A0A3Q0KP77_SCHMA Loading...

Sodium/hydrogen exchanger

AlphaFold DB , UniProt , Accession A0A3Q0KP77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 821 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
1M34.1Very low45.2Very low184 Ų184128.3 Ų128.391%0.90662%0.619SS**  0-55.40-148.4-178.2-177.900112.6S3 F4 L5M1-S3 PolarHBondContact O-N 3.47Å; M1-F4 WeakPolarHBondContact O-CB 3.39Å; M1-F4 PolarHBondContact O-N 3.04Å; M1-L5 PolarHBondContact O-N 3.48Å
2F33.2Very low46.1Very low158 Ų158119.9 Ų119.969%0.69358%0.578SS**Hα-helixtrans-57.7-41178.4-136.8-92.1000114F4 L5 C6F2-F4 VanDerWaalsContact C-N 3.27Å; F2-F4 PolarHBondContact O-N 3.03Å; F2-L5 PolarHBondContact O-N 3.31Å; F2-C6 PolarHBondContact O-N 3.37Å
3S37Very low47.2Very low94 Ų94121.5 Ų121.566%0.65758%0.581SS**Hα-helixtrans-64.5-29.8174.1-168.50000113.2M1 H7M1-S3 PolarHBondContact O-N 3.47Å; S3-H7 WeakPolarHBondContact O-CB 3.3Å; S3-H7 PolarHBondContact O-N 3.21Å
4F40.3Very low48.1Very low163 Ų163121.2 Ų121.272%0.71558%0.578SS**Hα-helixtrans-77.4-40.1-179.7-148.8-89.1000110.7M1 F2 H7 Y8M1-F4 WeakPolarHBondContact O-CB 3.39Å; M1-F4 PolarHBondContact O-N 3.04Å; F2-F4 VanDerWaalsContact C-N 3.27Å; F2-F4 PolarHBondContact O-N 3.03Å; F4-H7 PolarHBondContact O-N 2.97Å; F4-Y8 PolarHBondContact O-N 3.03Å
5L39.8Very low49.4Very low112 Ų112117.3 Ų117.359%0.58656%0.561SS**Hα-helixtrans-63.5-43170.6-93.8144000112.2M1 F2 Y8 H9M1-L5 PolarHBondContact O-N 3.48Å; F2-L5 PolarHBondContact O-N 3.31Å; L5-Y8 PolarHBondContact O-N 3.1Å; L5-H9 WeakPolarHBondContact O-CB 3.31Å; L5-H9 PolarHBondContact O-N 3.47Å
6C45.5Very low50Low70 Ų70112.9 Ų112.947%0.47354%0.542SS..Hα-helixtrans-62.5-43.5173.2-92.70000111.9F2 Y8 H9 Q10F2-C6 PolarHBondContact O-N 3.37Å; C6-Y8 VanDerWaalsContact C-N 3.33Å; C6-Y8 PolarHBondContact O-N 2.94Å; C6-H9 PolarHBondContact O-N 2.78Å; C6-Q10 VanDerWaalsContact O-CB 3.24Å; C6-Q10 WeakPolarHBondContact O-CB 3.36Å; C6-Q10 PolarHBondContact O-N 3.37Å
7H49.2Very low50.8Low139 Ų139113.3 Ų113.364%0.64454%0.54SS*.Hα-helixtrans-62.4-40176.5-11530.3000112.2S3 F4 Q10 F11S3-H7 WeakPolarHBondContact O-CB 3.3Å; S3-H7 PolarHBondContact O-N 3.21Å; F4-H7 PolarHBondContact O-N 2.97Å; H7-Q10 PolarHBondContact O-N 3.44Å; H7-F11 WeakPolarHBondContact O-CB 3.36Å; H7-F11 PolarHBondContact O-N 3.31Å
8Y51.2Low51.7Low153 Ų153111.5 Ų111.560%0.653%0.534SS*.Hα-helixtrans-66.5-42.9176.5-136.4-92.9000111.9F4 L5 C6 Q10 F11 F12F4-Y8 PolarHBondContact O-N 3.03Å; L5-Y8 PolarHBondContact O-N 3.1Å; C6-Y8 VanDerWaalsContact C-N 3.33Å; C6-Y8 PolarHBondContact O-N 2.94Å; Y8-Q10 VanDerWaalsContact C-N 3.34Å; Y8-Q10 PolarHBondContact O-N 3.33Å; Y8-F11 PolarHBondContact O-N 3.21Å; Y8-F12 WeakPolarHBondContact O-CB 3.41Å; Y8-F12 PolarHBondContact O-N 3.5Å
9H53.5Low52.6Low84 Ų84111.9 Ų111.939%0.38953%0.531SS..Hα-helixtrans-65.3-39.5178.3-163.614.3000111.8L5 C6 K13 Y82L5-H9 WeakPolarHBondContact O-CB 3.31Å; L5-H9 PolarHBondContact O-N 3.47Å; C6-H9 PolarHBondContact O-N 2.78Å; H9-K13 WeakPolarHBondContact O-CB 3.48Å; H9-K13 PolarHBondContact O-N 2.99Å; H9-Y82 AromaticContact CE1-CD1 3.88Å; H9-Y82 AromaticContact ND1-CD1 3.66Å
10Q55.5Low53.2Low119 Ų119110.7 Ų110.756%0.55653%0.527SS*.Hα-helixtrans-74-40.4178.6-164.4157.3-5.600112.2C6 H7 Y8 F12 K13 H14C6-Q10 VanDerWaalsContact O-CB 3.24Å; C6-Q10 WeakPolarHBondContact O-CB 3.36Å; C6-Q10 PolarHBondContact O-N 3.37Å; H7-Q10 PolarHBondContact O-N 3.44Å; Y8-Q10 VanDerWaalsContact C-N 3.34Å; Y8-Q10 PolarHBondContact O-N 3.33Å; Q10-F12 VanDerWaalsContact C-N 3.33Å; Q10-F12 PolarHBondContact O-N 3.18Å; Q10-K13 PolarHBondContact O-N 3.38Å; Q10-H14 WeakPolarHBondContact O-CB 3.32Å; Q10-H14 PolarHBondContact O-N 3.49Å
11F57.9Low53.9Low135 Ų135109.4 Ų109.459%0.59252%0.523SS*.Hα-helixtrans-60.6-42.7172.8-176.2-94.7000111.1H7 Y8 H14 L15H7-F11 WeakPolarHBondContact O-CB 3.36Å; H7-F11 PolarHBondContact O-N 3.31Å; Y8-F11 PolarHBondContact O-N 3.21Å; F11-H14 CarbonylContact O-C 3.59Å; F11-H14 WeakPolarHBondContact O-CB 3.36Å; F11-H14 PolarHBondContact O-N 3.47Å; F11-L15 HydrophobicContact CE1-CD1 4.43Å; F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 PolarHBondContact O-N 3.14Å
12F56.7Low55.6Low28 Ų28104.7 Ų104.712%0.12350%0.501CS..Hα-helixtrans-73.2-37.7177.7-160.8-87.2000112.8Y8 Q10 H14 L15 L16 L78 Y82Y8-F12 WeakPolarHBondContact O-CB 3.41Å; Y8-F12 PolarHBondContact O-N 3.5Å; Q10-F12 VanDerWaalsContact C-N 3.33Å; Q10-F12 PolarHBondContact O-N 3.18Å; F12-H14 PolarHBondContact O-N 3.46Å; F12-L15 HydrophobicContact CD2-CD2 4.19Å; F12-L15 HydrophobicContact CE2-CD2 4Å; F12-L15 PolarHBondContact O-N 3.44Å; F12-L15 VanDerWaalsContact O-N 3.09Å; F12-L16 HydrophobicContact CD1-CB 4.43Å; F12-L16 HydrophobicContact CE1-CB 4.27Å; F12-L16 HydrophobicContact CE1-CD1 3.92Å; F12-L16 WeakPolarHBondContact O-CB 3.44Å; F12-L16 PolarHBondContact O-N 3.27Å; F12-L78 HydrophobicContact CE1-CB 4.23Å; F12-L78 HydrophobicContact CZ-CB 4.05Å; F12-L78 HydrophobicContact CZ-CD1 4.1Å; F12-L78 HydrophobicContact CZ-CD2 3.95Å; F12-L78 HydrophobicContact CZ-CG 4.23Å; F12-Y82 HydrophobicContact CB-CE1 3.73Å; F12-Y82 HydrophobicContact CB-CE2 4.39Å; F12-Y82 HydrophobicContact CD1-CD1 4.05Å; F12-Y82 AromaticContact CD1-CD2 3.44Å; F12-Y82 HydrophobicContact CD1-CD2 3.44Å; F12-Y82 VanDerWaalsContact CD1-CD2 3.44Å; F12-Y82 AromaticContact CD1-CE1 3.75Å; F12-Y82 HydrophobicContact CD1-CE1 3.75Å; F12-Y82 AromaticContact CD1-CE2 3.12Å; F12-Y82 HydrophobicContact CD1-CE2 3.12Å; F12-Y82 AromaticContact CD1-CG 3.9Å; F12-Y82 HydrophobicContact CD1-CG 3.9Å; F12-Y82 AromaticContact CD1-CZ 3.26Å; F12-Y82 AromaticContact CD2-CE2 3.78Å; F12-Y82 HydrophobicContact CD2-CE2 3.78Å; F12-Y82 AromaticContact CD2-CZ 3.56Å; F12-Y82 WeakPolarHBondContact CD2-OH 3.25Å; F12-Y82 AromaticContact CE1-CD2 3.32Å; F12-Y82 HydrophobicContact CE1-CD2 3.32Å; F12-Y82 AromaticContact CE1-CE2 3.07Å; F12-Y82 HydrophobicContact CE1-CE2 3.07Å; F12-Y82 HydrophobicContact CE1-CG 4.16Å; F12-Y82 AromaticContact CE1-CZ 3.74Å; F12-Y82 AromaticContact CE2-CE2 3.73Å; F12-Y82 HydrophobicContact CE2-CE2 3.73Å; F12-Y82 AromaticContact CE2-CZ 3.99Å; F12-Y82 HydrophobicContact CG-CD1 4.47Å; F12-Y82 HydrophobicContact CG-CD2 4.23Å; F12-Y82 AromaticContact CG-CE1 3.73Å; F12-Y82 HydrophobicContact CG-CE1 3.73Å; F12-Y82 AromaticContact CG-CE2 3.48Å; F12-Y82 HydrophobicContact CG-CE2 3.48Å; F12-Y82 VanDerWaalsContact CG-CE2 3.48Å; F12-Y82 AromaticContact CG-CZ 3.16Å; F12-Y82 WeakPolarHBondContact CG-OH 3.39Å; F12-Y82 HydrophobicContact CZ-CD2 4.02Å; F12-Y82 AromaticContact CZ-CE2 3.39Å; F12-Y82 HydrophobicContact CZ-CE2 3.39Å
13K59.9Low57.1Low141 Ų14198.3 Ų98.361%0.61347%0.474SS*.Hα-helixtrans-55.3-42.5168-105.6-178.1175.6175.90110.7H9 Q10 F17H9-K13 WeakPolarHBondContact O-CB 3.48Å; H9-K13 PolarHBondContact O-N 2.99Å; Q10-K13 PolarHBondContact O-N 3.38Å; K13-F17 WeakPolarHBondContact O-CB 3.34Å; K13-F17 PolarHBondContact O-N 3.27Å
14H59.7Low58.6Low117 Ų11798.4 Ų98.454%0.54247%0.466SS..Hα-helixtrans-66.2-40173.1-94.5-6.9000113Q10 F11 F12 F17 N18Q10-H14 WeakPolarHBondContact O-CB 3.32Å; Q10-H14 PolarHBondContact O-N 3.49Å; F11-H14 CarbonylContact O-C 3.59Å; F11-H14 WeakPolarHBondContact O-CB 3.36Å; F11-H14 PolarHBondContact O-N 3.47Å; F12-H14 PolarHBondContact O-N 3.46Å; H14-F17 PolarHBondContact O-N 3.39Å; H14-N18 WeakPolarHBondContact O-CB 3.42Å; H14-N18 PolarHBondContact O-N 3.04Å; H14-N18 PolarHBondContact O-ND2 3.39Å
15L67.1Low60Low63 Ų6396.4 Ų96.433%0.3346%0.457SS..Hα-helixtrans-65.2-46.2177.9-165.190.2000111.4F11 F12 N18 Y19F11-L15 HydrophobicContact CE1-CD1 4.43Å; F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 PolarHBondContact O-N 3.14Å; F12-L15 HydrophobicContact CD2-CD2 4.19Å; F12-L15 HydrophobicContact CE2-CD2 4Å; F12-L15 PolarHBondContact O-N 3.44Å; F12-L15 VanDerWaalsContact O-N 3.09Å; L15-N18 CarbonylContact O-C 3.59Å; L15-N18 WeakPolarHBondContact O-CB 3.4Å; L15-N18 PolarHBondContact O-N 3.44Å; L15-Y19 HydrophobicContact CD2-CE2 4.49Å; L15-Y19 HydrophobicContact CG-CD2 4.22Å; L15-Y19 HydrophobicContact CG-CE2 4.44Å; L15-Y19 PolarHBondContact O-N 3.49Å
16L60.2Low61.4Low47 Ų4794.7 Ų94.725%0.24645%0.447CS..Hα-helixtrans-67-40.7177.6-166.1124.5000110.7F12 N18 Y19 L20 L78 A79F12-L16 HydrophobicContact CD1-CB 4.43Å; F12-L16 HydrophobicContact CE1-CB 4.27Å; F12-L16 HydrophobicContact CE1-CD1 3.92Å; F12-L16 WeakPolarHBondContact O-CB 3.44Å; F12-L16 PolarHBondContact O-N 3.27Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-Y19 PolarHBondContact O-N 3.19Å; L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 PolarHBondContact O-N 3.26Å; L16-L78 HydrophobicContact CD1-CB 3.97Å; L16-A79 HydrophobicContact CD1-CB 4.42Å
17F63.3Low62.4Low119 Ų11995 Ų9552%0.52244%0.443SS..Hα-helixtrans-60.7-42.9171.1-176.3-104.1000111.4K13 H14 L20 L21K13-F17 WeakPolarHBondContact O-CB 3.34Å; K13-F17 PolarHBondContact O-N 3.27Å; H14-F17 PolarHBondContact O-N 3.39Å; F17-L20 PolarHBondContact O-N 3.4Å; F17-L21 HydrophobicContact CD1-CD1 3.82Å; F17-L21 HydrophobicContact CE1-CD1 3.28Å; F17-L21 HydrophobicContact CZ-CD1 3.71Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 3.4Å
18N67.1Low63.4Low81 Ų8194.8 Ų94.843%0.43344%0.44SS..Hα-helixtrans-66-42.6176.7-76.7-22.9000111.9H14 L15 L16 L20 L21 I22H14-N18 WeakPolarHBondContact O-CB 3.42Å; H14-N18 PolarHBondContact O-N 3.04Å; H14-N18 PolarHBondContact O-ND2 3.39Å; L15-N18 CarbonylContact O-C 3.59Å; L15-N18 WeakPolarHBondContact O-CB 3.4Å; L15-N18 PolarHBondContact O-N 3.44Å; L16-N18 VanDerWaalsContact C-N 3.34Å; N18-L20 VanDerWaalsContact C-N 3.35Å; N18-L21 CarbonylContact O-C 3.54Å; N18-L21 WeakPolarHBondContact O-CB 3.47Å; N18-L21 PolarHBondContact O-N 3.36Å; N18-I22 WeakPolarHBondContact O-CB 3.03Å; N18-I22 WeakPolarHBondContact O-CD1 3.33Å; N18-I22 WeakPolarHBondContact O-CG1 3.32Å; N18-I22 PolarHBondContact O-N 3.43Å
19Y67.8Low64.1Low119 Ų11991.7 Ų91.747%0.46743%0.431SS..Hα-helixtrans-61.3-44.9173.6-102.2-84000111.1L15 L16 L21 I22 I23L15-Y19 HydrophobicContact CD2-CE2 4.49Å; L15-Y19 HydrophobicContact CG-CD2 4.22Å; L15-Y19 HydrophobicContact CG-CE2 4.44Å; L15-Y19 PolarHBondContact O-N 3.49Å; L16-Y19 PolarHBondContact O-N 3.19Å; Y19-L21 VanDerWaalsContact C-N 3.3Å; Y19-L21 PolarHBondContact O-N 2.87Å; Y19-I22 PolarHBondContact O-N 3.38Å; Y19-I23 WeakPolarHBondContact O-CB 3.37Å; Y19-I23 VanDerWaalsContact O-CG1 3.25Å; Y19-I23 WeakPolarHBondContact O-CG1 3.3Å; Y19-I23 PolarHBondContact O-N 3.45Å
20L65.5Low64.6Low88 Ų8889.7 Ų89.746%0.46142%0.423SS..Hα-helixtrans-62.3-39.2175.4-160.5112.5000111.1L16 F17 N18 I23 I24L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 PolarHBondContact O-N 3.26Å; F17-L20 PolarHBondContact O-N 3.4Å; N18-L20 VanDerWaalsContact C-N 3.35Å; L20-I23 PolarHBondContact O-N 3.35Å; L20-I24 HydrophobicContact CD2-CD1 3.66Å; L20-I24 HydrophobicContact CG-CD1 4.19Å; L20-I24 WeakPolarHBondContact O-CB 3.43Å; L20-I24 WeakPolarHBondContact O-CD1 3.44Å; L20-I24 WeakPolarHBondContact O-CG1 3.41Å; L20-I24 PolarHBondContact O-N 3.34Å
21L67.4Low65.1Low83 Ų8389.4 Ų89.444%0.43542%0.424SS..Hα-helixtrans-66.4-40.4174.9-124.4148.2000112.2F17 N18 Y19 I24 F25F17-L21 HydrophobicContact CD1-CD1 3.82Å; F17-L21 HydrophobicContact CE1-CD1 3.28Å; F17-L21 HydrophobicContact CZ-CD1 3.71Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 3.4Å; N18-L21 CarbonylContact O-C 3.54Å; N18-L21 WeakPolarHBondContact O-CB 3.47Å; N18-L21 PolarHBondContact O-N 3.36Å; Y19-L21 VanDerWaalsContact C-N 3.3Å; Y19-L21 PolarHBondContact O-N 2.87Å; L21-I24 PolarHBondContact O-N 3.37Å; L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 PolarHBondContact O-N 3.11Å
22I69.7Low65.1Low86 Ų8690.4 Ų90.444%0.44143%0.425SS..Hα-helixtrans-64.6-43.6174.7-70.6162.1000109.6N18 Y19 F25 I26N18-I22 WeakPolarHBondContact O-CB 3.03Å; N18-I22 WeakPolarHBondContact O-CD1 3.33Å; N18-I22 WeakPolarHBondContact O-CG1 3.32Å; N18-I22 PolarHBondContact O-N 3.43Å; Y19-I22 PolarHBondContact O-N 3.38Å; I22-F25 PolarHBondContact O-N 3.36Å; I22-I26 HydrophobicContact CG2-CD1 3.64Å; I22-I26 HydrophobicContact CG2-CG1 4.29Å; I22-I26 WeakPolarHBondContact O-CB 3.41Å; I22-I26 WeakPolarHBondContact O-CG1 3.33Å; I22-I26 PolarHBondContact O-N 3.02Å
