ų17.42%0.02110%0.101CC..Hα-helixtrans-62-42.8-180-58.50000112K186 S324 A325 S326 Y332K186-S328 VanDerWaalsContact CA-OG 3.29Å; K186-S328 WeakPolarHBondContact CA-OG 3.4Å; S324-S328 WeakPolarHBondContact O-CB 3.16Å; S324-S328 PolarHBondContact O-N 3.43Å; S324-S328 PolarHBondContact O-OG 2.92Å; A325-S328 PolarHBondContact O-N 3.12Å; S326-S328 VanDerWaalsContact C-N 3.34Å; S326-S328 PolarHBondContact O-N 3.21Å; S328-Y332 VanDerWaalsContact O-CB 3.29Å; S328-Y332 WeakPolarHBondContact O-CB 3.45Å; S328-Y332 PolarHBondContact O-N 2.96Å
329F98.4Very high96.5Very high4 Ų423.2 Ų23.22%0.01813%0.127CC..Hα-helixtrans-69.8-38.1176.5-69.3-48.6000112.9A325 S326 M327 Y332 E333 T378 Y382 I384 I498 F500 I513A325-F329 HydrophobicContact CB-CE2 4.3Å; A325-F329 WeakPolarHBondContact O-CD2 3.36Å; A325-F329 WeakPolarHBondContact O-CG 3.38Å; A325-F329 PolarHBondContact O-N 3.39Å; S326-F329 PolarHBondContact O-N 2.92Å; M327-F329 PolarHBondContact O-N 3.37Å; F329-Y332 WeakPolarHBondContact O-CB 3.38Å; F329-Y332 PolarHBondContact O-N 3.32Å; F329-E333 WeakPolarHBondContact O-CG 3.48Å; F329-E333 PolarHBondContact O-N 2.86Å; F329-T378 HydrophobicContact CB-CG2 3.94Å; F329-Y382 HydrophobicContact CB-CD1 4.44Å; F329-Y382 HydrophobicContact CB-CD2 3.52Å; F329-Y382 HydrophobicContact CB-CE2 3.91Å; F329-Y382 HydrophobicContact CB-CG 3.8Å; F329-Y382 AromaticContact CD1-CD1 3.91Å; F329-Y382 HydrophobicContact CD1-CD1 3.91Å; F329-Y382 HydrophobicContact CD1-CD2 4.4Å; F329-Y382 AromaticContact CD1-CE1 3.98Å; F329-Y382 HydrophobicContact CD1-CE1 3.98Å; F329-Y382 HydrophobicContact CD1-CE2 4.45Å; F329-Y382 HydrophobicContact CD1-CG 4.12Å; F329-Y382 HydrophobicContact CD2-CD1 4.01Å; F329-Y382 HydrophobicContact CD2-CD2 4.32Å; F329-Y382 AromaticContact CD2-CG 3.7Å; F329-Y382 HydrophobicContact CD2-CG 3.7Å; F329-Y382 HydrophobicContact CE1-CD1 4.13Å; F329-Y382 HydrophobicContact CE1-CE1 4.26Å; F329-Y382 HydrophobicContact CE2-CD1 4.19Å; F329-Y382 HydrophobicContact CE2-CG 4.28Å; F329-Y382 AromaticContact CG-CD1 3.87Å; F329-Y382 HydrophobicContact CG-CD1 3.87Å; F329-Y382 AromaticContact CG-CD2 3.86Å; F329-Y382 HydrophobicContact CG-CD2 3.86Å; F329-Y382 HydrophobicContact CG-CE1 4.31Å; F329-Y382 HydrophobicContact CG-CE2 4.29Å; F329-Y382 AromaticContact CG-CG 3.61Å; F329-Y382 HydrophobicContact CG-CG 3.61Å; F329-Y382 HydrophobicContact CZ-CD1 4.25Å; F329-I384 HydrophobicContact CD2-CD1 3.79Å; F329-I384 HydrophobicContact CE2-CD1 3.74Å; F329-I498 HydrophobicContact CD1-CD1 4.47Å; F329-I498 HydrophobicContact CD1-CG1 4.25Å; F329-I498 HydrophobicContact CE1-CB 4.49Å; F329-I498 HydrophobicContact CE1-CD1 4.21Å; F329-I498 HydrophobicContact CE1-CG1 4.08Å; F329-I498 HydrophobicContact CE1-CG2 3.71Å; F329-I498 HydrophobicContact CZ-CG2 4.35Å; F329-F500 HydrophobicContact CZ-CE1 4.31Å; F329-I513 HydrophobicContact CD1-CD1 4.01Å; F329-I513 HydrophobicContact CE1-CD1 3.98Å
330A98.6Very high96.8Very high1 Ų124.1 Ų24.11%0.00813%0.129CC..Hα-helixtrans-61.4-48.9173.800000111.2S326 M327 Y332 E333 L334 T378 L479S326-A330 WeakPolarHBondContact O-CB 3.35Å; S326-A330 PolarHBondContact O-N 2.67Å; M327-A330 PolarHBondContact O-N 2.86Å; A330-Y332 VanDerWaalsContact C-N 3.3Å; A330-Y332 PolarHBondContact O-N 3.45Å; A330-E333 PolarHBondContact O-N 3.28Å; A330-L334 WeakPolarHBondContact O-CB 3.41Å; A330-L334 WeakPolarHBondContact O-CG 3.29Å; A330-L334 PolarHBondContact O-N 2.97Å; A330-T378 HydrophobicContact CB-CG2 3.94Å; A330-T378 WeakPolarHBondContact CB-OG1 3.46Å; A330-L479 HydrophobicContact CB-CD1 3.9Å; A330-L479 HydrophobicContact CB-CD2 3.9Å
331L98.6Very high97.1Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-62.2-38.1177.8-70.4168.9000111.9I185 M327 L334 A335 L479 F482 L483 V488 L515I185-L331 HydrophobicContact CG2-CB 4.02Å; I185-L331 HydrophobicContact CG2-CD1 3.51Å; I185-L331 HydrophobicContact CG2-CG 4.42Å; M327-L331 WeakPolarHBondContact O-CB 3.33Å; M327-L331 VanDerWaalsContact O-CG 3.31Å; M327-L331 WeakPolarHBondContact O-CG 3.48Å; M327-L331 PolarHBondContact O-N 3.07Å; L331-L334 PolarHBondContact O-N 2.93Å; L331-A335 WeakPolarHBondContact O-CB 3.35Å; L331-A335 PolarHBondContact O-N 3.46Å; L331-L479 HydrophobicContact CD2-CD2 3.96Å; L331-L479 HydrophobicContact CG-CD2 3.85Å; L331-F482 HydrophobicContact CD1-CD1 4.37Å; L331-F482 HydrophobicContact CD1-CD2 3.72Å; L331-F482 HydrophobicContact CD1-CE1 4.37Å; L331-F482 HydrophobicContact CD1-CE2 3.69Å; L331-F482 HydrophobicContact CD1-CG 4.08Å; L331-F482 HydrophobicContact CD1-CZ 4.05Å; L331-F482 HydrophobicContact CD2-CD1 3.94Å; L331-F482 HydrophobicContact CD2-CE1 4.3Å; L331-F482 HydrophobicContact CD2-CG 4.12Å; L331-L483 HydrophobicContact CD2-CD1 4.23Å; L331-L483 HydrophobicContact CD2-CD2 3.92Å; L331-L483 HydrophobicContact CD2-CG 4.07Å; L331-V488 HydrophobicContact CD2-CG1 4.25Å; L331-V488 HydrophobicContact CD2-CG2 4.17Å; L331-L515 HydrophobicContact CB-CD1 4.23Å; L331-L515 WeakPolarHBondContact O-CD1 3.49Å
332Y98.3Very high97.6Very high1 Ų126.7 Ų26.70%0.00415%0.148CC..Hα-helixtrans-59.8-49.7173.8172.4-100.9000112.5S328 F329 A330 A335 K336 T494 V495 E496 R497 I498 I513S328-Y332 VanDerWaalsContact O-CB 3.29Å; S328-Y332 WeakPolarHBondContact O-CB 3.45Å; S328-Y332 PolarHBondContact O-N 2.96Å; F329-Y332 WeakPolarHBondContact O-CB 3.38Å; F329-Y332 PolarHBondContact O-N 3.32Å; A330-Y332 VanDerWaalsContact C-N 3.3Å; A330-Y332 PolarHBondContact O-N 3.45Å; Y332-A335 PolarHBondContact O-N 2.99Å; Y332-K336 HydrophobicContact CD1-CD 4.38Å; Y332-K336 HydrophobicContact CE1-CD 3.75Å; Y332-K336 HydrophobicContact CE2-CD 4.12Å; Y332-K336 WeakPolarHBondContact O-CG 3.09Å; Y332-K336 PolarHBondContact O-N 3.43Å; Y332-K336 PolarHBondContact OH-NZ 3.37Å; Y332-T494 HydrophobicContact CD2-CG2 4.32Å; Y332-T494 HydrophobicContact CE2-CG2 3.98Å; Y332-V495 HydrophobicContact CE2-CG2 4.02Å; Y332-V495 WeakPolarHBondContact CE2-O 3.39Å; Y332-V495 PolarHBondContact OH-O 2.93Å; Y332-E496 PolarHBondContact OH-O 3.32Å; Y332-R497 PolarHBondContact OH-N 3.47Å; Y332-I498 HydrophobicContact CD1-CD1 4.15Å; Y332-I498 HydrophobicContact CD1-CG1 3.9Å; Y332-I498 HydrophobicContact CD2-CD1 4.18Å; Y332-I498 HydrophobicContact CE1-CD1 4.03Å; Y332-I498 HydrophobicContact CE1-CG1 3.58Å; Y332-I498 HydrophobicContact CE2-CD1 4.03Å; Y332-I498 HydrophobicContact CE2-CG1 4.45Å; Y332-I498 HydrophobicContact CG-CD1 4.22Å; Y332-I498 HydrophobicContact CG-CG1 4.47Å; Y332-I513 HydrophobicContact CD2-CG2 3.8Å; Y332-I513 HydrophobicContact CG-CG2 4.34Å
333E98.4Very high97.7Very high5 Ų529.3 Ų29.32%0.02315%0.154CC..Hα-helixtrans-67.7-37179.4-71.8-66.2158.700112.3F329 A330 K336 Q337 K381 Y382 F437F329-E333 WeakPolarHBondContact O-CG 3.48Å; F329-E333 PolarHBondContact O-N 2.86Å; A330-E333 PolarHBondContact O-N 3.28Å; E333-K336 PolarHBondContact O-N 2.99Å; E333-Q337 PolarHBondContact O-N 3.48Å; E333-K381 VanDerWaalsContact CD-NZ 3.3Å; E333-K381 IonicContact OE1-NZ 2.73Å; E333-K381 PolarHBondContact OE1-NZ 2.82Å; E333-K381 IonicContact OE2-NZ 3.29Å; E333-K381 PolarHBondContact OE2-NZ 3.21Å; E333-Y382 HydrophobicContact CG-CE2 3.87Å; E333-Y382 PolarHBondContact OE1-OH 2.83Å; E333-F437 HydrophobicContact CB-CB 4.47Å; E333-F437 HydrophobicContact CB-CD1 3.95Å; E333-F437 HydrophobicContact CB-CD2 3.79Å; E333-F437 HydrophobicContact CB-CE1 4.06Å; E333-F437 HydrophobicContact CB-CE2 3.88Å; E333-F437 HydrophobicContact CB-CG 3.82Å; E333-F437 HydrophobicContact CB-CZ 4.02Å; E333-F437 HydrophobicContact CG-CB 4.22Å; E333-F437 HydrophobicContact CG-CD1 4.48Å; E333-F437 HydrophobicContact CG-CD2 3.51Å; E333-F437 HydrophobicContact CG-CE2 3.88Å; E333-F437 HydrophobicContact CG-CG 3.84Å; E333-F437 WeakPolarHBondContact OE2-CB 3.43Å
334L98.5Very high97.8Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-68-35.1175.4-70.5169.8000112.6A330 L331 K336 Q337 M340 Q341 L344 V374 L483A330-L334 WeakPolarHBondContact O-CB 3.41Å; A330-L334 WeakPolarHBondContact O-CG 3.29Å; A330-L334 PolarHBondContact O-N 2.97Å; L331-L334 PolarHBondContact O-N 2.93Å; L334-K336 VanDerWaalsContact C-N 3.28Å; L334-K336 PolarHBondContact O-N 3.27Å; L334-Q337 CarbonylContact O-C 3.53Å; L334-Q337 PolarHBondContact O-N 3.06Å; L334-M340 HydrophobicContact CD2-CG 4.15Å; L334-M340 HydrophobicContact CD2-SD 4.26Å; L334-Q341 HydrophobicContact CB-CB 4.29Å; L334-Q341 HydrophobicContact CB-CG 4.25Å; L334-Q341 HydrophobicContact CD2-CB 4.4Å; L334-Q341 PolarHBondContact O-NE2 3.33Å; L334-Q341 VanDerWaalsContact O-NE2 3.1Å; L334-L344 HydrophobicContact CD1-CD2 3.76Å; L334-L344 HydrophobicContact CD2-CD2 4.19Å; L334-V374 HydrophobicContact CD1-CG1 4.18Å; L334-V374 HydrophobicContact CD2-CG1 4.2Å; L334-V374 HydrophobicContact CD2-CG2 4.45Å; L334-V374 HydrophobicContact CG-CG1 4.34Å; L334-L483 HydrophobicContact CD1-CD1 3.63Å
335A97.9Very high97.9Very high4 Ų429.7 Ų29.73%0.03316%0.155CC..Hα-helixtrans-66.1-32.5175.700000112.3L331 Y332 Q337 V488 I490 L515L331-A335 WeakPolarHBondContact O-CB 3.35Å; L331-A335 PolarHBondContact O-N 3.46Å; Y332-A335 PolarHBondContact O-N 2.99Å; A335-Q337 PolarHBondContact O-N 2.97Å; A335-V488 HydrophobicContact CB-CB 4.21Å; A335-V488 HydrophobicContact CB-CG2 3.91Å; A335-I490 HydrophobicContact CB-CG2 4.28Å; A335-L515 HydrophobicContact CB-CD1 3.84Å; A335-L515 HydrophobicContact CB-CD2 3.7Å; A335-L515 HydrophobicContact CB-CG 4.35Å
336K97.3Very high98.1Very high89 Ų8936.1 Ų36.139%0.38718%0.178SC..THydrogen-bonded Turntrans-73.9-15.1174.9-67.6177.965.5167.80113.2Y332 E333 L334 I490 E496Y332-K336 HydrophobicContact CD1-CD 4.38Å; Y332-K336 HydrophobicContact CE1-CD 3.75Å; Y332-K336 HydrophobicContact CE2-CD 4.12Å; Y332-K336 WeakPolarHBondContact O-CG 3.09Å; Y332-K336 PolarHBondContact O-N 3.43Å; Y332-K336 PolarHBondContact OH-NZ 3.37Å; E333-K336 PolarHBondContact O-N 2.99Å; L334-K336 VanDerWaalsContact C-N 3.28Å; L334-K336 PolarHBondContact O-N 3.27Å; K336-I490 HydrophobicContact CG-CG2 4Å; K336-E496 PolarHBondContact NZ-O 2.9Å
337Q97.7Very high98.1Very high60 Ų6037.6 Ų37.628%0.2818%0.184SC..  trans-13176-173.5-59.8-170.870.200111.7E333 L334 A335 L339 M340 Q341 F437E333-Q337 PolarHBondContact O-N 3.48Å; L334-Q337 CarbonylContact O-C 3.53Å; L334-Q337 PolarHBondContact O-N 3.06Å; A335-Q337 PolarHBondContact O-N 2.97Å; Q337-L339 VanDerWaalsContact C-N 3.29Å; Q337-L339 PolarHBondContact O-N 3.01Å; Q337-L339 VanDerWaalsContact O-N 3.16Å; Q337-M340 HydrophobicContact CB-CB 3.75Å; Q337-M340 HydrophobicContact CB-SD 4.41Å; Q337-M340 VanDerWaalsContact O-CB 3.31Å; Q337-M340 WeakPolarHBondContact O-CB 3.44Å; Q337-M340 PolarHBondContact O-N 2.96Å; Q337-Q341 PolarHBondContact O-N 3.27Å; Q337-F437 PolarHBondContact NE2-O 3.02Å
338P96.6Very high98Very high88 Ų8837.6 Ų37.657%0.57118%0.184SC*.Hα-helixtrans-57.2-34.1-173.6-27.635.4000115.2S342P338-S342 WeakPolarHBondContact O-CB 3.18Å; P338-S342 PolarHBondContact O-N 2.74Å; P338-S342 PolarHBondContact O-OG 3.32Å
339L97.6Very high97.9Very high155 Ų15543.6 Ų43.681%0.81221%0.207SC*.Hα-helixtrans-67.7-41.1176.3-66.3178.8000111.8Q337 S342 R343Q337-L339 VanDerWaalsContact C-N 3.29Å; Q337-L339 PolarHBondContact O-N 3.01Å; Q337-L339 VanDerWaalsContact O-N 3.16Å; L339-S342 PolarHBondContact O-N 3.49Å; L339-R343 PolarHBondContact O-N 3.01Å
340M98Very high97.7Very high29 Ų2948.8 Ų48.814%0.14323%0.231CC..Hα-helixtrans-64.1-46.3176.3-170-177.2-74.600110.8L334 Q337 S342 R343 L344 F370 F437 P439L334-M340 HydrophobicContact CD2-CG 4.15Å; L334-M340 HydrophobicContact CD2-SD 4.26Å; Q337-M340 HydrophobicContact CB-CB 3.75Å; Q337-M340 HydrophobicContact CB-SD 4.41Å; Q337-M340 VanDerWaalsContact O-CB 3.31Å; Q337-M340 WeakPolarHBondContact O-CB 3.44Å; Q337-M340 PolarHBondContact O-N 2.96Å; M340-S342 VanDerWaalsContact C-N 3.31Å; M340-S342 PolarHBondContact O-N 3.44Å; M340-R343 PolarHBondContact O-N 3.3Å; M340-L344 PolarHBondContact O-N 3.29Å; M340-F370 HydrophobicContact CG-CE1 4.06Å; M340-F370 HydrophobicContact CG-CZ 3.72Å; M340-F437 HydrophobicContact CE-CD1 4.15Å; M340-F437 HydrophobicContact CE-CE1 4.49Å; M340-F437 HydrophobicContact SD-CD1 3.8Å; M340-F437 HydrophobicContact SD-CE1 3.64Å; M340-P439 HydrophobicContact CE-CG 3.8Å; M340-P439 HydrophobicContact SD-CG 3.63Å
341Q98.6Very high97.6Very high8 Ų849.3 Ų49.34%0.03724%0.235CC..Hα-helixtrans-61.6-40.5175.2-166.9-173.1124.300111.7L334 Q337 R343 L344 R345 L483 R487 V488L334-Q341 HydrophobicContact CB-CB 4.29Å; L334-Q341 HydrophobicContact CB-CG 4.25Å; L334-Q341 HydrophobicContact CD2-CB 4.4Å; L334-Q341 PolarHBondContact O-NE2 3.33Å; L334-Q341 VanDerWaalsContact O-NE2 3.1Å; Q337-Q341 PolarHBondContact O-N 3.27Å; Q341-R343 VanDerWaalsContact C-N 3.35Å; Q341-R343 PolarHBondContact O-N 2.73Å; Q341-L344 PolarHBondContact O-N 2.88Å; Q341-R345 HydrophobicContact CG-CG 4.32Å; Q341-R345 WeakPolarHBondContact O-CB 3.44Å; Q341-R345 VanDerWaalsContact O-CG 3.25Å; Q341-R345 WeakPolarHBondContact O-CG 3.37Å; Q341-R345 PolarHBondContact O-N 3.17Å; Q341-L483 HydrophobicContact CG-CD2 4.38Å; Q341-R487 VanDerWaalsContact OE1-CA 3.27Å; Q341-V488 PolarHBondContact NE2-O 2.65Å; Q341-V488 VanDerWaalsContact OE1-N 3.1Å
342S98.1Very high97.4Very high65 Ų6550.1 Ų50.146%0.45524%0.238SC..Hα-helixtrans-62.7-40177.1-63.90000112.3P338 L339 M340 R346P338-S342 WeakPolarHBondContact O-CB 3.18Å; P338-S342 PolarHBondContact O-N 2.74Å; P338-S342 PolarHBondContact O-OG 3.32Å; L339-S342 PolarHBondContact O-N 3.49Å; M340-S342 VanDerWaalsContact C-N 3.31Å; M340-S342 PolarHBondContact O-N 3.44Å; S342-R346 PolarHBondContact O-N 3.1Å
343R98.2Very high97.1Very high92 Ų9254 Ų5435%0.34727%0.271SS..Hα-helixtrans-60.8-49.3173177.8178.3174.1-170.5-3.5111.4L339 M340 Q341 R346 E347 F370 E440L339-R343 PolarHBondContact O-N 3.01Å; M340-R343 PolarHBondContact O-N 3.3Å; Q341-R343 VanDerWaalsContact C-N 3.35Å; Q341-R343 PolarHBondContact O-N 2.73Å; R343-R346 WeakPolarHBondContact O-CB 3.21Å; R343-R346 PolarHBondContact O-N 3.03Å; R343-E347 PolarHBondContact O-N 3.48Å; R343-F370 HydrophobicContact CB-CD1 4.42Å; R343-F370 HydrophobicContact CB-CE1 4.07Å; R343-F370 HydrophobicContact CG-CD1 3.88Å; R343-F370 HydrophobicContact CG-CE1 3.89Å; R343-F370 HydrophobicContact CG-CG 4.2Å; R343-F370 HydrophobicContact CG-CZ 4.26Å; R343-F370 VanDerWaalsContact NE-CD2 3.3Å; R343-F370 VanDerWaalsContact NH1-CE2 3.25Å; R343-E440 IonicContact CZ-OE1 2.84Å; R343-E440 IonicContact NH1-OE1 2.64Å; R343-E440 PolarHBondContact NH1-OE1 3.24Å; R343-E440 IonicContact NH2-OE1 3.79Å; R343-E440 PolarHBondContact NH2-OE1 3.23Å
344L98.5Very high96.7Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-61.9-45.5178179.658.4000112L334 M340 Q341 R346 E347 I348 F370 L371 V374 L483L334-L344 HydrophobicContact CD1-CD2 3.76Å; L334-L344 HydrophobicContact CD2-CD2 4.19Å; M340-L344 PolarHBondContact O-N 3.29Å; Q341-L344 PolarHBondContact O-N 2.88Å; L344-R346 PolarHBondContact O-N 3.32Å; L344-E347 PolarHBondContact O-N 3.03Å; L344-I348 HydrophobicContact CD1-CD1 4.26Å; L344-I348 HydrophobicContact CD1-CG1 4.42Å; L344-I348 HydrophobicContact CG-CD1 3.92Å; L344-I348 WeakPolarHBondContact O-CG1 3.45Å; L344-I348 PolarHBondContact O-N 2.88Å; L344-F370 HydrophobicContact CB-CD1 3.84Å; L344-F370 HydrophobicContact CB-CE1 3.97Å; L344-F370 HydrophobicContact CD1-CD1 4.18Å; L344-L371 HydrophobicContact CD1-CB 3.71Å; L344-L371 HydrophobicContact CD1-CD1 3.99Å; L344-L371 HydrophobicContact CD1-CG 4.43Å; L344-L371 HydrophobicContact CD2-CD1 4.36Å; L344-V374 HydrophobicContact CD2-CG1 4.35Å; L344-V374 HydrophobicContact CD2-CG2 4.43Å; L344-L483 HydrophobicContact CD2-CD1 3.85Å
345R98Very high96.1Very high10 Ų1058.5 Ų58.54%0.03830%0.301CS..Hα-helixtrans-59.9-32.6176.7-75.1-179.556.462.329.1112.5Q341 R349 L483 H484 H486Q341-R345 HydrophobicContact CG-CG 4.32Å; Q341-R345 WeakPolarHBondContact O-CB 3.44Å; Q341-R345 VanDerWaalsContact O-CG 3.25Å; Q341-R345 WeakPolarHBondContact O-CG 3.37Å; Q341-R345 PolarHBondContact O-N 3.17Å; R345-R349 WeakPolarHBondContact O-CG 3.32Å; R345-R349 PolarHBondContact O-N 2.97Å; R345-R349 VanDerWaalsContact O-N 3.07Å; R345-L483 HydrophobicContact CG-CB 4.24Å; R345-L483 VanDerWaalsContact NH1-C 3.33Å; R345-L483 PolarHBondContact NH1-O 3.49Å; R345-H484 PolarHBondContact NH1-O 3.49Å; R345-H484 PolarHBondContact NH2-O 2.91Å; R345-H486 PolarHBondContact NH1-O 3Å
346R97.7Very high95.3Very high140 Ų14064.4 Ų64.453%0.52834%0.339SS..Hα-helixtrans-67.5-49.8175.2-178.6178.363.1-127.9-0.5110.9S342 R343 L344 I348 R349 E350S342-R346 PolarHBondContact O-N 3.1Å; R343-R346 WeakPolarHBondContact O-CB 3.21Å; R343-R346 PolarHBondContact O-N 3.03Å; L344-R346 PolarHBondContact O-N 3.32Å; R346-I348 VanDerWaalsContact C-N 3.27Å; R346-I348 PolarHBondContact O-N 2.78Å; R346-R349 PolarHBondContact O-N 2.85Å; R346-R349 VanDerWaalsContact O-N 3.13Å; R346-E350 HydrophobicContact CG-CG 4.48Å; R346-E350 VanDerWaalsContact CG-OE1 3.27Å; R346-E350 WeakPolarHBondContact CG-OE1 3.21Å; R346-E350 WeakPolarHBondContact O-CG 3.36Å; R346-E350 PolarHBondContact O-N 2.8Å
347E97.9Very high94.6Very high35 Ų3566 Ų6616%0.16435%0.351CS..Hα-helixtrans-56.4-42.2175.3-177-177.7-116.100111.6R343 L344 E350 A351 M368 E369 F370 L371R343-E347 PolarHBondContact O-N 3.48Å; L344-E347 PolarHBondContact O-N 3.03Å; E347-E350 PolarHBondContact O-N 2.81Å; E347-A351 PolarHBondContact O-N 2.81Å; E347-M368 HydrophobicContact CG-CB 4.18Å; E347-M368 HydrophobicContact CG-CG 4.11Å; E347-E369 PolarHBondContact OE1-N 3.41Å; E347-E369 VanDerWaalsContact OE1-N 3.12Å; E347-F370 WeakPolarHBondContact OE1-CB 3.46Å; E347-F370 PolarHBondContact OE1-N 2.95Å; E347-F370 WeakPolarHBondContact OE2-CB 3.37Å; E347-F370 PolarHBondContact OE2-N 3.36Å; E347-L371 PolarHBondContact OE2-N 3.47Å
348I97.5Very high93.8Very high0 Ų065.2 Ų65.20%036%0.36CS..Hα-helixtrans-59.6-50174.9-69.9165.9000111.4L344 R346 E350 A351 F352 V480 L483 H484L344-I348 HydrophobicContact CD1-CD1 4.26Å; L344-I348 HydrophobicContact CD1-CG1 4.42Å; L344-I348 HydrophobicContact CG-CD1 3.92Å; L344-I348 WeakPolarHBondContact O-CG1 3.45Å; L344-I348 PolarHBondContact O-N 2.88Å; R346-I348 VanDerWaalsContact C-N 3.27Å; R346-I348 PolarHBondContact O-N 2.78Å; I348-E350 VanDerWaalsContact C-N 3.34Å; I348-E350 PolarHBondContact O-N 3.04Å; I348-A351 WeakPolarHBondContact O-CB 3.21Å; I348-A351 PolarHBondContact O-N 2.85Å; I348-F352 HydrophobicContact CG2-CD2 3.94Å; I348-F352 HydrophobicContact CG2-CE2 3.92Å; I348-F352 WeakPolarHBondContact O-CD2 3.25Å; I348-F352 PolarHBondContact O-N 3.1Å; I348-F352 VanDerWaalsContact O-N 3.13Å; I348-V480 HydrophobicContact CG1-CG2 4.21Å; I348-V480 HydrophobicContact CG2-CG1 3.98Å; I348-L483 HydrophobicContact CD1-CB 3.84Å; I348-H484 HydrophobicContact CG2-CB 4.13Å
349R95.4Very high93.3Very high130 Ų13066.8 Ų66.849%0.49135%0.354SS..Hα-helixtrans-63.1-39.9-179.9-75-179.3-127.1171.92.3112.3R345 R346 A351 F352 A353R345-R349 WeakPolarHBondContact O-CG 3.32Å; R345-R349 PolarHBondContact O-N 2.97Å; R345-R349 VanDerWaalsContact O-N 3.07Å; R346-R349 PolarHBondContact O-N 2.85Å; R346-R349 VanDerWaalsContact O-N 3.13Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 3.45Å; R349-F352 PolarHBondContact O-N 2.93Å; R349-A353 WeakPolarHBondContact O-CB 3.25Å; R349-A353 PolarHBondContact O-N 2.67Å
350E95.1Very high93Very high113 Ų11359.5 Ų59.553%0.52832%0.316SS..Hα-helixtrans-60.5-40175.7-73.2166.9-176.700111.3R346 E347 I348 A353 S354R346-E350 HydrophobicContact CG-CG 4.48Å; R346-E350 VanDerWaalsContact CG-OE1 3.27Å; R346-E350 WeakPolarHBondContact CG-OE1 3.21Å; R346-E350 WeakPolarHBondContact O-CG 3.36Å; R346-E350 PolarHBondContact O-N 2.8Å; E347-E350 PolarHBondContact O-N 2.81Å; I348-E350 VanDerWaalsContact C-N 3.34Å; I348-E350 PolarHBondContact O-N 3.04Å; E350-A353 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-N 2.69Å
351A95.3Very high92.8Very high11 Ų1160.1 Ų60.19%0.09132%0.322CS..Hα-helixtrans-66.3-42.1176.500000113.3E347 I348 R349 A353 S354 L360 A364 M368E347-A351 PolarHBondContact O-N 2.81Å; I348-A351 WeakPolarHBondContact O-CB 3.21Å; I348-A351 PolarHBondContact O-N 2.85Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 3.45Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-S354 PolarHBondContact O-N 2.97Å; A351-S354 PolarHBondContact O-OG 3.38Å; A351-L360 HydrophobicContact CB-CD1 4.1Å; A351-A364 HydrophobicContact CB-CB 4.34Å; A351-M368 HydrophobicContact CB-CE 3.07Å
352F94.3Very high92.5Very high17 Ų1762.6 Ų62.68%0.07533%0.331CS..Hα-helixtrans-63.2-39.4172.8-84.5-82.1000111.9I348 R349 S354 G358 L360 V480 Y481 H484I348-F352 HydrophobicContact CG2-CD2 3.94Å; I348-F352 HydrophobicContact CG2-CE2 3.92Å; I348-F352 WeakPolarHBondContact O-CD2 3.25Å; I348-F352 PolarHBondContact O-N 3.1Å; I348-F352 VanDerWaalsContact O-N 3.13Å; R349-F352 PolarHBondContact O-N 2.93Å; F352-S354 VanDerWaalsContact C-N 3.28Å; F352-S354 PolarHBondContact O-N 3.14Å; F352-G358 WeakPolarHBondContact CD1-O 3.46Å; F352-L360 HydrophobicContact CE1-CB 4.16Å; F352-L360 HydrophobicContact CE2-CD1 4.49Å; F352-L360 HydrophobicContact CZ-CB 4.3Å; F352-L360 HydrophobicContact CZ-CD2 4.46Å; F352-V480 HydrophobicContact CE2-CG1 3.63Å; F352-V480 HydrophobicContact CZ-CG1 4.15Å; F352-Y481 HydrophobicContact CE1-CE1 4.3Å; F352-Y481 HydrophobicContact CZ-CD1 4.37Å; F352-Y481 AromaticContact CZ-CE1 3.9Å; F352-Y481 HydrophobicContact CZ-CE1 3.9Å; F352-H484 AromaticContact CD1-CE1 3.77Å; F352-H484 AromaticContact CD2-CD2 3.42Å; F352-H484 VanDerWaalsContact CD2-CD2 3.42Å; F352-H484 WeakPolarHBondContact CD2-CD2 3.27Å; F352-H484 AromaticContact CD2-CE1 3.79Å; F352-H484 AromaticContact CD2-CG 3.81Å; F352-H484 AromaticContact CD2-NE2 3.45Å; F352-H484 WeakPolarHBondContact CD2-NE2 3.27Å; F352-H484 AromaticContact CE1-CE1 3.87Å; F352-H484 HydrophobicContact CE2-CB 3.95Å; F352-H484 AromaticContact CE2-CD2 3.65Å; F352-H484 AromaticContact CE2-CE1 3.89Å; F352-H484 AromaticContact CE2-CG 3.52Å; F352-H484 AromaticContact CE2-ND1 3.7Å; F352-H484 AromaticContact CE2-NE2 3.92Å; F352-H484 AromaticContact CG-CE1 3.74Å; F352-H484 AromaticContact CG-NE2 3.52Å; F352-H484 HydrophobicContact CZ-CB 4.47Å; F352-H484 AromaticContact CZ-CE1 3.94Å; F352-H484 AromaticContact CZ-CG 3.99Å; F352-H484 AromaticContact CZ-ND1 3.71Å
353A92.3Very high92.2Very high84 Ų8463 Ų6369%0.69433%0.326SS*.Hα-helixtrans-69.9-22.7177.500000113.4R349 E350 A351 N355R349-A353 WeakPolarHBondContact O-CB 3.25Å; R349-A353 PolarHBondContact O-N 2.67Å; E350-A353 PolarHBondContact O-N 2.78Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A353-N355 PolarHBondContact O-N 3.5Å
354S89.7Confident92.1Very high70 Ų7058.9 Ų58.949%0.4931%0.312SS..THydrogen-bonded Turntrans-70.9-14.6-180770000114.3E350 A351 F352E350-S354 PolarHBondContact O-N 2.69Å; A351-S354 PolarHBondContact O-N 2.97Å; A351-S354 PolarHBondContact O-OG 3.38Å; F352-S354 VanDerWaalsContact C-N 3.28Å; F352-S354 PolarHBondContact O-N 3.14Å
355N86.2Confident91.9Very high29 Ų2959 Ų5916%0.15531%0.312CS..SBendtrans-113.1119.2178.3-169.2-7.5000110.2A353 N357 G358 R359 T361A353-N355 PolarHBondContact O-N 3.5Å; N355-N357 PolarHBondContact O-N 3.04Å; N355-N357 VanDerWaalsContact OD1-CG 3.27Å; N355-N357 PolarHBondContact OD1-N 2.7Å; N355-N357 PolarHBondContact OD1-OD1 3.14Å; N355-G358 PolarHBondContact O-N 2.92Å; N355-R359 WeakPolarHBondContact CB-O 3.34Å; N355-R359 PolarHBondContact ND2-O 2.89Å; N355-T361 WeakPolarHBondContact ND2-CG2 3.42Å
356P80.6Confident91.6Very high128 Ų12861.1 Ų61.183%0.83133%0.332SS*.THydrogen-bonded Turntrans-53.1-26.5-178.3-28.535.4000114.8G358P356-G358 PolarHBondContact O-N 2.67Å
357N83.2Confident91.5Very high121 Ų12162.5 Ų62.565%0.64734%0.337SS*.THydrogen-bonded Turntrans-79.1-6.8-177.2-31.44.2000112.2N355 R359N355-N357 PolarHBondContact O-N 3.04Å; N355-N357 VanDerWaalsContact OD1-CG 3.27Å; N355-N357 PolarHBondContact OD1-N 2.7Å; N355-N357 PolarHBondContact OD1-OD1 3.14Å; N357-R359 HydrophobicContact CB-CB 4.38Å; N357-R359 HydrophobicContact CB-CG 4.41Å; N357-R359 PolarHBondContact O-N 3.21Å
358G80.6Confident91.5Very high45 Ų4561 Ų6146%0.46433%0.33SS..SBendtrans65.314.6-17000000113.9F352 N355 P356F352-G358 WeakPolarHBondContact CD1-O 3.46Å; N355-G358 PolarHBondContact O-N 2.92Å; P356-G358 PolarHBondContact O-N 2.67Å
359R86.7Confident91.5Very high120 Ų12068 Ų6845%0.45336%0.363SS..  trans-101.1146.6179.7-71.7-170.369.5167.23111.4E155 N355 N357E155-R359 IonicContact OE1-CZ 3.41Å; E155-R359 IonicContact OE1-NE 3.16Å; E155-R359 PolarHBondContact OE1-NE 2.88Å; E155-R359 VanDerWaalsContact OE1-NE 3.08Å; E155-R359 IonicContact OE1-NH2 2.73Å; E155-R359 IonicContact OE2-CZ 2.86Å; E155-R359 IonicContact OE2-NE 3.52Å; E155-R359 PolarHBondContact OE2-NE 2.94Å; E155-R359 IonicContact OE2-NH2 3.08Å; E155-R359 PolarHBondContact OE2-NH2 3.41Å; N355-R359 WeakPolarHBondContact CB-O 3.34Å; N355-R359 PolarHBondContact ND2-O 2.89Å; N357-R359 HydrophobicContact CB-CB 4.38Å; N357-R359 HydrophobicContact CB-CG 4.41Å; N357-R359 PolarHBondContact O-N 3.21Å
360L92Very high91.6Very high3 Ų362.3 Ų62.32%0.01634%0.341CS..  trans-80.2142.8177.6-164.964.8000109.4F151 E155 A351 F352 A364 V365 M368 L477 V480 Y481F151-L360 WeakPolarHBondContact CE1-O 3.34Å; F151-L360 HydrophobicContact CZ-CG 4.4Å; E155-L360 PolarHBondContact OE1-N 3.14Å; A351-L360 HydrophobicContact CB-CD1 4.1Å; F352-L360 HydrophobicContact CE1-CB 4.16Å; F352-L360 HydrophobicContact CE2-CD1 4.49Å; F352-L360 HydrophobicContact CZ-CB 4.3Å; F352-L360 HydrophobicContact CZ-CD2 4.46Å; L360-A364 HydrophobicContact CD1-CB 4.02Å; L360-V365 HydrophobicContact CD1-CG2 4.09Å; L360-V365 HydrophobicContact CD2-CG2 3.35Å; L360-V365 HydrophobicContact CG-CG2 3.61Å; L360-M368 HydrophobicContact CD1-CE 3.94Å; L360-L477 HydrophobicContact CD2-CD2 3.71Å; L360-V480 HydrophobicContact CD2-CB 4.46Å; L360-V480 HydrophobicContact CD2-CG1 3.63Å; L360-Y481 HydrophobicContact CD2-CE2 4.08Å
361T92.3Very high91.8Very high42 Ų4256.9 Ų56.926%0.25832%0.316SS..  trans-110158.117267.70000110.6N355 E363 A364 V365N355-T361 WeakPolarHBondContact ND2-CG2 3.42Å; T361-E363 PolarHBondContact O-N 2.73Å; T361-A364 WeakPolarHBondContact O-CB 3.31Å; T361-A364 PolarHBondContact O-N 3.17Å; T361-A364 VanDerWaalsContact O-N 3.09Å; T361-A364 WeakPolarHBondContact OG1-CB 3.41Å; T361-A364 PolarHBondContact OG1-N 2.95Å; T361-V365 PolarHBondContact O-N 3.23Å; T361-V365 VanDerWaalsContact O-N 3.14Å
362Y93.1Very high91.9Very high60 Ų6058.5 Ų58.524%0.23532%0.323CS..Hα-helixtrans-54-43.9173.2176.6-93.2000111.2K148 F151 A364 V365 A366 L473K148-Y362 HydrophobicContact CG-CG 4.48Å; F151-Y362 HydrophobicContact CB-CD2 4.49Å; F151-Y362 AromaticContact CD2-CD2 3.82Å; F151-Y362 HydrophobicContact CD2-CD2 3.82Å; F151-Y362 HydrophobicContact CD2-CG 4.32Å; F151-Y362 HydrophobicContact CE2-CD2 4.49Å; F151-Y362 HydrophobicContact CG-CD2 4.4Å; Y362-A364 VanDerWaalsContact C-N 3.34Å; Y362-A364 PolarHBondContact O-N 3.13Å; Y362-V365 PolarHBondContact O-N 2.96Å; Y362-A366 WeakPolarHBondContact O-CB 3.34Å; Y362-A366 PolarHBondContact O-N 3.36Å; Y362-L473 HydrophobicContact CD2-CD1 4.4Å; Y362-L473 HydrophobicContact CD2-CD2 4.2Å; Y362-L473 HydrophobicContact CE2-CD1 4.46Å; Y362-L473 HydrophobicContact CE2-CD2 4.06Å
363E92.6Very high92.1Very high74 Ų7458.5 Ų58.535%0.34632%0.324SS..Hα-helixtrans-68.2-30.3178.8-64.773.2-161.900113K148 T361 R367K148-E363 WeakPolarHBondContact CE-OE1 3.26Å; K148-E363 IonicContact NZ-OE1 2.92Å; K148-E363 PolarHBondContact NZ-OE1 2.84Å; T361-E363 PolarHBondContact O-N 2.73Å; E363-R367 VanDerWaalsContact O-CG 3.31Å; E363-R367 WeakPolarHBondContact O-CG 3.41Å; E363-R367 PolarHBondContact O-N 3.32Å; E363-R367 PolarHBondContact O-NE 2.87Å
364A94.2Very high92.5Very high5 Ų554.5 Ų54.54%0.04129%0.291CS..Hα-helixtrans-67.3-46.5174.300000110.6A351 L360 T361 Y362 A366 R367A351-A364 HydrophobicContact CB-CB 4.34Å; L360-A364 HydrophobicContact CD1-CB 4.02Å; T361-A364 WeakPolarHBondContact O-CB 3.31Å; T361-A364 PolarHBondContact O-N 3.17Å; T361-A364 VanDerWaalsContact O-N 3.09Å; T361-A364 WeakPolarHBondContact OG1-CB 3.41Å; T361-A364 PolarHBondContact OG1-N 2.95Å; Y362-A364 VanDerWaalsContact C-N 3.34Å; Y362-A364 PolarHBondContact O-N 3.13Å; A364-A366 PolarHBondContact O-N 3.19Å; A364-R367 PolarHBondContact O-N 3.18Å
365V95.3Very high92.9Very high1 Ų151.3 Ų51.31%0.00627%0.268CS..Hα-helixtrans-63.1-42176.2-179.10000111.5F151 L360 T361 Y362 R367 M368 L473 K476 L477F151-V365 HydrophobicContact CE2-CG2 4.13Å; F151-V365 HydrophobicContact CZ-CG2 4.27Å; L360-V365 HydrophobicContact CD1-CG2 4.09Å; L360-V365 HydrophobicContact CD2-CG2 3.35Å; L360-V365 HydrophobicContact CG-CG2 3.61Å; T361-V365 PolarHBondContact O-N 3.23Å; T361-V365 VanDerWaalsContact O-N 3.14Å; Y362-V365 PolarHBondContact O-N 2.96Å; V365-R367 PolarHBondContact O-N 3.13Å; V365-M368 PolarHBondContact O-N 3.11Å; V365-L473 HydrophobicContact CG1-CD1 4.2Å; V365-K476 HydrophobicContact CG1-CB 3.95Å; V365-K476 HydrophobicContact CG1-CD 4.12Å; V365-L477 HydrophobicContact CG2-CD2 3.88Å
366A92.6Very high93.5Very high55 Ų5551.5 Ų51.546%0.45527%0.268SS..Hα-helixtrans-64.8-17.7-179.700000113.9Y362 A364Y362-A366 WeakPolarHBondContact O-CB 3.34Å; Y362-A366 PolarHBondContact O-N 3.36Å; A364-A366 PolarHBondContact O-N 3.19Å
367R94.7Very high94.3Very high170 Ų17045.4 Ų45.464%0.64223%0.229SC*.THydrogen-bonded Turntrans-95.8-3.6178.4-73.7-177.7-67.1-174.35.7114E363 A364 V365 E369E363-R367 VanDerWaalsContact O-CG 3.31Å; E363-R367 WeakPolarHBondContact O-CG 3.41Å; E363-R367 PolarHBondContact O-N 3.32Å; E363-R367 PolarHBondContact O-NE 2.87Å; A364-R367 PolarHBondContact O-N 3.18Å; V365-R367 PolarHBondContact O-N 3.13Å; R367-E369 VanDerWaalsContact C-N 3.35Å; R367-E369 PolarHBondContact O-N 3.48Å
368M97.3Very high95.1Very high4 Ų439.8 Ų39.82%0.0220%0.199CC..  trans-77.482.1179.4-66176.8175.900110.8E347 A351 L360 V365 F370 L371 D372 V480E347-M368 HydrophobicContact CG-CB 4.18Å; E347-M368 HydrophobicContact CG-CG 4.11Å; A351-M368 HydrophobicContact CB-CE 3.07Å; L360-M368 HydrophobicContact CD1-CE 3.94Å; V365-M368 PolarHBondContact O-N 3.11Å; M368-F370 VanDerWaalsContact C-N 3.31Å; M368-F370 PolarHBondContact O-N 3.18Å; M368-L371 HydrophobicContact CB-CB 3.65Å; M368-L371 HydrophobicContact CB-CD2 4.13Å; M368-L371 PolarHBondContact O-N 3.45Å; M368-L371 HydrophobicContact SD-CB 4.4Å; M368-L371 HydrophobicContact SD-CD2 3.52Å; M368-L371 VanDerWaalsContact SD-CD2 3.52Å; M368-D372 PolarHBondContact O-N 3.33Å; M368-V480 HydrophobicContact CE-CG2 4.12Å; M368-V480 HydrophobicContact SD-CG2 3.74Å
369E97.4Very high95.9Very high147 Ų14738 Ų3869%0.68718%0.178SC*.Hα-helixtrans-60.5-37.9-177.1-64.5-175.7173.900112.8E347 R367 D372 M373E347-E369 PolarHBondContact OE1-N 3.41Å; E347-E369 VanDerWaalsContact OE1-N 3.12Å; R367-E369 VanDerWaalsContact C-N 3.35Å; R367-E369 PolarHBondContact O-N 3.48Å; E369-D372 WeakPolarHBondContact O-CB 3.47Å; E369-D372 PolarHBondContact O-N 3.03Å; E369-M373 WeakPolarHBondContact O-CG 3.44Å; E369-M373 PolarHBondContact O-N 2.94Å
370F98.6Very high96.5Very high9 Ų932.3 Ų32.34%0.03916%0.157CC..Hα-helixtrans-74.1-37.9-179.2-167-107.1000112.5M340 R343 L344 E347 M368 D372 M373 V374 P439M340-F370 HydrophobicContact CG-CE1 4.06Å; M340-F370 HydrophobicContact CG-CZ 3.72Å; R343-F370 HydrophobicContact CB-CD1 4.42Å; R343-F370 HydrophobicContact CB-CE1 4.07Å; R343-F370 HydrophobicContact CG-CD1 3.88Å; R343-F370 HydrophobicContact CG-CE1 3.89Å; R343-F370 HydrophobicContact CG-CG 4.2Å; R343-F370 HydrophobicContact CG-CZ 4.26Å; R343-F370 VanDerWaalsContact NE-CD2 3.3Å; R343-F370 VanDerWaalsContact NH1-CE2 3.25Å; L344-F370 HydrophobicContact CB-CD1 3.84Å; L344-F370 HydrophobicContact CB-CE1 3.97Å; L344-F370 HydrophobicContact CD1-CD1 4.18Å; E347-F370 WeakPolarHBondContact OE1-CB 3.46Å; E347-F370 PolarHBondContact OE1-N 2.95Å; E347-F370 WeakPolarHBondContact OE2-CB 3.37Å; E347-F370 PolarHBondContact OE2-N 3.36Å; M368-F370 VanDerWaalsContact C-N 3.31Å; M368-F370 PolarHBondContact O-N 3.18Å; F370-D372 VanDerWaalsContact C-N 3.28Å; F370-D372 PolarHBondContact O-N 2.7Å; F370-M373 HydrophobicContact CB-CE 4.28Å; F370-M373 HydrophobicContact CD2-CE 3.7Å; F370-M373 HydrophobicContact CG-CE 4.47Å; F370-M373 PolarHBondContact O-N 2.66Å; F370-V374 HydrophobicContact CD1-CG2 4.17Å; F370-V374 HydrophobicContact CE1-CG2 3.84Å; F370-V374 HydrophobicContact CZ-CG2 4.12Å; F370-V374 WeakPolarHBondContact O-CG2 3.34Å; F370-V374 PolarHBondContact O-N 3.08Å; F370-P439 HydrophobicContact CE2-CB 4.07Å; F370-P439 HydrophobicContact CZ-CB 4.41Å; F370-P439 HydrophobicContact CZ-CG 4.37Å
371L98.7Very high96.8Very high0 Ų033.1 Ų33.10%016%0.16CC..Hα-helixtrans-56.3-44.2168.2179.361.5000111.6L344 E347 M368 V374 V375 K476 L479 V480L344-L371 HydrophobicContact CD1-CB 3.71Å; L344-L371 HydrophobicContact CD1-CD1 3.99Å; L344-L371 HydrophobicContact CD1-CG 4.43Å; L344-L371 HydrophobicContact CD2-CD1 4.36Å; E347-L371 PolarHBondContact OE2-N 3.47Å; M368-L371 HydrophobicContact CB-CB 3.65Å; M368-L371 HydrophobicContact CB-CD2 4.13Å; M368-L371 PolarHBondContact O-N 3.45Å; M368-L371 HydrophobicContact SD-CB 4.4Å; M368-L371 HydrophobicContact SD-CD2 3.52Å; M368-L371 VanDerWaalsContact SD-CD2 3.52Å; L371-V374 PolarHBondContact O-N 2.89Å; L371-V375 HydrophobicContact CD1-CG2 4.2Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 3.08Å; L371-K476 HydrophobicContact CD2-CB 3.76Å; L371-K476 HydrophobicContact CD2-CD 4.33Å; L371-K476 HydrophobicContact CD2-CG 3.85Å; L371-K476 HydrophobicContact CG-CB 4.39Å; L371-K476 HydrophobicContact CG-CG 4.01Å; L371-L479 HydrophobicContact CD1-CB 4.09Å; L371-L479 HydrophobicContact CD1-CD1 4.06Å; L371-V480 HydrophobicContact CD2-CG2 3.55Å
372D98.4Very high97.1Very high45 Ų4531.5 Ų31.524%0.24115%0.15CC..Hα-helixtrans-59.8-48.3178.1-78.425.1000111.1M368 E369 F370 V374 V375 E376 K476M368-D372 PolarHBondContact O-N 3.33Å; E369-D372 WeakPolarHBondContact O-CB 3.47Å; E369-D372 PolarHBondContact O-N 3.03Å; F370-D372 VanDerWaalsContact C-N 3.28Å; F370-D372 PolarHBondContact O-N 2.7Å; D372-V374 VanDerWaalsContact C-N 3.35Å; D372-V374 PolarHBondContact O-N 3.44Å; D372-V375 PolarHBondContact O-N 3.21Å; D372-E376 WeakPolarHBondContact O-CB 3.26Å; D372-E376 WeakPolarHBondContact O-CG 3.35Å; D372-E376 PolarHBondContact O-N 3.5Å; D372-K476 WeakPolarHBondContact OD1-CE 3.32Å; D372-K476 IonicContact OD1-NZ 2.68Å; D372-K476 PolarHBondContact OD1-NZ 2.76Å; D372-K476 IonicContact OD2-NZ 3.82Å; D372-K476 PolarHBondContact OD2-NZ 2.95Å