23I65.9Low65.2Low24 Ų2489.4 Ų89.412%0.12342%0.422CS..Hα-helixtrans-62.1-48175.1-70.1164.5000110.4Y19 L20 F25 I26 M27 M71Y19-I23 WeakPolarHBondContact O-CB 3.37Å; Y19-I23 VanDerWaalsContact O-CG1 3.25Å; Y19-I23 WeakPolarHBondContact O-CG1 3.3Å; Y19-I23 PolarHBondContact O-N 3.45Å; L20-I23 PolarHBondContact O-N 3.35Å; I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 PolarHBondContact O-N 2.76Å; I23-I26 PolarHBondContact O-N 3.16Å; I23-M27 HydrophobicContact CG2-CG 4.36Å; I23-M27 VanDerWaalsContact O-CB 3.25Å; I23-M27 WeakPolarHBondContact O-CB 3.44Å; I23-M27 VanDerWaalsContact O-CG 3.26Å; I23-M27 WeakPolarHBondContact O-CG 3.48Å; I23-M27 PolarHBondContact O-N 3.5Å; I23-M71 HydrophobicContact CD1-CG 3.95Å; I23-M71 HydrophobicContact CD1-SD 3.6Å; I23-M71 HydrophobicContact CG1-CG 4.34Å; I23-M71 HydrophobicContact CG1-SD 3.32Å; I23-M71 WeakPolarHBondContact CG1-SD 3.42Å
24I68.1Low65Low95 Ų9589.3 Ų89.349%0.48742%0.421SS..Hα-helixtrans-61.2-39.1176.7-71164.9000110.2L20 L21 M27 K28L20-I24 HydrophobicContact CD2-CD1 3.66Å; L20-I24 HydrophobicContact CG-CD1 4.19Å; L20-I24 WeakPolarHBondContact O-CB 3.43Å; L20-I24 WeakPolarHBondContact O-CD1 3.44Å; L20-I24 WeakPolarHBondContact O-CG1 3.41Å; L20-I24 PolarHBondContact O-N 3.34Å; L21-I24 PolarHBondContact O-N 3.37Å; I24-M27 PolarHBondContact O-N 3.13Å; I24-K28 WeakPolarHBondContact O-CB 3.41Å; I24-K28 PolarHBondContact O-N 3.06Å
25F69.2Low64.7Low122 Ų12289.7 Ų89.754%0.53542%0.423SS..Hα-helixtrans-66.5-48.8177.2-177.1-97.2000111.3L21 I22 I23 M27 K28 Q29L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 PolarHBondContact O-N 3.11Å; I22-F25 PolarHBondContact O-N 3.36Å; I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 PolarHBondContact O-N 2.76Å; F25-M27 VanDerWaalsContact C-N 3.31Å; F25-M27 PolarHBondContact O-N 3.11Å; F25-K28 PolarHBondContact O-N 3.12Å; F25-Q29 HydrophobicContact CD1-CG 4.27Å; F25-Q29 HydrophobicContact CE1-CG 3.92Å; F25-Q29 HydrophobicContact CE2-CG 4.47Å; F25-Q29 HydrophobicContact CZ-CG 4.03Å; F25-Q29 WeakPolarHBondContact O-CG 3.2Å; F25-Q29 PolarHBondContact O-N 3.35Å
26I69.7Low63.9Low75 Ų7589.1 Ų89.139%0.38542%0.422SS..Hα-helixtrans-59.3-44.5175.4-69.5166.8000110I22 I23 Q29 L30I22-I26 HydrophobicContact CG2-CD1 3.64Å; I22-I26 HydrophobicContact CG2-CG1 4.29Å; I22-I26 WeakPolarHBondContact O-CB 3.41Å; I22-I26 WeakPolarHBondContact O-CG1 3.33Å; I22-I26 PolarHBondContact O-N 3.02Å; I23-I26 PolarHBondContact O-N 3.16Å; I26-Q29 PolarHBondContact O-N 2.82Å; I26-L30 HydrophobicContact CG2-CD1 3.76Å; I26-L30 HydrophobicContact CG2-CG 4.47Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 3.49Å
27M67.1Low63.3Low76 Ų7689.4 Ų89.437%0.37443%0.426SS..Hα-helixtrans-63.9-41.8176.2-77.9-66.2-88.600112.3I23 I24 F25 Q29 L30 I31 L68I23-M27 HydrophobicContact CG2-CG 4.36Å; I23-M27 VanDerWaalsContact O-CB 3.25Å; I23-M27 WeakPolarHBondContact O-CB 3.44Å; I23-M27 VanDerWaalsContact O-CG 3.26Å; I23-M27 WeakPolarHBondContact O-CG 3.48Å; I23-M27 PolarHBondContact O-N 3.5Å; I24-M27 PolarHBondContact O-N 3.13Å; F25-M27 VanDerWaalsContact C-N 3.31Å; F25-M27 PolarHBondContact O-N 3.11Å; M27-Q29 VanDerWaalsContact C-N 3.32Å; M27-Q29 PolarHBondContact O-N 3.35Å; M27-L30 PolarHBondContact O-N 2.92Å; M27-L30 HydrophobicContact SD-CD1 4.18Å; M27-I31 WeakPolarHBondContact O-CB 3.46Å; M27-I31 WeakPolarHBondContact O-CD1 3.28Å; M27-I31 WeakPolarHBondContact O-CG1 3.35Å; M27-I31 PolarHBondContact O-N 3.12Å; M27-L68 HydrophobicContact CE-CD1 4.12Å; M27-L68 HydrophobicContact CG-CD1 3.87Å; M27-L68 HydrophobicContact SD-CD1 3.22Å; M27-L68 WeakPolarHBondContact SD-CD1 2.9Å
28K69.1Low62.4Low135 Ų13589.9 Ų89.959%0.58743%0.43SS*.Hα-helixtrans-62.5-41.7175.1-168.6177.8-179-176.90110.6I24 F25 I31 Y32I24-K28 WeakPolarHBondContact O-CB 3.41Å; I24-K28 PolarHBondContact O-N 3.06Å; F25-K28 PolarHBondContact O-N 3.12Å; K28-I31 PolarHBondContact O-N 3.24Å; K28-Y32 WeakPolarHBondContact O-CB 3.21Å; K28-Y32 PolarHBondContact O-N 3.29Å
29Q66.5Low61.3Low89 Ų8991.1 Ų91.142%0.41644%0.436SS..Hα-helixtrans-71-34.6176.2-61.7-44.847.600113.3F25 I26 M27 Y32 A33F25-Q29 HydrophobicContact CD1-CG 4.27Å; F25-Q29 HydrophobicContact CE1-CG 3.92Å; F25-Q29 HydrophobicContact CE2-CG 4.47Å; F25-Q29 HydrophobicContact CZ-CG 4.03Å; F25-Q29 WeakPolarHBondContact O-CG 3.2Å; F25-Q29 PolarHBondContact O-N 3.35Å; I26-Q29 PolarHBondContact O-N 2.82Å; M27-Q29 VanDerWaalsContact C-N 3.32Å; M27-Q29 PolarHBondContact O-N 3.35Å; Q29-Y32 PolarHBondContact O-N 3.47Å; Q29-A33 WeakPolarHBondContact O-CB 3.24Å; Q29-A33 PolarHBondContact O-N 3.01Å
30L64Low60.2Low41 Ų4191 Ų9122%0.21544%0.44CS..Hα-helixtrans-62.4-44.6170.8-80159.6000111.4I26 M27 A33 K34 F57 I64I26-L30 HydrophobicContact CG2-CD1 3.76Å; I26-L30 HydrophobicContact CG2-CG 4.47Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 3.49Å; M27-L30 PolarHBondContact O-N 2.92Å; M27-L30 HydrophobicContact SD-CD1 4.18Å; L30-A33 PolarHBondContact O-N 2.89Å; L30-K34 PolarHBondContact O-N 2.83Å; L30-F57 HydrophobicContact CD2-CD1 3.9Å; L30-F57 HydrophobicContact CD2-CE1 3.41Å; L30-F57 VanDerWaalsContact CD2-CE1 3.41Å; L30-F57 HydrophobicContact CD2-CZ 4.3Å; L30-I64 HydrophobicContact CD1-CG2 4.23Å; L30-I64 HydrophobicContact CD2-CD1 4.45Å; L30-I64 HydrophobicContact CD2-CG2 4.49Å
31I65.3Low59.1Low113 Ų11390.2 Ų90.258%0.57944%0.442SS*.Hα-helixtrans-64.6-44.6175.9-67.1163000110.3M27 K28 A33 K34 H35M27-I31 WeakPolarHBondContact O-CB 3.46Å; M27-I31 WeakPolarHBondContact O-CD1 3.28Å; M27-I31 WeakPolarHBondContact O-CG1 3.35Å; M27-I31 PolarHBondContact O-N 3.12Å; K28-I31 PolarHBondContact O-N 3.24Å; I31-A33 PolarHBondContact O-N 3.24Å; I31-K34 PolarHBondContact O-N 3.36Å; I31-H35 PolarHBondContact O-N 3.16Å
32Y59.1Low58.1Low156 Ų15691.7 Ų91.761%0.61245%0.454SS*.Hα-helixtrans-63.5-42.9179-149.5-86.6000111.4K28 Q29 K34 H35 T36K28-Y32 WeakPolarHBondContact O-CB 3.21Å; K28-Y32 PolarHBondContact O-N 3.29Å; Q29-Y32 PolarHBondContact O-N 3.47Å; Y32-K34 PolarHBondContact O-N 2.87Å; Y32-H35 WeakPolarHBondContact O-CB 3.48Å; Y32-H35 PolarHBondContact O-N 3.34Å; Y32-H35 VanDerWaalsContact O-N 3.1Å; Y32-T36 HydrophobicContact CD1-CG2 4.09Å; Y32-T36 HydrophobicContact CE1-CG2 4.18Å; Y32-T36 PolarHBondContact O-N 3.04Å; Y32-T36 PolarHBondContact O-OG1 3.39Å
33A57.4Low56.9Low7 Ų794.1 Ų94.16%0.05847%0.467CS..Hα-helixtrans-65-39.5178.900000111.7Q29 L30 I31 H35 T36 T37 W55 F57Q29-A33 WeakPolarHBondContact O-CB 3.24Å; Q29-A33 PolarHBondContact O-N 3.01Å; L30-A33 PolarHBondContact O-N 2.89Å; I31-A33 PolarHBondContact O-N 3.24Å; A33-H35 VanDerWaalsContact C-N 3.3Å; A33-H35 PolarHBondContact O-N 3.29Å; A33-T36 VanDerWaalsContact CA-OG1 3.3Å; A33-T36 WeakPolarHBondContact CA-OG1 3.4Å; A33-T36 PolarHBondContact O-N 3.31Å; A33-T36 PolarHBondContact O-OG1 2.94Å; A33-T37 WeakPolarHBondContact O-CG2 3.36Å; A33-T37 PolarHBondContact O-N 3.08Å; A33-W55 HydrophobicContact CB-CD2 4.43Å; A33-F57 HydrophobicContact CB-CE2 3.38Å; A33-F57 HydrophobicContact CB-CZ 3.31Å
34K55.3Low55.7Low139 Ų13997.9 Ų97.960%0.60449%0.486SS*.Hα-helixtrans-61.9-35.6170.9-173.4176.3-179.2179.80112.7L30 I31 Y32 T37 H38L30-K34 PolarHBondContact O-N 2.83Å; I31-K34 PolarHBondContact O-N 3.36Å; Y32-K34 PolarHBondContact O-N 2.87Å; K34-T37 PolarHBondContact O-OG1 3.47Å; K34-H38 PolarHBondContact O-N 3.21Å
35H53.6Low54.4Low126 Ų126102.4 Ų102.458%0.58351%0.505SS*.Hα-helixtrans-72.5-34.1176.6-144.3-57000111.9I31 Y32 A33 N39I31-H35 PolarHBondContact O-N 3.16Å; Y32-H35 WeakPolarHBondContact O-CB 3.48Å; Y32-H35 PolarHBondContact O-N 3.34Å; Y32-H35 VanDerWaalsContact O-N 3.1Å; A33-H35 VanDerWaalsContact C-N 3.3Å; A33-H35 PolarHBondContact O-N 3.29Å; H35-N39 PolarHBondContact O-N 3.41Å
36T51.8Low53.1Low50 Ų50100.7 Ų100.731%0.30751%0.508SS..Hα-helixtrans-71.2-33174.9530000113.2Y32 A33 N39 H40Y32-T36 HydrophobicContact CD1-CG2 4.09Å; Y32-T36 HydrophobicContact CE1-CG2 4.18Å; Y32-T36 PolarHBondContact O-N 3.04Å; Y32-T36 PolarHBondContact O-OG1 3.39Å; A33-T36 VanDerWaalsContact CA-OG1 3.3Å; A33-T36 WeakPolarHBondContact CA-OG1 3.4Å; A33-T36 PolarHBondContact O-N 3.31Å; A33-T36 PolarHBondContact O-OG1 2.94Å; T36-N39 PolarHBondContact O-N 3.34Å; T36-H40 WeakPolarHBondContact O-CB 3.45Å; T36-H40 PolarHBondContact O-N 3.22Å
37T47.4Very low51.9Low53 Ų53107.4 Ų107.433%0.32553%0.534SS..Hα-helixtrans-66.6-36.6176.8530000112.1A33 K34 H40 S41 W55A33-T37 WeakPolarHBondContact O-CG2 3.36Å; A33-T37 PolarHBondContact O-N 3.08Å; K34-T37 PolarHBondContact O-OG1 3.47Å; T37-H40 PolarHBondContact O-N 2.81Å; T37-S41 PolarHBondContact O-N 3.36Å; T37-S41 PolarHBondContact O-OG 3.19Å; T37-W55 HydrophobicContact CG2-CB 4.26Å
38H44.5Very low51Low130 Ų130107.9 Ų107.960%0.60256%0.559SS**Hα-helixtrans-66.8-33.7172.6-97.5-67.1000113.5K34 S41K34-H38 PolarHBondContact O-N 3.21Å; H38-S41 PolarHBondContact O-OG 3.46Å
39N44.2Very low50.1Low106 Ų106104.4 Ų104.457%0.56756%0.561SS**Hα-helixtrans-76.8-38.3175.9-73.5-2.4000111.5H35 T36 T42H35-N39 PolarHBondContact O-N 3.41Å; T36-N39 PolarHBondContact O-N 3.34Å; N39-T42 PolarHBondContact O-N 2.87Å; N39-T42 PolarHBondContact O-OG1 2.94Å
40H44.2Very low49.8Very low116 Ų116108.3 Ų108.354%0.53758%0.583SS.*Hα-helixtrans-75.1-22.7180-102.8-68.6000114.4T36 T37 T42 I43 I44T36-H40 WeakPolarHBondContact O-CB 3.45Å; T36-H40 PolarHBondContact O-N 3.22Å; T37-H40 PolarHBondContact O-N 2.81Å; H40-T42 PolarHBondContact O-N 2.98Å; H40-T42 VanDerWaalsContact O-N 3.12Å; H40-I43 PolarHBondContact O-N 3.36Å; H40-I43 VanDerWaalsContact O-N 3.16Å; H40-I44 WeakPolarHBondContact ND1-CD1 3.43Å
41S42Very low49.7Very low73 Ų73109.7 Ų109.751%0.5160%0.596SS.*THydrogen-bonded Turntrans-63.7-14.417553.50000113.4T37 H38T37-S41 PolarHBondContact O-N 3.36Å; T37-S41 PolarHBondContact O-OG 3.19Å; H38-S41 PolarHBondContact O-OG 3.46Å
42T45.9Very low50.2Low113 Ų113112.3 Ų112.369%0.69361%0.61SS**THydrogen-bonded Turntrans-86.7-12.5176.160.20000114.6N39 H40N39-T42 PolarHBondContact O-N 2.87Å; N39-T42 PolarHBondContact O-OG1 2.94Å; H40-T42 PolarHBondContact O-N 2.98Å; H40-T42 VanDerWaalsContact O-N 3.12Å
43I43.8Very low50.9Low137 Ų137110.3 Ų110.370%0.70361%0.609SS**THydrogen-bonded Turntrans-120.5-13.3-171.9-61.8-179.1000114.6H40H40-I43 PolarHBondContact O-N 3.36Å; H40-I43 VanDerWaalsContact O-N 3.16Å
44I40.9Very low51.7Low104 Ų104117 Ų11753%0.53364%0.637SS.*  trans-118.970.6-174.4-46.6180000111.9H40H40-I44 WeakPolarHBondContact ND1-CD1 3.43Å
45H41Very low52.6Low190 Ų190117.2 Ų117.288%0.8863%0.634SS**  trans-100.534.3154.3-86.7-69.1000111.3
46S43.2Very low53.6Low86 Ų86115.1 Ų115.160%0.60162%0.624SS**  trans-95.5107.9166.9620000110G48S46-G48 PolarHBondContact O-N 3.35Å
47K43.5Very low54.7Low215 Ų215115 Ų11594%0.93562%0.619SS**THydrogen-bonded Turntrans-45.5130.1170.5-69.6172.8173.7177.10111.6
48G48.2Very low55.8Low87 Ų87121.1 Ų121.190%0.89764%0.644SS**THydrogen-bonded Turntrans8618.9154.500000119S46S46-G48 PolarHBondContact O-N 3.35Å
49G50.6Low57.2Low61 Ų61121 Ų12163%0.62964%0.643SS**  trans-87.7131.8170.600000111.9S51G49-S51 PolarHBondContact O-N 3.06Å
50I59.4Low58.7Low171 Ų171120.9 Ų120.988%0.87764%0.638SS**  trans-60.6103.5168.6-61.1166.1000107.2I52I50-I52 PolarHBondContact O-N 2.99Å
51S63.4Low60.1Low70 Ų70118.2 Ų118.249%0.4963%0.632SS.*  trans-73.8126.8174.576.30000108.8G49 I53G49-S51 PolarHBondContact O-N 3.06Å; S51-I53 PolarHBondContact O-N 3.31Å
52I74.2Confident61.4Low169 Ų169117.8 Ų117.887%0.86763%0.627SS**SBendtrans-60.7-33.1-178.9-58.9167.1000111I50I50-I52 PolarHBondContact O-N 2.99Å
53I75.1Confident62.8Low114 Ų114118 Ų11859%0.58562%0.619SS**  trans-141.9120.5175.2-56.6172.7000108.3S51 W55S51-I53 PolarHBondContact O-N 3.31Å; I53-W55 HydrophobicContact CG2-CD2 4.21Å; I53-W55 HydrophobicContact CG2-CG 4.26Å; I53-W55 HydrophobicContact CG2-CZ2 4.24Å