373M98.7Very high97.3Very high17 Ų1728.7 Ų28.78%0.08414%0.139CC..Hα-helixtrans-60.1-41.4176.5-73.6-172-76.600112.8E369 F370 E376 E377 P439 F442 S443E369-M373 WeakPolarHBondContact O-CG 3.44Å; E369-M373 PolarHBondContact O-N 2.94Å; F370-M373 HydrophobicContact CB-CE 4.28Å; F370-M373 HydrophobicContact CD2-CE 3.7Å; F370-M373 HydrophobicContact CG-CE 4.47Å; F370-M373 PolarHBondContact O-N 2.66Å; M373-E376 PolarHBondContact O-N 3.49Å; M373-E377 VanDerWaalsContact O-CB 3.31Å; M373-E377 WeakPolarHBondContact O-CB 3.28Å; M373-E377 PolarHBondContact O-N 3.27Å; M373-P439 HydrophobicContact CB-CB 3.81Å; M373-P439 WeakPolarHBondContact CB-O 3.4Å; M373-F442 HydrophobicContact CB-CB 4.28Å; M373-F442 HydrophobicContact CG-CB 3.97Å; M373-S443 VanDerWaalsContact SD-CA 3.5Å; M373-S443 PolarHBondContact SD-N 3.43Å; M373-S443 VanDerWaalsContact SD-N 3.4Å
374V98.8Very high97.5Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-64.2-441771680000111.3L334 L344 F370 L371 D372 T378 F437 P439L334-V374 HydrophobicContact CD1-CG1 4.18Å; L334-V374 HydrophobicContact CD2-CG1 4.2Å; L334-V374 HydrophobicContact CD2-CG2 4.45Å; L334-V374 HydrophobicContact CG-CG1 4.34Å; L344-V374 HydrophobicContact CD2-CG1 4.35Å; L344-V374 HydrophobicContact CD2-CG2 4.43Å; F370-V374 HydrophobicContact CD1-CG2 4.17Å; F370-V374 HydrophobicContact CE1-CG2 3.84Å; F370-V374 HydrophobicContact CZ-CG2 4.12Å; F370-V374 WeakPolarHBondContact O-CG2 3.34Å; F370-V374 PolarHBondContact O-N 3.08Å; L371-V374 PolarHBondContact O-N 2.89Å; D372-V374 VanDerWaalsContact C-N 3.35Å; D372-V374 PolarHBondContact O-N 3.44Å; V374-T378 WeakPolarHBondContact O-CB 3.16Å; V374-T378 PolarHBondContact O-N 3.28Å; V374-T378 PolarHBondContact O-OG1 2.83Å; V374-F437 HydrophobicContact CG1-CZ 4.27Å; V374-P439 HydrophobicContact CG2-CB 4.22Å; V374-P439 HydrophobicContact CG2-CG 3.87Å
375V98.7Very high97.5Very high2 Ų228.2 Ų28.21%0.01214%0.14CC..Hα-helixtrans-66.7-43.9178172.10000110.7L371 D372 T378 L379 L472 I475 K476 L479L371-V375 HydrophobicContact CD1-CG2 4.2Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 3.08Å; D372-V375 PolarHBondContact O-N 3.21Å; V375-T378 WeakPolarHBondContact O-CB 3.1Å; V375-T378 PolarHBondContact O-N 3.46Å; V375-L379 HydrophobicContact CG1-CD1 4.09Å; V375-L379 WeakPolarHBondContact O-CG 3.39Å; V375-L379 PolarHBondContact O-N 2.77Å; V375-L472 HydrophobicContact CG1-CD2 3.75Å; V375-I475 HydrophobicContact CG1-CG2 4.15Å; V375-I475 HydrophobicContact CG2-CG2 4Å; V375-K476 HydrophobicContact CG2-CG 4.1Å; V375-L479 HydrophobicContact CG2-CD1 3.77Å
376E98.7Very high97.6Very high34 Ų3428.3 Ų28.316%0.15914%0.14CC..Hα-helixtrans-64.8-42.1-179.8-72.3-168.1143.200112.1D372 M373 L379 R380 F442 K447 Y455D372-E376 WeakPolarHBondContact O-CB 3.26Å; D372-E376 WeakPolarHBondContact O-CG 3.35Å; D372-E376 PolarHBondContact O-N 3.5Å; M373-E376 PolarHBondContact O-N 3.49Å; E376-L379 PolarHBondContact O-N 2.96Å; E376-R380 PolarHBondContact O-N 2.84Å; E376-F442 HydrophobicContact CB-CB 4.06Å; E376-F442 HydrophobicContact CB-CD1 3.53Å; E376-F442 HydrophobicContact CB-CD2 3.86Å; E376-F442 HydrophobicContact CB-CE1 3.89Å; E376-F442 HydrophobicContact CB-CE2 4.2Å; E376-F442 HydrophobicContact CB-CG 3.51Å; E376-F442 HydrophobicContact CB-CZ 4.22Å; E376-F442 HydrophobicContact CG-CD1 4.25Å; E376-F442 WeakPolarHBondContact OE2-CB 3.45Å; E376-F442 WeakPolarHBondContact OE2-CD1 3.11Å; E376-K447 IonicContact OE1-NZ 3.42Å; E376-K447 PolarHBondContact OE1-NZ 3.18Å; E376-K447 IonicContact OE2-NZ 2.66Å; E376-K447 PolarHBondContact OE2-NZ 3.42Å; E376-Y455 WeakPolarHBondContact CA-OH 3.47Å; E376-Y455 WeakPolarHBondContact CB-OH 3.48Å; E376-Y455 PolarHBondContact O-OH 3.07Å
377E98.8Very high97.8Very high0 Ų027.1 Ų27.10%013%0.126CC..Hα-helixtrans-67.2-36175.217963.5178.900112.3M373 L379 R380 K381 F437 D438 R441 F442M373-E377 VanDerWaalsContact O-CB 3.31Å; M373-E377 WeakPolarHBondContact O-CB 3.28Å; M373-E377 PolarHBondContact O-N 3.27Å; E377-L379 VanDerWaalsContact C-N 3.35Å; E377-R380 VanDerWaalsContact CD-NE 3.35Å; E377-R380 PolarHBondContact O-N 3.21Å; E377-R380 IonicContact OE1-CZ 2.81Å; E377-R380 IonicContact OE1-NE 2.8Å; E377-R380 PolarHBondContact OE1-NE 3.31Å; E377-R380 IonicContact OE1-NH2 2.57Å; E377-R380 PolarHBondContact OE1-NH2 2.76Å; E377-R380 WeakPolarHBondContact OE2-CD 3.35Å; E377-R380 IonicContact OE2-CZ 3.05Å; E377-R380 IonicContact OE2-NE 2.63Å; E377-R380 PolarHBondContact OE2-NE 3.2Å; E377-R380 IonicContact OE2-NH2 3.92Å; E377-K381 WeakPolarHBondContact O-CB 3.35Å; E377-K381 PolarHBondContact O-N 2.85Å; E377-F437 HydrophobicContact CB-CE2 4.11Å; E377-F437 HydrophobicContact CB-CZ 4.17Å; E377-F437 HydrophobicContact CG-CD1 4.24Å; E377-F437 HydrophobicContact CG-CD2 3.62Å; E377-F437 HydrophobicContact CG-CE1 4.26Å; E377-F437 HydrophobicContact CG-CE2 3.65Å; E377-F437 HydrophobicContact CG-CG 3.94Å; E377-F437 HydrophobicContact CG-CZ 3.97Å; E377-F437 WeakPolarHBondContact OE1-CA 3.47Å; E377-D438 PolarHBondContact OE1-N 3.37Å; E377-R441 IonicContact OE1-NE 3.67Å; E377-R441 WeakPolarHBondContact OE2-CD 3.47Å; E377-F442 HydrophobicContact CB-CD2 3.98Å; E377-F442 HydrophobicContact CB-CE2 4.14Å; E377-F442 WeakPolarHBondContact OE2-CE2 3.36Å
378T98.8Very high97.9Very high3 Ų319.8 Ų19.82%0.01810%0.1CC..Hα-helixtrans-60.1-46.8171.3-57.60000110.8S326 F329 A330 V374 V375 R380 K381 Y382 F437S326-T378 WeakPolarHBondContact O-CG2 3.19Å; F329-T378 HydrophobicContact CB-CG2 3.94Å; A330-T378 HydrophobicContact CB-CG2 3.94Å; A330-T378 WeakPolarHBondContact CB-OG1 3.46Å; V374-T378 WeakPolarHBondContact O-CB 3.16Å; V374-T378 PolarHBondContact O-N 3.28Å; V374-T378 PolarHBondContact O-OG1 2.83Å; V375-T378 WeakPolarHBondContact O-CB 3.1Å; V375-T378 PolarHBondContact O-N 3.46Å; T378-R380 VanDerWaalsContact C-N 3.3Å; T378-R380 PolarHBondContact O-N 3.13Å; T378-K381 PolarHBondContact O-N 3.33Å; T378-Y382 HydrophobicContact CG2-CD2 4.21Å; T378-Y382 WeakPolarHBondContact O-CA 3.48Å; T378-Y382 WeakPolarHBondContact O-CB 3.18Å; T378-Y382 PolarHBondContact O-N 3.12Å; T378-F437 WeakPolarHBondContact OG1-CE2 3.3Å
379L98.6Very high97.9Very high7 Ų720.5 Ų20.54%0.03710%0.103CC..Hα-helixtrans-71.1-24.2179.8-68175.1000113.3V375 E376 E377 P383 P457 F458 L472V375-L379 HydrophobicContact CG1-CD1 4.09Å; V375-L379 WeakPolarHBondContact O-CG 3.39Å; V375-L379 PolarHBondContact O-N 2.77Å; E376-L379 PolarHBondContact O-N 2.96Å; E377-L379 VanDerWaalsContact C-N 3.35Å; L379-P383 WeakPolarHBondContact O-CA 3.31Å; L379-P457 HydrophobicContact CB-CB 3.79Å; L379-P457 HydrophobicContact CB-CG 4.13Å; L379-P457 HydrophobicContact CD1-CB 4.49Å; L379-P457 HydrophobicContact CD1-CG 4.48Å; L379-F458 HydrophobicContact CD1-CE2 3.58Å; L379-F458 HydrophobicContact CD1-CZ 3.77Å; L379-L472 HydrophobicContact CD1-CD2 3.94Å
380R98.5Very high97.9Very high0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-69.9-54.7169.4-172.1-157.561.481.3-4.7110.5E376 E377 T378 Y382 P383 H425 W431 P434 R436 F442 Y455E376-R380 PolarHBondContact O-N 2.84Å; E377-R380 VanDerWaalsContact CD-NE 3.35Å; E377-R380 PolarHBondContact O-N 3.21Å; E377-R380 IonicContact OE1-CZ 2.81Å; E377-R380 IonicContact OE1-NE 2.8Å; E377-R380 PolarHBondContact OE1-NE 3.31Å; E377-R380 IonicContact OE1-NH2 2.57Å; E377-R380 PolarHBondContact OE1-NH2 2.76Å; E377-R380 WeakPolarHBondContact OE2-CD 3.35Å; E377-R380 IonicContact OE2-CZ 3.05Å; E377-R380 IonicContact OE2-NE 2.63Å; E377-R380 PolarHBondContact OE2-NE 3.2Å; E377-R380 IonicContact OE2-NH2 3.92Å; T378-R380 VanDerWaalsContact C-N 3.3Å; T378-R380 PolarHBondContact O-N 3.13Å; R380-Y382 VanDerWaalsContact C-N 3.28Å; R380-Y382 PolarHBondContact O-N 3.24Å; R380-P383 WeakPolarHBondContact O-CD 3.43Å; R380-H425 HydrophobicContact CG-CB 4.14Å; R380-H425 PolarHBondContact NH1-O 3.11Å; R380-H425 WeakPolarHBondContact O-CB 3.26Å; R380-H425 PolarHBondContact O-ND1 3.28Å; R380-W431 VanDerWaalsContact CD-CD2 3.46Å; R380-W431 VanDerWaalsContact CD-CZ3 3.46Å; R380-W431 HydrophobicContact CG-CD2 4.15Å; R380-W431 HydrophobicContact CG-CE3 4.23Å; R380-W431 HydrophobicContact CG-CH2 4.13Å; R380-W431 HydrophobicContact CG-CZ2 4.07Å; R380-W431 HydrophobicContact CG-CZ3 4.21Å; R380-P434 PolarHBondContact NH1-O 3.41Å; R380-P434 PolarHBondContact NH2-O 3.32Å; R380-R436 PolarHBondContact NH2-O 3.3Å; R380-F442 HydrophobicContact CB-CE2 3.98Å; R380-F442 HydrophobicContact CB-CZ 3.96Å; R380-F442 HydrophobicContact CG-CZ 4.39Å; R380-Y455 HydrophobicContact CB-CD2 4.2Å; R380-Y455 HydrophobicContact CB-CE2 3.75Å; R380-Y455 HydrophobicContact CG-CD2 4.35Å; R380-Y455 HydrophobicContact CG-CE2 4.4Å
381K98.2Very high97.8Very high20 Ų2015.1 Ų15.19%0.0878%0.078CC..Hα-helixtrans-70.3-28.8-176.2-167.1175.9-177.8-177.70112E333 E377 T378 H426 D435 F437E333-K381 VanDerWaalsContact CD-NZ 3.3Å; E333-K381 IonicContact OE1-NZ 2.73Å; E333-K381 PolarHBondContact OE1-NZ 2.82Å; E333-K381 IonicContact OE2-NZ 3.29Å; E333-K381 PolarHBondContact OE2-NZ 3.21Å; E377-K381 WeakPolarHBondContact O-CB 3.35Å; E377-K381 PolarHBondContact O-N 2.85Å; T378-K381 PolarHBondContact O-N 3.33Å; K381-H426 PolarHBondContact O-CE1 3Å; K381-H426 PolarHBondContact O-NE2 3.39Å; K381-D435 WeakPolarHBondContact CE-O 3.32Å; K381-D435 PolarHBondContact NZ-O 2.85Å; K381-F437 HydrophobicContact CD-CB 4.11Å; K381-F437 HydrophobicContact CD-CD2 3.95Å
382Y98Very high97.7Very high9 Ų915.1 Ų15.14%0.0358%0.078CC..  trans-131.671.4-177.6-53.8-74.5000111.5F329 E333 T378 R380 I384 I498 F500F329-Y382 HydrophobicContact CB-CD1 4.44Å; F329-Y382 HydrophobicContact CB-CD2 3.52Å; F329-Y382 HydrophobicContact CB-CE2 3.91Å; F329-Y382 HydrophobicContact CB-CG 3.8Å; F329-Y382 AromaticContact CD1-CD1 3.91Å; F329-Y382 HydrophobicContact CD1-CD1 3.91Å; F329-Y382 HydrophobicContact CD1-CD2 4.4Å; F329-Y382 AromaticContact CD1-CE1 3.98Å; F329-Y382 HydrophobicContact CD1-CE1 3.98Å; F329-Y382 HydrophobicContact CD1-CE2 4.45Å; F329-Y382 HydrophobicContact CD1-CG 4.12Å; F329-Y382 HydrophobicContact CD2-CD1 4.01Å; F329-Y382 HydrophobicContact CD2-CD2 4.32Å; F329-Y382 AromaticContact CD2-CG 3.7Å; F329-Y382 HydrophobicContact CD2-CG 3.7Å; F329-Y382 HydrophobicContact CE1-CD1 4.13Å; F329-Y382 HydrophobicContact CE1-CE1 4.26Å; F329-Y382 HydrophobicContact CE2-CD1 4.19Å; F329-Y382 HydrophobicContact CE2-CG 4.28Å; F329-Y382 AromaticContact CG-CD1 3.87Å; F329-Y382 HydrophobicContact CG-CD1 3.87Å; F329-Y382 AromaticContact CG-CD2 3.86Å; F329-Y382 HydrophobicContact CG-CD2 3.86Å; F329-Y382 HydrophobicContact CG-CE1 4.31Å; F329-Y382 HydrophobicContact CG-CE2 4.29Å; F329-Y382 AromaticContact CG-CG 3.61Å; F329-Y382 HydrophobicContact CG-CG 3.61Å; F329-Y382 HydrophobicContact CZ-CD1 4.25Å; E333-Y382 HydrophobicContact CG-CE2 3.87Å; E333-Y382 PolarHBondContact OE1-OH 2.83Å; T378-Y382 HydrophobicContact CG2-CD2 4.21Å; T378-Y382 WeakPolarHBondContact O-CA 3.48Å; T378-Y382 WeakPolarHBondContact O-CB 3.18Å; T378-Y382 PolarHBondContact O-N 3.12Å; R380-Y382 VanDerWaalsContact C-N 3.28Å; R380-Y382 PolarHBondContact O-N 3.24Å; Y382-I384 WeakPolarHBondContact O-CD1 3.27Å; Y382-I384 PolarHBondContact O-N 3.47Å; Y382-I498 HydrophobicContact CE1-CB 4.42Å; Y382-I498 HydrophobicContact CE1-CG1 4.43Å; Y382-F500 AromaticContact CD1-CE1 3.72Å; Y382-F500 HydrophobicContact CD1-CE1 3.72Å; Y382-F500 AromaticContact CD1-CZ 3.75Å; Y382-F500 HydrophobicContact CD1-CZ 3.75Å; Y382-F500 AromaticContact CE1-CE1 3.98Å; Y382-F500 HydrophobicContact CE1-CE1 3.98Å; Y382-F500 AromaticContact CE1-CZ 3.89Å; Y382-F500 HydrophobicContact CE1-CZ 3.89Å
383P97.5Very high97.6Very high1 Ų114.4 Ų14.41%0.0068%0.075CC..  trans-71.498.4176.527.9-31000109.4L379 R380 V385 P386 N421 L422L379-P383 WeakPolarHBondContact O-CA 3.31Å; R380-P383 WeakPolarHBondContact O-CD 3.43Å; P383-V385 CarbonylContact O-C 3.57Å; P383-V385 VanDerWaalsContact O-C 3.28Å; P383-V385 PolarHBondContact O-N 2.73Å; P383-V385 VanDerWaalsContact O-N 3.07Å; P383-P386 WeakPolarHBondContact O-CA 3.38Å; P383-N421 HydrophobicContact CB-CB 4.33Å; P383-L422 HydrophobicContact CG-CB 4.21Å; P383-L422 HydrophobicContact CG-CD1 3.94Å
384I96.8Very high97.3Very high8 Ų814 Ų144%0.0417%0.073CC..SBendtrans-56.7-30.6-172.9-50.7-54.9000112.9T322 A325 S326 F329 Y382 P386 L506 L507T322-I384 HydrophobicContact CG2-CG2 4.17Å; A325-I384 HydrophobicContact CB-CD1 3.64Å; A325-I384 HydrophobicContact CB-CG1 4.28Å; A325-I384 HydrophobicContact CB-CG2 4.25Å; S326-I384 WeakPolarHBondContact OG-CG1 3.46Å; F329-I384 HydrophobicContact CD2-CD1 3.79Å; F329-I384 HydrophobicContact CE2-CD1 3.74Å; Y382-I384 WeakPolarHBondContact O-CD1 3.27Å; Y382-I384 PolarHBondContact O-N 3.47Å; I384-P386 WeakPolarHBondContact O-CD 3.41Å; I384-L506 HydrophobicContact CG2-CB 4.15Å; I384-L506 WeakPolarHBondContact O-CA 3.43Å; I384-L506 WeakPolarHBondContact O-CB 3.39Å; I384-L507 PolarHBondContact O-N 3.22Å
385V95.6Very high96.9Very high60 Ų6017.8 Ų17.836%0.3649%0.093SC..SBendtrans-96.492.9163.4-1790000107.9P383 L387 L388 N421 L506P383-V385 CarbonylContact O-C 3.57Å; P383-V385 VanDerWaalsContact O-C 3.28Å; P383-V385 PolarHBondContact O-N 2.73Å; P383-V385 VanDerWaalsContact O-N 3.07Å; V385-L387 VanDerWaalsContact C-N 3.28Å; V385-L387 WeakPolarHBondContact CG1-O 3.32Å; V385-L387 PolarHBondContact O-N 3.02Å; V385-L388 HydrophobicContact CG1-CD2 4.37Å; V385-N421 PolarHBondContact O-ND2 3.42Å; V385-L506 HydrophobicContact CG2-CD2 4.1Å
386P96.4Very high96.4Very high3 Ų324.5 Ų24.52%0.01913%0.129CC..  trans-79.5-9.4-167.433.5-41000113.8A57 P383 I384 N421 L422 L507A57-P386 HydrophobicContact CB-CB 3.72Å; A57-P386 HydrophobicContact CB-CG 3.27Å; P383-P386 WeakPolarHBondContact O-CA 3.38Å; I384-P386 WeakPolarHBondContact O-CD 3.41Å; P386-N421 PolarHBondContact O-N 2.97Å; P386-L422 HydrophobicContact CB-CB 3.86Å; P386-L422 HydrophobicContact CB-CD2 4.38Å; P386-L422 PolarHBondContact O-N 3.2Å; P386-L507 HydrophobicContact CB-CD1 4.41Å
387L96.2Very high95.7Very high30 Ų3031.2 Ų31.216%0.15716%0.157CC..  trans-142148.4174.970.291.5000111.2F56 A57 L60 V385 E389 F418 I419F56-L387 HydrophobicContact CD1-CD2 3.78Å; F56-L387 HydrophobicContact CE1-CD2 4.36Å; A57-L387 HydrophobicContact CB-CD2 4.09Å; L60-L387 HydrophobicContact CD1-CB 4.23Å; L60-L387 HydrophobicContact CD1-CD2 4.05Å; V385-L387 VanDerWaalsContact C-N 3.28Å; V385-L387 WeakPolarHBondContact CG1-O 3.32Å; V385-L387 PolarHBondContact O-N 3.02Å; L387-E389 HydrophobicContact CD1-CB 4.35Å; L387-F418 HydrophobicContact CD1-CD1 4.03Å; L387-F418 HydrophobicContact CD1-CE1 4.41Å; L387-I419 CarbonylContact C-O 3.34Å; L387-I419 VanDerWaalsContact CA-O 3.26Å; L387-I419 WeakPolarHBondContact CA-O 3.47Å
388L97.3Very high95.3Very high17 Ų1737.7 Ų37.79%0.08919%0.186CC..EExtended strand (participates in β ladder)trans-109.1137.4168.6-51.7173.1000108.6L97 V385 F418 I419 N421L97-L388 HydrophobicContact CD1-CD1 3.76Å; V385-L388 HydrophobicContact CG1-CD2 4.37Å; L388-F418 CarbonylContact O-C 3.56Å; L388-F418 WeakPolarHBondContact O-CA 3.23Å; L388-I419 HydrophobicContact CB-CB 4.25Å; L388-I419 PolarHBondContact N-O 3.16Å; L388-I419 PolarHBondContact O-N 3.28Å; L388-N421 WeakPolarHBondContact CD1-OD1 3.3Å
389E96.6Very high95.1Very high18 Ų1845.8 Ų45.88%0.08422%0.216CC..EExtended strand (participates in β ladder)trans-121146.6176.562.7162.3-142.600112.4R107 F108 A109 L387 V417 F418R107-E389 HydrophobicContact CB-CG 4.27Å; R107-E389 WeakPolarHBondContact CB-OE1 3.36Å; R107-E389 HydrophobicContact CG-CG 4.38Å; F108-E389 PolarHBondContact N-OE1 3.43Å; F108-E389 VanDerWaalsContact N-OE1 3.1Å; A109-E389 VanDerWaalsContact CB-OE1 3.28Å; A109-E389 WeakPolarHBondContact CB-OE1 3.34Å; A109-E389 PolarHBondContact N-OE1 2.87Å; L387-E389 HydrophobicContact CD1-CB 4.35Å; E389-V417 CarbonylContact C-O 3.6Å; E389-V417 WeakPolarHBondContact CA-O 3.36Å; E389-F418 HydrophobicContact CB-CD1 3.69Å; E389-F418 HydrophobicContact CB-CE1 3.61Å
390R97.5Very high94.8Very high4 Ų448.6 Ų48.62%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-137.1156.2170.4-63.6-58.3-174.9-99.7-0110.7V96 L97 F104 N106 P416 V417V96-R390 HydrophobicContact CG1-CB 4.27Å; V96-R390 HydrophobicContact CG1-CG 4.02Å; L97-R390 HydrophobicContact CD2-CG 4.16Å; F104-R390 HydrophobicContact CB-CB 4.1Å; F104-R390 HydrophobicContact CB-CG 4.27Å; F104-R390 HydrophobicContact CD1-CB 4.33Å; F104-R390 WeakPolarHBondContact O-CD 3.46Å; N106-R390 CarbonylContact O-C 3.52Å; N106-R390 WeakPolarHBondContact O-CA 3.31Å; R390-P416 CarbonylContact O-C 3.4Å; R390-P416 WeakPolarHBondContact O-CA 3.49Å; R390-V417 PolarHBondContact N-O 3.39Å; R390-V417 PolarHBondContact O-N 3.44Å
391E97.2Very high94.7Very high40 Ų4050 Ų5019%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-108.9125.6170-172.4-177.4169.800108.5N106 F108 K127 T393 G414N106-E391 HydrophobicContact CB-CB 4.33Å; N106-E391 PolarHBondContact O-N 3.29Å; F108-E391 HydrophobicContact CD2-CG 4.45Å; K127-E391 IonicContact NZ-OE2 3.09Å; K127-E391 PolarHBondContact NZ-OE2 2.85Å; K127-E391 VanDerWaalsContact NZ-OE2 3.15Å; E391-T393 HydrophobicContact CG-CG2 4.22Å; E391-T393 PolarHBondContact O-N 2.94Å; E391-G414 WeakPolarHBondContact OE1-CA 3.33Å
392C97.5Very high94.5Very high0 Ų051.2 Ų51.20%025%0.245CC..  trans-71.8113.2175.4-175.30000110.5S103 F104 Y401 T411 R413 G414 M415S103-C392 CarbonylContact O-C 3.52Å; S103-C392 WeakPolarHBondContact O-CA 3.35Å; F104-C392 HydrophobicContact CD1-CB 4.11Å; F104-C392 HydrophobicContact CE1-CB 3.65Å; C392-Y401 VanDerWaalsContact SG-CB 3.56Å; C392-T411 HydrophobicContact CB-CG2 3.29Å; C392-T411 VanDerWaalsContact SG-CG2 3.59Å; C392-R413 CarbonylContact O-C 3.26Å; C392-R413 WeakPolarHBondContact O-CA 3.25Å; C392-G414 PolarHBondContact O-N 3.34Å; C392-M415 PolarHBondContact N-O 2.73Å
393T95.6Very high94.4Very high29 Ų2950.9 Ų50.918%0.17824%0.244CC..  trans-126.878.8175.753.10000109.5S103 E391S103-T393 WeakPolarHBondContact CA-O 3.17Å; S103-T393 CarbonylContact O-C 3.55Å; S103-T393 PolarHBondContact O-N 2.98Å; E391-T393 HydrophobicContact CG-CG2 4.22Å; E391-T393 PolarHBondContact O-N 2.94Å
394P92.4Very high94.1Very high8 Ų857.3 Ų57.35%0.05227%0.268CS..  trans-57.2144.5-174.9-23.133.7000112.6K397 K398 R413P394-K397 PolarHBondContact O-N 2.74Å; P394-K398 HydrophobicContact CB-CB 3.86Å; P394-R413 HydrophobicContact CG-CB 4.46Å
395I89.5Confident94Very high81 Ų8162.3 Ų62.342%0.41530%0.301SS..G310 helixtrans-54.8150.5174.5-59.1170.9000110.4V102 K397 K398V102-I395 HydrophobicContact CB-CD1 4.05Å; V102-I395 HydrophobicContact CB-CG1 4.3Å; V102-I395 HydrophobicContact CG1-CD1 3.73Å; V102-I395 HydrophobicContact CG1-CG1 3.64Å; I395-K397 PolarHBondContact O-N 3.15Å; I395-K398 WeakPolarHBondContact O-CG 3.4Å; I395-K398 PolarHBondContact O-N 2.91Å
396N88.2Confident93.7Very high142 Ų14262.2 Ų62.276%0.75930%0.296SS*.G310 helixtrans57.928.6179.7-58.9-21.9000113.9K398N396-K398 PolarHBondContact O-N 2.62Å
397K84.2Confident93.5Very high175 Ų17562.3 Ų62.376%0.76130%0.297SS*.G310 helixtrans55.625.3179.4-56.4176.9-177.4173.50113P394 I395P394-K397 PolarHBondContact O-N 2.74Å; I395-K397 PolarHBondContact O-N 3.15Å
398K91.7Very high93.2Very high136 Ų13666.9 Ų66.959%0.59132%0.318SS*.  trans-54.8143.8175.7-72.8179.2-179.6179.40109.8P394 I395 N396 F400P394-K398 HydrophobicContact CB-CB 3.86Å; I395-K398 WeakPolarHBondContact O-CG 3.4Å; I395-K398 PolarHBondContact O-N 2.91Å; N396-K398 PolarHBondContact O-N 2.62Å; K398-F400 VanDerWaalsContact C-N 3.27Å; K398-F400 PolarHBondContact O-N 3.38Å
399R92.8Very high92.9Very high173 Ų17366.3 Ų66.365%0.65332%0.315SS*.SBendtrans-70.4-26.8-179.2-171.9175.2177.3-170.85.4112.5R412 R413R399-R412 WeakPolarHBondContact O-CA 3.05Å; R399-R413 PolarHBondContact O-N 3.05Å
400F93.8Very high92.7Very high66 Ų6670.3 Ų70.329%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-138.4153.6-174.3-59.3-86.4000111.9K398 Y410 T411 R412K398-F400 VanDerWaalsContact C-N 3.27Å; K398-F400 PolarHBondContact O-N 3.38Å; F400-Y410 HydrophobicContact CB-CD1 4.39Å; F400-T411 CarbonylContact C-O 3.49Å; F400-T411 VanDerWaalsContact CA-O 3.25Å; F400-T411 WeakPolarHBondContact CA-O 3.49Å; F400-R412 HydrophobicContact CD1-CB 4.43Å; F400-R412 HydrophobicContact CD1-CG 3.51Å; F400-R412 HydrophobicContact CE1-CB 4.5Å; F400-R412 HydrophobicContact CE1-CG 3.23Å; F400-R412 HydrophobicContact CZ-CG 4.18Å
401Y95.3Very high92.6Very high29 Ų2970.1 Ų70.111%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-117.7136.2167.7-178.4-85.7000108.5D100 F104 C392 L403 Y410 T411D100-Y401 HydrophobicContact CB-CE2 4.12Å; D100-Y401 WeakPolarHBondContact CB-OH 3.45Å; D100-Y401 PolarHBondContact OD2-OH 2.97Å; F104-Y401 HydrophobicContact CE2-CD1 4.01Å; F104-Y401 HydrophobicContact CE2-CD2 4.19Å; F104-Y401 AromaticContact CE2-CE1 3.69Å; F104-Y401 HydrophobicContact CE2-CE1 3.69Å; F104-Y401 AromaticContact CE2-CE2 3.86Å; F104-Y401 HydrophobicContact CE2-CE2 3.86Å; F104-Y401 HydrophobicContact CE2-CG 4.26Å; F104-Y401 AromaticContact CE2-CZ 3.6Å; F104-Y401 AromaticContact CZ-CD1 3.66Å; F104-Y401 HydrophobicContact CZ-CD1 3.66Å; F104-Y401 HydrophobicContact CZ-CD2 4.35Å; F104-Y401 AromaticContact CZ-CE1 3.75Å; F104-Y401 HydrophobicContact CZ-CE1 3.75Å; F104-Y401 HydrophobicContact CZ-CE2 4.41Å; F104-Y401 AromaticContact CZ-CG 3.98Å; F104-Y401 HydrophobicContact CZ-CG 3.98Å; C392-Y401 VanDerWaalsContact SG-CB 3.56Å; Y401-L403 HydrophobicContact CD1-CD2 3.72Å; Y401-L403 HydrophobicContact CE1-CD2 3.77Å; Y401-Y410 CarbonylContact O-C 3.48Å; Y401-Y410 WeakPolarHBondContact O-CA 3.22Å; Y401-T411 PolarHBondContact N-O 2.92Å; Y401-T411 PolarHBondContact O-N 3.32Å
402S95.2Very high92.4Very high47 Ų4772 Ų7233%0.32934%0.335SS..EExtended strand (participates in β ladder)trans-89.4132.5177.5-172.30000110.2R404S402-R404 VanDerWaalsContact C-N 3.3Å; S402-R404 PolarHBondContact OG-N 3.21Å
403L94.4Very high92.3Very high2 Ų279.1 Ų79.11%0.0136%0.362CS..  trans-91.39.2175-59.3178.7000112.9V74 L85 L92 Y401 H406 A407 C409 T411V74-L403 HydrophobicContact CG1-CD1 4.28Å; L85-L403 HydrophobicContact CD1-CD1 3.58Å; L92-L403 HydrophobicContact CD1-CB 4.27Å; L92-L403 HydrophobicContact CD1-CD2 3.96Å; L92-L403 HydrophobicContact CD2-CB 4.3Å; L92-L403 HydrophobicContact CD2-CD1 4.19Å; L92-L403 HydrophobicContact CD2-CD2 4.5Å; Y401-L403 HydrophobicContact CD1-CD2 3.72Å; Y401-L403 HydrophobicContact CE1-CD2 3.77Å; L403-H406 PolarHBondContact O-N 3.36Å; L403-H406 VanDerWaalsContact O-N 3.09Å; L403-A407 CarbonylContact C-O 3.58Å; L403-A407 VanDerWaalsContact C-O 3.26Å; L403-A407 HydrophobicContact CB-CB 3.99Å; L403-A407 PolarHBondContact O-N 2.86Å; L403-C409 WeakPolarHBondContact CD1-SG 3.4Å; L403-C409 PolarHBondContact N-O 3.02Å; L403-T411 WeakPolarHBondContact CD1-OG1 3.21Å
404R92.9Very high92.3Very high136 Ų13678.5 Ų78.551%0.51336%0.361SS..THydrogen-bonded Turntrans-67.9149.7174.1-73.9-175177.2159.50.7110.9S402 H406 A407 E408S402-R404 VanDerWaalsContact C-N 3.3Å; S402-R404 PolarHBondContact OG-N 3.21Å; R404-H406 VanDerWaalsContact C-N 3.35Å; R404-A407 PolarHBondContact N-O 2.93Å; R404-E408 IonicContact CZ-OE1 3.23Å; R404-E408 IonicContact CZ-OE2 2.77Å; R404-E408 VanDerWaalsContact NE-CD 3.29Å; R404-E408 IonicContact NE-OE1 3.53Å; R404-E408 PolarHBondContact NE-OE1 3.49Å; R404-E408 IonicContact NE-OE2 3.28Å; R404-E408 PolarHBondContact NE-OE2 3.01Å; R404-E408 IonicContact NH2-OE2 3.5Å; R404-E408 PolarHBondContact NH2-OE2 3.09Å
405P92.9Very high92.5Very high113 Ų11378.2 Ų78.273%0.73436%0.359SS*.THydrogen-bonded Turncis-82.1-3.61.133.9-35.7000114.2
406H91Very high92.9Very high58 Ų5874.3 Ų74.327%0.26934%0.339SS..THydrogen-bonded Turntrans-71.8-33.3-172.9-55.2-70.3000114.2P73 D89 Q91 L92 L403 R404P73-H406 VanDerWaalsContact CB-O 3.29Å; P73-H406 WeakPolarHBondContact CB-O 3.35Å; P73-H406 VanDerWaalsContact CG-O 3.24Å; P73-H406 WeakPolarHBondContact CG-O 3.39Å; D89-H406 IonicContact OD2-CG 3.61Å; D89-H406 IonicContact OD2-ND1 2.85Å; Q91-H406 WeakPolarHBondContact CB-CE1 3.12Å; Q91-H406 WeakPolarHBondContact CB-ND1 3.37Å; L92-H406 HydrophobicContact CB-CB 3.87Å; L92-H406 HydrophobicContact CD1-CB 4.1Å; L92-H406 HydrophobicContact CD2-CB 4.33Å; L92-H406 HydrophobicContact CG-CB 4.32Å; L403-H406 PolarHBondContact O-N 3.36Å; L403-H406 VanDerWaalsContact O-N 3.09Å; R404-H406 VanDerWaalsContact C-N 3.35Å
407A91.4Very high93.3Very high5 Ų567.7 Ų67.74%0.04130%0.304CS..  trans-144.4136.3176.400000111.4P73 V74 L92 L403 R404 C409P73-A407 HydrophobicContact CB-CB 4.3Å; P73-A407 HydrophobicContact CG-CB 3.71Å; V74-A407 HydrophobicContact CG1-CB 4.17Å; V74-A407 HydrophobicContact CG2-CB 4.05Å; L92-A407 HydrophobicContact CD2-CB 4.36Å; L403-A407 CarbonylContact C-O 3.58Å; L403-A407 VanDerWaalsContact C-O 3.26Å; L403-A407 HydrophobicContact CB-CB 3.99Å; L403-A407 PolarHBondContact O-N 2.86Å; R404-A407 PolarHBondContact N-O 2.93Å; A407-C409 PolarHBondContact O-N 3.38Å
408E90.3Very high94Very high126 Ų12659.4 Ų59.459%0.58927%0.268SS*.SBendtrans-74.453.7175.2-73.2-60.4129.900112.1R404R404-E408 IonicContact CZ-OE1 3.23Å; R404-E408 IonicContact CZ-OE2 2.77Å; R404-E408 VanDerWaalsContact NE-CD 3.29Å; R404-E408 IonicContact NE-OE1 3.53Å; R404-E408 PolarHBondContact NE-OE1 3.49Å; R404-E408 IonicContact NE-OE2 3.28Å; R404-E408 PolarHBondContact NE-OE2 3.01Å; R404-E408 IonicContact NH2-OE2 3.5Å; R404-E408 PolarHBondContact NH2-OE2 3.09Å
409C91.2Very high94.3Very high5 Ų553 Ų533%0.03424%0.24CC..  trans-149.8173.2-177.875.70000113.3V34 L403 A407V34-C409 HydrophobicContact CG2-CB 3.45Å; V34-C409 VanDerWaalsContact CG2-CB 3.45Å; L403-C409 WeakPolarHBondContact CD1-SG 3.4Å; L403-C409 PolarHBondContact N-O 3.02Å; A407-C409 PolarHBondContact O-N 3.38Å
410Y92.6Very high94.6Very high102 Ų10244.8 Ų44.840%0.421%0.209SC..EExtended strand (participates in β ladder)trans-129.6138.3-179.5-60.8-93.8000111F400 Y401F400-Y410 HydrophobicContact CB-CD1 4.39Å; Y401-Y410 CarbonylContact O-C 3.48Å; Y401-Y410 WeakPolarHBondContact O-CA 3.22Å
411T93.8Very high94.7Very high0 Ų041.6 Ų41.60%020%0.195CC..EExtended strand (participates in β ladder)trans-94.8130.9172.8-52.50000108.7L85 C392 F400 Y401 L403 M415 V417L85-T411 HydrophobicContact CD1-CG2 4.23Å; L85-T411 VanDerWaalsContact CD1-OG1 3.26Å; L85-T411 WeakPolarHBondContact CD1-OG1 3.19Å; C392-T411 HydrophobicContact CB-CG2 3.29Å; C392-T411 VanDerWaalsContact SG-CG2 3.59Å; F400-T411 CarbonylContact C-O 3.49Å; F400-T411 VanDerWaalsContact CA-O 3.25Å; F400-T411 WeakPolarHBondContact CA-O 3.49Å; Y401-T411 PolarHBondContact N-O 2.92Å; Y401-T411 PolarHBondContact O-N 3.32Å; L403-T411 WeakPolarHBondContact CD1-OG1 3.21Å; T411-M415 HydrophobicContact CG2-CB 3.75Å; T411-M415 HydrophobicContact CG2-CG 3.89Å; T411-M415 HydrophobicContact CG2-SD 3.69Å; T411-V417 HydrophobicContact CG2-CG2 3.91Å
412R94.2Very high94.8Very high80 Ų8040.2 Ų40.230%0.30219%0.19SC..EExtended strand (participates in β ladder)trans-80.2151.9176.5-77.2173.8168.1179.31.8110.5Y28 R399 F400 G414 M415Y28-R412 VanDerWaalsContact CE2-NH1 3.3Å; Y28-R412 WeakPolarHBondContact OH-CD 3.46Å; R399-R412 WeakPolarHBondContact O-CA 3.05Å; F400-R412 HydrophobicContact CD1-CB 4.43Å; F400-R412 HydrophobicContact CD1-CG 3.51Å; F400-R412 HydrophobicContact CE1-CB 4.5Å; F400-R412 HydrophobicContact CE1-CG 3.23Å; F400-R412 HydrophobicContact CZ-CG 4.18Å; R412-G414 PolarHBondContact O-N 3.18Å; R412-M415 HydrophobicContact CB-CB 4.38Å; R412-M415 HydrophobicContact CB-CE 4.05Å; R412-M415 HydrophobicContact CG-CE 4.36Å; R412-M415 WeakPolarHBondContact O-CB 3.48Å; R412-M415 PolarHBondContact O-N 3.13Å
413R95.6Very high95Very high148 Ų14838 Ų3856%0.55817%0.174SC*.THydrogen-bonded Turntrans-53.7131.6166.3-175.2174-179.3-119-3.5110.7C392 P394 R399 M415C392-R413 CarbonylContact O-C 3.26Å; C392-R413 WeakPolarHBondContact O-CA 3.25Å; P394-R413 HydrophobicContact CG-CB 4.46Å; R399-R413 PolarHBondContact O-N 3.05Å; R413-M415 VanDerWaalsContact C-N 3.3Å
414G94.9Very high95.2Very high17 Ų1737.9 Ų37.918%0.17517%0.174CC..THydrogen-bonded Turntrans794.6-175.900000114.9E391 C392 R412E391-G414 WeakPolarHBondContact OE1-CA 3.33Å; C392-G414 PolarHBondContact O-N 3.34Å; R412-G414 PolarHBondContact O-N 3.18Å
415M96.4Very high95.4Very high1 Ų131.4 Ų31.41%0.00515%0.149CC..  trans-77.7130.3177.5179.2173.4-69.300110.6Y28 W29 P83 L85 C392 T411 R412 R413Y28-M415 HydrophobicContact CE1-CE 3.74Å; Y28-M415 VanDerWaalsContact OH-CE 3.26Å; Y28-M415 WeakPolarHBondContact OH-CE 3.38Å; W29-M415 HydrophobicContact CH2-CE 3.86Å; W29-M415 HydrophobicContact CH2-SD 3.65Å; W29-M415 HydrophobicContact CZ2-CE 4.16Å; W29-M415 HydrophobicContact CZ2-SD 4.12Å; P83-M415 HydrophobicContact CB-CE 3.96Å; P83-M415 WeakPolarHBondContact O-CG 3.08Å; L85-M415 HydrophobicContact CD1-SD 4.11Å; L85-M415 HydrophobicContact CG-SD 4.1Å; C392-M415 PolarHBondContact N-O 2.73Å; T411-M415 HydrophobicContact CG2-CB 3.75Å; T411-M415 HydrophobicContact CG2-CG 3.89Å; T411-M415 HydrophobicContact CG2-SD 3.69Å; R412-M415 HydrophobicContact CB-CB 4.38Å; R412-M415 HydrophobicContact CB-CE 4.05Å; R412-M415 HydrophobicContact CG-CE 4.36Å; R412-M415 WeakPolarHBondContact O-CB 3.48Å; R412-M415 PolarHBondContact O-N 3.13Å; R413-M415 VanDerWaalsContact C-N 3.3Å
416P97.4Very high95.7Very high0 Ų026.6 Ų26.60%012%0.117CC..EExtended strand (participates in β ladder)trans-69.7142.9170.112.8-11.4000112.1L79 Q82 A84 L85 F108 R390 F418L79-P416 HydrophobicContact CD1-CG 4.08Å; Q82-P416 HydrophobicContact CG-CG 4.17Å; A84-P416 WeakPolarHBondContact CA-O 3.39Å; A84-P416 HydrophobicContact CB-CB 4.06Å; A84-P416 HydrophobicContact CB-CG 3.62Å; L85-P416 PolarHBondContact N-O 3.17Å; F108-P416 HydrophobicContact CB-CB 3.93Å; F108-P416 HydrophobicContact CD1-CB 3.95Å; F108-P416 HydrophobicContact CD1-CG 4.09Å; F108-P416 HydrophobicContact CD2-CB 3.7Å; F108-P416 HydrophobicContact CD2-CG 3.72Å; F108-P416 HydrophobicContact CE1-CB 4.38Å; F108-P416 HydrophobicContact CE1-CG 4Å; F108-P416 HydrophobicContact CE2-CB 4.16Å; F108-P416 HydrophobicContact CE2-CG 3.63Å; F108-P416 HydrophobicContact CG-CB 3.59Å; F108-P416 HydrophobicContact CG-CG 3.96Å; F108-P416 HydrophobicContact CZ-CB 4.47Å; F108-P416 HydrophobicContact CZ-CG 3.78Å; R390-P416 CarbonylContact O-C 3.4Å; R390-P416 WeakPolarHBondContact O-CA 3.49Å; P416-F418 HydrophobicContact CB-CE2 3.72Å; P416-F418 HydrophobicContact CB-CZ 3.86Å; P416-F418 HydrophobicContact CG-CE2 4.35Å
417V97.8Very high96Very high2 Ų224.6 Ų24.61%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-128127.4174.8178.30000107.9L85 I87 V96 F104 E389 R390 T411L85-V417 HydrophobicContact CB-CG2 4.48Å; L85-V417 CarbonylContact O-C 3.58Å; L85-V417 WeakPolarHBondContact O-CA 3.49Å; I87-V417 HydrophobicContact CD1-CG1 3.19Å; I87-V417 HydrophobicContact CG1-CG1 3.72Å; V96-V417 HydrophobicContact CG1-CG1 4.26Å; F104-V417 HydrophobicContact CE1-CG2 4.07Å; E389-V417 CarbonylContact C-O 3.6Å; E389-V417 WeakPolarHBondContact CA-O 3.36Å; R390-V417 PolarHBondContact N-O 3.39Å; R390-V417 PolarHBondContact O-N 3.44Å; T411-V417 HydrophobicContact CG2-CG2 3.91Å
418F98.4Very high96.2Very high2 Ų228.2 Ų28.21%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-118.2143.7-176.4-62.8-72.2000111.1F56 L60 I77 L79 A84 L85 L86 I87 L387 L388 E389 P416F56-F418 HydrophobicContact CE1-CD1 4.05Å; F56-F418 HydrophobicContact CE1-CD2 4.34Å; F56-F418 AromaticContact CE1-CE1 3.79Å; F56-F418 HydrophobicContact CE1-CE1 3.79Å; F56-F418 HydrophobicContact CE1-CE2 4.09Å; F56-F418 HydrophobicContact CE1-CG 4.31Å; F56-F418 AromaticContact CE1-CZ 3.82Å; F56-F418 HydrophobicContact CE1-CZ 3.82Å; F56-F418 HydrophobicContact CZ-CD2 4.22Å; F56-F418 HydrophobicContact CZ-CE1 4.48Å; F56-F418 AromaticContact CZ-CE2 3.96Å; F56-F418 HydrophobicContact CZ-CE2 3.96Å; F56-F418 HydrophobicContact CZ-CZ 4.11Å; L60-F418 HydrophobicContact CD1-CB 3.75Å; L60-F418 HydrophobicContact CD1-CD1 4.32Å; L60-F418 HydrophobicContact CD1-CG 4.04Å; I77-F418 HydrophobicContact CD1-CD2 4.06Å; I77-F418 HydrophobicContact CD1-CE2 4.45Å; L79-F418 HydrophobicContact CD1-CE2 3.87Å; L79-F418 HydrophobicContact CD1-CZ 3.83Å; L79-F418 HydrophobicContact CD2-CE2 4.45Å; L79-F418 HydrophobicContact CG-CE2 4.43Å; A84-F418 HydrophobicContact CB-CD2 4.15Å; A84-F418 HydrophobicContact CB-CE2 3.83Å; L85-F418 PolarHBondContact O-N 2.87Å; L86-F418 CarbonylContact C-O 3.5Å; L86-F418 WeakPolarHBondContact CA-O 3.43Å; I87-F418 PolarHBondContact N-O 2.91Å; L387-F418 HydrophobicContact CD1-CD1 4.03Å; L387-F418 HydrophobicContact CD1-CE1 4.41Å; L388-F418 CarbonylContact O-C 3.56Å; L388-F418 WeakPolarHBondContact O-CA 3.23Å; E389-F418 HydrophobicContact CB-CD1 3.69Å; E389-F418 HydrophobicContact CB-CE1 3.61Å; P416-F418 HydrophobicContact CB-CE2 3.72Å; P416-F418 HydrophobicContact CB-CZ 3.86Å; P416-F418 HydrophobicContact CG-CE2 4.35Å
419I98.5Very high96.5Very high1 Ų129.4 Ų29.41%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-127120.1174.3-61.2154.3000105.8I87 V93 L97 L387 L388 N421 I424 M456I87-I419 HydrophobicContact CB-CG1 4.23Å; I87-I419 HydrophobicContact CD1-CG1 4.41Å; V93-I419 HydrophobicContact CG1-CD1 3.96Å; V93-I419 HydrophobicContact CG1-CG1 4.48Å; V93-I419 HydrophobicContact CG1-CG2 4.12Å; V93-I419 HydrophobicContact CG2-CD1 4.41Å; V93-I419 HydrophobicContact CG2-CG1 4.14Å; V93-I419 HydrophobicContact CG2-CG2 3.94Å; L97-I419 HydrophobicContact CD1-CD1 3.83Å; L97-I419 HydrophobicContact CD2-CD1 3.69Å; L97-I419 HydrophobicContact CG-CD1 3.68Å; L387-I419 CarbonylContact C-O 3.34Å; L387-I419 VanDerWaalsContact CA-O 3.26Å; L387-I419 WeakPolarHBondContact CA-O 3.47Å; L388-I419 HydrophobicContact CB-CB 4.25Å; L388-I419 PolarHBondContact N-O 3.16Å; L388-I419 PolarHBondContact O-N 3.28Å; I419-N421 PolarHBondContact O-N 3.38Å; I419-I424 HydrophobicContact CG2-CD1 3.61Å; I419-M456 HydrophobicContact CG2-CE 4.15Å
420S98.2Very high96.7Very high0 Ų031.1 Ų31.10%014%0.14CC..  trans-85.596.8178.5-175.60000109.5L422 A423 I424S420-L422 PolarHBondContact O-N 3.08Å; S420-A423 PolarHBondContact O-N 3.11Å; S420-A423 VanDerWaalsContact OG-CB 3.29Å; S420-A423 WeakPolarHBondContact OG-CB 3.43Å; S420-A423 PolarHBondContact OG-N 2.94Å; S420-A423 VanDerWaalsContact OG-N 3.13Å; S420-I424 WeakPolarHBondContact O-CG1 3.48Å; S420-I424 PolarHBondContact O-N 3.15Å