54K73.9Confident64.4Low148 Ų148114.3 Ų114.364%0.64360%0.601SS**  trans-104.2114.1172.6-162.4-174.1-175.4-1650108.4E56K54-E56 HydrophobicContact CD-CG 4.15Å; K54-E56 WeakPolarHBondContact CD-OE1 3.46Å; K54-E56 WeakPolarHBondContact CE-OE1 3.37Å; K54-E56 HydrophobicContact CG-CG 4.13Å; K54-E56 IonicContact NZ-OE1 3.69Å; K54-E56 PolarHBondContact NZ-OE1 3.4Å
55W73.8Confident66Low143 Ų143111.3 Ų111.354%0.54259%0.587SS.*  trans-93.6100.8178.3-70.4102.1000110.4A33 T37 I53 F57A33-W55 HydrophobicContact CB-CD2 4.43Å; T37-W55 HydrophobicContact CG2-CB 4.26Å; I53-W55 HydrophobicContact CG2-CD2 4.21Å; I53-W55 HydrophobicContact CG2-CG 4.26Å; I53-W55 HydrophobicContact CG2-CZ2 4.24Å; W55-F57 HydrophobicContact CB-CD2 3.93Å; W55-F57 HydrophobicContact CB-CE2 3.63Å; W55-F57 HydrophobicContact CB-CZ 4.44Å; W55-F57 AromaticContact CD2-CE2 3.77Å; W55-F57 HydrophobicContact CD2-CE2 3.77Å; W55-F57 AromaticContact CD2-CZ 3.77Å; W55-F57 HydrophobicContact CD2-CZ 3.77Å; W55-F57 HydrophobicContact CE3-CD2 4.48Å; W55-F57 AromaticContact CE3-CE1 3.76Å; W55-F57 HydrophobicContact CE3-CE1 3.76Å; W55-F57 AromaticContact CE3-CE2 3.49Å; W55-F57 HydrophobicContact CE3-CE2 3.49Å; W55-F57 VanDerWaalsContact CE3-CE2 3.49Å; W55-F57 AromaticContact CE3-CZ 3.05Å; W55-F57 HydrophobicContact CE3-CZ 3.05Å; W55-F57 AromaticContact CG-CE2 3.88Å; W55-F57 HydrophobicContact CG-CE2 3.88Å; W55-F57 HydrophobicContact CG-CZ 4.38Å; W55-F57 HydrophobicContact CH2-CZ 4.47Å; W55-F57 HydrophobicContact CZ3-CE1 4.01Å; W55-F57 HydrophobicContact CZ3-CE2 4.32Å; W55-F57 AromaticContact CZ3-CZ 3.48Å; W55-F57 HydrophobicContact CZ3-CZ 3.48Å; W55-F57 VanDerWaalsContact CZ3-CZ 3.48Å; W55-F57 PolarHBondContact O-N 2.9Å
56E75.1Confident67.5Low82 Ų82105 Ų10538%0.38356%0.562SS.*  trans-100.254.2179.3-67.2-179.7150.900112K54 H58 E59K54-E56 HydrophobicContact CD-CG 4.15Å; K54-E56 WeakPolarHBondContact CD-OE1 3.46Å; K54-E56 WeakPolarHBondContact CE-OE1 3.37Å; K54-E56 HydrophobicContact CG-CG 4.13Å; K54-E56 IonicContact NZ-OE1 3.69Å; K54-E56 PolarHBondContact NZ-OE1 3.4Å; E56-H58 PolarHBondContact O-N 2.96Å; E56-H58 VanDerWaalsContact O-N 3.13Å; E56-E59 PolarHBondContact O-N 2.97Å
57F74.3Confident69Low47 Ų47106.6 Ų106.621%0.20656%0.561CS.*Hα-helixtrans-57.2-30.8-177.4-71.9-67.7000114.4L30 A33 W55 E59 F60 S61 I64L30-F57 HydrophobicContact CD2-CD1 3.9Å; L30-F57 HydrophobicContact CD2-CE1 3.41Å; L30-F57 VanDerWaalsContact CD2-CE1 3.41Å; L30-F57 HydrophobicContact CD2-CZ 4.3Å; A33-F57 HydrophobicContact CB-CE2 3.38Å; A33-F57 HydrophobicContact CB-CZ 3.31Å; W55-F57 HydrophobicContact CB-CD2 3.93Å; W55-F57 HydrophobicContact CB-CE2 3.63Å; W55-F57 HydrophobicContact CB-CZ 4.44Å; W55-F57 AromaticContact CD2-CE2 3.77Å; W55-F57 HydrophobicContact CD2-CE2 3.77Å; W55-F57 AromaticContact CD2-CZ 3.77Å; W55-F57 HydrophobicContact CD2-CZ 3.77Å; W55-F57 HydrophobicContact CE3-CD2 4.48Å; W55-F57 AromaticContact CE3-CE1 3.76Å; W55-F57 HydrophobicContact CE3-CE1 3.76Å; W55-F57 AromaticContact CE3-CE2 3.49Å; W55-F57 HydrophobicContact CE3-CE2 3.49Å; W55-F57 VanDerWaalsContact CE3-CE2 3.49Å; W55-F57 AromaticContact CE3-CZ 3.05Å; W55-F57 HydrophobicContact CE3-CZ 3.05Å; W55-F57 AromaticContact CG-CE2 3.88Å; W55-F57 HydrophobicContact CG-CE2 3.88Å; W55-F57 HydrophobicContact CG-CZ 4.38Å; W55-F57 HydrophobicContact CH2-CZ 4.47Å; W55-F57 HydrophobicContact CZ3-CE1 4.01Å; W55-F57 HydrophobicContact CZ3-CE2 4.32Å; W55-F57 AromaticContact CZ3-CZ 3.48Å; W55-F57 HydrophobicContact CZ3-CZ 3.48Å; W55-F57 VanDerWaalsContact CZ3-CZ 3.48Å; W55-F57 PolarHBondContact O-N 2.9Å; F57-E59 VanDerWaalsContact C-N 3.33Å; F57-E59 PolarHBondContact O-N 3.37Å; F57-F60 PolarHBondContact O-N 2.95Å; F57-S61 WeakPolarHBondContact O-CA 3.47Å; F57-S61 WeakPolarHBondContact O-CB 3.1Å; F57-S61 PolarHBondContact O-N 3.3Å; F57-I64 HydrophobicContact CD1-CD1 4.4Å
58H71.4Confident70.7Confident182 Ų18298.1 Ų98.184%0.84353%0.526SS*.Hα-helixtrans-65.2-37.5-175.9-171.8-81000112.1E56E56-H58 PolarHBondContact O-N 2.96Å; E56-H58 VanDerWaalsContact O-N 3.13Å
59E73.4Confident72.1Confident127 Ų12794.5 Ų94.559%0.59349%0.486SS*.Hα-helixtrans-71.2-39.5-179.8-169.8171.1-18000111.6E56 F57E56-E59 PolarHBondContact O-N 2.97Å; F57-E59 VanDerWaalsContact C-N 3.33Å; F57-E59 PolarHBondContact O-N 3.37Å
60F75.9Confident73.5Confident104 Ų10494.1 Ų94.146%0.45647%0.469SS..Hα-helixtrans-96.11.7-176.7-63.2-77.7000114.8F57 T62 H63 I64F57-F60 PolarHBondContact O-N 2.95Å; F60-T62 VanDerWaalsContact C-N 3.28Å; F60-T62 PolarHBondContact O-N 3.46Å; F60-H63 PolarHBondContact O-N 3.02Å; F60-I64 HydrophobicContact CB-CD1 4.06Å; F60-I64 HydrophobicContact CB-CG1 4.37Å; F60-I64 WeakPolarHBondContact O-CG1 3.38Å; F60-I64 PolarHBondContact O-N 2.77Å
61S73.1Confident74.5Confident59 Ų5989 Ų8941%0.41344%0.442SS..Hα-helixtrans-53.3-46.2-175.3-177.90000111.9F57 I64 T65F57-S61 WeakPolarHBondContact O-CA 3.47Å; F57-S61 WeakPolarHBondContact O-CB 3.1Å; F57-S61 PolarHBondContact O-N 3.3Å; S61-I64 PolarHBondContact O-N 3.43Å; S61-T65 VanDerWaalsContact O-CG2 3.26Å; S61-T65 WeakPolarHBondContact O-CG2 3.19Å; S61-T65 PolarHBondContact O-N 3.49Å; S61-T65 PolarHBondContact O-OG1 3.06Å
62T70.2Confident75.3Confident64 Ų6488.6 Ų88.639%0.39343%0.434SS..Hα-helixtrans-61.8-49.5-179.9590000111.6F60 I64 T65 V66 V120F60-T62 VanDerWaalsContact C-N 3.28Å; F60-T62 PolarHBondContact O-N 3.46Å; T62-I64 PolarHBondContact O-N 2.98Å; T62-T65 PolarHBondContact O-N 3.43Å; T62-T65 PolarHBondContact O-OG1 3.43Å; T62-V66 WeakPolarHBondContact O-CG2 3.48Å; T62-V66 PolarHBondContact O-N 3.5Å; T62-V120 HydrophobicContact CG2-CG2 3.68Å
63H74.5Confident75.7Confident117 Ų11780.9 Ų80.954%0.54239%0.394SS..Hα-helixtrans-60.8-44.8177.9-62.2-66.2000112.4F60 T65 V66 M67F60-H63 PolarHBondContact O-N 3.02Å; H63-T65 VanDerWaalsContact C-N 3.33Å; H63-T65 PolarHBondContact O-N 3.48Å; H63-V66 PolarHBondContact O-N 3.16Å; H63-M67 VanDerWaalsContact O-CG 3.3Å; H63-M67 WeakPolarHBondContact O-CG 3.49Å; H63-M67 PolarHBondContact O-N 3.04Å
64I77.4Confident75.9Confident60 Ų6079.9 Ų79.931%0.30839%0.389SS..Hα-helixtrans-62-43.4178.3-67.4168.4000110.3L30 F57 F60 S61 T62 V66 M67 L68L30-I64 HydrophobicContact CD1-CG2 4.23Å; L30-I64 HydrophobicContact CD2-CD1 4.45Å; L30-I64 HydrophobicContact CD2-CG2 4.49Å; F57-I64 HydrophobicContact CD1-CD1 4.4Å; F60-I64 HydrophobicContact CB-CD1 4.06Å; F60-I64 HydrophobicContact CB-CG1 4.37Å; F60-I64 WeakPolarHBondContact O-CG1 3.38Å; F60-I64 PolarHBondContact O-N 2.77Å; S61-I64 PolarHBondContact O-N 3.43Å; T62-I64 PolarHBondContact O-N 2.98Å; I64-V66 PolarHBondContact O-N 2.86Å; I64-M67 PolarHBondContact O-N 2.83Å; I64-L68 WeakPolarHBondContact O-CB 3.21Å; I64-L68 PolarHBondContact O-N 3.48Å
65T74.5Confident76.3Confident41 Ų4173.8 Ų73.825%0.25237%0.365SS..Hα-helixtrans-63.2-42178.856.50000112.5S61 T62 H63 L68 F69S61-T65 VanDerWaalsContact O-CG2 3.26Å; S61-T65 WeakPolarHBondContact O-CG2 3.19Å; S61-T65 PolarHBondContact O-N 3.49Å; S61-T65 PolarHBondContact O-OG1 3.06Å; T62-T65 PolarHBondContact O-N 3.43Å; T62-T65 PolarHBondContact O-OG1 3.43Å; H63-T65 VanDerWaalsContact C-N 3.33Å; H63-T65 PolarHBondContact O-N 3.48Å; T65-L68 PolarHBondContact O-N 2.92Å; T65-F69 WeakPolarHBondContact O-CB 3.28Å; T65-F69 PolarHBondContact O-N 3.15Å
66V71.8Confident76.6Confident57 Ų5769 Ų6935%0.34535%0.35SS..Hα-helixtrans-66.5-39.7176175.10000111.5T62 H63 I64 F69 L70 V120T62-V66 WeakPolarHBondContact O-CG2 3.48Å; T62-V66 PolarHBondContact O-N 3.5Å; H63-V66 PolarHBondContact O-N 3.16Å; I64-V66 PolarHBondContact O-N 2.86Å; V66-F69 VanDerWaalsContact O-CB 3.23Å; V66-F69 WeakPolarHBondContact O-CB 3.39Å; V66-F69 PolarHBondContact O-N 2.83Å; V66-L70 HydrophobicContact CG1-CD1 4.16Å; V66-L70 WeakPolarHBondContact O-CG 3.41Å; V66-L70 PolarHBondContact O-N 3.49Å; V66-V120 HydrophobicContact CG2-CG1 3.9Å
67M76.5Confident76.8Confident120 Ų12067.3 Ų67.359%0.59134%0.341SS*.Hα-helixtrans-66.7-42.2177.3-70.8-63.6151.700111.8H63 I64 F69 L70 M71H63-M67 VanDerWaalsContact O-CG 3.3Å; H63-M67 WeakPolarHBondContact O-CG 3.49Å; H63-M67 PolarHBondContact O-N 3.04Å; I64-M67 PolarHBondContact O-N 2.83Å; M67-F69 VanDerWaalsContact C-N 3.3Å; M67-F69 PolarHBondContact O-N 3.29Å; M67-L70 PolarHBondContact O-N 3.37Å; M67-M71 WeakPolarHBondContact O-CB 3.5Å; M67-M71 PolarHBondContact O-N 3.28Å
68L79.1Confident77.1Confident37 Ų3768.3 Ų68.319%0.19435%0.348CS..Hα-helixtrans-64.1-39.3176.2-166.3150.3000111.2M27 I64 T65 M71 I72M27-L68 HydrophobicContact CE-CD1 4.12Å; M27-L68 HydrophobicContact CG-CD1 3.87Å; M27-L68 HydrophobicContact SD-CD1 3.22Å; M27-L68 WeakPolarHBondContact SD-CD1 2.9Å; I64-L68 WeakPolarHBondContact O-CB 3.21Å; I64-L68 PolarHBondContact O-N 3.48Å; T65-L68 PolarHBondContact O-N 2.92Å; L68-M71 PolarHBondContact O-N 2.82Å; L68-I72 HydrophobicContact CD2-CD1 3.4Å; L68-I72 HydrophobicContact CD2-CG1 4Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 2.98Å
69F76.8Confident77.4Confident12 Ų1260.8 Ų60.85%0.05332%0.318CS..Hα-helixtrans-54.7-55.6173.2-173.6-120.4000112.8T65 V66 M67 M71 I72 L73 W121 V359 L362 F363 I366T65-F69 WeakPolarHBondContact O-CB 3.28Å; T65-F69 PolarHBondContact O-N 3.15Å; V66-F69 VanDerWaalsContact O-CB 3.23Å; V66-F69 WeakPolarHBondContact O-CB 3.39Å; V66-F69 PolarHBondContact O-N 2.83Å; M67-F69 VanDerWaalsContact C-N 3.3Å; M67-F69 PolarHBondContact O-N 3.29Å; F69-M71 PolarHBondContact O-N 3.01Å; F69-I72 PolarHBondContact O-N 2.89Å; F69-L73 HydrophobicContact CD1-CD1 3.69Å; F69-L73 HydrophobicContact CE1-CD1 3.34Å; F69-L73 HydrophobicContact CE1-CG 4.37Å; F69-L73 HydrophobicContact CE2-CD1 4.41Å; F69-L73 HydrophobicContact CG-CD1 4.36Å; F69-L73 HydrophobicContact CZ-CD1 3.75Å; F69-L73 HydrophobicContact CZ-CG 4.41Å; F69-L73 PolarHBondContact O-N 3.49Å; F69-W121 HydrophobicContact CB-CH2 3.53Å; F69-W121 HydrophobicContact CB-CZ3 3.67Å; F69-W121 HydrophobicContact CD1-CZ3 4.04Å; F69-W121 HydrophobicContact CD2-CE3 4.25Å; F69-W121 AromaticContact CD2-CH2 3.48Å; F69-W121 HydrophobicContact CD2-CH2 3.48Å; F69-W121 VanDerWaalsContact CD2-CH2 3.48Å; F69-W121 AromaticContact CD2-CZ3 3.17Å; F69-W121 HydrophobicContact CD2-CZ3 3.17Å; F69-W121 HydrophobicContact CE1-CZ3 4.46Å; F69-W121 HydrophobicContact CE2-CE3 4.38Å; F69-W121 HydrophobicContact CE2-CH2 4.34Å; F69-W121 AromaticContact CE2-CZ3 3.67Å; F69-W121 HydrophobicContact CE2-CZ3 3.67Å; F69-W121 AromaticContact CG-CH2 3.7Å; F69-W121 HydrophobicContact CG-CH2 3.7Å; F69-W121 AromaticContact CG-CZ3 3.36Å; F69-W121 HydrophobicContact CG-CZ3 3.36Å; F69-W121 HydrophobicContact CZ-CZ3 4.3Å; F69-V359 HydrophobicContact CE1-CG1 4.16Å; F69-V359 HydrophobicContact CE1-CG2 4.15Å; F69-L362 HydrophobicContact CE2-CD1 3.64Å; F69-L362 HydrophobicContact CE2-CD2 3.39Å; F69-L362 HydrophobicContact CE2-CG 4.08Å; F69-L362 HydrophobicContact CZ-CB 4.25Å; F69-L362 HydrophobicContact CZ-CD1 3.85Å; F69-L362 HydrophobicContact CZ-CD2 3.63Å; F69-L362 HydrophobicContact CZ-CG 4.1Å; F69-F363 HydrophobicContact CE1-CE2 4.31Å; F69-F363 HydrophobicContact CZ-CE2 4.5Å; F69-I366 HydrophobicContact CE2-CD1 4.46Å
70L80.2Confident77.6Confident52 Ų5256.5 Ų56.527%0.27230%0.296SS..Hα-helixtrans-63.6-36.3-178.2-69.6171.7000110.1V66 M67 L73 I74 V355 V359V66-L70 HydrophobicContact CG1-CD1 4.16Å; V66-L70 WeakPolarHBondContact O-CG 3.41Å; V66-L70 PolarHBondContact O-N 3.49Å; M67-L70 PolarHBondContact O-N 3.37Å; L70-L73 HydrophobicContact CD2-CD1 4.21Å; L70-L73 WeakPolarHBondContact O-CB 3.12Å; L70-L73 PolarHBondContact O-N 2.93Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.08Å; L70-I74 PolarHBondContact O-N 3.43Å; L70-V355 HydrophobicContact CD2-CG1 4.31Å; L70-V359 HydrophobicContact CD2-CG2 3.93Å
71M79.9Confident77.5Confident64 Ų6457.7 Ų57.732%0.31530%0.303SS..Hα-helixtrans-64.4-43.4175.1-161.4-173.8-4900112.3I23 M67 L68 F69 I74 C75I23-M71 HydrophobicContact CD1-CG 3.95Å; I23-M71 HydrophobicContact CD1-SD 3.6Å; I23-M71 HydrophobicContact CG1-CG 4.34Å; I23-M71 HydrophobicContact CG1-SD 3.32Å; I23-M71 WeakPolarHBondContact CG1-SD 3.42Å; M67-M71 WeakPolarHBondContact O-CB 3.5Å; M67-M71 PolarHBondContact O-N 3.28Å; L68-M71 PolarHBondContact O-N 2.82Å; F69-M71 PolarHBondContact O-N 3.01Å; M71-I74 PolarHBondContact O-N 3.31Å; M71-C75 PolarHBondContact O-N 3.47Å; M71-C75 PolarHBondContact O-SG 2.94Å
72I81.2Confident77.6Confident61 Ų6157.8 Ų57.831%0.31330%0.295SS..Hα-helixtrans-61.2-46.8173.7-73177.5000110.1L68 F69 I74 C75 L76L68-I72 HydrophobicContact CD2-CD1 3.4Å; L68-I72 HydrophobicContact CD2-CG1 4Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 2.98Å; F69-I72 PolarHBondContact O-N 2.89Å; I72-I74 VanDerWaalsContact C-N 3.33Å; I72-I74 PolarHBondContact O-N 2.86Å; I72-C75 WeakPolarHBondContact O-CB 3.49Å; I72-C75 PolarHBondContact O-N 3.47Å; I72-C75 VanDerWaalsContact O-N 3.13Å; I72-L76 HydrophobicContact CG2-CD1 3.67Å; I72-L76 HydrophobicContact CG2-CG 4.16Å; I72-L76 WeakPolarHBondContact O-CB 3.36Å; I72-L76 VanDerWaalsContact O-CG 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.32Å; I72-L76 PolarHBondContact O-N 3.45Å
73L81Confident77.9Confident7 Ų758.1 Ų58.14%0.03729%0.294CS..Hα-helixtrans-55.6-45.9176.7-85.3170000112.4F69 L70 L76 K77 L96 A358 V359 L362F69-L73 HydrophobicContact CD1-CD1 3.69Å; F69-L73 HydrophobicContact CE1-CD1 3.34Å; F69-L73 HydrophobicContact CE1-CG 4.37Å; F69-L73 HydrophobicContact CE2-CD1 4.41Å; F69-L73 HydrophobicContact CG-CD1 4.36Å; F69-L73 HydrophobicContact CZ-CD1 3.75Å; F69-L73 HydrophobicContact CZ-CG 4.41Å; F69-L73 PolarHBondContact O-N 3.49Å; L70-L73 HydrophobicContact CD2-CD1 4.21Å; L70-L73 WeakPolarHBondContact O-CB 3.12Å; L70-L73 PolarHBondContact O-N 2.93Å; L73-L76 WeakPolarHBondContact O-CB 3.09Å; L73-L76 PolarHBondContact O-N 3.35Å; L73-K77 PolarHBondContact O-N 3.09Å; L73-L96 HydrophobicContact CD2-CD2 4.06Å; L73-A358 HydrophobicContact CD2-CB 4.24Å; L73-V359 HydrophobicContact CD1-CB 4.46Å; L73-V359 HydrophobicContact CD1-CG2 3.54Å; L73-L362 HydrophobicContact CD1-CD1 4.43Å; L73-L362 HydrophobicContact CD2-CB 4.23Å; L73-L362 HydrophobicContact CD2-CD1 3.34Å; L73-L362 HydrophobicContact CD2-CG 4.39Å; L73-L362 HydrophobicContact CG-CD1 3.8Å
74I80.9Confident77.6Confident93 Ų9356.8 Ų56.848%0.47730%0.295SS..Hα-helixtrans-62-46.5176.2-67.8163.7000110L70 M71 I72 L76 K77 L78L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.08Å; L70-I74 PolarHBondContact O-N 3.43Å; M71-I74 PolarHBondContact O-N 3.31Å; I72-I74 VanDerWaalsContact C-N 3.33Å; I72-I74 PolarHBondContact O-N 2.86Å; I74-L76 VanDerWaalsContact C-N 3.26Å; I74-L76 PolarHBondContact O-N 2.96Å; I74-K77 PolarHBondContact O-N 3.22Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.41Å; I74-L78 VanDerWaalsContact O-CG 3.27Å; I74-L78 WeakPolarHBondContact O-CG 3.34Å; I74-L78 PolarHBondContact O-N 3.4Å
75C81Confident77.3Confident20 Ų2063.2 Ų63.214%0.13532%0.317CS..Hα-helixtrans-59.6-38.2177.3-67.40000112.1M71 I72 L78 A79M71-C75 PolarHBondContact O-N 3.47Å; M71-C75 PolarHBondContact O-SG 2.94Å; I72-C75 WeakPolarHBondContact O-CB 3.49Å; I72-C75 PolarHBondContact O-N 3.47Å; I72-C75 VanDerWaalsContact O-N 3.13Å; C75-L78 PolarHBondContact O-N 3.32Å; C75-A79 WeakPolarHBondContact O-CB 3.46Å; C75-A79 PolarHBondContact O-N 2.96Å
76L80.4Confident77.1Confident44 Ų4464.1 Ų64.123%0.2332%0.32CS..Hα-helixtrans-67.1-45.6177.2-71.8167.2000112I72 L73 I74 L78 A79 Y80 I99I72-L76 HydrophobicContact CG2-CD1 3.67Å; I72-L76 HydrophobicContact CG2-CG 4.16Å; I72-L76 WeakPolarHBondContact O-CB 3.36Å; I72-L76 VanDerWaalsContact O-CG 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.32Å; I72-L76 PolarHBondContact O-N 3.45Å; L73-L76 WeakPolarHBondContact O-CB 3.09Å; L73-L76 PolarHBondContact O-N 3.35Å; I74-L76 VanDerWaalsContact C-N 3.26Å; I74-L76 PolarHBondContact O-N 2.96Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.38Å; L76-A79 PolarHBondContact O-N 3.45Å; L76-Y80 PolarHBondContact O-N 3.37Å; L76-I99 HydrophobicContact CD1-CD1 4Å; L76-I99 HydrophobicContact CD1-CG2 3.71Å; L76-I99 HydrophobicContact CD2-CD1 3.69Å; L76-I99 HydrophobicContact CG-CD1 4.3Å
77K79.6Confident76.9Confident45 Ų4563.8 Ų63.820%0.19632%0.32CS..Hα-helixtrans-59.9-43.6174.2-80.9-153.9179.6-119.90111.7L73 I74 Y80 H81 E92 E354L73-K77 PolarHBondContact O-N 3.09Å; I74-K77 PolarHBondContact O-N 3.22Å; K77-Y80 PolarHBondContact O-N 3.48Å; K77-H81 PolarHBondContact O-N 2.91Å; K77-E92 WeakPolarHBondContact CE-OE1 3.39Å; K77-E92 IonicContact NZ-OE1 2.97Å; K77-E92 PolarHBondContact NZ-OE1 3.23Å; K77-E354 WeakPolarHBondContact CE-O 3.46Å; K77-E354 PolarHBondContact NZ-O 2.87Å
78L80.2Confident76.5Confident68 Ų6860.8 Ų60.836%0.35631%0.311SS..Hα-helixtrans-61-47175-67.7174.8000110.6F12 L16 I74 C75 L76 Y80 H81 Y82F12-L78 HydrophobicContact CE1-CB 4.23Å; F12-L78 HydrophobicContact CZ-CB 4.05Å; F12-L78 HydrophobicContact CZ-CD1 4.1Å; F12-L78 HydrophobicContact CZ-CD2 3.95Å; F12-L78 HydrophobicContact CZ-CG 4.23Å; L16-L78 HydrophobicContact CD1-CB 3.97Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.41Å; I74-L78 VanDerWaalsContact O-CG 3.27Å; I74-L78 WeakPolarHBondContact O-CG 3.34Å; I74-L78 PolarHBondContact O-N 3.4Å; C75-L78 PolarHBondContact O-N 3.32Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.38Å; L78-Y80 VanDerWaalsContact C-N 3.35Å; L78-Y80 PolarHBondContact O-N 2.99Å; L78-H81 PolarHBondContact O-N 3.15Å; L78-Y82 VanDerWaalsContact O-CD2 3.31Å; L78-Y82 WeakPolarHBondContact O-CD2 3.36Å; L78-Y82 PolarHBondContact O-N 3.37Å
79A77.5Confident76.2Confident25 Ų2567.4 Ų67.421%0.20733%0.334CS..Hα-helixtrans-60.1-42.917800000112.4L16 C75 L76 H81 Y82 I83L16-A79 HydrophobicContact CD1-CB 4.42Å; C75-A79 WeakPolarHBondContact O-CB 3.46Å; C75-A79 PolarHBondContact O-N 2.96Å; L76-A79 PolarHBondContact O-N 3.45Å; A79-H81 VanDerWaalsContact C-N 3.35Å; A79-H81 PolarHBondContact O-N 2.87Å; A79-Y82 PolarHBondContact O-N 3.49Å; A79-Y82 VanDerWaalsContact O-N 3.15Å; A79-I83 HydrophobicContact CB-CD1 4.44Å; A79-I83 WeakPolarHBondContact O-CD1 3.48Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.49Å; A79-I83 PolarHBondContact O-N 2.99Å; A79-I83 VanDerWaalsContact O-N 3.14Å
80Y77Confident76.4Confident36 Ų3669.4 Ų69.414%0.14135%0.345CS..Hα-helixtrans-57.9-44.8178.4177.7-106.6000112.3L76 K77 L78 Y82 I83 I86 S87 E92 L95L76-Y80 PolarHBondContact O-N 3.37Å; K77-Y80 PolarHBondContact O-N 3.48Å; L78-Y80 VanDerWaalsContact C-N 3.35Å; L78-Y80 PolarHBondContact O-N 2.99Å; Y80-Y82 VanDerWaalsContact C-N 3.25Å; Y80-Y82 PolarHBondContact O-N 2.79Å; Y80-I83 PolarHBondContact O-N 2.83Å; Y80-I86 HydrophobicContact CD2-CG2 4.4Å; Y80-I86 HydrophobicContact CE2-CG2 4.39Å; Y80-S87 PolarHBondContact OH-OG 3.24Å; Y80-E92 HydrophobicContact CD1-CG 4.27Å; Y80-E92 HydrophobicContact CE1-CB 3.92Å; Y80-E92 HydrophobicContact CE1-CG 4.16Å; Y80-L95 HydrophobicContact CD2-CD2 3.51Å; Y80-L95 HydrophobicContact CE2-CD2 4.22Å; Y80-L95 HydrophobicContact CG-CD2 4.28Å
81H75.1Confident76.4Confident129 Ų12968 Ų6860%0.59734%0.339SS*.Hα-helixtrans-64.1-30178.9-166.580.6000113.3K77 L78 A79K77-H81 PolarHBondContact O-N 2.91Å; L78-H81 PolarHBondContact O-N 3.15Å; A79-H81 VanDerWaalsContact C-N 3.35Å; A79-H81 PolarHBondContact O-N 2.87Å
82Y73.9Confident76.5Confident62 Ų6267.9 Ų67.924%0.24334%0.338CS..Hα-helixtrans-89.9-10.4-178.2-84.6-86.1000114.5H9 F12 L78 A79 Y80 P84H9-Y82 AromaticContact CE1-CD1 3.88Å; H9-Y82 AromaticContact ND1-CD1 3.66Å; F12-Y82 HydrophobicContact CB-CE1 3.73Å; F12-Y82 HydrophobicContact CB-CE2 4.39Å; F12-Y82 HydrophobicContact CD1-CD1 4.05Å; F12-Y82 AromaticContact CD1-CD2 3.44Å; F12-Y82 HydrophobicContact CD1-CD2 3.44Å; F12-Y82 VanDerWaalsContact CD1-CD2 3.44Å; F12-Y82 AromaticContact CD1-CE1 3.75Å; F12-Y82 HydrophobicContact CD1-CE1 3.75Å; F12-Y82 AromaticContact CD1-CE2 3.12Å; F12-Y82 HydrophobicContact CD1-CE2 3.12Å; F12-Y82 AromaticContact CD1-CG 3.9Å; F12-Y82 HydrophobicContact CD1-CG 3.9Å; F12-Y82 AromaticContact CD1-CZ 3.26Å; F12-Y82 AromaticContact CD2-CE2 3.78Å; F12-Y82 HydrophobicContact CD2-CE2 3.78Å; F12-Y82 AromaticContact CD2-CZ 3.56Å; F12-Y82 WeakPolarHBondContact CD2-OH 3.25Å; F12-Y82 AromaticContact CE1-CD2 3.32Å; F12-Y82 HydrophobicContact CE1-CD2 3.32Å; F12-Y82 AromaticContact CE1-CE2 3.07Å; F12-Y82 HydrophobicContact CE1-CE2 3.07Å; F12-Y82 HydrophobicContact CE1-CG 4.16Å; F12-Y82 AromaticContact CE1-CZ 3.74Å; F12-Y82 AromaticContact CE2-CE2 3.73Å; F12-Y82 HydrophobicContact CE2-CE2 3.73Å; F12-Y82 AromaticContact CE2-CZ 3.99Å; F12-Y82 HydrophobicContact CG-CD1 4.47Å; F12-Y82 HydrophobicContact CG-CD2 4.23Å; F12-Y82 AromaticContact CG-CE1 3.73Å; F12-Y82 HydrophobicContact CG-CE1 3.73Å; F12-Y82 AromaticContact CG-CE2 3.48Å; F12-Y82 HydrophobicContact CG-CE2 3.48Å; F12-Y82 VanDerWaalsContact CG-CE2 3.48Å; F12-Y82 AromaticContact CG-CZ 3.16Å; F12-Y82 WeakPolarHBondContact CG-OH 3.39Å; F12-Y82 HydrophobicContact CZ-CD2 4.02Å; F12-Y82 AromaticContact CZ-CE2 3.39Å; F12-Y82 HydrophobicContact CZ-CE2 3.39Å; L78-Y82 VanDerWaalsContact O-CD2 3.31Å; L78-Y82 WeakPolarHBondContact O-CD2 3.36Å; L78-Y82 PolarHBondContact O-N 3.37Å; A79-Y82 PolarHBondContact O-N 3.49Å; A79-Y82 VanDerWaalsContact O-N 3.15Å; Y80-Y82 VanDerWaalsContact C-N 3.25Å; Y80-Y82 PolarHBondContact O-N 2.79Å; Y82-P84 WeakPolarHBondContact O-CD 3.19Å
83I77.7Confident76.6Confident71 Ų7165.3 Ų65.336%0.36433%0.325SS..  trans-106.886.2179.9-56.1163000109A79 Y80 Y85 I86 S87A79-I83 HydrophobicContact CB-CD1 4.44Å; A79-I83 WeakPolarHBondContact O-CD1 3.48Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.49Å; A79-I83 PolarHBondContact O-N 2.99Å; A79-I83 VanDerWaalsContact O-N 3.14Å; Y80-I83 PolarHBondContact O-N 2.83Å; I83-Y85 VanDerWaalsContact C-N 3.26Å; I83-Y85 PolarHBondContact O-N 3.21Å; I83-I86 HydrophobicContact CB-CD1 4.29Å; I83-I86 HydrophobicContact CD1-CD1 4.21Å; I83-I86 HydrophobicContact CG2-CB 4.13Å; I83-I86 HydrophobicContact CG2-CD1 3.62Å; I83-I86 HydrophobicContact CG2-CG1 3.67Å; I83-I86 PolarHBondContact O-N 3.09Å; I83-S87 PolarHBondContact O-N 2.77Å
84P67.9Low76.9Confident89 Ų8965.8 Ų65.858%0.57833%0.328SS*.Hα-helixtrans-63.1-30.6-172.724.4-34.7000113.2Y82 I86 S88Y82-P84 WeakPolarHBondContact O-CD 3.19Å; P84-I86 PolarHBondContact O-N 2.75Å; P84-S88 PolarHBondContact O-N 3.47Å
85Y70.4Confident77.2Confident194 Ų19463.2 Ų63.276%0.76132%0.315SS*.Hα-helixtrans-62.4-40.5179.4-69.1-76.9000112.7I83 Y89I83-Y85 VanDerWaalsContact C-N 3.26Å; I83-Y85 PolarHBondContact O-N 3.21Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.43Å
86I70.5Confident77.6Confident60 Ų6062.6 Ų62.631%0.30831%0.31SS..Hα-helixtrans-73.1-46.2-177.7-65.2174.7000110.1Y80 I83 P84 S88 Y89 I90 L95Y80-I86 HydrophobicContact CD2-CG2 4.4Å; Y80-I86 HydrophobicContact CE2-CG2 4.39Å; I83-I86 HydrophobicContact CB-CD1 4.29Å; I83-I86 HydrophobicContact CD1-CD1 4.21Å; I83-I86 HydrophobicContact CG2-CB 4.13Å; I83-I86 HydrophobicContact CG2-CD1 3.62Å; I83-I86 HydrophobicContact CG2-CG1 3.67Å; I83-I86 PolarHBondContact O-N 3.09Å; P84-I86 PolarHBondContact O-N 2.75Å; I86-S88 PolarHBondContact O-N 3.05Å; I86-S88 VanDerWaalsContact O-N 3.12Å; I86-Y89 PolarHBondContact O-N 2.92Å; I86-Y89 VanDerWaalsContact O-N 3.14Å; I86-I90 HydrophobicContact CG2-CB 4.42Å; I86-I90 PolarHBondContact O-N 2.92Å; I86-L95 HydrophobicContact CG2-CD2 4.35Å
87S68.2Low78Confident51 Ų5160.5 Ų60.536%0.35730%0.299SS..Hα-helixtrans-61.3-22.7-178.3179.20000113.5Y80 I83Y80-S87 PolarHBondContact OH-OG 3.24Å; I83-S87 PolarHBondContact O-N 2.77Å
88S68.8Low78.5Confident56 Ų5662.1 Ų62.139%0.39231%0.309SS..Hα-helixtrans-71.1-34.9177.4-168.40000113.6P84 I86 K473P84-S88 PolarHBondContact O-N 3.47Å; I86-S88 PolarHBondContact O-N 3.05Å; I86-S88 VanDerWaalsContact O-N 3.12Å; S88-K473 PolarHBondContact O-NZ 3.14Å
89Y72.8Confident78.9Confident176 Ų17660.5 Ų60.569%0.6930%0.301SS*.Hα-helixtrans-108.5-38.9-170.5-70-82.4000114Y85 I86Y85-Y89 WeakPolarHBondContact O-CD2 3.43Å; I86-Y89 PolarHBondContact O-N 2.92Å; I86-Y89 VanDerWaalsContact O-N 3.14Å