421N97.1Very high97Very high0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-56.2-44.3171.4-83.50.2000110.6P383 V385 P386 L388 I419 A423 I424 H425 M456P383-N421 HydrophobicContact CB-CB 4.33Å; V385-N421 PolarHBondContact O-ND2 3.42Å; P386-N421 PolarHBondContact O-N 2.97Å; L388-N421 WeakPolarHBondContact CD1-OD1 3.3Å; I419-N421 PolarHBondContact O-N 3.38Å; N421-A423 VanDerWaalsContact C-N 3.3Å; N421-A423 PolarHBondContact O-N 2.93Å; N421-I424 PolarHBondContact O-N 3.4Å; N421-H425 WeakPolarHBondContact O-CB 3.43Å; N421-H425 PolarHBondContact O-CD2 2.93Å; N421-H425 VanDerWaalsContact O-CD2 3.31Å; N421-H425 VanDerWaalsContact O-CG 3.26Å; N421-H425 PolarHBondContact O-N 2.87Å; N421-M456 PolarHBondContact ND2-O 3.09Å
422L97.5Very high97.1Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-58.7-41.3179.2-177.364.7000112.3L58 R61 P383 P386 S420 H426 F500 L507L58-L422 HydrophobicContact CD2-CD2 3.83Å; R61-L422 HydrophobicContact CB-CD2 4.32Å; P383-L422 HydrophobicContact CG-CB 4.21Å; P383-L422 HydrophobicContact CG-CD1 3.94Å; P386-L422 HydrophobicContact CB-CB 3.86Å; P386-L422 HydrophobicContact CB-CD2 4.38Å; P386-L422 PolarHBondContact O-N 3.2Å; S420-L422 PolarHBondContact O-N 3.08Å; L422-H426 PolarHBondContact O-N 3.47Å; L422-H426 PolarHBondContact O-ND1 3.21Å; L422-F500 HydrophobicContact CD1-CE2 4.47Å; L422-L507 HydrophobicContact CD1-CD1 4.33Å; L422-L507 HydrophobicContact CD1-CD2 4.06Å; L422-L507 HydrophobicContact CD2-CD1 4.05Å
423A98Very high97.2Very high0 Ų031.4 Ų31.40%016%0.159CC..Hα-helixtrans-70.9-47.4177.500000112.2R61 Y64 F65 S420 N421 H425 H426 D427R61-A423 HydrophobicContact CB-CB 4.33Å; R61-A423 HydrophobicContact CG-CB 4.13Å; Y64-A423 HydrophobicContact CD1-CB 3.56Å; Y64-A423 HydrophobicContact CD2-CB 3.81Å; Y64-A423 HydrophobicContact CE1-CB 4.19Å; Y64-A423 HydrophobicContact CE2-CB 4.39Å; Y64-A423 HydrophobicContact CG-CB 3.37Å; F65-A423 HydrophobicContact CD2-CB 4.48Å; F65-A423 HydrophobicContact CE2-CB 3.9Å; F65-A423 HydrophobicContact CZ-CB 4.36Å; F65-A423 WeakPolarHBondContact CZ-O 3.46Å; S420-A423 PolarHBondContact O-N 3.11Å; S420-A423 VanDerWaalsContact OG-CB 3.29Å; S420-A423 WeakPolarHBondContact OG-CB 3.43Å; S420-A423 PolarHBondContact OG-N 2.94Å; S420-A423 VanDerWaalsContact OG-N 3.13Å; N421-A423 VanDerWaalsContact C-N 3.3Å; N421-A423 PolarHBondContact O-N 2.93Å; A423-H425 VanDerWaalsContact C-N 3.28Å; A423-H425 PolarHBondContact O-N 2.95Å; A423-H426 CarbonylContact O-C 3.59Å; A423-H426 PolarHBondContact O-N 2.94Å; A423-D427 PolarHBondContact O-N 3.32Å
424I98.3Very high97.3Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-59.8-40.6-179.7-67.1168.2000110.7Y64 L90 V93 I419 S420 N421 H426 D427 Y430 W431 S454 M456Y64-I424 HydrophobicContact CE2-CG1 3.98Å; L90-I424 HydrophobicContact CD2-CD1 4.04Å; L90-I424 HydrophobicContact CD2-CG1 4.38Å; L90-I424 HydrophobicContact CD2-CG2 3.96Å; V93-I424 HydrophobicContact CG2-CD1 4.44Å; I419-I424 HydrophobicContact CG2-CD1 3.61Å; S420-I424 WeakPolarHBondContact O-CG1 3.48Å; S420-I424 PolarHBondContact O-N 3.15Å; N421-I424 PolarHBondContact O-N 3.4Å; I424-H426 PolarHBondContact O-N 2.88Å; I424-D427 PolarHBondContact O-N 2.86Å; I424-Y430 HydrophobicContact CG2-CD2 4.34Å; I424-W431 PolarHBondContact O-NE1 2.94Å; I424-S454 WeakPolarHBondContact CG2-O 3.25Å; I424-M456 HydrophobicContact CD1-CE 4.02Å
425H98.4Very high97.3Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-73.8-13.3179.8-66.6-169.2000114R380 N421 A423 W431 S454 M456R380-H425 HydrophobicContact CG-CB 4.14Å; R380-H425 PolarHBondContact NH1-O 3.11Å; R380-H425 WeakPolarHBondContact O-CB 3.26Å; R380-H425 PolarHBondContact O-ND1 3.28Å; N421-H425 WeakPolarHBondContact O-CB 3.43Å; N421-H425 PolarHBondContact O-CD2 2.93Å; N421-H425 VanDerWaalsContact O-CD2 3.31Å; N421-H425 VanDerWaalsContact O-CG 3.26Å; N421-H425 PolarHBondContact O-N 2.87Å; A423-H425 VanDerWaalsContact C-N 3.28Å; A423-H425 PolarHBondContact O-N 2.95Å; H425-W431 VanDerWaalsContact O-CD1 3.31Å; H425-S454 PolarHBondContact CD2-O 2.92Å; H425-M456 PolarHBondContact NE2-N 3.16Å; H425-M456 VanDerWaalsContact NE2-N 3.12Å
426H98Very high97.4Very high11 Ų1134.6 Ų34.65%0.05117%0.174CC..THydrogen-bonded Turntrans-112.610.1174.1-68.877.1000113F65 K381 L422 A423 I424 P428 P434 D435F65-H426 HydrophobicContact CZ-CB 4.47Å; K381-H426 PolarHBondContact O-CE1 3Å; K381-H426 PolarHBondContact O-NE2 3.39Å; L422-H426 PolarHBondContact O-N 3.47Å; L422-H426 PolarHBondContact O-ND1 3.21Å; A423-H426 CarbonylContact O-C 3.59Å; A423-H426 PolarHBondContact O-N 2.94Å; I424-H426 PolarHBondContact O-N 2.88Å; H426-P428 VanDerWaalsContact O-CD 3.29Å; H426-P428 WeakPolarHBondContact O-CD 3.31Å; H426-P434 HydrophobicContact CB-CB 4.33Å; H426-P434 WeakPolarHBondContact O-CG 3.3Å; H426-D435 IonicContact CD2-OD1 3.38Å
427D97.7Very high97.4Very high16 Ų1634.8 Ų34.89%0.08618%0.175CC..  trans-78.7114.9-179.8-169.8-21.4000109.1Y64 F65 A423 I424 K429 Y430 W431Y64-D427 HydrophobicContact CE1-CB 4.29Å; Y64-D427 VanDerWaalsContact CE1-OD2 3.26Å; Y64-D427 WeakPolarHBondContact CE1-OD2 3.49Å; Y64-D427 PolarHBondContact OH-OD2 3.37Å; F65-D427 HydrophobicContact CE1-CB 4.22Å; F65-D427 HydrophobicContact CZ-CB 4.26Å; A423-D427 PolarHBondContact O-N 3.32Å; I424-D427 PolarHBondContact O-N 2.86Å; D427-K429 PolarHBondContact O-N 2.93Å; D427-K429 WeakPolarHBondContact OD1-CB 3.22Å; D427-K429 PolarHBondContact OD1-N 3.45Å; D427-Y430 HydrophobicContact CB-CD2 3.84Å; D427-Y430 HydrophobicContact CB-CE2 4.25Å; D427-Y430 PolarHBondContact O-N 3.25Å; D427-W431 PolarHBondContact O-N 2.93Å
428P96.8Very high97.4Very high81 Ų8136.4 Ų36.453%0.52618%0.183SC..THydrogen-bonded Turntrans-61.5-15.3-179.626.1-34.9000113.3H426 Y430 W431 P434H426-P428 VanDerWaalsContact O-CD 3.29Å; H426-P428 WeakPolarHBondContact O-CD 3.31Å; P428-Y430 VanDerWaalsContact C-N 3.27Å; P428-Y430 PolarHBondContact O-N 2.88Å; P428-W431 WeakPolarHBondContact CA-O 3.44Å; P428-P434 HydrophobicContact CB-CG 4.43Å
429K95.4Very high97.4Very high152 Ų15236.4 Ų36.466%0.66118%0.183SC*.THydrogen-bonded Turntrans-61.9-33.4170.2-175.8-177.4171.8-163.50112.7D427D427-K429 PolarHBondContact O-N 2.93Å; D427-K429 WeakPolarHBondContact OD1-CB 3.22Å; D427-K429 PolarHBondContact OD1-N 3.45Å
430Y96.7Very high97.4Very high40 Ų4039.5 Ų39.516%0.15720%0.198CC..THydrogen-bonded Turntrans-109.7-26.6-177.5-49.7-53.8000112.4L90 I424 D427 P428 A451L90-Y430 HydrophobicContact CD1-CD1 4.01Å; L90-Y430 HydrophobicContact CD1-CD2 4.2Å; L90-Y430 HydrophobicContact CD1-CE1 3.52Å; L90-Y430 HydrophobicContact CD1-CE2 3.75Å; L90-Y430 HydrophobicContact CD1-CG 4.34Å; L90-Y430 HydrophobicContact CD2-CE2 4.31Å; L90-Y430 HydrophobicContact CG-CE1 4.33Å; L90-Y430 HydrophobicContact CG-CE2 4.05Å; I424-Y430 HydrophobicContact CG2-CD2 4.34Å; D427-Y430 HydrophobicContact CB-CD2 3.84Å; D427-Y430 HydrophobicContact CB-CE2 4.25Å; D427-Y430 PolarHBondContact O-N 3.25Å; P428-Y430 VanDerWaalsContact C-N 3.27Å; P428-Y430 PolarHBondContact O-N 2.88Å; Y430-A451 HydrophobicContact CD1-CB 3.88Å; Y430-A451 HydrophobicContact CE1-CB 4.34Å
431W97.6Very high97.4Very high6 Ų640.8 Ų40.82%0.02320%0.203CC..SBendtrans-129.890.7-174.1-54.3102.2000110R380 I424 H425 D427 P428 D433 P434 F442 Q450 Y455R380-W431 VanDerWaalsContact CD-CD2 3.46Å; R380-W431 VanDerWaalsContact CD-CZ3 3.46Å; R380-W431 HydrophobicContact CG-CD2 4.15Å; R380-W431 HydrophobicContact CG-CE3 4.23Å; R380-W431 HydrophobicContact CG-CH2 4.13Å; R380-W431 HydrophobicContact CG-CZ2 4.07Å; R380-W431 HydrophobicContact CG-CZ3 4.21Å; I424-W431 PolarHBondContact O-NE1 2.94Å; H425-W431 VanDerWaalsContact O-CD1 3.31Å; D427-W431 PolarHBondContact O-N 2.93Å; P428-W431 WeakPolarHBondContact CA-O 3.44Å; W431-D433 PolarHBondContact O-N 2.85Å; W431-P434 HydrophobicContact CB-CB 4.15Å; W431-P434 WeakPolarHBondContact O-CB 3.24Å; W431-P434 VanDerWaalsContact O-CD 3.22Å; W431-P434 WeakPolarHBondContact O-CD 3.3Å; W431-F442 HydrophobicContact CH2-CE1 4.32Å; W431-F442 AromaticContact CH2-CZ 3.81Å; W431-F442 HydrophobicContact CH2-CZ 3.81Å; W431-F442 HydrophobicContact CZ3-CE2 4.34Å; W431-F442 AromaticContact CZ3-CZ 3.96Å; W431-F442 HydrophobicContact CZ3-CZ 3.96Å; W431-Q450 HydrophobicContact CH2-CG 4.3Å; W431-Q450 HydrophobicContact CZ3-CG 4.36Å; W431-Y455 AromaticContact CH2-CD2 3.99Å; W431-Y455 HydrophobicContact CH2-CD2 3.99Å; W431-Y455 HydrophobicContact CH2-CG 4.29Å; W431-Y455 HydrophobicContact CZ2-CD2 4.05Å; W431-Y455 HydrophobicContact CZ2-CG 4.4Å
432P95.7Very high97.4Very high89 Ų8941.1 Ų41.158%0.57820%0.204SC*.SBendtrans-57.9130.6178.8-25.134.5000111.3R441P432-R441 PolarHBondContact O-NH1 3.41Å; P432-R441 PolarHBondContact O-NH2 3.3Å
433D96.8Very high97.4Very high93 Ų9342.2 Ų42.250%0.49721%0.212SC..SBendtrans53.161.3-172.5-170.117.6000112.9W431 D435 R436 R441W431-D433 PolarHBondContact O-N 2.85Å; D433-D435 PolarHBondContact O-N 2.83Å; D433-D435 VanDerWaalsContact O-N 3.17Å; D433-R436 HydrophobicContact CB-CB 4.43Å; D433-R436 PolarHBondContact O-N 3.37Å; D433-R436 VanDerWaalsContact O-N 3.14Å; D433-R436 WeakPolarHBondContact OD2-CB 3.4Å; D433-R436 VanDerWaalsContact OD2-CD 3.25Å; D433-R436 WeakPolarHBondContact OD2-CD 3.49Å; D433-R441 PolarHBondContact O-NH2 3.22Å
434P97.5Very high97.3Very high20 Ų2046.7 Ų46.713%0.1325%0.248CC..THydrogen-bonded Turntrans-66.1-22.5-166.524.2-31.8000114.2R380 H426 P428 W431R380-P434 PolarHBondContact NH1-O 3.41Å; R380-P434 PolarHBondContact NH2-O 3.32Å; H426-P434 HydrophobicContact CB-CB 4.33Å; H426-P434 WeakPolarHBondContact O-CG 3.3Å; P428-P434 HydrophobicContact CB-CG 4.43Å; W431-P434 HydrophobicContact CB-CB 4.15Å; W431-P434 WeakPolarHBondContact O-CB 3.24Å; W431-P434 VanDerWaalsContact O-CD 3.22Å; W431-P434 WeakPolarHBondContact O-CD 3.3Å
435D96Very high97.2Very high70 Ų7050.2 Ų50.237%0.37428%0.278SS..THydrogen-bonded Turntrans-80.7-17.8-179.9-80.8-13.7000112.3K381 H426 D433 R497K381-D435 WeakPolarHBondContact CE-O 3.32Å; K381-D435 PolarHBondContact NZ-O 2.85Å; H426-D435 IonicContact CD2-OD1 3.38Å; D433-D435 PolarHBondContact O-N 2.83Å; D433-D435 VanDerWaalsContact O-N 3.17Å; D435-R497 IonicContact OD1-NH2 3.15Å; D435-R497 IonicContact OD2-NH2 3.73Å; D435-R497 PolarHBondContact OD2-NH2 3.48Å
436R97.1Very high97.1Very high143 Ų14353.5 Ų53.554%0.5430%0.295SS..SBendtrans-77.9131.3173.8177.4179170.7-171.2-5.8110.8R380 D433 D438R380-R436 PolarHBondContact NH2-O 3.3Å; D433-R436 HydrophobicContact CB-CB 4.43Å; D433-R436 PolarHBondContact O-N 3.37Å; D433-R436 VanDerWaalsContact O-N 3.14Å; D433-R436 WeakPolarHBondContact OD2-CB 3.4Å; D433-R436 VanDerWaalsContact OD2-CD 3.25Å; D433-R436 WeakPolarHBondContact OD2-CD 3.49Å; R436-D438 PolarHBondContact O-N 2.92Å
437F98.2Very high97Very high5 Ų557.2 Ų57.22%0.02231%0.311CS..  trans-82.8108.6172.6-173-90.5000109.7E333 Q337 M340 V374 E377 T378 K381 P439E333-F437 HydrophobicContact CB-CB 4.47Å; E333-F437 HydrophobicContact CB-CD1 3.95Å; E333-F437 HydrophobicContact CB-CD2 3.79Å; E333-F437 HydrophobicContact CB-CE1 4.06Å; E333-F437 HydrophobicContact CB-CE2 3.88Å; E333-F437 HydrophobicContact CB-CG 3.82Å; E333-F437 HydrophobicContact CB-CZ 4.02Å; E333-F437 HydrophobicContact CG-CB 4.22Å; E333-F437 HydrophobicContact CG-CD1 4.48Å; E333-F437 HydrophobicContact CG-CD2 3.51Å; E333-F437 HydrophobicContact CG-CE2 3.88Å; E333-F437 HydrophobicContact CG-CG 3.84Å; E333-F437 WeakPolarHBondContact OE2-CB 3.43Å; Q337-F437 PolarHBondContact NE2-O 3.02Å; M340-F437 HydrophobicContact CE-CD1 4.15Å; M340-F437 HydrophobicContact CE-CE1 4.49Å; M340-F437 HydrophobicContact SD-CD1 3.8Å; M340-F437 HydrophobicContact SD-CE1 3.64Å; V374-F437 HydrophobicContact CG1-CZ 4.27Å; E377-F437 HydrophobicContact CB-CE2 4.11Å; E377-F437 HydrophobicContact CB-CZ 4.17Å; E377-F437 HydrophobicContact CG-CD1 4.24Å; E377-F437 HydrophobicContact CG-CD2 3.62Å; E377-F437 HydrophobicContact CG-CE1 4.26Å; E377-F437 HydrophobicContact CG-CE2 3.65Å; E377-F437 HydrophobicContact CG-CG 3.94Å; E377-F437 HydrophobicContact CG-CZ 3.97Å; E377-F437 WeakPolarHBondContact OE1-CA 3.47Å; T378-F437 WeakPolarHBondContact OG1-CE2 3.3Å; K381-F437 HydrophobicContact CD-CB 4.11Å; K381-F437 HydrophobicContact CD-CD2 3.95Å; F437-P439 HydrophobicContact CD1-CG 4.23Å; F437-P439 HydrophobicContact CE1-CG 3.74Å
438D98Very high96.8Very high36 Ų3660.6 Ų60.619%0.19334%0.341CS..  trans-135.797.4-176.9-176.49.7000111.5E377 R436 E440 R441E377-D438 PolarHBondContact OE1-N 3.37Å; R436-D438 PolarHBondContact O-N 2.92Å; D438-E440 PolarHBondContact O-N 2.78Å; D438-E440 VanDerWaalsContact O-N 3.17Å; D438-E440 WeakPolarHBondContact OD1-CB 3.35Å; D438-E440 PolarHBondContact OD1-N 3.45Å; D438-E440 VanDerWaalsContact OD1-N 3.11Å; D438-R441 HydrophobicContact CB-CG 4.27Å; D438-R441 WeakPolarHBondContact O-CB 3.45Å; D438-R441 VanDerWaalsContact O-CG 3.3Å; D438-R441 WeakPolarHBondContact O-CG 3.47Å; D438-R441 PolarHBondContact O-N 2.77Å
439P98.4Very high96.8Very high1 Ų163.5 Ų63.51%0.00635%0.352CS..G310 helixtrans-56-27.5176.4-27.536.5000114M340 F370 M373 V374 F437 R441 F442M340-P439 HydrophobicContact CE-CG 3.8Å; M340-P439 HydrophobicContact SD-CG 3.63Å; F370-P439 HydrophobicContact CE2-CB 4.07Å; F370-P439 HydrophobicContact CZ-CB 4.41Å; F370-P439 HydrophobicContact CZ-CG 4.37Å; M373-P439 HydrophobicContact CB-CB 3.81Å; M373-P439 WeakPolarHBondContact CB-O 3.4Å; V374-P439 HydrophobicContact CG2-CB 4.22Å; V374-P439 HydrophobicContact CG2-CG 3.87Å; F437-P439 HydrophobicContact CD1-CG 4.23Å; F437-P439 HydrophobicContact CE1-CG 3.74Å; P439-R441 PolarHBondContact O-N 3.03Å; P439-F442 PolarHBondContact O-N 3.13Å
440E97.6Very high96.7Very high66 Ų6658.2 Ų58.231%0.30833%0.329SS..G310 helixtrans-64.3-17-176.8-64.7-64.7157.800112.8R343 D438 F442 S443 N446R343-E440 IonicContact CZ-OE1 2.84Å; R343-E440 IonicContact NH1-OE1 2.64Å; R343-E440 PolarHBondContact NH1-OE1 3.24Å; R343-E440 IonicContact NH2-OE1 3.79Å; R343-E440 PolarHBondContact NH2-OE1 3.23Å; D438-E440 PolarHBondContact O-N 2.78Å; D438-E440 VanDerWaalsContact O-N 3.17Å; D438-E440 WeakPolarHBondContact OD1-CB 3.35Å; D438-E440 PolarHBondContact OD1-N 3.45Å; D438-E440 VanDerWaalsContact OD1-N 3.11Å; E440-F442 PolarHBondContact O-N 3.15Å; E440-F442 VanDerWaalsContact O-N 3.14Å; E440-S443 WeakPolarHBondContact O-CB 3.48Å; E440-S443 PolarHBondContact O-N 3.47Å; E440-S443 VanDerWaalsContact O-N 3.11Å; E440-S443 PolarHBondContact O-OG 2.94Å; E440-N446 PolarHBondContact O-ND2 3.01Å
441R97.6Very high96.7Very high28 Ų2858.1 Ų58.111%0.10634%0.337CS..G310 helixtrans-56.8-24.6169.5-65.3178.8-165.3-741113.4E377 P432 D433 D438 P439 N446 Q450E377-R441 IonicContact OE1-NE 3.67Å; E377-R441 WeakPolarHBondContact OE2-CD 3.47Å; P432-R441 PolarHBondContact O-NH1 3.41Å; P432-R441 PolarHBondContact O-NH2 3.3Å; D433-R441 PolarHBondContact O-NH2 3.22Å; D438-R441 HydrophobicContact CB-CG 4.27Å; D438-R441 WeakPolarHBondContact O-CB 3.45Å; D438-R441 VanDerWaalsContact O-CG 3.3Å; D438-R441 WeakPolarHBondContact O-CG 3.47Å; D438-R441 PolarHBondContact O-N 2.77Å; P439-R441 PolarHBondContact O-N 3.03Å; R441-N446 WeakPolarHBondContact O-CB 3.47Å; R441-Q450 PolarHBondContact O-NE2 3.02Å
442F98.2Very high96.6Very high7 Ų761.6 Ų61.63%0.03136%0.36CS..G310 helixtrans-106.38.5-178-71.1-79.8000113.4M373 E376 E377 R380 W431 P439 E440 Y455M373-F442 HydrophobicContact CB-CB 4.28Å; M373-F442 HydrophobicContact CG-CB 3.97Å; E376-F442 HydrophobicContact CB-CB 4.06Å; E376-F442 HydrophobicContact CB-CD1 3.53Å; E376-F442 HydrophobicContact CB-CD2 3.86Å; E376-F442 HydrophobicContact CB-CE1 3.89Å; E376-F442 HydrophobicContact CB-CE2 4.2Å; E376-F442 HydrophobicContact CB-CG 3.51Å; E376-F442 HydrophobicContact CB-CZ 4.22Å; E376-F442 HydrophobicContact CG-CD1 4.25Å; E376-F442 WeakPolarHBondContact OE2-CB 3.45Å; E376-F442 WeakPolarHBondContact OE2-CD1 3.11Å; E377-F442 HydrophobicContact CB-CD2 3.98Å; E377-F442 HydrophobicContact CB-CE2 4.14Å; E377-F442 WeakPolarHBondContact OE2-CE2 3.36Å; R380-F442 HydrophobicContact CB-CE2 3.98Å; R380-F442 HydrophobicContact CB-CZ 3.96Å; R380-F442 HydrophobicContact CG-CZ 4.39Å; W431-F442 HydrophobicContact CH2-CE1 4.32Å; W431-F442 AromaticContact CH2-CZ 3.81Å; W431-F442 HydrophobicContact CH2-CZ 3.81Å; W431-F442 HydrophobicContact CZ3-CE2 4.34Å; W431-F442 AromaticContact CZ3-CZ 3.96Å; W431-F442 HydrophobicContact CZ3-CZ 3.96Å; P439-F442 PolarHBondContact O-N 3.13Å; E440-F442 PolarHBondContact O-N 3.15Å; E440-F442 VanDerWaalsContact O-N 3.14Å; F442-Y455 HydrophobicContact CE1-CD1 4.04Å; F442-Y455 AromaticContact CE1-CD2 3.94Å; F442-Y455 HydrophobicContact CE1-CD2 3.94Å; F442-Y455 AromaticContact CE1-CE1 3.87Å; F442-Y455 HydrophobicContact CE1-CE1 3.87Å; F442-Y455 AromaticContact CE1-CE2 3.77Å; F442-Y455 HydrophobicContact CE1-CE2 3.77Å; F442-Y455 HydrophobicContact CE1-CG 4.06Å; F442-Y455 AromaticContact CE1-CZ 3.69Å; F442-Y455 HydrophobicContact CE2-CE2 4.47Å; F442-Y455 AromaticContact CZ-CD2 3.67Å; F442-Y455 HydrophobicContact CZ-CD2 3.67Å; F442-Y455 HydrophobicContact CZ-CE1 4.37Å; F442-Y455 AromaticContact CZ-CE2 3.41Å; F442-Y455 HydrophobicContact CZ-CE2 3.41Å; F442-Y455 VanDerWaalsContact CZ-CE2 3.41Å; F442-Y455 HydrophobicContact CZ-CG 4.25Å; F442-Y455 AromaticContact CZ-CZ 3.77Å
443S97.7Very high96.7Very high23 Ų2358.8 Ų58.816%0.16134%0.34CS..SBendtrans-56.3151.9165.165.50000110.3M373 E440 A445 N446 K447M373-S443 VanDerWaalsContact SD-CA 3.5Å; M373-S443 PolarHBondContact SD-N 3.43Å; M373-S443 VanDerWaalsContact SD-N 3.4Å; E440-S443 WeakPolarHBondContact O-CB 3.48Å; E440-S443 PolarHBondContact O-N 3.47Å; E440-S443 VanDerWaalsContact O-N 3.11Å; E440-S443 PolarHBondContact O-OG 2.94Å; S443-A445 PolarHBondContact O-N 3.45Å; S443-A445 VanDerWaalsContact O-N 3.12Å; S443-N446 PolarHBondContact O-N 3.02Å; S443-N446 WeakPolarHBondContact OG-CB 3.3Å; S443-N446 PolarHBondContact OG-N 3.36Å; S443-N446 PolarHBondContact OG-ND2 2.81Å; S443-K447 VanDerWaalsContact O-CB 3.32Å; S443-K447 WeakPolarHBondContact O-CB 3.11Å; S443-K447 PolarHBondContact O-N 3.06Å
444A95.7Very high96.8Very high93 Ų9354.4 Ų54.477%0.76932%0.316SS*.Hα-helixtrans-52.5-39.8-177.800000112.7A448A444-A448 PolarHBondContact O-N 2.86Å
445A96.5Very high96.8Very high74 Ų7455.7 Ų55.761%0.61232%0.319SS*.Hα-helixtrans-66.3-47.4177.300000112.7S443S443-A445 PolarHBondContact O-N 3.45Å; S443-A445 VanDerWaalsContact O-N 3.12Å
446N96.7Very high96.9Very high70 Ų7052.6 Ų52.637%0.37430%0.302SS..Hα-helixtrans-75-32.1-177.2-72.5-24000112.6E440 R441 S443 A448 L449E440-N446 PolarHBondContact O-ND2 3.01Å; R441-N446 WeakPolarHBondContact O-CB 3.47Å; S443-N446 PolarHBondContact O-N 3.02Å; S443-N446 WeakPolarHBondContact OG-CB 3.3Å; S443-N446 PolarHBondContact OG-N 3.36Å; S443-N446 PolarHBondContact OG-ND2 2.81Å; N446-A448 VanDerWaalsContact C-N 3.28Å; N446-A448 PolarHBondContact O-N 3.02Å; N446-L449 WeakPolarHBondContact O-CB 3.47Å; N446-L449 PolarHBondContact O-N 3.12Å; N446-L449 VanDerWaalsContact O-N 3.09Å
447K94.9Very high96.9Very high89 Ų8946.7 Ų46.739%0.38728%0.282SS..Hα-helixtrans-61.6-37176.9-166.3171.1-169.5159.70112.2E376 S443 L449 Q450E376-K447 IonicContact OE1-NZ 3.42Å; E376-K447 PolarHBondContact OE1-NZ 3.18Å; E376-K447 IonicContact OE2-NZ 2.66Å; E376-K447 PolarHBondContact OE2-NZ 3.42Å; S443-K447 VanDerWaalsContact O-CB 3.32Å; S443-K447 WeakPolarHBondContact O-CB 3.11Å; S443-K447 PolarHBondContact O-N 3.06Å; K447-L449 PolarHBondContact O-N 3.43Å; K447-Q450 WeakPolarHBondContact O-CB 3.23Å; K447-Q450 PolarHBondContact O-N 3.3Å
448A94.5Very high96.9Very high86 Ų8648.5 Ų48.571%0.71129%0.29SS*.THydrogen-bonded Turntrans-65.2-20.9176.500000113.6A444 N446A444-A448 PolarHBondContact O-N 2.86Å; N446-A448 VanDerWaalsContact C-N 3.28Å; N446-A448 PolarHBondContact O-N 3.02Å
449L94.9Very high96.9Very high143 Ų14347.4 Ų47.475%0.74929%0.288SS*.THydrogen-bonded Turntrans-91.1-8.5179.8-58175000113.2N446 K447N446-L449 WeakPolarHBondContact O-CB 3.47Å; N446-L449 PolarHBondContact O-N 3.12Å; N446-L449 VanDerWaalsContact O-N 3.09Å; K447-L449 PolarHBondContact O-N 3.43Å
450Q95.2Very high96.8Very high41 Ų4148.1 Ų48.119%0.19229%0.293CS..SBendtrans-67.5136.5-176.7-65.4-179.89.900111.3W431 R441 K447W431-Q450 HydrophobicContact CH2-CG 4.3Å; W431-Q450 HydrophobicContact CZ3-CG 4.36Å; R441-Q450 PolarHBondContact O-NE2 3.02Å; K447-Q450 WeakPolarHBondContact O-CB 3.23Å; K447-Q450 PolarHBondContact O-N 3.3Å
451A96.6Very high96.8Very high37 Ų3746 Ų4631%0.30629%0.29SS..PPolyproline II helixtrans-62.9132.817700000110.4L90 Y430 M453 S454L90-A451 HydrophobicContact CD1-CB 4.15Å; Y430-A451 HydrophobicContact CD1-CB 3.88Å; Y430-A451 HydrophobicContact CE1-CB 4.34Å; A451-M453 PolarHBondContact O-N 3.18Å; A451-S454 WeakPolarHBondContact O-CB 3.25Å; A451-S454 PolarHBondContact O-N 3.05Å; A451-S454 PolarHBondContact O-OG 3.44Å
452P95.7Very high96.8Very high80 Ų8047.4 Ų47.452%0.51930%0.302SS..THydrogen-bonded Turntrans-53.9139.4176.2-27.534.9000111.9L90 S454L90-P452 WeakPolarHBondContact CD1-O 3.31Å; P452-S454 PolarHBondContact O-N 2.69Å
453M97.1Very high96.7Very high30 Ų3047.3 Ų47.315%0.14830%0.302CS..THydrogen-bonded Turntrans64.55.6-174.7-47.1-62.6-80.800115.7L90 V93 R94 L97 V98 A451 Y455 M456 A460L90-M453 HydrophobicContact CB-CB 4.39Å; L90-M453 HydrophobicContact CD2-CB 4.39Å; V93-M453 HydrophobicContact CG1-CB 4.25Å; V93-M453 HydrophobicContact CG1-CE 3.81Å; R94-M453 HydrophobicContact CB-CE 4.28Å; R94-M453 HydrophobicContact CB-CG 3.83Å; R94-M453 HydrophobicContact CB-SD 4.3Å; R94-M453 HydrophobicContact CG-CG 4.41Å; R94-M453 HydrophobicContact CG-SD 4.43Å; L97-M453 HydrophobicContact CB-CE 4.1Å; L97-M453 HydrophobicContact CD1-CE 3.93Å; V98-M453 HydrophobicContact CG2-CE 4.19Å; A451-M453 PolarHBondContact O-N 3.18Å; M453-Y455 VanDerWaalsContact C-N 3.34Å; M453-M456 HydrophobicContact CB-SD 3.99Å; M453-M456 HydrophobicContact CE-SD 3.7Å; M453-M456 WeakPolarHBondContact O-CE 3.33Å; M453-M456 HydrophobicContact SD-SD 4.33Å; M453-A460 HydrophobicContact CE-CB 3.49Å; M453-A460 VanDerWaalsContact CE-CB 3.49Å; M453-A460 HydrophobicContact SD-CB 4.18Å
454S97.9Very high96.6Very high1 Ų148.3 Ų48.31%0.00731%0.306CS..SBendtrans-76.5-22.4172.667.40000113.1I424 H425 A451 P452I424-S454 WeakPolarHBondContact CG2-O 3.25Å; H425-S454 PolarHBondContact CD2-O 2.92Å; A451-S454 WeakPolarHBondContact O-CB 3.25Å; A451-S454 PolarHBondContact O-N 3.05Å; A451-S454 PolarHBondContact O-OG 3.44Å; P452-S454 PolarHBondContact O-N 2.69Å
455Y98.2Very high96.7Very high46 Ų4646.3 Ų46.318%0.1829%0.285CS..  trans-119.6114.3176.4-171.4-111.9000110.6E376 R380 W431 F442 M453 P457E376-Y455 WeakPolarHBondContact CA-OH 3.47Å; E376-Y455 WeakPolarHBondContact CB-OH 3.48Å; E376-Y455 PolarHBondContact O-OH 3.07Å; R380-Y455 HydrophobicContact CB-CD2 4.2Å; R380-Y455 HydrophobicContact CB-CE2 3.75Å; R380-Y455 HydrophobicContact CG-CD2 4.35Å; R380-Y455 HydrophobicContact CG-CE2 4.4Å; W431-Y455 AromaticContact CH2-CD2 3.99Å; W431-Y455 HydrophobicContact CH2-CD2 3.99Å; W431-Y455 HydrophobicContact CH2-CG 4.29Å; W431-Y455 HydrophobicContact CZ2-CD2 4.05Å; W431-Y455 HydrophobicContact CZ2-CG 4.4Å; F442-Y455 HydrophobicContact CE1-CD1 4.04Å; F442-Y455 AromaticContact CE1-CD2 3.94Å; F442-Y455 HydrophobicContact CE1-CD2 3.94Å; F442-Y455 AromaticContact CE1-CE1 3.87Å; F442-Y455 HydrophobicContact CE1-CE1 3.87Å; F442-Y455 AromaticContact CE1-CE2 3.77Å; F442-Y455 HydrophobicContact CE1-CE2 3.77Å; F442-Y455 HydrophobicContact CE1-CG 4.06Å; F442-Y455 AromaticContact CE1-CZ 3.69Å; F442-Y455 HydrophobicContact CE2-CE2 4.47Å; F442-Y455 AromaticContact CZ-CD2 3.67Å; F442-Y455 HydrophobicContact CZ-CD2 3.67Å; F442-Y455 HydrophobicContact CZ-CE1 4.37Å; F442-Y455 AromaticContact CZ-CE2 3.41Å; F442-Y455 HydrophobicContact CZ-CE2 3.41Å; F442-Y455 VanDerWaalsContact CZ-CE2 3.41Å; F442-Y455 HydrophobicContact CZ-CG 4.25Å; F442-Y455 AromaticContact CZ-CZ 3.77Å; M453-Y455 VanDerWaalsContact C-N 3.34Å; Y455-P457 HydrophobicContact CD1-CG 4.32Å; Y455-P457 HydrophobicContact CE1-CG 3.68Å; Y455-P457 HydrophobicContact CE2-CG 3.95Å
456M97.9Very high96.7Very high6 Ų644.4 Ų44.43%0.0326%0.264CS..  trans-150.246.6-173.5-59.2178.8-6700112.9V93 L97 I419 N421 I424 H425 M453 F458 G459 A460V93-M456 HydrophobicContact CG1-CE 3.77Å; V93-M456 HydrophobicContact CG1-SD 3.78Å; L97-M456 HydrophobicContact CD1-SD 3.92Å; I419-M456 HydrophobicContact CG2-CE 4.15Å; N421-M456 PolarHBondContact ND2-O 3.09Å; I424-M456 HydrophobicContact CD1-CE 4.02Å; H425-M456 PolarHBondContact NE2-N 3.16Å; H425-M456 VanDerWaalsContact NE2-N 3.12Å; M453-M456 HydrophobicContact CB-SD 3.99Å; M453-M456 HydrophobicContact CE-SD 3.7Å; M453-M456 WeakPolarHBondContact O-CE 3.33Å; M453-M456 HydrophobicContact SD-SD 4.33Å; M456-F458 PolarHBondContact O-N 3.23Å; M456-F458 VanDerWaalsContact O-N 3.17Å; M456-G459 PolarHBondContact O-N 2.76Å; M456-A460 HydrophobicContact CG-CB 4.44Å; M456-A460 HydrophobicContact SD-CB 4.16Å
457P97.7Very high96.6Very high18 Ų1841.7 Ų41.712%0.11725%0.253CS..THydrogen-bonded Turntrans-60.7-28.8-177.228.1-37.1000112.9L379 Y455L379-P457 HydrophobicContact CB-CB 3.79Å; L379-P457 HydrophobicContact CB-CG 4.13Å; L379-P457 HydrophobicContact CD1-CB 4.49Å; L379-P457 HydrophobicContact CD1-CG 4.48Å; Y455-P457 HydrophobicContact CD1-CG 4.32Å; Y455-P457 HydrophobicContact CE1-CG 3.68Å; Y455-P457 HydrophobicContact CE2-CG 3.95Å
458F98Very high96.7Very high43 Ų4340.2 Ų40.219%0.18925%0.248CC..THydrogen-bonded Turntrans-98.711.5175.7-64.3-77.4000113.3L379 M456 N464 C465 M468 L472L379-F458 HydrophobicContact CD1-CE2 3.58Å; L379-F458 HydrophobicContact CD1-CZ 3.77Å; M456-F458 PolarHBondContact O-N 3.23Å; M456-F458 VanDerWaalsContact O-N 3.17Å; F458-N464 CarbonylContact O-C 3.37Å; F458-N464 WeakPolarHBondContact O-CA 3.48Å; F458-N464 WeakPolarHBondContact O-CB 3.41Å; F458-C465 HydrophobicContact CB-CB 3.77Å; F458-C465 HydrophobicContact CD1-CB 3.72Å; F458-C465 HydrophobicContact CG-CB 4.22Å; F458-C465 PolarHBondContact O-N 2.81Å; F458-M468 HydrophobicContact CB-CB 4.32Å; F458-M468 HydrophobicContact CB-CG 4.09Å; F458-M468 HydrophobicContact CB-SD 3.98Å; F458-M468 HydrophobicContact CD1-CB 4.02Å; F458-M468 HydrophobicContact CD1-CG 3.99Å; F458-M468 HydrophobicContact CD2-CB 4.47Å; F458-M468 HydrophobicContact CD2-CG 3.59Å; F458-M468 HydrophobicContact CD2-SD 3.92Å; F458-M468 HydrophobicContact CE1-CB 4.48Å; F458-M468 HydrophobicContact CE1-CG 4.32Å; F458-M468 HydrophobicContact CE2-CG 3.97Å; F458-M468 HydrophobicContact CG-CB 4.01Å; F458-M468 HydrophobicContact CG-CG 3.6Å; F458-M468 HydrophobicContact CG-SD 4.04Å; F458-M468 HydrophobicContact CZ-CG 4.32Å; F458-L472 HydrophobicContact CE2-CD1 4.28Å; F458-L472 HydrophobicContact CE2-CD2 3.9Å; F458-L472 HydrophobicContact CE2-CG 3.98Å; F458-L472 HydrophobicContact CZ-CD2 3.94Å; F458-L472 HydrophobicContact CZ-CG 3.89Å
459G97.3Very high96.7Very high14 Ų1440.7 Ų40.714%0.14424%0.235CC..  trans68.8-174.1-168.900000113.2M456M456-G459 PolarHBondContact O-N 2.76Å
460A97.3Very high96.7Very high15 Ų1534.5 Ų34.512%0.12420%0.203CC..  trans-137.2161.8-179.600000112L97 V98 M453 M456L97-A460 HydrophobicContact CB-CB 4.3Å; L97-A460 HydrophobicContact CD1-CB 3.93Å; V98-A460 HydrophobicContact CG2-CB 4.44Å; M453-A460 HydrophobicContact CE-CB 3.49Å; M453-A460 VanDerWaalsContact CE-CB 3.49Å; M453-A460 HydrophobicContact SD-CB 4.18Å; M456-A460 HydrophobicContact CG-CB 4.44Å; M456-A460 HydrophobicContact SD-CB 4.16Å
461G97Very high96.8Very high23 Ų2332.9 Ų32.924%0.23720%0.198CC..G310 helixtrans71.4-166.3177.800000114.8L97 R463 N464L97-G461 WeakPolarHBondContact O-CA 3.39Å; G461-R463 PolarHBondContact O-N 2.93Å; G461-N464 WeakPolarHBondContact O-CB 3.42Å; G461-N464 PolarHBondContact O-N 3.47Å; G461-N464 PolarHBondContact O-OD1 3.03Å
462P96.9Very high96.8Very high56 Ų5632.4 Ų32.436%0.36419%0.19SC..G310 helixtrans-60.5-15.7-171.2-27.336.5000115.5F101 W131 R135F101-P462 HydrophobicContact CB-CG 4.2Å; F101-P462 HydrophobicContact CD1-CB 3.91Å; F101-P462 HydrophobicContact CD1-CG 3.73Å; F101-P462 HydrophobicContact CD2-CB 4.19Å; F101-P462 HydrophobicContact CD2-CG 4.1Å; F101-P462 HydrophobicContact CE1-CB 3.79Å; F101-P462 HydrophobicContact CE1-CG 4.16Å; F101-P462 HydrophobicContact CE2-CB 4.08Å; F101-P462 HydrophobicContact CE2-CG 4.49Å; F101-P462 HydrophobicContact CG-CB 4.12Å; F101-P462 HydrophobicContact CG-CG 3.71Å; F101-P462 HydrophobicContact CZ-CB 3.89Å; W131-P462 HydrophobicContact CH2-CB 4.33Å; W131-P462 WeakPolarHBondContact CH2-O 3.47Å; W131-P462 WeakPolarHBondContact CZ2-O 3.47Å; R135-P462 WeakPolarHBondContact CD-O 3.4Å; R135-P462 PolarHBondContact NE-O 2.63Å; R135-P462 PolarHBondContact NH2-O 3.49Å
463R96.3Very high96.9Very high5 Ų529.2 Ų29.22%0.01917%0.168CC..G310 helixtrans-11524.2-179.7-162.5160.1-177.5152.54.6112.7F101 S105 F124 A126 W131 G461F101-R463 HydrophobicContact CE2-CB 3.73Å; F101-R463 HydrophobicContact CZ-CB 4.24Å; S105-R463 WeakPolarHBondContact O-CD 3.5Å; S105-R463 PolarHBondContact O-NH1 3.19Å; F124-R463 PolarHBondContact O-NH2 3.45Å; A126-R463 PolarHBondContact O-NH2 3.06Å; W131-R463 HydrophobicContact CH2-CB 4.09Å; W131-R463 HydrophobicContact CH2-CG 4.39Å; W131-R463 HydrophobicContact CZ2-CB 3.57Å; W131-R463 HydrophobicContact CZ2-CG 3.51Å; G461-R463 PolarHBondContact O-N 2.93Å
464N97Very high96.9Very high45 Ų4527.9 Ų27.924%0.24116%0.162CC..SBendtrans-64.5173.4165.975.6-18.8000111.5R135 F458 G461 I466R135-N464 PolarHBondContact NH1-O 3.37Å; R135-N464 PolarHBondContact NH2-O 3.07Å; R135-N464 PolarHBondContact NH2-OD1 2.85Å; F458-N464 CarbonylContact O-C 3.37Å; F458-N464 WeakPolarHBondContact O-CA 3.48Å; F458-N464 WeakPolarHBondContact O-CB 3.41Å; G461-N464 WeakPolarHBondContact O-CB 3.42Å; G461-N464 PolarHBondContact O-N 3.47Å; G461-N464 PolarHBondContact O-OD1 3.03Å; N464-I466 PolarHBondContact O-N 3.36Å
465C97.4Very high96.9Very high50 Ų5028.1 Ų28.134%0.33816%0.163SC..  trans-59.9122.3177.1-170.30000110.5F458 G467 M468F458-C465 HydrophobicContact CB-CB 3.77Å; F458-C465 HydrophobicContact CD1-CB 3.72Å; F458-C465 HydrophobicContact CG-CB 4.22Å; F458-C465 PolarHBondContact O-N 2.81Å; C465-G467 VanDerWaalsContact C-N 3.3Å; C465-G467 PolarHBondContact SG-N 3.36Å; C465-M468 HydrophobicContact CB-CB 4.41Å
466I95.5Very high96.9Very high34 Ų3427.1 Ų27.117%0.17416%0.159CC..THydrogen-bonded Turntrans-69.6-33.2174.7-160.6175.4000111.1L123 R135 L138 F142 N464 M468L123-I466 HydrophobicContact CD2-CB 4.26Å; L123-I466 HydrophobicContact CD2-CD1 4.14Å; L123-I466 HydrophobicContact CD2-CG2 3.66Å; R135-I466 HydrophobicContact CG-CD1 4.3Å; L138-I466 HydrophobicContact CB-CD1 3.82Å; F142-I466 HydrophobicContact CD2-CB 4.48Å; F142-I466 HydrophobicContact CD2-CD1 3.72Å; F142-I466 HydrophobicContact CD2-CG1 3.64Å; F142-I466 HydrophobicContact CD2-CG2 4.21Å; F142-I466 HydrophobicContact CE2-CD1 3.94Å; F142-I466 HydrophobicContact CE2-CG1 4.12Å; F142-I466 HydrophobicContact CE2-CG2 3.93Å; F142-I466 HydrophobicContact CG-CG1 4.21Å; F142-I466 HydrophobicContact CZ-CG2 4.2Å; N464-I466 PolarHBondContact O-N 3.36Å; I466-M468 VanDerWaalsContact C-N 3.32Å; I466-M468 PolarHBondContact O-N 3.1Å
467G95.1Very high96.9Very high13 Ų1326.8 Ų26.813%0.13416%0.158CC..THydrogen-bonded Turntrans-90.622.8-178.700000114.2C465 Q469 I470 G471C465-G467 VanDerWaalsContact C-N 3.3Å; C465-G467 PolarHBondContact SG-N 3.36Å; G467-Q469 PolarHBondContact O-N 3.36Å; G467-I470 VanDerWaalsContact O-CG2 3.29Å; G467-I470 WeakPolarHBondContact O-CG2 3.46Å; G467-I470 PolarHBondContact O-N 3.23Å; G467-G471 PolarHBondContact O-N 3.03Å
468M96.4Very high96.9Very high58 Ų5826 Ų2629%0.28615%0.152SC..Hα-helixtrans-55.9-49.5-178.1176.9175.277.300112.1F458 C465 I466 G471 L472F458-M468 HydrophobicContact CB-CB 4.32Å; F458-M468 HydrophobicContact CB-CG 4.09Å; F458-M468 HydrophobicContact CB-SD 3.98Å; F458-M468 HydrophobicContact CD1-CB 4.02Å; F458-M468 HydrophobicContact CD1-CG 3.99Å; F458-M468 HydrophobicContact CD2-CB 4.47Å; F458-M468 HydrophobicContact CD2-CG 3.59Å; F458-M468 HydrophobicContact CD2-SD 3.92Å; F458-M468 HydrophobicContact CE1-CB 4.48Å; F458-M468 HydrophobicContact CE1-CG 4.32Å; F458-M468 HydrophobicContact CE2-CG 3.97Å; F458-M468 HydrophobicContact CG-CB 4.01Å; F458-M468 HydrophobicContact CG-CG 3.6Å; F458-M468 HydrophobicContact CG-SD 4.04Å; F458-M468 HydrophobicContact CZ-CG 4.32Å; C465-M468 HydrophobicContact CB-CB 4.41Å; I466-M468 VanDerWaalsContact C-N 3.32Å; I466-M468 PolarHBondContact O-N 3.1Å; M468-G471 PolarHBondContact O-N 3.29Å; M468-L472 HydrophobicContact CG-CD1 4.16Å; M468-L472 WeakPolarHBondContact O-CB 3.12Å; M468-L472 WeakPolarHBondContact O-CG 3.43Å; M468-L472 PolarHBondContact O-N 3.17Å
469Q95.4Very high96.9Very high96 Ų9623.9 Ų23.945%0.44914%0.143SC..Hα-helixtrans-68.3-43.7-176.3-66.6-65.8-26.200112.1L147 G467 L473L147-Q469 HydrophobicContact CD1-CB 3.35Å; L147-Q469 HydrophobicContact CD1-CG 4.41Å; G467-Q469 PolarHBondContact O-N 3.36Å; Q469-L473 WeakPolarHBondContact O-CB 3.34Å; Q469-L473 PolarHBondContact O-N 3.33Å
470I95.1Very high97Very high13 Ų1323.2 Ų23.27%0.06714%0.137CC..Hα-helixtrans-67.3-38.8177.2-161.4167.2000112F142 L147 M150 M154 I200 G467 L473 Q474F142-I470 HydrophobicContact CD1-CG2 3.92Å; F142-I470 HydrophobicContact CE1-CG2 3.95Å; L147-I470 HydrophobicContact CD2-CB 3.59Å; L147-I470 HydrophobicContact CD2-CD1 3.95Å; L147-I470 HydrophobicContact CD2-CG1 3.81Å; M150-I470 HydrophobicContact CE-CD1 3.58Å; M150-I470 HydrophobicContact SD-CD1 4.14Å; M154-I470 HydrophobicContact CE-CG1 4.33Å; M154-I470 HydrophobicContact SD-CG1 4.47Å; I200-I470 HydrophobicContact CD1-CD1 3.73Å; I200-I470 HydrophobicContact CD1-CG1 4.25Å; G467-I470 VanDerWaalsContact O-CG2 3.29Å; G467-I470 WeakPolarHBondContact O-CG2 3.46Å; G467-I470 PolarHBondContact O-N 3.23Å; I470-L473 PolarHBondContact O-N 3.31Å; I470-Q474 VanDerWaalsContact O-CB 3.27Å; I470-Q474 WeakPolarHBondContact O-CB 3.29Å; I470-Q474 PolarHBondContact O-N 2.85Å