90I80.5Confident79.4Confident54 Ų5459.3 Ų59.328%0.27729%0.291SS..SBendtrans-108.8123.4-171.6-63.9174000108.8I86 L94 L95I86-I90 HydrophobicContact CG2-CB 4.42Å; I86-I90 PolarHBondContact O-N 2.92Å; I90-L94 HydrophobicContact CG2-CB 4.19Å; I90-L94 HydrophobicContact CG2-CD2 4.17Å; I90-L94 HydrophobicContact CG2-CG 4.35Å; I90-L95 HydrophobicContact CG2-CB 4.2Å
91P80.1Confident80Confident22 Ų2259.4 Ų59.414%0.14329%0.293CS..  trans-64.9146.4174.926.8-32.3000110.9S93 L94 L95 A210 I470P91-S93 VanDerWaalsContact C-N 3.28Å; P91-S93 PolarHBondContact O-N 3.34Å; P91-L94 HydrophobicContact CG-CB 3.85Å; P91-L94 PolarHBondContact O-N 3.47Å; P91-L94 VanDerWaalsContact O-N 3.07Å; P91-L95 PolarHBondContact O-N 3.12Å; P91-A210 HydrophobicContact CB-CB 4.42Å; P91-I470 HydrophobicContact CG-CG1 4.49Å
92E81.6Confident80.5Confident62 Ų6257 Ų5729%0.2929%0.288SS..Hα-helixtrans-53.9-44-177-175.9178.2160.900112.2K77 Y80 L94 L95 L96K77-E92 WeakPolarHBondContact CE-OE1 3.39Å; K77-E92 IonicContact NZ-OE1 2.97Å; K77-E92 PolarHBondContact NZ-OE1 3.23Å; Y80-E92 HydrophobicContact CD1-CG 4.27Å; Y80-E92 HydrophobicContact CE1-CB 3.92Å; Y80-E92 HydrophobicContact CE1-CG 4.16Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 3.1Å; E92-L95 WeakPolarHBondContact O-CB 3.17Å; E92-L95 PolarHBondContact O-N 3.21Å; E92-L96 HydrophobicContact CG-CD1 4.04Å; E92-L96 WeakPolarHBondContact O-CG 3.2Å; E92-L96 PolarHBondContact O-N 3.03Å
93S83.7Confident80.9Confident8 Ų856.8 Ų56.86%0.05629%0.288CS..Hα-helixtrans-57.7-41.9178.7-45.10000112.6P91 L96 I97 F361P91-S93 VanDerWaalsContact C-N 3.28Å; P91-S93 PolarHBondContact O-N 3.34Å; S93-L96 PolarHBondContact O-N 3.01Å; S93-I97 VanDerWaalsContact O-CG1 3.26Å; S93-I97 WeakPolarHBondContact O-CG1 3.44Å; S93-I97 PolarHBondContact O-N 3.1Å; S93-F361 WeakPolarHBondContact OG-CE2 3.18Å
94L86.9Confident81.1Confident16 Ų1653.4 Ų53.48%0.08427%0.271CS..Hα-helixtrans-68.7-40.4178.9-178.163000111.5I90 P91 E92 L96 I97 L98 V465 I470I90-L94 HydrophobicContact CG2-CB 4.19Å; I90-L94 HydrophobicContact CG2-CD2 4.17Å; I90-L94 HydrophobicContact CG2-CG 4.35Å; P91-L94 HydrophobicContact CG-CB 3.85Å; P91-L94 PolarHBondContact O-N 3.47Å; P91-L94 VanDerWaalsContact O-N 3.07Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 3.1Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 3.45Å; L94-I97 PolarHBondContact O-N 3.05Å; L94-L98 HydrophobicContact CD1-CG 4.49Å; L94-L98 HydrophobicContact CG-CD1 4.27Å; L94-L98 HydrophobicContact CG-CG 4.48Å; L94-L98 WeakPolarHBondContact O-CG 3.22Å; L94-L98 PolarHBondContact O-N 3.07Å; L94-V465 HydrophobicContact CB-CG1 4.46Å; L94-I470 HydrophobicContact CD2-CD1 3.6Å; L94-I470 HydrophobicContact CD2-CG1 4Å
95L87.9Confident81.9Confident39 Ų3951.8 Ų51.820%0.20426%0.262CS..Hα-helixtrans-59.5-44.5176-18066.5000110.9Y80 I86 I90 P91 E92 L98 I99Y80-L95 HydrophobicContact CD2-CD2 3.51Å; Y80-L95 HydrophobicContact CE2-CD2 4.22Å; Y80-L95 HydrophobicContact CG-CD2 4.28Å; I86-L95 HydrophobicContact CG2-CD2 4.35Å; I90-L95 HydrophobicContact CG2-CB 4.2Å; P91-L95 PolarHBondContact O-N 3.12Å; E92-L95 WeakPolarHBondContact O-CB 3.17Å; E92-L95 PolarHBondContact O-N 3.21Å; L95-L98 PolarHBondContact O-N 3.4Å; L95-I99 HydrophobicContact CD1-CD1 4.12Å; L95-I99 HydrophobicContact CD2-CD1 4.49Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 WeakPolarHBondContact O-CD1 3.45Å; L95-I99 VanDerWaalsContact O-CG1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.91Å
96L88.7Confident82.4Confident7 Ų747 Ų474%0.03725%0.249CC..Hα-helixtrans-64-40.5177.7-70.9165.7000112.4L73 E92 S93 L94 I99 G100 A358 F361L73-L96 HydrophobicContact CD2-CD2 4.06Å; E92-L96 HydrophobicContact CG-CD1 4.04Å; E92-L96 WeakPolarHBondContact O-CG 3.2Å; E92-L96 PolarHBondContact O-N 3.03Å; S93-L96 PolarHBondContact O-N 3.01Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 3.45Å; L96-I99 PolarHBondContact O-N 3.19Å; L96-G100 PolarHBondContact O-N 3.26Å; L96-A358 HydrophobicContact CD1-CB 3.81Å; L96-A358 HydrophobicContact CD2-CB 4.41Å; L96-F361 HydrophobicContact CB-CB 3.93Å; L96-F361 HydrophobicContact CD1-CB 4.41Å
97I89.4Confident82.7Confident0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-61.4-48.9173.7-67.3165.2000110.2S93 L94 I99 G100 I101 F361 L364 G365 L462 V465S93-I97 VanDerWaalsContact O-CG1 3.26Å; S93-I97 WeakPolarHBondContact O-CG1 3.44Å; S93-I97 PolarHBondContact O-N 3.1Å; L94-I97 PolarHBondContact O-N 3.05Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 PolarHBondContact O-N 3.36Å; I97-G100 PolarHBondContact O-N 2.98Å; I97-G100 VanDerWaalsContact O-N 3.13Å; I97-I101 HydrophobicContact CG2-CD1 3.96Å; I97-I101 HydrophobicContact CG2-CG1 4.45Å; I97-I101 VanDerWaalsContact O-CG1 3.31Å; I97-I101 WeakPolarHBondContact O-CG1 3.37Å; I97-I101 PolarHBondContact O-N 3.18Å; I97-F361 HydrophobicContact CD1-CD1 4.08Å; I97-F361 HydrophobicContact CG1-CB 4.15Å; I97-F361 HydrophobicContact CG1-CD1 4.25Å; I97-F361 WeakPolarHBondContact CG1-O 3.17Å; I97-L364 HydrophobicContact CD1-CD2 4.18Å; I97-L364 HydrophobicContact CG1-CD2 4.15Å; I97-L364 HydrophobicContact CG2-CD2 4.12Å; I97-G365 WeakPolarHBondContact O-CA 3.32Å; I97-L462 HydrophobicContact CG2-CD1 3.97Å; I97-V465 HydrophobicContact CD1-CG1 4.08Å
98L90.1Very high82.9Confident79 Ų7948.8 Ų48.841%0.41425%0.25SC..Hα-helixtrans-59.8-41.6178.6-71.2173.5000111.8L94 L95 I101 T102L94-L98 HydrophobicContact CD1-CG 4.49Å; L94-L98 HydrophobicContact CG-CD1 4.27Å; L94-L98 HydrophobicContact CG-CG 4.48Å; L94-L98 WeakPolarHBondContact O-CG 3.22Å; L94-L98 PolarHBondContact O-N 3.07Å; L95-L98 PolarHBondContact O-N 3.4Å; L98-I101 WeakPolarHBondContact O-CB 3.4Å; L98-I101 PolarHBondContact O-N 3.35Å; L98-T102 WeakPolarHBondContact O-CG2 3.08Å; L98-T102 PolarHBondContact O-N 3.27Å
99I88.2Confident83.3Confident35 Ų3555.5 Ų55.518%0.17927%0.268CS..Hα-helixtrans-64.5-44.1175.4-67158.8000110.7L76 L95 L96 I97 I101 T102 F103L76-I99 HydrophobicContact CD1-CD1 4Å; L76-I99 HydrophobicContact CD1-CG2 3.71Å; L76-I99 HydrophobicContact CD2-CD1 3.69Å; L76-I99 HydrophobicContact CG-CD1 4.3Å; L95-I99 HydrophobicContact CD1-CD1 4.12Å; L95-I99 HydrophobicContact CD2-CD1 4.49Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 WeakPolarHBondContact O-CD1 3.45Å; L95-I99 VanDerWaalsContact O-CG1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.91Å; L96-I99 PolarHBondContact O-N 3.19Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 PolarHBondContact O-N 3.36Å; I99-I101 VanDerWaalsContact C-N 3.28Å; I99-I101 PolarHBondContact O-N 3.3Å; I99-T102 WeakPolarHBondContact CA-OG1 2.97Å; I99-T102 PolarHBondContact O-N 3.11Å; I99-T102 VanDerWaalsContact O-N 3.15Å; I99-T102 PolarHBondContact O-OG1 3.43Å; I99-F103 WeakPolarHBondContact O-CB 3.48Å; I99-F103 PolarHBondContact O-N 3.17Å
100G88.1Confident83.2Confident0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-56.8-41.3174.300000112.6L96 I97 F103 G104 G365 I366L96-G100 PolarHBondContact O-N 3.26Å; I97-G100 PolarHBondContact O-N 2.98Å; I97-G100 VanDerWaalsContact O-N 3.13Å; G100-F103 PolarHBondContact O-N 3.39Å; G100-G104 PolarHBondContact O-N 3.23Å; G100-G365 VanDerWaalsContact C-C 3.44Å; G100-I366 WeakPolarHBondContact O-CG1 3.37Å
101I89.4Confident82.6Confident37 Ų3755.9 Ų55.919%0.1927%0.274CS..Hα-helixtrans-61.9-52.2173.3-66.4168.5000109.6I97 L98 I99 F103 G104 S105 G365 V368 I369I97-I101 HydrophobicContact CG2-CD1 3.96Å; I97-I101 HydrophobicContact CG2-CG1 4.45Å; I97-I101 VanDerWaalsContact O-CG1 3.31Å; I97-I101 WeakPolarHBondContact O-CG1 3.37Å; I97-I101 PolarHBondContact O-N 3.18Å; L98-I101 WeakPolarHBondContact O-CB 3.4Å; L98-I101 PolarHBondContact O-N 3.35Å; I99-I101 VanDerWaalsContact C-N 3.28Å; I99-I101 PolarHBondContact O-N 3.3Å; I101-F103 VanDerWaalsContact C-N 3.29Å; I101-F103 PolarHBondContact O-N 3.43Å; I101-G104 PolarHBondContact O-N 2.9Å; I101-S105 PolarHBondContact O-N 2.88Å; I101-S105 PolarHBondContact O-OG 2.67Å; I101-G365 WeakPolarHBondContact CA-O 3.06Å; I101-G365 WeakPolarHBondContact CG1-O 3.48Å; I101-V368 HydrophobicContact CD1-CG2 4.08Å; I101-V368 HydrophobicContact CG1-CB 4.1Å; I101-V368 HydrophobicContact CG1-CG2 3.87Å; I101-I369 HydrophobicContact CB-CD1 4.23Å; I101-I369 HydrophobicContact CG2-CD1 3.71Å; I101-I369 HydrophobicContact CG2-CG1 4.44Å; I101-I369 WeakPolarHBondContact O-CD1 3.38Å
102T86.5Confident81.4Confident78 Ų7863.3 Ų63.348%0.47931%0.307SS..Hα-helixtrans-58.8-41.3179.961.10000112.5L98 I99 S105 I106L98-T102 WeakPolarHBondContact O-CG2 3.08Å; L98-T102 PolarHBondContact O-N 3.27Å; I99-T102 WeakPolarHBondContact CA-OG1 2.97Å; I99-T102 PolarHBondContact O-N 3.11Å; I99-T102 VanDerWaalsContact O-N 3.15Å; I99-T102 PolarHBondContact O-OG1 3.43Å; T102-S105 PolarHBondContact O-N 2.82Å; T102-I106 WeakPolarHBondContact O-CD1 3.11Å; T102-I106 VanDerWaalsContact O-CG1 3.23Å; T102-I106 WeakPolarHBondContact O-CG1 3.45Å; T102-I106 PolarHBondContact O-N 3.36Å
103F82.6Confident79.9Confident58 Ų5867.8 Ų67.825%0.25433%0.332SS..Hα-helixtrans-64.7-47.8176.4179.6-97.2000111.4I99 G100 I101 S105 I106 V107 W121 I366I99-F103 WeakPolarHBondContact O-CB 3.48Å; I99-F103 PolarHBondContact O-N 3.17Å; G100-F103 PolarHBondContact O-N 3.39Å; I101-F103 VanDerWaalsContact C-N 3.29Å; I101-F103 PolarHBondContact O-N 3.43Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 3.4Å; F103-I106 PolarHBondContact O-N 2.81Å; F103-V107 HydrophobicContact CD1-CG2 4.16Å; F103-V107 HydrophobicContact CE1-CG2 3.77Å; F103-V107 HydrophobicContact CE2-CG2 4.2Å; F103-V107 HydrophobicContact CZ-CG2 3.79Å; F103-V107 WeakPolarHBondContact O-CG2 3.38Å; F103-V107 PolarHBondContact O-N 3.43Å; F103-W121 HydrophobicContact CE1-CD2 4.39Å; F103-W121 HydrophobicContact CE1-CZ2 4.28Å; F103-W121 HydrophobicContact CZ-CH2 4.3Å; F103-W121 AromaticContact CZ-CZ2 3.91Å; F103-W121 HydrophobicContact CZ-CZ2 3.91Å; F103-I366 HydrophobicContact CD1-CD1 3.75Å; F103-I366 HydrophobicContact CD1-CG1 3.97Å; F103-I366 HydrophobicContact CE1-CD1 4.07Å
104G81.7Confident78.3Confident1 Ų174.3 Ų74.31%0.0136%0.357CS..Hα-helixtrans-55.8-40.117500000112.2G100 I101 V107 F108G100-G104 PolarHBondContact O-N 3.23Å; I101-G104 PolarHBondContact O-N 2.9Å; G104-V107 PolarHBondContact O-N 3.23Å; G104-F108 VanDerWaalsContact O-CB 3.25Å; G104-F108 WeakPolarHBondContact O-CB 3.31Å; G104-F108 PolarHBondContact O-N 2.83Å
105S84Confident76.5Confident55 Ų5577.9 Ų77.939%0.38538%0.379SS..Hα-helixtrans-67.8-43.7179.4-64.10000111.4I101 T102 F103 V107 F108 Y109 I369I101-S105 PolarHBondContact O-N 2.88Å; I101-S105 PolarHBondContact O-OG 2.67Å; T102-S105 PolarHBondContact O-N 2.82Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 3.4Å; S105-V107 VanDerWaalsContact C-N 3.33Å; S105-F108 PolarHBondContact O-N 2.79Å; S105-Y109 WeakPolarHBondContact O-CB 3.31Å; S105-Y109 PolarHBondContact O-N 2.77Å; S105-I369 VanDerWaalsContact N-CD1 3.28Å; S105-I369 WeakPolarHBondContact OG-CD1 3.34Å
106I80.9Confident74.7Confident93 Ų9377.2 Ų77.248%0.47738%0.376SS..Hα-helixtrans-63.2-43.4178.7-67.9162.7000110.4T102 F103 K110T102-I106 WeakPolarHBondContact O-CD1 3.11Å; T102-I106 VanDerWaalsContact O-CG1 3.23Å; T102-I106 WeakPolarHBondContact O-CG1 3.45Å; T102-I106 PolarHBondContact O-N 3.36Å; F103-I106 PolarHBondContact O-N 2.81Å; I106-K110 HydrophobicContact CG2-CD 4.13Å; I106-K110 WeakPolarHBondContact O-CB 3.41Å; I106-K110 WeakPolarHBondContact O-CG 3.43Å; I106-K110 PolarHBondContact O-N 2.78Å; I106-K110 VanDerWaalsContact O-N 3.1Å
107V75.8Confident72.8Confident20 Ų2081.3 Ų81.312%0.12140%0.398CS..Hα-helixtrans-64.1-50.4177.4171.60000110F103 G104 S105 Y109 K110 I111F103-V107 HydrophobicContact CD1-CG2 4.16Å; F103-V107 HydrophobicContact CE1-CG2 3.77Å; F103-V107 HydrophobicContact CE2-CG2 4.2Å; F103-V107 HydrophobicContact CZ-CG2 3.79Å; F103-V107 WeakPolarHBondContact O-CG2 3.38Å; F103-V107 PolarHBondContact O-N 3.43Å; G104-V107 PolarHBondContact O-N 3.23Å; S105-V107 VanDerWaalsContact C-N 3.33Å; V107-Y109 VanDerWaalsContact C-N 3.35Å; V107-Y109 PolarHBondContact O-N 3.24Å; V107-K110 PolarHBondContact O-N 2.77Å; V107-I111 HydrophobicContact CG1-CD1 3.97Å; V107-I111 WeakPolarHBondContact O-CB 3.38Å; V107-I111 PolarHBondContact O-N 3.36Å