471G96.5Very high97Very high8 Ų822.8 Ų22.88%0.08213%0.132CC..Hα-helixtrans-65.6-43.4177.600000112.2G467 M468 Q474 I475G467-G471 PolarHBondContact O-N 3.03Å; M468-G471 PolarHBondContact O-N 3.29Å; G471-Q474 PolarHBondContact O-N 3.18Å; G471-I475 WeakPolarHBondContact O-CD1 3.18Å; G471-I475 VanDerWaalsContact O-CG1 3.28Å; G471-I475 WeakPolarHBondContact O-CG1 3.28Å; G471-I475 PolarHBondContact O-N 3.25Å
472L97.3Very high97Very high27 Ų2721.7 Ų21.714%0.14112%0.12CC..Hα-helixtrans-60-46.5172.9-74.9171.6000111.3V375 L379 F458 M468 Q474 I475 K476V375-L472 HydrophobicContact CG1-CD2 3.75Å; L379-L472 HydrophobicContact CD1-CD2 3.94Å; F458-L472 HydrophobicContact CE2-CD1 4.28Å; F458-L472 HydrophobicContact CE2-CD2 3.9Å; F458-L472 HydrophobicContact CE2-CG 3.98Å; F458-L472 HydrophobicContact CZ-CD2 3.94Å; F458-L472 HydrophobicContact CZ-CG 3.89Å; M468-L472 HydrophobicContact CG-CD1 4.16Å; M468-L472 WeakPolarHBondContact O-CB 3.12Å; M468-L472 WeakPolarHBondContact O-CG 3.43Å; M468-L472 PolarHBondContact O-N 3.17Å; L472-Q474 PolarHBondContact O-N 3.41Å; L472-I475 PolarHBondContact O-N 2.83Å; L472-K476 VanDerWaalsContact O-CB 3.31Å; L472-K476 WeakPolarHBondContact O-CB 3.33Å; L472-K476 WeakPolarHBondContact O-CG 3.11Å; L472-K476 PolarHBondContact O-N 3.48Å
473L96.9Very high97.1Very high12 Ų1219 Ų196%0.06310%0.103CC..Hα-helixtrans-61.3-43.3177.2-179.861.9000112.1F151 M154 Y362 V365 Q469 I470 K476 L477F151-L473 HydrophobicContact CD2-CD1 4.14Å; F151-L473 HydrophobicContact CD2-CD2 4.24Å; F151-L473 HydrophobicContact CE2-CD1 4.15Å; M154-L473 HydrophobicContact CE-CB 4.29Å; M154-L473 HydrophobicContact CE-CD2 4.09Å; M154-L473 HydrophobicContact CE-CG 3.92Å; M154-L473 HydrophobicContact SD-CD2 3.57Å; M154-L473 VanDerWaalsContact SD-CD2 3.57Å; M154-L473 HydrophobicContact SD-CG 4.06Å; Y362-L473 HydrophobicContact CD2-CD1 4.4Å; Y362-L473 HydrophobicContact CD2-CD2 4.2Å; Y362-L473 HydrophobicContact CE2-CD1 4.46Å; Y362-L473 HydrophobicContact CE2-CD2 4.06Å; V365-L473 HydrophobicContact CG1-CD1 4.2Å; Q469-L473 WeakPolarHBondContact O-CB 3.34Å; Q469-L473 PolarHBondContact O-N 3.33Å; I470-L473 PolarHBondContact O-N 3.31Å; L473-K476 PolarHBondContact O-N 3.01Å; L473-L477 HydrophobicContact CD1-CD1 4.06Å; L473-L477 HydrophobicContact CD1-CG 4.06Å; L473-L477 HydrophobicContact CG-CD1 4.05Å; L473-L477 HydrophobicContact CG-CG 4.42Å; L473-L477 WeakPolarHBondContact O-CB 3.17Å; L473-L477 WeakPolarHBondContact O-CG 3.41Å; L473-L477 PolarHBondContact O-N 3.4Å
474Q97Very high97Very high3 Ų320.4 Ų20.41%0.01411%0.11CC..Hα-helixtrans-61.4-46.2178.7174.4171.6-5.900112.4M154 Y192 N193 M196 G319 C323 I470 G471 L472 G478M154-Q474 HydrophobicContact CE-CB 3.72Å; Y192-Q474 HydrophobicContact CE1-CG 4.47Å; Y192-Q474 PolarHBondContact OH-O 2.61Å; N193-Q474 PolarHBondContact OD1-NE2 2.86Å; M196-Q474 HydrophobicContact CG-CG 3.86Å; G319-Q474 PolarHBondContact O-NE2 3.13Å; C323-Q474 HydrophobicContact CB-CG 4.19Å; C323-Q474 VanDerWaalsContact SG-CD 3.52Å; I470-Q474 VanDerWaalsContact O-CB 3.27Å; I470-Q474 WeakPolarHBondContact O-CB 3.29Å; I470-Q474 PolarHBondContact O-N 2.85Å; G471-Q474 PolarHBondContact O-N 3.18Å; L472-Q474 PolarHBondContact O-N 3.41Å; Q474-G478 PolarHBondContact O-N 2.85Å
475I98.3Very high96.9Very high6 Ų621.4 Ų21.43%0.03111%0.113CC..Hα-helixtrans-63.7-47.5175.9-66.9162.6000110.1C323 M327 V375 G471 L472 G478 L479C323-I475 HydrophobicContact CB-CG1 4.15Å; M327-I475 HydrophobicContact CG-CB 4.45Å; M327-I475 HydrophobicContact CG-CG1 4.46Å; M327-I475 HydrophobicContact CG-CG2 4.1Å; V375-I475 HydrophobicContact CG1-CG2 4.15Å; V375-I475 HydrophobicContact CG2-CG2 4Å; G471-I475 WeakPolarHBondContact O-CD1 3.18Å; G471-I475 VanDerWaalsContact O-CG1 3.28Å; G471-I475 WeakPolarHBondContact O-CG1 3.28Å; G471-I475 PolarHBondContact O-N 3.25Å; L472-I475 PolarHBondContact O-N 2.83Å; I475-G478 PolarHBondContact O-N 2.88Å; I475-L479 HydrophobicContact CG2-CD1 4.11Å; I475-L479 HydrophobicContact CG2-CG 4.48Å; I475-L479 WeakPolarHBondContact O-CG 3.41Å; I475-L479 PolarHBondContact O-N 3.19Å
476K98.4Very high96.8Very high24 Ų2419 Ų1910%0.10410%0.097CC..Hα-helixtrans-58.5-51.6179.1-75.2179-168.7-172.10111.5V365 L371 D372 V375 L472 L473 G478 L479 V480V365-K476 HydrophobicContact CG1-CB 3.95Å; V365-K476 HydrophobicContact CG1-CD 4.12Å; L371-K476 HydrophobicContact CD2-CB 3.76Å; L371-K476 HydrophobicContact CD2-CD 4.33Å; L371-K476 HydrophobicContact CD2-CG 3.85Å; L371-K476 HydrophobicContact CG-CB 4.39Å; L371-K476 HydrophobicContact CG-CG 4.01Å; D372-K476 WeakPolarHBondContact OD1-CE 3.32Å; D372-K476 IonicContact OD1-NZ 2.68Å; D372-K476 PolarHBondContact OD1-NZ 2.76Å; D372-K476 IonicContact OD2-NZ 3.82Å; D372-K476 PolarHBondContact OD2-NZ 2.95Å; V375-K476 HydrophobicContact CG2-CG 4.1Å; L472-K476 VanDerWaalsContact O-CB 3.31Å; L472-K476 WeakPolarHBondContact O-CB 3.33Å; L472-K476 WeakPolarHBondContact O-CG 3.11Å; L472-K476 PolarHBondContact O-N 3.48Å; L473-K476 PolarHBondContact O-N 3.01Å; K476-G478 VanDerWaalsContact C-N 3.29Å; K476-G478 PolarHBondContact O-N 2.9Å; K476-L479 PolarHBondContact O-N 3.09Å; K476-V480 WeakPolarHBondContact O-CB 3.4Å; K476-V480 WeakPolarHBondContact O-CG2 3.28Å; K476-V480 PolarHBondContact O-N 2.94Å
477L97.9Very high96.8Very high0 Ų021.7 Ų21.70%011%0.105CC..Hα-helixtrans-59.7-41.4177-75.2177.3000111.9F151 M154 L360 V365 L473 L479 V480 Y481F151-L477 HydrophobicContact CD2-CD1 4.31Å; F151-L477 HydrophobicContact CE2-CD1 4.08Å; F151-L477 HydrophobicContact CE2-CD2 3.84Å; F151-L477 HydrophobicContact CE2-CG 4.4Å; F151-L477 HydrophobicContact CZ-CD2 4.09Å; M154-L477 HydrophobicContact CB-CD1 3.51Å; M154-L477 HydrophobicContact CE-CD1 4.24Å; M154-L477 HydrophobicContact SD-CD1 4.49Å; L360-L477 HydrophobicContact CD2-CD2 3.71Å; V365-L477 HydrophobicContact CG2-CD2 3.88Å; L473-L477 HydrophobicContact CD1-CD1 4.06Å; L473-L477 HydrophobicContact CD1-CG 4.06Å; L473-L477 HydrophobicContact CG-CD1 4.05Å; L473-L477 HydrophobicContact CG-CG 4.42Å; L473-L477 WeakPolarHBondContact O-CB 3.17Å; L473-L477 WeakPolarHBondContact O-CG 3.41Å; L473-L477 PolarHBondContact O-N 3.4Å; L477-L479 PolarHBondContact O-N 3.06Å; L477-V480 PolarHBondContact O-N 3.4Å; L477-Y481 HydrophobicContact CD2-CE2 4.17Å; L477-Y481 WeakPolarHBondContact O-CD2 3.47Å; L477-Y481 PolarHBondContact O-N 3.16Å
478G98.1Very high96.8Very high0 Ų021.1 Ų21.10%010%0.099CC..Hα-helixtrans-59.2-48.4176.900000111.5Y192 M327 Q474 I475 K476 F482Y192-G478 VanDerWaalsContact CZ-CA 3.48Å; Y192-G478 WeakPolarHBondContact OH-CA 3.27Å; Y192-G478 PolarHBondContact OH-N 3Å; M327-G478 VanDerWaalsContact CE-CA 3.47Å; Q474-G478 PolarHBondContact O-N 2.85Å; I475-G478 PolarHBondContact O-N 2.88Å; K476-G478 VanDerWaalsContact C-N 3.29Å; K476-G478 PolarHBondContact O-N 2.9Å; G478-F482 WeakPolarHBondContact O-CB 3.4Å; G478-F482 PolarHBondContact O-N 3.36Å
479L98.6Very high96.8Very high0 Ų021.3 Ų21.30%010%0.099CC..Hα-helixtrans-65.2-40.9176.2-67.7176.3000112.6A330 L331 L371 V375 I475 K476 L477 F482 L483A330-L479 HydrophobicContact CB-CD1 3.9Å; A330-L479 HydrophobicContact CB-CD2 3.9Å; L331-L479 HydrophobicContact CD2-CD2 3.96Å; L331-L479 HydrophobicContact CG-CD2 3.85Å; L371-L479 HydrophobicContact CD1-CB 4.09Å; L371-L479 HydrophobicContact CD1-CD1 4.06Å; V375-L479 HydrophobicContact CG2-CD1 3.77Å; I475-L479 HydrophobicContact CG2-CD1 4.11Å; I475-L479 HydrophobicContact CG2-CG 4.48Å; I475-L479 WeakPolarHBondContact O-CG 3.41Å; I475-L479 PolarHBondContact O-N 3.19Å; K476-L479 PolarHBondContact O-N 3.09Å; L477-L479 PolarHBondContact O-N 3.06Å; L479-F482 PolarHBondContact O-N 2.83Å; L479-L483 VanDerWaalsContact O-CB 3.23Å; L479-L483 WeakPolarHBondContact O-CB 3.44Å; L479-L483 WeakPolarHBondContact O-CG 3.45Å; L479-L483 PolarHBondContact O-N 2.86Å
480V98.2Very high96.9Very high0 Ų021.6 Ų21.60%010%0.102CC..Hα-helixtrans-59.8-54178.4168.40000110.8I348 F352 L360 M368 L371 K476 L477 L483 H484I348-V480 HydrophobicContact CG1-CG2 4.21Å; I348-V480 HydrophobicContact CG2-CG1 3.98Å; F352-V480 HydrophobicContact CE2-CG1 3.63Å; F352-V480 HydrophobicContact CZ-CG1 4.15Å; L360-V480 HydrophobicContact CD2-CB 4.46Å; L360-V480 HydrophobicContact CD2-CG1 3.63Å; M368-V480 HydrophobicContact CE-CG2 4.12Å; M368-V480 HydrophobicContact SD-CG2 3.74Å; L371-V480 HydrophobicContact CD2-CG2 3.55Å; K476-V480 WeakPolarHBondContact O-CB 3.4Å; K476-V480 WeakPolarHBondContact O-CG2 3.28Å; K476-V480 PolarHBondContact O-N 2.94Å; L477-V480 PolarHBondContact O-N 3.4Å; V480-L483 CarbonylContact O-C 3.51Å; V480-L483 PolarHBondContact O-N 2.89Å; V480-H484 WeakPolarHBondContact O-CA 3.47Å; V480-H484 VanDerWaalsContact O-CB 3.28Å; V480-H484 WeakPolarHBondContact O-CB 3.21Å; V480-H484 PolarHBondContact O-N 3.36Å
481Y97.4Very high96.8Very high6 Ų622 Ų222%0.02411%0.106CC..Hα-helixtrans-72.4-29.6-178.2-81.6-80.6000113.1E155 G158 E162 F352 L360 L477E155-Y481 HydrophobicContact CG-CE2 4.26Å; E155-Y481 WeakPolarHBondContact CG-OH 3.36Å; E155-Y481 PolarHBondContact OE1-OH 3.35Å; G158-Y481 VanDerWaalsContact O-CB 3.29Å; G158-Y481 WeakPolarHBondContact O-CB 3.43Å; G158-Y481 VanDerWaalsContact O-CD1 3.31Å; G158-Y481 WeakPolarHBondContact O-CD1 3.06Å; G158-Y481 VanDerWaalsContact O-CG 3.32Å; E162-Y481 HydrophobicContact CB-CD1 4.31Å; F352-Y481 HydrophobicContact CE1-CE1 4.3Å; F352-Y481 HydrophobicContact CZ-CD1 4.37Å; F352-Y481 AromaticContact CZ-CE1 3.9Å; F352-Y481 HydrophobicContact CZ-CE1 3.9Å; L360-Y481 HydrophobicContact CD2-CE2 4.08Å; L477-Y481 HydrophobicContact CD2-CE2 4.17Å; L477-Y481 WeakPolarHBondContact O-CD2 3.47Å; L477-Y481 PolarHBondContact O-N 3.16Å
482F97.8Very high96.7Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-64.3-49.9170.7-157.7-60.7000110.4L161 L165 I185 V188 L331 G478 L479 H486 V488 V517L161-F482 HydrophobicContact CD1-CD2 4.47Å; L161-F482 HydrophobicContact CD2-CB 4.3Å; L161-F482 HydrophobicContact CD2-CD2 4.37Å; L165-F482 HydrophobicContact CD1-CB 4.18Å; L165-F482 HydrophobicContact CD1-CD1 3.92Å; L165-F482 HydrophobicContact CD1-CD2 3.88Å; L165-F482 HydrophobicContact CD1-CE1 4.2Å; L165-F482 HydrophobicContact CD1-CE2 4.19Å; L165-F482 HydrophobicContact CD1-CG 3.73Å; L165-F482 HydrophobicContact CD1-CZ 4.33Å; L165-F482 HydrophobicContact CD2-CD2 4.39Å; L165-F482 HydrophobicContact CD2-CE1 4.22Å; L165-F482 HydrophobicContact CD2-CE2 3.88Å; L165-F482 HydrophobicContact CD2-CZ 3.77Å; I185-F482 HydrophobicContact CD1-CE2 4.43Å; I185-F482 HydrophobicContact CD1-CZ 3.76Å; V188-F482 HydrophobicContact CB-CE2 4.46Å; V188-F482 HydrophobicContact CG1-CE2 3.88Å; L331-F482 HydrophobicContact CD1-CD1 4.37Å; L331-F482 HydrophobicContact CD1-CD2 3.72Å; L331-F482 HydrophobicContact CD1-CE1 4.37Å; L331-F482 HydrophobicContact CD1-CE2 3.69Å; L331-F482 HydrophobicContact CD1-CG 4.08Å; L331-F482 HydrophobicContact CD1-CZ 4.05Å; L331-F482 HydrophobicContact CD2-CD1 3.94Å; L331-F482 HydrophobicContact CD2-CE1 4.3Å; L331-F482 HydrophobicContact CD2-CG 4.12Å; G478-F482 WeakPolarHBondContact O-CB 3.4Å; G478-F482 PolarHBondContact O-N 3.36Å; L479-F482 PolarHBondContact O-N 2.83Å; F482-H486 WeakPolarHBondContact O-CB 3.49Å; F482-V488 HydrophobicContact CD1-CG1 4.19Å; F482-V488 HydrophobicContact CE1-CG1 3.43Å; F482-V488 VanDerWaalsContact CE1-CG1 3.43Å; F482-V488 HydrophobicContact CZ-CG1 4.14Å; F482-V517 HydrophobicContact CE1-CG1 4.22Å; F482-V517 HydrophobicContact CE1-CG2 4.1Å; F482-V517 HydrophobicContact CZ-CG2 3.96Å
483L97.9Very high96.5Very high0 Ų035 Ų350%016%0.164CC..Hα-helixtrans-93.79.9-172.6-60.1172.4000114L331 L334 Q341 L344 R345 I348 L479 V480 H486 V488L331-L483 HydrophobicContact CD2-CD1 4.23Å; L331-L483 HydrophobicContact CD2-CD2 3.92Å; L331-L483 HydrophobicContact CD2-CG 4.07Å; L334-L483 HydrophobicContact CD1-CD1 3.63Å; Q341-L483 HydrophobicContact CG-CD2 4.38Å; L344-L483 HydrophobicContact CD2-CD1 3.85Å; R345-L483 HydrophobicContact CG-CB 4.24Å; R345-L483 VanDerWaalsContact NH1-C 3.33Å; R345-L483 PolarHBondContact NH1-O 3.49Å; I348-L483 HydrophobicContact CD1-CB 3.84Å; L479-L483 VanDerWaalsContact O-CB 3.23Å; L479-L483 WeakPolarHBondContact O-CB 3.44Å; L479-L483 WeakPolarHBondContact O-CG 3.45Å; L479-L483 PolarHBondContact O-N 2.86Å; V480-L483 CarbonylContact O-C 3.51Å; V480-L483 PolarHBondContact O-N 2.89Å; L483-H486 WeakPolarHBondContact CA-O 3.33Å; L483-V488 HydrophobicContact CD2-CG2 4.25Å
484H95.6Very high96.5Very high33 Ų3335.6 Ų35.615%0.15317%0.168CC..Hα-helixtrans-71.2-60.9175.4178.9-146.7000109.6E162 R345 I348 F352 V480E162-H484 IonicContact OE2-CE1 3.44Å; E162-H484 IonicContact OE2-CG 2.68Å; E162-H484 IonicContact OE2-ND1 3.26Å; E162-H484 PolarHBondContact OE2-ND1 3.43Å; R345-H484 PolarHBondContact NH1-O 3.49Å; R345-H484 PolarHBondContact NH2-O 2.91Å; I348-H484 HydrophobicContact CG2-CB 4.13Å; F352-H484 AromaticContact CD1-CE1 3.77Å; F352-H484 AromaticContact CD2-CD2 3.42Å; F352-H484 VanDerWaalsContact CD2-CD2 3.42Å; F352-H484 WeakPolarHBondContact CD2-CD2 3.27Å; F352-H484 AromaticContact CD2-CE1 3.79Å; F352-H484 AromaticContact CD2-CG 3.81Å; F352-H484 AromaticContact CD2-NE2 3.45Å; F352-H484 WeakPolarHBondContact CD2-NE2 3.27Å; F352-H484 AromaticContact CE1-CE1 3.87Å; F352-H484 HydrophobicContact CE2-CB 3.95Å; F352-H484 AromaticContact CE2-CD2 3.65Å; F352-H484 AromaticContact CE2-CE1 3.89Å; F352-H484 AromaticContact CE2-CG 3.52Å; F352-H484 AromaticContact CE2-ND1 3.7Å; F352-H484 AromaticContact CE2-NE2 3.92Å; F352-H484 AromaticContact CG-CE1 3.74Å; F352-H484 AromaticContact CG-NE2 3.52Å; F352-H484 HydrophobicContact CZ-CB 4.47Å; F352-H484 AromaticContact CZ-CE1 3.94Å; F352-H484 AromaticContact CZ-CG 3.99Å; F352-H484 AromaticContact CZ-ND1 3.71Å; V480-H484 WeakPolarHBondContact O-CA 3.47Å; V480-H484 VanDerWaalsContact O-CB 3.28Å; V480-H484 WeakPolarHBondContact O-CB 3.21Å; V480-H484 PolarHBondContact O-N 3.36Å
485Q93.4Very high96.4Very high66 Ų6636.4 Ų36.431%0.30817%0.173SC..Hα-helixtrans-107.30-177.1-57.7-167.3-1.400114.3L520Q485-L520 PolarHBondContact O-N 2.89Å
486H95.3Very high96.2Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-127.9144.4179.6-50.281.7000113L165 K166 R345 F482 L483 V517 D518L165-H486 WeakPolarHBondContact CB-CE1 3.37Å; K166-H486 PolarHBondContact N-NE2 3.25Å; R345-H486 PolarHBondContact NH1-O 3Å; F482-H486 WeakPolarHBondContact O-CB 3.49Å; L483-H486 WeakPolarHBondContact CA-O 3.33Å; H486-V517 HydrophobicContact CB-CG1 3.92Å; H486-D518 CarbonylContact C-O 3.4Å; H486-D518 WeakPolarHBondContact CA-O 3.44Å; H486-D518 WeakPolarHBondContact CB-O 3.38Å
487R95.4Very high95.9Very high90 Ų9051 Ų5134%0.3424%0.235SC..EExtended strand (participates in β ladder)trans-107.1154.8167.459.8173.5-175.5177.220.2110Q341 E489 V517 D518 L520Q341-R487 VanDerWaalsContact OE1-CA 3.27Å; R487-E489 IonicContact CZ-OE1 2.84Å; R487-E489 IonicContact NE-OE1 3.34Å; R487-E489 PolarHBondContact NE-OE1 3.41Å; R487-E489 VanDerWaalsContact NE-OE1 3.16Å; R487-E489 IonicContact NH1-OE1 3.29Å; R487-E489 PolarHBondContact NH1-OE1 3.26Å; R487-E489 IonicContact NH2-OE1 2.8Å; R487-E489 PolarHBondContact NH2-OE1 3.48Å; R487-E489 IonicContact NH2-OE2 3.8Å; R487-V517 WeakPolarHBondContact O-CA 3.45Å; R487-D518 HydrophobicContact CG-CB 3.74Å; R487-D518 IonicContact CZ-OD2 3.31Å; R487-D518 VanDerWaalsContact CZ-OD2 3.31Å; R487-D518 PolarHBondContact N-O 3.22Å; R487-D518 IonicContact NE-OD2 3.86Å; R487-D518 PolarHBondContact NE-OD2 2.89Å; R487-D518 IonicContact NH2-OD2 2.82Å; R487-D518 PolarHBondContact NH2-OD2 2.86Å; R487-D518 PolarHBondContact O-N 2.84Å; R487-L520 HydrophobicContact CB-CD1 4.13Å; R487-L520 HydrophobicContact CG-CD1 4.19Å; R487-L520 HydrophobicContact CG-CD2 4.13Å; R487-L520 HydrophobicContact CG-CG 4.18Å
488V97Very high95.8Very high2 Ų251.6 Ų51.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-111.3134.9172-67.50000110I185 L331 A335 Q341 F482 L483 L515 K516 V517I185-V488 HydrophobicContact CD1-CG1 4.45Å; L331-V488 HydrophobicContact CD2-CG1 4.25Å; L331-V488 HydrophobicContact CD2-CG2 4.17Å; A335-V488 HydrophobicContact CB-CB 4.21Å; A335-V488 HydrophobicContact CB-CG2 3.91Å; Q341-V488 PolarHBondContact NE2-O 2.65Å; Q341-V488 VanDerWaalsContact OE1-N 3.1Å; F482-V488 HydrophobicContact CD1-CG1 4.19Å; F482-V488 HydrophobicContact CE1-CG1 3.43Å; F482-V488 VanDerWaalsContact CE1-CG1 3.43Å; F482-V488 HydrophobicContact CZ-CG1 4.14Å; L483-V488 HydrophobicContact CD2-CG2 4.25Å; V488-L515 HydrophobicContact CB-CD1 4.14Å; V488-L515 HydrophobicContact CG2-CD1 4.4Å; V488-K516 CarbonylContact C-O 3.48Å; V488-K516 WeakPolarHBondContact CA-O 3.32Å; V488-V517 HydrophobicContact CG1-CG2 4.21Å
489E96.3Very high95.6Very high62 Ų6257.5 Ų57.529%0.2927%0.265SS..EExtended strand (participates in β ladder)trans-127.1154.5178.3-61.9-174.2163.400109.7R487 K516R487-E489 IonicContact CZ-OE1 2.84Å; R487-E489 IonicContact NE-OE1 3.34Å; R487-E489 PolarHBondContact NE-OE1 3.41Å; R487-E489 VanDerWaalsContact NE-OE1 3.16Å; R487-E489 IonicContact NH1-OE1 3.29Å; R487-E489 PolarHBondContact NH1-OE1 3.26Å; R487-E489 IonicContact NH2-OE1 2.8Å; R487-E489 PolarHBondContact NH2-OE1 3.48Å; R487-E489 IonicContact NH2-OE2 3.8Å; E489-K516 HydrophobicContact CB-CB 4.34Å; E489-K516 PolarHBondContact N-O 3.35Å; E489-K516 PolarHBondContact O-N 3.44Å