108F74.3Confident70.6Confident129 Ų12987 Ų8757%0.56643%0.429SS*.Hα-helixtrans-58.7-43.4-179.4-173.4-95.5000112.6G104 S105 I116 I369G104-F108 VanDerWaalsContact O-CB 3.25Å; G104-F108 WeakPolarHBondContact O-CB 3.31Å; G104-F108 PolarHBondContact O-N 2.83Å; S105-F108 PolarHBondContact O-N 2.79Å; F108-I116 HydrophobicContact CB-CD1 4.41Å; F108-I116 HydrophobicContact CD2-CD1 4.01Å; F108-I369 HydrophobicContact CB-CG2 3.89Å; F108-I369 HydrophobicContact CD2-CG2 4.42Å; F108-I369 HydrophobicContact CG-CG2 4.08Å
109Y76.1Confident68.8Low196 Ų19684.7 Ų84.777%0.76942%0.418SS*.Hα-helixtrans-72.5-39.1-179.2-172.6-97.7000113.4S105 V107S105-Y109 WeakPolarHBondContact O-CB 3.31Å; S105-Y109 PolarHBondContact O-N 2.77Å; V107-Y109 VanDerWaalsContact C-N 3.35Å; V107-Y109 PolarHBondContact O-N 3.24Å
110K71.4Confident67.3Low165 Ų16585.8 Ų85.872%0.71743%0.426SS*.Hα-helixtrans-79.1-24.3-177.7-74.4-174.8176.9-178.40113.5I106 V107I106-K110 HydrophobicContact CG2-CD 4.13Å; I106-K110 WeakPolarHBondContact O-CB 3.41Å; I106-K110 WeakPolarHBondContact O-CG 3.43Å; I106-K110 PolarHBondContact O-N 2.78Å; I106-K110 VanDerWaalsContact O-N 3.1Å; V107-K110 PolarHBondContact O-N 2.77Å
111I66.6Low66Low74 Ų7487.5 Ų87.538%0.37943%0.432SS..  trans-108.360.3-176-71.9148.1000108.3V107 N113 Y114V107-I111 HydrophobicContact CG1-CD1 3.97Å; V107-I111 WeakPolarHBondContact O-CB 3.38Å; V107-I111 PolarHBondContact O-N 3.36Å; I111-N113 PolarHBondContact O-N 3.05Å; I111-N113 VanDerWaalsContact O-N 3.07Å; I111-Y114 VanDerWaalsContact CG2-CB 3.5Å; I111-Y114 WeakPolarHBondContact CG2-O 3.5Å
112E54.8Low64.9Low177 Ų17790 Ų9083%0.82744%0.442SS*.THydrogen-bonded Turntrans-63-14.1179.8-158.7172-170.400113
113N51.9Low64.3Low156 Ų15686.7 Ų86.783%0.83442%0.421SS*.THydrogen-bonded Turntrans-117.6-1-173.1-73.3-23000116.2I111I111-N113 PolarHBondContact O-N 3.05Å; I111-N113 VanDerWaalsContact O-N 3.07Å
114Y48.3Very low63.8Low146 Ų14686.4 Ų86.457%0.57342%0.424SS*.SBendtrans-124.2115.1176-123-101.6000108I111 I116 N118I111-Y114 VanDerWaalsContact CG2-CB 3.5Å; I111-Y114 WeakPolarHBondContact CG2-O 3.5Å; Y114-I116 PolarHBondContact O-N 2.73Å; Y114-I116 VanDerWaalsContact O-N 3.16Å; Y114-N118 HydrophobicContact CD1-CB 4.01Å; Y114-N118 HydrophobicContact CE1-CB 3.74Å
115T49Very low63.3Low90 Ų9088.5 Ų88.555%0.55244%0.437SS*.  trans-52.5128168.246.70000107.7D117 N118T115-D117 PolarHBondContact O-N 3.4Å; T115-N118 PolarHBondContact O-N 3.25Å
116I50.9Low63.1Low25 Ų2588.9 Ų88.913%0.12844%0.44CS..G310 helixtrans-51.5-19.2171.8-64.6175000109.8F108 Y114 N118 T119F108-I116 HydrophobicContact CB-CD1 4.41Å; F108-I116 HydrophobicContact CD2-CD1 4.01Å; Y114-I116 PolarHBondContact O-N 2.73Å; Y114-I116 VanDerWaalsContact O-N 3.16Å; I116-N118 PolarHBondContact O-N 2.93Å; I116-N118 VanDerWaalsContact O-N 3.13Å; I116-T119 WeakPolarHBondContact CA-OG1 3.25Å; I116-T119 VanDerWaalsContact CG2-OG1 3.31Å; I116-T119 WeakPolarHBondContact CG2-OG1 3.43Å; I116-T119 WeakPolarHBondContact O-CA 3.37Å; I116-T119 WeakPolarHBondContact O-CB 3.45Å; I116-T119 PolarHBondContact O-N 3.26Å; I116-T119 PolarHBondContact O-OG1 3.36Å
117D48.6Very low63.2Low93 Ų9387 Ų8750%0.49743%0.43SS..G310 helixtrans-49.1-32.4171.9-65.9-44.8000116.8T115 K122T115-D117 PolarHBondContact O-N 3.4Å; D117-K122 VanDerWaalsContact CA-CE 3.46Å; D117-K122 VanDerWaalsContact CB-NZ 3.29Å; D117-K122 WeakPolarHBondContact O-CD 3.27Å; D117-K122 WeakPolarHBondContact O-CE 3.45Å; D117-K122 PolarHBondContact O-NZ 3.11Å; D117-K122 VanDerWaalsContact OD1-CE 3.31Å; D117-K122 WeakPolarHBondContact OD1-CE 3.17Å; D117-K122 IonicContact OD1-NZ 2.88Å; D117-K122 PolarHBondContact OD1-NZ 2.75Å
118N43.9Very low63.7Low121 Ų12186.4 Ų86.465%0.64743%0.426SS*.G310 helixtrans-101.14.5175.9-78.23000113Y114 T115 I116Y114-N118 HydrophobicContact CD1-CB 4.01Å; Y114-N118 HydrophobicContact CE1-CB 3.74Å; T115-N118 PolarHBondContact O-N 3.25Å; I116-N118 PolarHBondContact O-N 2.93Å; I116-N118 VanDerWaalsContact O-N 3.13Å
119T51.8Low64.1Low30 Ų3081.6 Ų81.618%0.18441%0.408CS..SBendtrans-92.3152.3179.872.50000111.1I116 W121I116-T119 WeakPolarHBondContact CA-OG1 3.25Å; I116-T119 VanDerWaalsContact CG2-OG1 3.31Å; I116-T119 WeakPolarHBondContact CG2-OG1 3.43Å; I116-T119 WeakPolarHBondContact O-CA 3.37Å; I116-T119 WeakPolarHBondContact O-CB 3.45Å; I116-T119 PolarHBondContact O-N 3.26Å; I116-T119 PolarHBondContact O-OG1 3.36Å; T119-W121 PolarHBondContact O-N 3.32Å
120V56.6Low64.6Low58 Ų5877.1 Ų77.135%0.35239%0.391SS..THydrogen-bonded Turntrans-59.7-9.3-175.7-169.60000113.2T62 V66 K122T62-V120 HydrophobicContact CG2-CG2 3.68Å; V66-V120 HydrophobicContact CG2-CG1 3.9Å; V120-K122 PolarHBondContact O-N 3.43Å
121W62Low65.5Low35 Ų3577 Ų7713%0.13339%0.387CS..THydrogen-bonded Turntrans-93.715.7-170.7-51.4108.1000114.7F69 F103 T119 F123 F363F69-W121 HydrophobicContact CB-CH2 3.53Å; F69-W121 HydrophobicContact CB-CZ3 3.67Å; F69-W121 HydrophobicContact CD1-CZ3 4.04Å; F69-W121 HydrophobicContact CD2-CE3 4.25Å; F69-W121 AromaticContact CD2-CH2 3.48Å; F69-W121 HydrophobicContact CD2-CH2 3.48Å; F69-W121 VanDerWaalsContact CD2-CH2 3.48Å; F69-W121 AromaticContact CD2-CZ3 3.17Å; F69-W121 HydrophobicContact CD2-CZ3 3.17Å; F69-W121 HydrophobicContact CE1-CZ3 4.46Å; F69-W121 HydrophobicContact CE2-CE3 4.38Å; F69-W121 HydrophobicContact CE2-CH2 4.34Å; F69-W121 AromaticContact CE2-CZ3 3.67Å; F69-W121 HydrophobicContact CE2-CZ3 3.67Å; F69-W121 AromaticContact CG-CH2 3.7Å; F69-W121 HydrophobicContact CG-CH2 3.7Å; F69-W121 AromaticContact CG-CZ3 3.36Å; F69-W121 HydrophobicContact CG-CZ3 3.36Å; F69-W121 HydrophobicContact CZ-CZ3 4.3Å; F103-W121 HydrophobicContact CE1-CD2 4.39Å; F103-W121 HydrophobicContact CE1-CZ2 4.28Å; F103-W121 HydrophobicContact CZ-CH2 4.3Å; F103-W121 AromaticContact CZ-CZ2 3.91Å; F103-W121 HydrophobicContact CZ-CZ2 3.91Å; T119-W121 PolarHBondContact O-N 3.32Å; W121-F123 PolarHBondContact O-N 3.39Å; W121-F363 HydrophobicContact CB-CE1 4.48Å; W121-F363 HydrophobicContact CE3-CE1 4.19Å; W121-F363 HydrophobicContact CE3-CZ 4.4Å
122K65.7Low66.6Low90 Ų9074.2 Ų74.239%0.39137%0.373SS..  trans-71.2116.8170.2-82.8-176.7151.4161.20109.5D117 V120 T124D117-K122 VanDerWaalsContact CA-CE 3.46Å; D117-K122 VanDerWaalsContact CB-NZ 3.29Å; D117-K122 WeakPolarHBondContact O-CD 3.27Å; D117-K122 WeakPolarHBondContact O-CE 3.45Å; D117-K122 PolarHBondContact O-NZ 3.11Å; D117-K122 VanDerWaalsContact OD1-CE 3.31Å; D117-K122 WeakPolarHBondContact OD1-CE 3.17Å; D117-K122 IonicContact OD1-NZ 2.88Å; D117-K122 PolarHBondContact OD1-NZ 2.75Å; V120-K122 PolarHBondContact O-N 3.43Å; K122-T124 VanDerWaalsContact C-N 3.34Å; K122-T124 HydrophobicContact CB-CG2 4.32Å; K122-T124 PolarHBondContact O-N 3.25Å
123F72.8Confident68.3Low9 Ų966.1 Ų66.14%0.03934%0.335CS..  trans-64.796.8165.3-175.1-99000108.2W121 F128 L132 F363 Q367 F431 A432W121-F123 PolarHBondContact O-N 3.39Å; F123-F128 HydrophobicContact CE1-CB 4.07Å; F123-F128 HydrophobicContact CE1-CG 4.42Å; F123-F128 HydrophobicContact CE2-CB 4.22Å; F123-F128 HydrophobicContact CE2-CD2 4.24Å; F123-F128 HydrophobicContact CZ-CB 3.6Å; F123-F128 AromaticContact CZ-CD2 3.56Å; F123-F128 HydrophobicContact CZ-CD2 3.56Å; F123-F128 HydrophobicContact CZ-CE2 4.47Å; F123-F128 AromaticContact CZ-CG 3.81Å; F123-F128 HydrophobicContact CZ-CG 3.81Å; F123-L132 HydrophobicContact CE2-CD1 4.15Å; F123-F363 HydrophobicContact CB-CB 4.44Å; F123-F363 HydrophobicContact CB-CD1 4.35Å; F123-F363 HydrophobicContact CB-CG 4.43Å; F123-F363 HydrophobicContact CD2-CB 3.74Å; F123-F363 HydrophobicContact CD2-CD2 4.01Å; F123-F363 AromaticContact CD2-CG 3.88Å; F123-F363 HydrophobicContact CD2-CG 3.88Å; F123-F363 HydrophobicContact CE2-CB 4.42Å; F123-F363 HydrophobicContact CG-CB 4.43Å; F123-Q367 HydrophobicContact CB-CG 4.38Å; F123-F431 HydrophobicContact CD1-CE1 4Å; F123-F431 HydrophobicContact CE1-CD1 4.29Å; F123-F431 HydrophobicContact CE1-CE1 4.23Å; F123-F431 HydrophobicContact CG-CE1 4.46Å; F123-A432 HydrophobicContact CE1-CB 3.85Å; F123-A432 HydrophobicContact CZ-CB 4Å
124T73.7Confident70.3Confident52 Ų5258.9 Ų58.932%0.31930%0.297SS..  trans-89145.9178.958.10000110.3K122 S126 L127 F128K122-T124 VanDerWaalsContact C-N 3.34Å; K122-T124 HydrophobicContact CB-CG2 4.32Å; K122-T124 PolarHBondContact O-N 3.25Å; T124-S126 PolarHBondContact O-N 2.77Å; T124-S126 PolarHBondContact OG1-OG 2.86Å; T124-L127 WeakPolarHBondContact O-CB 3.44Å; T124-L127 PolarHBondContact O-N 3.41Å; T124-L127 VanDerWaalsContact O-N 3.08Å; T124-L127 WeakPolarHBondContact OG1-CB 3.33Å; T124-L127 PolarHBondContact OG1-N 3.43Å; T124-F128 PolarHBondContact O-N 3.16Å; T124-F128 VanDerWaalsContact O-N 3.16Å
125P70Confident72.6Confident45 Ų4553.2 Ų53.229%0.29228%0.278SS..Hα-helixtrans-62.1-34.1178.2-21.131.1000113.1L127 F128 S129 L436P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 2.85Å; P125-F128 PolarHBondContact O-N 3.21Å; P125-S129 PolarHBondContact O-N 3.2Å; P125-S129 PolarHBondContact O-OG 3.2Å; P125-L436 HydrophobicContact CB-CB 4.14Å; P125-L436 HydrophobicContact CB-CD1 3.31Å; P125-L436 HydrophobicContact CB-CG 4.14Å; P125-L436 HydrophobicContact CG-CB 4.19Å; P125-L436 HydrophobicContact CG-CD1 3.64Å; P125-L436 HydrophobicContact CG-CG 4.48Å
126S79.2Confident74.6Confident62 Ų6250.1 Ų50.143%0.43426%0.258SS..Hα-helixtrans-63.1-36.6174.852.70000112.3T124 Y130T124-S126 PolarHBondContact O-N 2.77Å; T124-S126 PolarHBondContact OG1-OG 2.86Å; S126-Y130 WeakPolarHBondContact O-CB 3.18Å; S126-Y130 WeakPolarHBondContact O-CD2 3.47Å; S126-Y130 PolarHBondContact O-N 3.41Å; S126-Y130 VanDerWaalsContact O-N 3.1Å
127L83.9Confident76.7Confident54 Ų5449.3 Ų49.328%0.28325%0.254SS..Hα-helixtrans-66.8-43.1175.9-176.1141.9000111.1T124 P125 Y131 L132 F363T124-L127 WeakPolarHBondContact O-CB 3.44Å; T124-L127 PolarHBondContact O-N 3.41Å; T124-L127 VanDerWaalsContact O-N 3.08Å; T124-L127 WeakPolarHBondContact OG1-CB 3.33Å; T124-L127 PolarHBondContact OG1-N 3.43Å; P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 2.85Å; L127-Y131 WeakPolarHBondContact O-CB 3.25Å; L127-Y131 PolarHBondContact O-N 3.34Å; L127-L132 HydrophobicContact CD2-CD1 3.31Å; L127-L132 HydrophobicContact CD2-CD2 4.49Å; L127-L132 HydrophobicContact CD2-CG 3.78Å; L127-L132 PolarHBondContact O-N 3.37Å; L127-L132 VanDerWaalsContact O-N 3.13Å; L127-F363 HydrophobicContact CD2-CE2 4.33Å
128F85.3Confident78.9Confident7 Ų745.4 Ų45.43%0.03123%0.233CC..Iπ-helixtrans-63.5-58.8176178.1-103.7000112.4F123 T124 P125 L132 L133 I360 V429 A432F123-F128 HydrophobicContact CE1-CB 4.07Å; F123-F128 HydrophobicContact CE1-CG 4.42Å; F123-F128 HydrophobicContact CE2-CB 4.22Å; F123-F128 HydrophobicContact CE2-CD2 4.24Å; F123-F128 HydrophobicContact CZ-CB 3.6Å; F123-F128 AromaticContact CZ-CD2 3.56Å; F123-F128 HydrophobicContact CZ-CD2 3.56Å; F123-F128 HydrophobicContact CZ-CE2 4.47Å; F123-F128 AromaticContact CZ-CG 3.81Å; F123-F128 HydrophobicContact CZ-CG 3.81Å; T124-F128 PolarHBondContact O-N 3.16Å; T124-F128 VanDerWaalsContact O-N 3.16Å; P125-F128 PolarHBondContact O-N 3.21Å; F128-L132 PolarHBondContact O-N 3.14Å; F128-L133 HydrophobicContact CE1-CB 4.36Å; F128-L133 HydrophobicContact CE1-CD1 4.24Å; F128-L133 HydrophobicContact CE1-CD2 3.97Å; F128-L133 HydrophobicContact CE1-CG 4.41Å; F128-L133 HydrophobicContact CE2-CD1 4.26Å; F128-L133 HydrophobicContact CZ-CB 4.33Å; F128-L133 HydrophobicContact CZ-CD1 3.72Å; F128-L133 HydrophobicContact CZ-CD2 4.3Å; F128-L133 HydrophobicContact CZ-CG 4.32Å; F128-L133 VanDerWaalsContact O-CB 3.28Å; F128-L133 WeakPolarHBondContact O-CB 3.32Å; F128-L133 PolarHBondContact O-N 3.09Å; F128-I360 HydrophobicContact CD2-CD1 4.31Å; F128-I360 HydrophobicContact CD2-CG1 4.48Å; F128-I360 HydrophobicContact CE2-CD1 4.02Å; F128-V429 HydrophobicContact CZ-CG2 4.17Å; F128-A432 HydrophobicContact CB-CB 4.48Å; F128-A432 HydrophobicContact CD1-CB 3.46Å; F128-A432 VanDerWaalsContact CD1-CB 3.46Å; F128-A432 HydrophobicContact CD2-CB 3.78Å; F128-A432 HydrophobicContact CE1-CB 3.39Å; F128-A432 HydrophobicContact CE2-CB 3.71Å; F128-A432 HydrophobicContact CG-CB 3.63Å; F128-A432 HydrophobicContact CZ-CB 3.5Å
129S84Confident81.3Confident28 Ų2840.2 Ų40.220%0.19620%0.204CC..Iπ-helixtrans-69.2-39.8-170.6-57.90000113.1P125 P134 Y308P125-S129 PolarHBondContact O-N 3.2Å; P125-S129 PolarHBondContact O-OG 3.2Å; S129-P134 VanDerWaalsContact O-CD 3.32Å; S129-P134 WeakPolarHBondContact O-CD 3.28Å; S129-P134 VanDerWaalsContact O-CG 3.31Å; S129-P134 WeakPolarHBondContact O-CG 3.36Å; S129-Y308 PolarHBondContact O-OH 3.21Å
130Y87.2Confident83.3Confident103 Ų10339.5 Ų39.540%0.40420%0.201SC..Iπ-helixtrans-93.5-21.5-173.9-60.6-53.8000114.8S126 Y305 Y308 I309S126-Y130 WeakPolarHBondContact O-CB 3.18Å; S126-Y130 WeakPolarHBondContact O-CD2 3.47Å; S126-Y130 PolarHBondContact O-N 3.41Å; S126-Y130 VanDerWaalsContact O-N 3.1Å; Y130-Y305 WeakPolarHBondContact O-CE2 3.38Å; Y130-Y305 PolarHBondContact O-OH 2.97Å; Y130-Y308 HydrophobicContact CD1-CE1 4.06Å; Y130-Y308 HydrophobicContact CE1-CE1 4.4Å; Y130-I309 HydrophobicContact CD1-CD1 4.03Å; Y130-I309 HydrophobicContact CE1-CD1 4.41Å
131Y88.7Confident85.1Confident161 Ų16136.8 Ų36.863%0.63118%0.184SC*.Iπ-helixtrans-121.8-44.1-172.9-59.5-84.9000113.9L127 P135L127-Y131 WeakPolarHBondContact O-CB 3.25Å; L127-Y131 PolarHBondContact O-N 3.34Å; Y131-P135 VanDerWaalsContact O-CD 3.24Å; Y131-P135 WeakPolarHBondContact O-CD 3.38Å; Y131-P135 WeakPolarHBondContact O-CG 3.45Å
132L89.9Confident86.6Confident16 Ų1635.3 Ų35.38%0.08418%0.179CC..Iπ-helixtrans-86.7-44.1-174.2-62.4-179.9000113.2F123 L127 F128 P135 I136 S356 V359 I360F123-L132 HydrophobicContact CE2-CD1 4.15Å; L127-L132 HydrophobicContact CD2-CD1 3.31Å; L127-L132 HydrophobicContact CD2-CD2 4.49Å; L127-L132 HydrophobicContact CD2-CG 3.78Å; L127-L132 PolarHBondContact O-N 3.37Å; L127-L132 VanDerWaalsContact O-N 3.13Å; F128-L132 PolarHBondContact O-N 3.14Å; L132-P135 WeakPolarHBondContact O-CD 3.26Å; L132-I136 WeakPolarHBondContact O-CD1 3.29Å; L132-S356 VanDerWaalsContact O-CB 3.24Å; L132-S356 WeakPolarHBondContact O-CB 3.28Å; L132-S356 PolarHBondContact O-OG 3.22Å; L132-V359 HydrophobicContact CD1-CG1 3.93Å; L132-V359 HydrophobicContact CD2-CB 4.09Å; L132-V359 HydrophobicContact CD2-CG1 3.75Å; L132-I360 HydrophobicContact CB-CD1 4.11Å; L132-I360 HydrophobicContact CB-CG1 4.13Å; L132-I360 HydrophobicContact CD1-CG1 3.69Å; L132-I360 HydrophobicContact CG-CG1 4.48Å
133L91Very high87.7Confident8 Ų834.1 Ų34.14%0.04218%0.175CC..Hα-helixtrans-69.7-42.5-175.3-171.670.5000113.6F128 I136 I137 I240 I319 V429F128-L133 HydrophobicContact CE1-CB 4.36Å; F128-L133 HydrophobicContact CE1-CD1 4.24Å; F128-L133 HydrophobicContact CE1-CD2 3.97Å; F128-L133 HydrophobicContact CE1-CG 4.41Å; F128-L133 HydrophobicContact CE2-CD1 4.26Å; F128-L133 HydrophobicContact CZ-CB 4.33Å; F128-L133 HydrophobicContact CZ-CD1 3.72Å; F128-L133 HydrophobicContact CZ-CD2 4.3Å; F128-L133 HydrophobicContact CZ-CG 4.32Å; F128-L133 VanDerWaalsContact O-CB 3.28Å; F128-L133 WeakPolarHBondContact O-CB 3.32Å; F128-L133 PolarHBondContact O-N 3.09Å; L133-I136 PolarHBondContact O-N 3.12Å; L133-I137 HydrophobicContact CD1-CD1 4.16Å; L133-I137 HydrophobicContact CD1-CG1 4.4Å; L133-I137 HydrophobicContact CD2-CD1 3.92Å; L133-I137 HydrophobicContact CG-CD1 3.55Å; L133-I137 HydrophobicContact CG-CG1 4.24Å; L133-I137 PolarHBondContact O-N 3.49Å; L133-I240 HydrophobicContact CD2-CD1 4.03Å; L133-I319 HydrophobicContact CD2-CD1 3.59Å; L133-I319 HydrophobicContact CD2-CG1 4.13Å; L133-V429 HydrophobicContact CD1-CG2 4.37Å
134P94.8Very high88.3Confident3 Ų333.7 Ų33.72%0.01917%0.173CC..Hα-helixtrans-59.3-45.1-175-25.736.8000114.6S129 I136 I137 L138 Y305 Y308 M322S129-P134 VanDerWaalsContact O-CD 3.32Å; S129-P134 WeakPolarHBondContact O-CD 3.28Å; S129-P134 VanDerWaalsContact O-CG 3.31Å; S129-P134 WeakPolarHBondContact O-CG 3.36Å; P134-I136 VanDerWaalsContact C-N 3.29Å; P134-I136 PolarHBondContact O-N 3.25Å; P134-I137 PolarHBondContact O-N 3.2Å; P134-L138 WeakPolarHBondContact O-CB 3.44Å; P134-L138 PolarHBondContact O-N 2.88Å; P134-Y305 HydrophobicContact CB-CD2 3.98Å; P134-Y305 HydrophobicContact CB-CE2 3.97Å; P134-Y305 HydrophobicContact CG-CD2 4.49Å; P134-Y305 HydrophobicContact CG-CE2 4Å; P134-Y308 HydrophobicContact CG-CE1 4.45Å; P134-Y308 HydrophobicContact CG-CE2 4.48Å; P134-M322 HydrophobicContact CB-CE 3.63Å; P134-M322 HydrophobicContact CB-SD 3.94Å
135P94.7Very high88.8Confident28 Ų2835.7 Ų35.718%0.18218%0.175CC..Hα-helixtrans-58.3-36.9176.2-26.135000114.5Y131 L132 Q139 L352Y131-P135 VanDerWaalsContact O-CD 3.24Å; Y131-P135 WeakPolarHBondContact O-CD 3.38Å; Y131-P135 WeakPolarHBondContact O-CG 3.45Å; L132-P135 WeakPolarHBondContact O-CD 3.26Å; P135-Q139 WeakPolarHBondContact O-CB 3.23Å; P135-Q139 PolarHBondContact O-N 2.83Å; P135-L352 HydrophobicContact CB-CB 3.98Å
136I92.7Very high89.3Confident24 Ų2436.2 Ų36.212%0.12318%0.175CC..Hα-helixtrans-67.9-48.5-178.9-59.6170.5000110L132 L133 P134 L138 S140 A353 E357 I360L132-I136 WeakPolarHBondContact O-CD1 3.29Å; L133-I136 PolarHBondContact O-N 3.12Å; P134-I136 VanDerWaalsContact C-N 3.29Å; P134-I136 PolarHBondContact O-N 3.25Å; I136-L138 VanDerWaalsContact C-N 3.34Å; I136-L138 PolarHBondContact O-N 2.96Å; I136-S140 WeakPolarHBondContact O-CB 3.33Å; I136-S140 PolarHBondContact O-N 2.82Å; I136-S140 PolarHBondContact O-OG 3.23Å; I136-A353 HydrophobicContact CG1-CB 4.44Å; I136-E357 HydrophobicContact CD1-CG 3.7Å; I136-E357 HydrophobicContact CG1-CG 4.01Å; I136-E357 HydrophobicContact CG2-CG 4.45Å; I136-I360 HydrophobicContact CD1-CD1 3.54Å
137I93.7Very high89Confident8 Ų837.3 Ų37.34%0.04117%0.17CC..Hα-helixtrans-62.9-43.9177.9-63.9159.2000110.4L133 P134 S140 S141 L233 I319 M322 I323L133-I137 HydrophobicContact CD1-CD1 4.16Å; L133-I137 HydrophobicContact CD1-CG1 4.4Å; L133-I137 HydrophobicContact CD2-CD1 3.92Å; L133-I137 HydrophobicContact CG-CD1 3.55Å; L133-I137 HydrophobicContact CG-CG1 4.24Å; L133-I137 PolarHBondContact O-N 3.49Å; P134-I137 PolarHBondContact O-N 3.2Å; I137-S140 PolarHBondContact O-N 2.63Å; I137-S141 WeakPolarHBondContact O-CB 3.19Å; I137-S141 PolarHBondContact O-N 2.77Å; I137-S141 PolarHBondContact O-OG 3.34Å; I137-L233 HydrophobicContact CG2-CD1 4.46Å; I137-I319 HydrophobicContact CD1-CB 4.06Å; I137-I319 HydrophobicContact CD1-CD1 4.32Å; I137-I319 HydrophobicContact CD1-CG1 3.75Å; I137-I319 HydrophobicContact CD1-CG2 3.56Å; I137-I319 HydrophobicContact CG1-CG2 4.27Å; I137-I319 HydrophobicContact CG2-CG2 4.41Å; I137-M322 HydrophobicContact CB-SD 4.2Å; I137-M322 HydrophobicContact CG2-CB 4.25Å; I137-M322 HydrophobicContact CG2-CG 4.19Å; I137-M322 HydrophobicContact CG2-SD 4.3Å; I137-I323 HydrophobicContact CG2-CD1 4.23Å; I137-I323 HydrophobicContact CG2-CG1 3.48Å; I137-I323 VanDerWaalsContact CG2-CG1 3.48Å
138L95.4Very high88.6Confident12 Ų1236.6 Ų36.66%0.06317%0.168CC..Hα-helixtrans-62.7-49.3-177.9-174.758.5000111.3P134 I136 S140 S141 Y142 L301 A304 M322P134-L138 WeakPolarHBondContact O-CB 3.44Å; P134-L138 PolarHBondContact O-N 2.88Å; I136-L138 VanDerWaalsContact C-N 3.34Å; I136-L138 PolarHBondContact O-N 2.96Å; L138-S140 VanDerWaalsContact C-N 3.26Å; L138-S140 PolarHBondContact O-N 3.37Å; L138-S141 PolarHBondContact O-N 3.16Å; L138-S141 PolarHBondContact O-OG 3.03Å; L138-Y142 HydrophobicContact CD1-CE1 3.89Å; L138-Y142 HydrophobicContact CD1-CE2 3.9Å; L138-Y142 WeakPolarHBondContact CD1-OH 3.35Å; L138-Y142 HydrophobicContact CD2-CE2 4.25Å; L138-Y142 HydrophobicContact CG-CD2 4.36Å; L138-Y142 HydrophobicContact CG-CE2 3.75Å; L138-Y142 PolarHBondContact O-N 3.48Å; L138-Y142 VanDerWaalsContact O-N 3.15Å; L138-L301 HydrophobicContact CD2-CD2 3.68Å; L138-A304 HydrophobicContact CD1-CB 3.53Å; L138-A304 HydrophobicContact CD2-CB 3.92Å; L138-A304 HydrophobicContact CG-CB 4.38Å; L138-M322 HydrophobicContact CB-CG 4.39Å; L138-M322 HydrophobicContact CB-SD 3.93Å; L138-M322 HydrophobicContact CD1-CG 4.23Å
139Q95.1Very high88.6Confident11 Ų1136.6 Ų36.65%0.05117%0.168CC..Hα-helixtrans-56.3-45.7174.4174.860.26.400111P135 S141 Y142 E143 T349 A353P135-Q139 WeakPolarHBondContact O-CB 3.23Å; P135-Q139 PolarHBondContact O-N 2.83Å; Q139-S141 VanDerWaalsContact C-N 3.32Å; Q139-S141 PolarHBondContact O-N 3.3Å; Q139-Y142 PolarHBondContact O-N 3.22Å; Q139-E143 PolarHBondContact NE2-OE1 2.9Å; Q139-E143 PolarHBondContact O-N 2.89Å; Q139-E143 VanDerWaalsContact O-N 3.15Å; Q139-T349 PolarHBondContact OE1-OG1 2.91Å; Q139-A353 HydrophobicContact CB-CB 3.71Å; Q139-A353 HydrophobicContact CG-CB 4Å
140S93.3Very high88.3Confident16 Ų1639.1 Ų39.111%0.11219%0.186CC..Hα-helixtrans-62.6-40.6-178.5-59.20000112.1I136 I137 L138 Y142 E143 L144 F229I136-S140 WeakPolarHBondContact O-CB 3.33Å; I136-S140 PolarHBondContact O-N 2.82Å; I136-S140 PolarHBondContact O-OG 3.23Å; I137-S140 PolarHBondContact O-N 2.63Å; L138-S140 VanDerWaalsContact C-N 3.26Å; L138-S140 PolarHBondContact O-N 3.37Å; S140-Y142 VanDerWaalsContact C-N 3.32Å; S140-Y142 PolarHBondContact O-N 3.47Å; S140-E143 PolarHBondContact O-N 3.05Å; S140-L144 WeakPolarHBondContact O-CB 3.33Å; S140-L144 PolarHBondContact O-N 2.91Å; S140-L144 VanDerWaalsContact O-N 3.14Å; S140-F229 WeakPolarHBondContact O-CZ 3.31Å
141S94Very high88Confident0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-65-33.417871.50000113.2I137 L138 Q139 L144 G326I137-S141 WeakPolarHBondContact O-CB 3.19Å; I137-S141 PolarHBondContact O-N 2.77Å; I137-S141 PolarHBondContact O-OG 3.34Å; L138-S141 PolarHBondContact O-N 3.16Å; L138-S141 PolarHBondContact O-OG 3.03Å; Q139-S141 VanDerWaalsContact C-N 3.32Å; Q139-S141 PolarHBondContact O-N 3.3Å; S141-L144 WeakPolarHBondContact O-CB 3.45Å; S141-G326 WeakPolarHBondContact OG-CA 3.21Å
142Y93.9Very high87.8Confident5 Ų531.8 Ų31.82%0.0216%0.159CC..Hα-helixtrans-72.5-39.5176.3-67.5-25.5000112.7L138 Q139 S140 L144 Y145 I300 G326 Q329 A330 F334 L345 T349L138-Y142 HydrophobicContact CD1-CE1 3.89Å; L138-Y142 HydrophobicContact CD1-CE2 3.9Å; L138-Y142 WeakPolarHBondContact CD1-OH 3.35Å; L138-Y142 HydrophobicContact CD2-CE2 4.25Å; L138-Y142 HydrophobicContact CG-CD2 4.36Å; L138-Y142 HydrophobicContact CG-CE2 3.75Å; L138-Y142 PolarHBondContact O-N 3.48Å; L138-Y142 VanDerWaalsContact O-N 3.15Å; Q139-Y142 PolarHBondContact O-N 3.22Å; S140-Y142 VanDerWaalsContact C-N 3.32Å; S140-Y142 PolarHBondContact O-N 3.47Å; Y142-L144 PolarHBondContact O-N 3.26Å; Y142-Y145 PolarHBondContact O-N 3.24Å; Y142-I300 WeakPolarHBondContact OH-CG2 3.42Å; Y142-G326 WeakPolarHBondContact CD1-O 3.46Å; Y142-Q329 HydrophobicContact CE1-CB 3.99Å; Y142-Q329 PolarHBondContact OH-OE1 2.86Å; Y142-A330 HydrophobicContact CD1-CB 4.17Å; Y142-F334 HydrophobicContact CD1-CE1 4.2Å; Y142-F334 HydrophobicContact CD1-CE2 4.4Å; Y142-F334 AromaticContact CD1-CZ 3.55Å; Y142-F334 HydrophobicContact CD1-CZ 3.55Å; Y142-F334 AromaticContact CD2-CZ 3.93Å; Y142-F334 HydrophobicContact CD2-CZ 3.93Å; Y142-F334 AromaticContact CE1-CE1 3.96Å; Y142-F334 HydrophobicContact CE1-CE1 3.96Å; Y142-F334 AromaticContact CE1-CZ 3.76Å; Y142-F334 HydrophobicContact CE1-CZ 3.76Å; Y142-F334 HydrophobicContact CE2-CZ 4.13Å; Y142-F334 HydrophobicContact CG-CE2 4.35Å; Y142-F334 AromaticContact CG-CZ 3.64Å; Y142-F334 HydrophobicContact CG-CZ 3.64Å; Y142-L345 HydrophobicContact CE2-CD1 4.3Å; Y142-L345 HydrophobicContact CE2-CD2 4.27Å; Y142-L345 HydrophobicContact CE2-CG 4.31Å; Y142-T349 HydrophobicContact CD2-CG2 4.15Å; Y142-T349 HydrophobicContact CE2-CG2 3.88Å
143E87.7Confident87.7Confident64 Ų6434 Ų3430%0.29917%0.171SC..Hα-helixtrans-70.3-21.9176.7-68.6-173.4179.600113.2Q139 S140 Y145 F229Q139-E143 PolarHBondContact NE2-OE1 2.9Å; Q139-E143 PolarHBondContact O-N 2.89Å; Q139-E143 VanDerWaalsContact O-N 3.15Å; S140-E143 PolarHBondContact O-N 3.05Å; E143-Y145 VanDerWaalsContact C-N 3.28Å; E143-Y145 PolarHBondContact O-N 3.33Å; E143-F229 HydrophobicContact CB-CE1 4.31Å; E143-F229 HydrophobicContact CB-CZ 4.31Å