490I96Very high95.3Very high101 Ų10159 Ų5952%0.51827%0.272SS..  trans-66.9150168.563.6176.2000109.9A335 K336 T494A335-I490 HydrophobicContact CB-CG2 4.28Å; K336-I490 HydrophobicContact CG-CG2 4Å; I490-T494 HydrophobicContact CB-CG2 4.29Å; I490-T494 HydrophobicContact CG2-CG2 4.09Å
491C93.9Very high94.9Very high21 Ų2160.9 Ų60.914%0.14228%0.282CS..  trans-134.7176.2171.966.60000110.1I182 R493 T494 K516I182-C491 HydrophobicContact CD1-CB 4.12Å; I182-C491 HydrophobicContact CG1-CB 4.24Å; C491-R493 PolarHBondContact O-N 3.4Å; C491-T494 PolarHBondContact N-OG1 2.72Å; C491-T494 VanDerWaalsContact O-CB 3.27Å; C491-T494 WeakPolarHBondContact O-CB 3.13Å; C491-T494 PolarHBondContact O-N 2.86Å; C491-T494 PolarHBondContact O-OG1 3.46Å; C491-K516 HydrophobicContact CB-CB 4.23Å
492D93.6Very high94.3Very high176 Ų17661.6 Ų61.694%0.94129%0.289SS*.THydrogen-bonded Turntrans-60.3-18-178.2-59-20.5000114
493R94.4Very high93.3Very high134 Ų13467.9 Ų67.951%0.50632%0.316SS..THydrogen-bonded Turntrans-94.6-5.9176.5-62.817864.7-173.57113.4C491 V495 Y514C491-R493 PolarHBondContact O-N 3.4Å; R493-V495 PolarHBondContact O-N 3.28Å; R493-Y514 HydrophobicContact CB-CD2 4.29Å; R493-Y514 HydrophobicContact CB-CG 4.13Å; R493-Y514 VanDerWaalsContact NH2-CE1 3.29Å; R493-Y514 PolarHBondContact NH2-OH 3.32Å
494T96.3Very high92.3Very high24 Ų2470 Ų7015%0.14733%0.326CS..SBendtrans-71.7125.7179.4-57.30000109.8Y332 I490 C491 E496 Y514 L515Y332-T494 HydrophobicContact CD2-CG2 4.32Å; Y332-T494 HydrophobicContact CE2-CG2 3.98Å; I490-T494 HydrophobicContact CB-CG2 4.29Å; I490-T494 HydrophobicContact CG2-CG2 4.09Å; C491-T494 PolarHBondContact N-OG1 2.72Å; C491-T494 VanDerWaalsContact O-CB 3.27Å; C491-T494 WeakPolarHBondContact O-CB 3.13Å; C491-T494 PolarHBondContact O-N 2.86Å; C491-T494 PolarHBondContact O-OG1 3.46Å; T494-E496 PolarHBondContact O-N 3.39Å; T494-Y514 WeakPolarHBondContact CA-O 3.49Å; T494-Y514 WeakPolarHBondContact CB-O 3.29Å; T494-Y514 PolarHBondContact OG1-O 2.86Å; T494-L515 HydrophobicContact CG2-CD2 3.71Å
495V95.2Very high91.6Very high19 Ų1971.5 Ų71.512%0.11534%0.343CS..  trans-67.6130.9176.7-60.50000111Y332 R493 R497 I498 Q511Y332-V495 HydrophobicContact CE2-CG2 4.02Å; Y332-V495 WeakPolarHBondContact CE2-O 3.39Å; Y332-V495 PolarHBondContact OH-O 2.93Å; R493-V495 PolarHBondContact O-N 3.28Å; V495-R497 VanDerWaalsContact C-N 3.33Å; V495-R497 PolarHBondContact O-N 2.72Å; V495-I498 HydrophobicContact CG2-CD1 3.71Å; V495-Q511 HydrophobicContact CG1-CB 4.06Å
496E93Very high91.4Very high176 Ų17670.3 Ų70.382%0.82234%0.339SS*.SBendtrans-63.3-39.9-177-173.1-175176.400112.5Y332 K336 T494Y332-E496 PolarHBondContact OH-O 3.32Å; K336-E496 PolarHBondContact NZ-O 2.9Å; T494-E496 PolarHBondContact O-N 3.39Å
497R93.9Very high91.2Very high162 Ų16270.6 Ų70.661%0.61134%0.34SS*.SBendtrans-137.9131.7176.2-173.9179.5-174.316311109.8Y332 D435 V495 Q499Y332-R497 PolarHBondContact OH-N 3.47Å; D435-R497 IonicContact OD1-NH2 3.15Å; D435-R497 IonicContact OD2-NH2 3.73Å; D435-R497 PolarHBondContact OD2-NH2 3.48Å; V495-R497 VanDerWaalsContact C-N 3.33Å; V495-R497 PolarHBondContact O-N 2.72Å; R497-Q499 PolarHBondContact O-N 2.97Å
498I94.8Very high91Very high12 Ų1266.9 Ų66.96%0.06233%0.329CS..PPolyproline II helixtrans-61.8122.4172-59.8-61.6000109.8F329 Y332 Y382 V495 F500 I513F329-I498 HydrophobicContact CD1-CD1 4.47Å; F329-I498 HydrophobicContact CD1-CG1 4.25Å; F329-I498 HydrophobicContact CE1-CB 4.49Å; F329-I498 HydrophobicContact CE1-CD1 4.21Å; F329-I498 HydrophobicContact CE1-CG1 4.08Å; F329-I498 HydrophobicContact CE1-CG2 3.71Å; F329-I498 HydrophobicContact CZ-CG2 4.35Å; Y332-I498 HydrophobicContact CD1-CD1 4.15Å; Y332-I498 HydrophobicContact CD1-CG1 3.9Å; Y332-I498 HydrophobicContact CD2-CD1 4.18Å; Y332-I498 HydrophobicContact CE1-CD1 4.03Å; Y332-I498 HydrophobicContact CE1-CG1 3.58Å; Y332-I498 HydrophobicContact CE2-CD1 4.03Å; Y332-I498 HydrophobicContact CE2-CG1 4.45Å; Y332-I498 HydrophobicContact CG-CD1 4.22Å; Y332-I498 HydrophobicContact CG-CG1 4.47Å; Y382-I498 HydrophobicContact CE1-CB 4.42Å; Y382-I498 HydrophobicContact CE1-CG1 4.43Å; V495-I498 HydrophobicContact CG2-CD1 3.71Å; I498-F500 HydrophobicContact CG2-CD1 3.86Å; I498-F500 HydrophobicContact CG2-CE1 3.7Å; I498-I513 HydrophobicContact CD1-CD1 3.66Å; I498-I513 HydrophobicContact CD1-CG1 3.83Å
499Q93.5Very high90.8Very high123 Ų12367.9 Ų67.958%0.57534%0.336SS*.PPolyproline II helixtrans-97.9136.1162.2-60.6-171.116.700108.3R497 S509 E510R497-Q499 PolarHBondContact O-N 2.97Å; Q499-S509 WeakPolarHBondContact O-CA 3.28Å; Q499-E510 PolarHBondContact O-N 3.44Å
500F93.6Very high90.5Very high32 Ų3269.7 Ų69.714%0.1435%0.345CS..BIsolated β-bridgetrans-87.8137.7-176-62.6-55.3000111.3L58 F329 Y382 L422 I498 A502 L507 A508L58-F500 HydrophobicContact CD1-CB 4.11Å; L58-F500 HydrophobicContact CD2-CB 4.15Å; L58-F500 HydrophobicContact CD2-CD2 3.96Å; L58-F500 HydrophobicContact CD2-CG 4.49Å; F329-F500 HydrophobicContact CZ-CE1 4.31Å; Y382-F500 AromaticContact CD1-CE1 3.72Å; Y382-F500 HydrophobicContact CD1-CE1 3.72Å; Y382-F500 AromaticContact CD1-CZ 3.75Å; Y382-F500 HydrophobicContact CD1-CZ 3.75Å; Y382-F500 AromaticContact CE1-CE1 3.98Å; Y382-F500 HydrophobicContact CE1-CE1 3.98Å; Y382-F500 AromaticContact CE1-CZ 3.89Å; Y382-F500 HydrophobicContact CE1-CZ 3.89Å; L422-F500 HydrophobicContact CD1-CE2 4.47Å; I498-F500 HydrophobicContact CG2-CD1 3.86Å; I498-F500 HydrophobicContact CG2-CE1 3.7Å; F500-A502 PolarHBondContact O-N 3.45Å; F500-L507 HydrophobicContact CB-CD1 4.03Å; F500-L507 HydrophobicContact CD1-CD1 3.54Å; F500-L507 HydrophobicContact CD1-CD2 4.15Å; F500-L507 HydrophobicContact CD1-CG 3.57Å; F500-L507 HydrophobicContact CD2-CD1 3.81Å; F500-L507 HydrophobicContact CE1-CD1 3.87Å; F500-L507 HydrophobicContact CE1-CD2 3.64Å; F500-L507 HydrophobicContact CE1-CG 3.59Å; F500-L507 HydrophobicContact CE2-CD1 4.1Å; F500-L507 HydrophobicContact CE2-CD2 4.43Å; F500-L507 HydrophobicContact CG-CD1 3.51Å; F500-L507 HydrophobicContact CG-CG 4.11Å; F500-L507 HydrophobicContact CZ-CD1 4.13Å; F500-L507 HydrophobicContact CZ-CD2 3.78Å; F500-L507 HydrophobicContact CZ-CG 4.12Å; F500-A508 CarbonylContact C-O 3.54Å; F500-A508 VanDerWaalsContact CA-O 3.28Å; F500-A508 WeakPolarHBondContact CA-O 3.39Å
501D88.4Confident90.3Very high40 Ų4070 Ų7021%0.21434%0.344CS..PPolyproline II helixtrans-61.3124.5-179.5-166.4-33.1000111.1K503 F504 A508 E510D501-K503 PolarHBondContact O-N 3.29Å; D501-K503 WeakPolarHBondContact OD1-CA 3.29Å; D501-K503 VanDerWaalsContact OD1-CB 3.3Å; D501-K503 WeakPolarHBondContact OD1-CB 3.32Å; D501-K503 PolarHBondContact OD1-N 2.89Å; D501-F504 HydrophobicContact CB-CB 4.2Å; D501-A508 PolarHBondContact N-O 2.97Å; D501-E510 HydrophobicContact CB-CB 4.46Å
502A84.4Confident90.3Very high20 Ų2076.5 Ų76.517%0.16537%0.365CS..SBendtrans-70.9-17178.300000113.8E54 S55 F500E54-A502 CarbonylContact C-O 3.57Å; S55-A502 WeakPolarHBondContact CA-O 3.47Å; S55-A502 WeakPolarHBondContact CB-O 3.39Å; S55-A502 PolarHBondContact N-O 2.73Å; F500-A502 PolarHBondContact O-N 3.45Å
503K78.6Confident90.4Very high133 Ų13368.4 Ų68.458%0.57832%0.322SS*.SBendtrans-101.7-20.5-171.1-57.6164.6-170.1164.30112.6L52 D501L52-K503 HydrophobicContact CB-CG 4.36Å; D501-K503 PolarHBondContact O-N 3.29Å; D501-K503 WeakPolarHBondContact OD1-CA 3.29Å; D501-K503 VanDerWaalsContact OD1-CB 3.3Å; D501-K503 WeakPolarHBondContact OD1-CB 3.32Å; D501-K503 PolarHBondContact OD1-N 2.89Å
504F76.7Confident90.5Very high45 Ų4563.9 Ų63.920%0.19731%0.305CS..  trans-91.7141.8-174.5-149.8-130.1000112F224 E321 D501 L506 A508F224-F504 HydrophobicContact CB-CZ 4.48Å; F224-F504 HydrophobicContact CD1-CE2 4.47Å; F224-F504 AromaticContact CD1-CZ 3.97Å; F224-F504 HydrophobicContact CD1-CZ 3.97Å; E321-F504 HydrophobicContact CG-CE1 3.92Å; E321-F504 HydrophobicContact CG-CZ 4.1Å; D501-F504 HydrophobicContact CB-CB 4.2Å; F504-L506 HydrophobicContact CD1-CB 3.81Å; F504-L506 WeakPolarHBondContact CD1-O 3.28Å; F504-L506 HydrophobicContact CE1-CB 3.77Å; F504-L506 HydrophobicContact CE1-CD1 4.22Å; F504-L506 HydrophobicContact CE1-CG 4.32Å; F504-A508 HydrophobicContact CD1-CB 3.7Å; F504-A508 HydrophobicContact CE1-CB 4.34Å; F504-A508 HydrophobicContact CG-CB 4.46Å
505A80.2Confident90.5Very high64 Ų6462.7 Ų62.753%0.52930%0.298SS..SBendtrans-77.4-33.4-179.800000112.2
506L89.2Confident90.5Very high40 Ų4063.2 Ų63.221%0.20930%0.299CS..SBendtrans-84.6157.9169.8-59.4177000109.6E321 T322 I384 V385 F504 A508E321-L506 HydrophobicContact CB-CD1 4.3Å; E321-L506 HydrophobicContact CG-CD1 3.77Å; T322-L506 HydrophobicContact CG2-CD1 4.28Å; I384-L506 HydrophobicContact CG2-CB 4.15Å; I384-L506 WeakPolarHBondContact O-CA 3.43Å; I384-L506 WeakPolarHBondContact O-CB 3.39Å; V385-L506 HydrophobicContact CG2-CD2 4.1Å; F504-L506 HydrophobicContact CD1-CB 3.81Å; F504-L506 WeakPolarHBondContact CD1-O 3.28Å; F504-L506 HydrophobicContact CE1-CB 3.77Å; F504-L506 HydrophobicContact CE1-CD1 4.22Å; F504-L506 HydrophobicContact CE1-CG 4.32Å; L506-A508 PolarHBondContact O-N 3.31Å
507L91.9Very high90.6Very high6 Ų654.9 Ų54.93%0.03126%0.26CS..  trans-72.9110.2174.6-16172.6000109.2I384 P386 L422 F500I384-L507 PolarHBondContact O-N 3.22Å; P386-L507 HydrophobicContact CB-CD1 4.41Å; L422-L507 HydrophobicContact CD1-CD1 4.33Å; L422-L507 HydrophobicContact CD1-CD2 4.06Å; L422-L507 HydrophobicContact CD2-CD1 4.05Å; F500-L507 HydrophobicContact CB-CD1 4.03Å; F500-L507 HydrophobicContact CD1-CD1 3.54Å; F500-L507 HydrophobicContact CD1-CD2 4.15Å; F500-L507 HydrophobicContact CD1-CG 3.57Å; F500-L507 HydrophobicContact CD2-CD1 3.81Å; F500-L507 HydrophobicContact CE1-CD1 3.87Å; F500-L507 HydrophobicContact CE1-CD2 3.64Å; F500-L507 HydrophobicContact CE1-CG 3.59Å; F500-L507 HydrophobicContact CE2-CD1 4.1Å; F500-L507 HydrophobicContact CE2-CD2 4.43Å; F500-L507 HydrophobicContact CG-CD1 3.51Å; F500-L507 HydrophobicContact CG-CG 4.11Å; F500-L507 HydrophobicContact CZ-CD1 4.13Å; F500-L507 HydrophobicContact CZ-CD2 3.78Å; F500-L507 HydrophobicContact CZ-CG 4.12Å
508A90.2Very high90.4Very high12 Ų1247.3 Ų47.310%0.09923%0.231CC..  trans-130156.117600000110.1F500 D501 F504 L506F500-A508 CarbonylContact C-O 3.54Å; F500-A508 VanDerWaalsContact CA-O 3.28Å; F500-A508 WeakPolarHBondContact CA-O 3.39Å; D501-A508 PolarHBondContact N-O 2.97Å; F504-A508 HydrophobicContact CD1-CB 3.7Å; F504-A508 HydrophobicContact CE1-CB 4.34Å; F504-A508 HydrophobicContact CG-CB 4.46Å; L506-A508 PolarHBondContact O-N 3.31Å
509S92.5Very high90.1Very high23 Ų2348.3 Ų48.316%0.16124%0.239CC..BIsolated β-bridgetrans-72.5133.5171-176.30000109.5Q499 Q511Q499-S509 WeakPolarHBondContact O-CA 3.28Å; S509-Q511 VanDerWaalsContact C-N 3.28Å; S509-Q511 VanDerWaalsContact CB-O 3.27Å; S509-Q511 WeakPolarHBondContact CB-O 3.26Å; S509-Q511 PolarHBondContact O-N 2.91Å; S509-Q511 PolarHBondContact OG-O 3.34Å
510E90.9Very high89.7Confident101 Ų10148.8 Ų48.847%0.47225%0.245SC..SBendtrans-62.5-40174.6179.2176.8-161.500111.3Q499 D501Q499-E510 PolarHBondContact O-N 3.44Å; D501-E510 HydrophobicContact CB-CB 4.46Å
511Q91.6Very high89.5Confident107 Ų10749.7 Ų49.750%0.525%0.25SS..SBendtrans-100.6147.9178.1-62.2-178.82.200110.2V495 S509 I513V495-Q511 HydrophobicContact CG1-CB 4.06Å; S509-Q511 VanDerWaalsContact C-N 3.28Å; S509-Q511 VanDerWaalsContact CB-O 3.27Å; S509-Q511 WeakPolarHBondContact CB-O 3.26Å; S509-Q511 PolarHBondContact O-N 2.91Å; S509-Q511 PolarHBondContact OG-O 3.34Å; Q511-I513 PolarHBondContact O-N 3.02Å
512R92.9Very high89.6Confident158 Ų15850.2 Ų50.260%0.59625%0.252SS*.  trans-60.9135.6171.1-73.3-178.4173.5159.2-4.3110Y514R512-Y514 HydrophobicContact CB-CD2 4.23Å; R512-Y514 HydrophobicContact CB-CE2 3.57Å; R512-Y514 WeakPolarHBondContact CD-OH 3.4Å; R512-Y514 PolarHBondContact O-N 3Å
513I96Very high89.9Confident5 Ų551.8 Ų51.83%0.02626%0.257CS..  trans-87.6105.1178.5-57.1174.3000108.3I185 F329 Y332 I498 Q511 L515I185-I513 PolarHBondContact N-O 3.48Å; F329-I513 HydrophobicContact CD1-CD1 4.01Å; F329-I513 HydrophobicContact CE1-CD1 3.98Å; Y332-I513 HydrophobicContact CD2-CG2 3.8Å; Y332-I513 HydrophobicContact CG-CG2 4.34Å; I498-I513 HydrophobicContact CD1-CD1 3.66Å; I498-I513 HydrophobicContact CD1-CG1 3.83Å; Q511-I513 PolarHBondContact O-N 3.02Å; I513-L515 HydrophobicContact CG2-CG 4.31Å
514Y97.1Very high90.6Very high39 Ų3947.1 Ų47.115%0.15324%0.238CC..EExtended strand (participates in β ladder)trans-93.9129.2173.3-68.7-79.6000110.6I182 V183 R493 T494 R512I182-Y514 HydrophobicContact CG2-CD1 4.34Å; V183-Y514 WeakPolarHBondContact O-CA 3.48Å; R493-Y514 HydrophobicContact CB-CD2 4.29Å; R493-Y514 HydrophobicContact CB-CG 4.13Å; R493-Y514 VanDerWaalsContact NH2-CE1 3.29Å; R493-Y514 PolarHBondContact NH2-OH 3.32Å; T494-Y514 WeakPolarHBondContact CA-O 3.49Å; T494-Y514 WeakPolarHBondContact CB-O 3.29Å; T494-Y514 PolarHBondContact OG1-O 2.86Å; R512-Y514 HydrophobicContact CB-CD2 4.23Å; R512-Y514 HydrophobicContact CB-CE2 3.57Å; R512-Y514 WeakPolarHBondContact CD-OH 3.4Å; R512-Y514 PolarHBondContact O-N 3Å
515L96.6Very high91.4Very high0 Ų047.2 Ų47.20%024%0.24CC..EExtended strand (participates in β ladder)trans-132.2157.9170.8-58.5176.6000109.3I182 V183 I185 L331 A335 V488 T494 I513I182-L515 WeakPolarHBondContact CA-O 3.26Å; V183-L515 PolarHBondContact N-O 3.2Å; V183-L515 PolarHBondContact O-N 3.41Å; I185-L515 HydrophobicContact CD1-CB 3.97Å; I185-L515 HydrophobicContact CD1-CD1 4.16Å; I185-L515 HydrophobicContact CD1-CG 4.39Å; I185-L515 HydrophobicContact CG1-CB 3.69Å; I185-L515 HydrophobicContact CG1-CD1 3.65Å; I185-L515 HydrophobicContact CG1-CG 3.69Å; L331-L515 HydrophobicContact CB-CD1 4.23Å; L331-L515 WeakPolarHBondContact O-CD1 3.49Å; A335-L515 HydrophobicContact CB-CD1 3.84Å; A335-L515 HydrophobicContact CB-CD2 3.7Å; A335-L515 HydrophobicContact CB-CG 4.35Å; V488-L515 HydrophobicContact CB-CD1 4.14Å; V488-L515 HydrophobicContact CG2-CD1 4.4Å; T494-L515 HydrophobicContact CG2-CD2 3.71Å; I513-L515 HydrophobicContact CG2-CG 4.31Å
516K94.7Very high92.2Very high30 Ų3046.1 Ų46.113%0.1322%0.221CC..EExtended strand (participates in β ladder)trans-87.4124.7170.2-178.4173-178.4166.10109.2E178 R179 A181 I182 V488 E489 C491E178-K516 IonicContact OE2-NZ 2.78Å; E178-K516 PolarHBondContact OE2-NZ 3.03Å; R179-K516 WeakPolarHBondContact O-CE 3.3Å; R179-K516 PolarHBondContact O-NZ 3.5Å; A181-K516 CarbonylContact O-C 3.6Å; A181-K516 WeakPolarHBondContact O-CA 3.3Å; I182-K516 HydrophobicContact CG1-CB 4.49Å; V488-K516 CarbonylContact C-O 3.48Å; V488-K516 WeakPolarHBondContact CA-O 3.32Å; E489-K516 HydrophobicContact CB-CB 4.34Å; E489-K516 PolarHBondContact N-O 3.35Å; E489-K516 PolarHBondContact O-N 3.44Å; C491-K516 HydrophobicContact CB-CB 4.23Å
517V95Very high92.4Very high0 Ų046.5 Ų46.50%022%0.222CC..EExtended strand (participates in β ladder)trans-104.7121.1176.6-178.60000108.9L165 T169 G180 A181 V183 I185 F482 H486 R487 V488L165-V517 HydrophobicContact CD2-CG1 4.36Å; T169-V517 HydrophobicContact CG2-CB 4.34Å; T169-V517 HydrophobicContact CG2-CG1 3.92Å; T169-V517 WeakPolarHBondContact CG2-O 3.31Å; G180-V517 CarbonylContact C-O 3.54Å; G180-V517 WeakPolarHBondContact CA-O 3.42Å; A181-V517 PolarHBondContact N-O 3.44Å; A181-V517 PolarHBondContact O-N 3.2Å; V183-V517 HydrophobicContact CG2-CG2 3.54Å; I185-V517 HydrophobicContact CD1-CG2 3.98Å; F482-V517 HydrophobicContact CE1-CG1 4.22Å; F482-V517 HydrophobicContact CE1-CG2 4.1Å; F482-V517 HydrophobicContact CZ-CG2 3.96Å; H486-V517 HydrophobicContact CB-CG1 3.92Å; R487-V517 WeakPolarHBondContact O-CA 3.45Å; V488-V517 HydrophobicContact CG1-CG2 4.21Å
518D90.8Very high92.4Very high4 Ų449.6 Ų49.62%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-111130.3176.1-62.2-18000110.4G180 H486 R487G180-D518 WeakPolarHBondContact CA-OD1 3.47Å; H486-D518 CarbonylContact C-O 3.4Å; H486-D518 WeakPolarHBondContact CA-O 3.44Å; H486-D518 WeakPolarHBondContact CB-O 3.38Å; R487-D518 HydrophobicContact CG-CB 3.74Å; R487-D518 IonicContact CZ-OD2 3.31Å; R487-D518 VanDerWaalsContact CZ-OD2 3.31Å; R487-D518 PolarHBondContact N-O 3.22Å; R487-D518 IonicContact NE-OD2 3.86Å; R487-D518 PolarHBondContact NE-OD2 2.89Å; R487-D518 IonicContact NH2-OD2 2.82Å; R487-D518 PolarHBondContact NH2-OD2 2.86Å; R487-D518 PolarHBondContact O-N 2.84Å
519C87.6Confident92.6Very high33 Ų3352.8 Ų52.822%0.22325%0.248CC..EExtended strand (participates in β ladder)trans-80.1128.8165.1-175.60000109.6T169 R173T169-C519 HydrophobicContact CG2-CB 4.3Å; T169-C519 WeakPolarHBondContact OG1-CB 3.3Å; R173-C519 PolarHBondContact NH2-O 3.33Å
520L85.8Confident92.6Very high133 Ų13355.5 Ų55.570%0.69626%0.256SS*.  trans-950-172.4-72.4168.1000114.2Q485 R487Q485-L520 PolarHBondContact O-N 2.89Å; R487-L520 HydrophobicContact CB-CD1 4.13Å; R487-L520 HydrophobicContact CG-CD1 4.19Å; R487-L520 HydrophobicContact CG-CD2 4.13Å; R487-L520 HydrophobicContact CG-CG 4.18Å

Retrieved 520 of 520 residues in 114.9 ms (Link to these results)

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