144L87.2Confident87.5Confident0 Ų035.3 Ų35.30%019%0.186CC..THydrogen-bonded Turntrans-70.3-24.4178.8-15469.6000112.7S140 S141 Y142 N146 F149 F229 L233 F234 L327S140-L144 WeakPolarHBondContact O-CB 3.33Å; S140-L144 PolarHBondContact O-N 2.91Å; S140-L144 VanDerWaalsContact O-N 3.14Å; S141-L144 WeakPolarHBondContact O-CB 3.45Å; Y142-L144 PolarHBondContact O-N 3.26Å; L144-N146 PolarHBondContact O-N 3.41Å; L144-F149 HydrophobicContact CD1-CD2 3.48Å; L144-F149 VanDerWaalsContact CD1-CD2 3.48Å; L144-F149 HydrophobicContact CD1-CE1 4.46Å; L144-F149 HydrophobicContact CD1-CE2 3.3Å; L144-F149 HydrophobicContact CD1-CG 4.16Å; L144-F149 HydrophobicContact CD1-CZ 3.86Å; L144-F149 HydrophobicContact CD2-CD1 4.48Å; L144-F149 HydrophobicContact CD2-CD2 4.4Å; L144-F149 HydrophobicContact CD2-CE1 3.71Å; L144-F149 HydrophobicContact CD2-CE2 3.63Å; L144-F149 HydrophobicContact CD2-CZ 3.24Å; L144-F149 HydrophobicContact CG-CD1 3.87Å; L144-F149 HydrophobicContact CG-CD2 3.64Å; L144-F149 HydrophobicContact CG-CE1 3.6Å; L144-F149 HydrophobicContact CG-CE2 3.36Å; L144-F149 HydrophobicContact CG-CG 3.89Å; L144-F149 HydrophobicContact CG-CZ 3.36Å; L144-F149 VanDerWaalsContact O-CB 3.23Å; L144-F149 WeakPolarHBondContact O-CB 3.43Å; L144-F149 WeakPolarHBondContact O-CD1 3.28Å; L144-F149 WeakPolarHBondContact O-CG 3.33Å; L144-F229 HydrophobicContact CB-CE1 4.32Å; L144-F229 HydrophobicContact CD1-CD1 3.54Å; L144-F229 HydrophobicContact CD1-CE1 3.55Å; L144-L233 HydrophobicContact CD2-CD2 4.06Å; L144-F234 HydrophobicContact CD2-CE2 4.06Å; L144-F234 HydrophobicContact CD2-CZ 4.37Å; L144-L327 HydrophobicContact CB-CD2 4.03Å; L144-L327 HydrophobicContact CD2-CD1 4.5Å; L144-L327 HydrophobicContact CD2-CD2 4.08Å; L144-L327 HydrophobicContact CG-CD2 4.38Å
145Y82.5Confident87.3Confident94 Ų9435.1 Ų35.137%0.36919%0.185SC..  trans-70.493179.8-176.4-101.8000111.4Y142 E143 A330 A331Y142-Y145 PolarHBondContact O-N 3.24Å; E143-Y145 VanDerWaalsContact C-N 3.28Å; E143-Y145 PolarHBondContact O-N 3.33Å; Y145-A330 VanDerWaalsContact CB-CB 3.49Å; Y145-A330 HydrophobicContact CD1-CB 4.26Å; Y145-A330 HydrophobicContact CG-CB 3.85Å; Y145-A331 HydrophobicContact CD2-CB 3.83Å; Y145-A331 HydrophobicContact CE2-CB 3.31Å; Y145-A331 VanDerWaalsContact CZ-CA 3.45Å
146N80.5Confident87.2Confident56 Ų5633.8 Ų33.830%0.29918%0.177SC..  trans-145150.8172.7-163.6-25.5000110.5L144 T148 F149 S150 Y226L144-N146 PolarHBondContact O-N 3.41Å; N146-T148 VanDerWaalsContact C-N 3.3Å; N146-T148 PolarHBondContact O-N 3.15Å; N146-T148 PolarHBondContact OD1-N 3.35Å; N146-F149 HydrophobicContact CB-CB 4.21Å; N146-F149 PolarHBondContact O-N 3.5Å; N146-S150 PolarHBondContact O-N 3.33Å; N146-S150 VanDerWaalsContact O-N 3.1Å; N146-Y226 HydrophobicContact CB-CE1 4.45Å; N146-Y226 HydrophobicContact CB-CE2 3.83Å; N146-Y226 VanDerWaalsContact CB-OH 3.3Å; N146-Y226 WeakPolarHBondContact CB-OH 3.08Å; N146-Y226 WeakPolarHBondContact ND2-CE2 3.44Å; N146-Y226 PolarHBondContact ND2-OH 2.94Å
147R73.4Confident87.2Confident85 Ų8535.7 Ų35.732%0.32119%0.187SC..Hα-helixtrans-55.8-46.7173.5179.7178.2172.9171.3-1.6110.7F149 S150 E151 D501 Y542R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 3.47Å; R147-S150 PolarHBondContact O-N 3.3Å; R147-E151 IonicContact NE-OE1 2.81Å; R147-E151 PolarHBondContact NE-OE1 3.15Å; R147-E151 PolarHBondContact O-N 3.22Å; R147-D501 IonicContact NH2-OD2 3.81Å; R147-D501 PolarHBondContact NH2-OD2 3.41Å; R147-Y542 PolarHBondContact NH1-OH 3.35Å
148T75.4Confident87.1Confident39 Ų3937.3 Ų37.324%0.23920%0.195CC..Hα-helixtrans-64.7-36.5179530000111.8N146 S150 E151 Y152 L222 Y226N146-T148 VanDerWaalsContact C-N 3.3Å; N146-T148 PolarHBondContact O-N 3.15Å; N146-T148 PolarHBondContact OD1-N 3.35Å; T148-S150 PolarHBondContact O-N 3.29Å; T148-E151 PolarHBondContact O-N 2.86Å; T148-Y152 VanDerWaalsContact O-CD2 3.26Å; T148-Y152 WeakPolarHBondContact O-CD2 3.38Å; T148-Y152 PolarHBondContact O-N 3.38Å; T148-L222 HydrophobicContact CG2-CD2 4.14Å; T148-L222 WeakPolarHBondContact OG1-CD2 3.48Å; T148-Y226 WeakPolarHBondContact OG1-CD2 3.37Å; T148-Y226 WeakPolarHBondContact OG1-CE2 3.39Å
149F84.5Confident87Confident7 Ų737 Ų373%0.03119%0.193CC..Hα-helixtrans-62.3-44.6175.4167.3-97.6000111.5L144 N146 R147 E151 Y152 L153 I156 Y226 F234L144-F149 HydrophobicContact CD1-CD2 3.48Å; L144-F149 VanDerWaalsContact CD1-CD2 3.48Å; L144-F149 HydrophobicContact CD1-CE1 4.46Å; L144-F149 HydrophobicContact CD1-CE2 3.3Å; L144-F149 HydrophobicContact CD1-CG 4.16Å; L144-F149 HydrophobicContact CD1-CZ 3.86Å; L144-F149 HydrophobicContact CD2-CD1 4.48Å; L144-F149 HydrophobicContact CD2-CD2 4.4Å; L144-F149 HydrophobicContact CD2-CE1 3.71Å; L144-F149 HydrophobicContact CD2-CE2 3.63Å; L144-F149 HydrophobicContact CD2-CZ 3.24Å; L144-F149 HydrophobicContact CG-CD1 3.87Å; L144-F149 HydrophobicContact CG-CD2 3.64Å; L144-F149 HydrophobicContact CG-CE1 3.6Å; L144-F149 HydrophobicContact CG-CE2 3.36Å; L144-F149 HydrophobicContact CG-CG 3.89Å; L144-F149 HydrophobicContact CG-CZ 3.36Å; L144-F149 VanDerWaalsContact O-CB 3.23Å; L144-F149 WeakPolarHBondContact O-CB 3.43Å; L144-F149 WeakPolarHBondContact O-CD1 3.28Å; L144-F149 WeakPolarHBondContact O-CG 3.33Å; N146-F149 HydrophobicContact CB-CB 4.21Å; N146-F149 PolarHBondContact O-N 3.5Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 3.47Å; F149-E151 PolarHBondContact O-N 3.1Å; F149-Y152 CarbonylContact O-C 3.45Å; F149-Y152 PolarHBondContact O-N 3.28Å; F149-L153 HydrophobicContact CE1-CD1 3.86Å; F149-L153 HydrophobicContact CE1-CG 4.45Å; F149-L153 HydrophobicContact CZ-CD1 4.18Å; F149-L153 HydrophobicContact CZ-CG 4.36Å; F149-L153 PolarHBondContact O-N 3.33Å; F149-I156 HydrophobicContact CD2-CD1 3.54Å; F149-I156 HydrophobicContact CE2-CD1 3.4Å; F149-I156 HydrophobicContact CE2-CG2 4.41Å; F149-I156 HydrophobicContact CZ-CD1 4.48Å; F149-Y226 HydrophobicContact CB-CD1 3.98Å; F149-Y226 HydrophobicContact CB-CD2 4.18Å; F149-Y226 HydrophobicContact CB-CE1 4.3Å; F149-Y226 HydrophobicContact CB-CE2 4.45Å; F149-Y226 HydrophobicContact CB-CG 3.96Å; F149-Y226 HydrophobicContact CD2-CD1 4.2Å; F149-Y226 HydrophobicContact CD2-CG 4.4Å; F149-Y226 HydrophobicContact CG-CD1 4.48Å; F149-F234 HydrophobicContact CZ-CE2 4.29Å
150S78.9Confident86.9Confident82 Ų8236.4 Ų36.457%0.57319%0.19SC*.Hα-helixtrans-61.3-30.1179.5-174.50000113.3N146 R147 T148 Y152N146-S150 PolarHBondContact O-N 3.33Å; N146-S150 VanDerWaalsContact O-N 3.1Å; R147-S150 PolarHBondContact O-N 3.3Å; T148-S150 PolarHBondContact O-N 3.29Å; S150-Y152 VanDerWaalsContact C-N 3.29Å
151E80.9Confident87Confident64 Ų6437.4 Ų37.430%0.29920%0.196SC..Hα-helixtrans-71.1-25.1176.9-70.1168.9-17600112.2R147 T148 F149R147-E151 IonicContact NE-OE1 2.81Å; R147-E151 PolarHBondContact NE-OE1 3.15Å; R147-E151 PolarHBondContact O-N 3.22Å; T148-E151 PolarHBondContact O-N 2.86Å; F149-E151 PolarHBondContact O-N 3.1Å
152Y85.1Confident87Confident45 Ų4541.6 Ų41.618%0.17622%0.217CC..Hα-helixtrans-1082.7-179.4-72.2-100.2000113.4T148 F149 S150 G154 V155 I156 I227 T410T148-Y152 VanDerWaalsContact O-CD2 3.26Å; T148-Y152 WeakPolarHBondContact O-CD2 3.38Å; T148-Y152 PolarHBondContact O-N 3.38Å; F149-Y152 CarbonylContact O-C 3.45Å; F149-Y152 PolarHBondContact O-N 3.28Å; S150-Y152 VanDerWaalsContact C-N 3.29Å; Y152-G154 VanDerWaalsContact C-N 3.26Å; Y152-G154 PolarHBondContact O-N 2.94Å; Y152-V155 PolarHBondContact O-N 3.05Å; Y152-V155 VanDerWaalsContact O-N 3.1Å; Y152-I156 VanDerWaalsContact O-CG1 3.28Å; Y152-I156 WeakPolarHBondContact O-CG1 3.42Å; Y152-I156 PolarHBondContact O-N 2.83Å; Y152-I227 HydrophobicContact CD1-CD1 3.87Å; Y152-I227 HydrophobicContact CD1-CG1 4.16Å; Y152-I227 HydrophobicContact CE1-CD1 4.21Å; Y152-T410 HydrophobicContact CD1-CG2 3.8Å; Y152-T410 HydrophobicContact CE1-CG2 3.13Å
153L87.4Confident87.1Confident63 Ų6341.4 Ų41.433%0.3322%0.217SC..Hα-helixtrans-56-39.9-174.9-177.8152.9000112.3F149 I156 L157F149-L153 HydrophobicContact CE1-CD1 3.86Å; F149-L153 HydrophobicContact CE1-CG 4.45Å; F149-L153 HydrophobicContact CZ-CD1 4.18Å; F149-L153 HydrophobicContact CZ-CG 4.36Å; F149-L153 PolarHBondContact O-N 3.33Å; L153-I156 PolarHBondContact O-N 3.32Å; L153-L157 HydrophobicContact CD2-CD1 3.49Å; L153-L157 VanDerWaalsContact CD2-CD1 3.49Å; L153-L157 HydrophobicContact CD2-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.15Å; L153-L157 PolarHBondContact O-N 3.39Å
154G87.3Confident87.4Confident35 Ų3538.4 Ų38.436%0.36120%0.203SC..Hα-helixtrans-61.2-47.2177.400000112.4Y152 L157 I158Y152-G154 VanDerWaalsContact C-N 3.26Å; Y152-G154 PolarHBondContact O-N 2.94Å; G154-L157 PolarHBondContact O-N 3.35Å; G154-I158 WeakPolarHBondContact O-CG1 3.3Å; G154-I158 PolarHBondContact O-N 3.23Å; G154-I158 VanDerWaalsContact O-N 3.1Å
155V90.3Very high87.8Confident0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-63.1-44.7176.4177.70000110.7Y152 L157 I158 F159 V402 I407 I412Y152-V155 PolarHBondContact O-N 3.05Å; Y152-V155 VanDerWaalsContact O-N 3.1Å; V155-L157 VanDerWaalsContact C-N 3.35Å; V155-L157 PolarHBondContact O-N 3.18Å; V155-I158 WeakPolarHBondContact O-CB 3.44Å; V155-I158 PolarHBondContact O-N 3Å; V155-I158 VanDerWaalsContact O-N 3.16Å; V155-F159 HydrophobicContact CG1-CD2 3.75Å; V155-F159 HydrophobicContact CG1-CE2 3.58Å; V155-F159 VanDerWaalsContact O-CD2 3.29Å; V155-F159 WeakPolarHBondContact O-CD2 2.96Å; V155-F159 PolarHBondContact O-N 3.03Å; V155-V402 HydrophobicContact CG1-CG1 4.26Å; V155-V402 HydrophobicContact CG2-CG1 4.16Å; V155-I407 HydrophobicContact CG2-CG2 4.25Å; V155-I412 HydrophobicContact CG1-CD1 4.48Å
156I91.7Very high88.5Confident0 Ų038.1 Ų38.10%021%0.21CC..Hα-helixtrans-58.3-46.1178.5-69.6168.5000111.2F149 Y152 L153 I158 F159 S160 Y226 I227 F234F149-I156 HydrophobicContact CD2-CD1 3.54Å; F149-I156 HydrophobicContact CE2-CD1 3.4Å; F149-I156 HydrophobicContact CE2-CG2 4.41Å; F149-I156 HydrophobicContact CZ-CD1 4.48Å; Y152-I156 VanDerWaalsContact O-CG1 3.28Å; Y152-I156 WeakPolarHBondContact O-CG1 3.42Å; Y152-I156 PolarHBondContact O-N 2.83Å; L153-I156 PolarHBondContact O-N 3.32Å; I156-I158 VanDerWaalsContact C-N 3.33Å; I156-I158 PolarHBondContact O-N 2.92Å; I156-F159 PolarHBondContact O-N 3.12Å; I156-S160 WeakPolarHBondContact O-CB 3.37Å; I156-S160 PolarHBondContact O-N 3.16Å; I156-S160 PolarHBondContact O-OG 2.77Å; I156-Y226 WeakPolarHBondContact CD1-O 3.23Å; I156-I227 HydrophobicContact CG1-CG1 4.36Å; I156-F234 HydrophobicContact CG2-CD2 4.09Å; I156-F234 HydrophobicContact CG2-CE2 4.43Å
157L92.3Very high89.2Confident64 Ų6435.5 Ų35.534%0.33520%0.196SC..Hα-helixtrans-65.5-34.4177.7-73.8-179.7000112.8L153 G154 V155 S160 V161 F234L153-L157 HydrophobicContact CD2-CD1 3.49Å; L153-L157 VanDerWaalsContact CD2-CD1 3.49Å; L153-L157 HydrophobicContact CD2-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.15Å; L153-L157 PolarHBondContact O-N 3.39Å; G154-L157 PolarHBondContact O-N 3.35Å; V155-L157 VanDerWaalsContact C-N 3.35Å; V155-L157 PolarHBondContact O-N 3.18Å; L157-S160 WeakPolarHBondContact CA-OG 3.45Å; L157-S160 PolarHBondContact O-OG 3.5Å; L157-V161 VanDerWaalsContact O-CB 3.26Å; L157-V161 WeakPolarHBondContact O-CB 3.42Å; L157-V161 WeakPolarHBondContact O-CG2 3.47Å; L157-V161 PolarHBondContact O-N 2.98Å; L157-F234 HydrophobicContact CD2-CD1 4.42Å; L157-F234 HydrophobicContact CD2-CD2 4.34Å; L157-F234 HydrophobicContact CD2-CE1 4.42Å; L157-F234 HydrophobicContact CD2-CE2 4.36Å; L157-F234 HydrophobicContact CD2-CG 4.39Å; L157-F234 HydrophobicContact CD2-CZ 4.4Å
158I93.3Very high90.4Very high42 Ų4232.3 Ų32.322%0.21519%0.185CC..Iπ-helixtrans-63.5-48.9174.2-70.5166.4000109.8G154 V155 I156 I162 G163 I398 I407G154-I158 WeakPolarHBondContact O-CG1 3.3Å; G154-I158 PolarHBondContact O-N 3.23Å; G154-I158 VanDerWaalsContact O-N 3.1Å; V155-I158 WeakPolarHBondContact O-CB 3.44Å; V155-I158 PolarHBondContact O-N 3Å; V155-I158 VanDerWaalsContact O-N 3.16Å; I156-I158 VanDerWaalsContact C-N 3.33Å; I156-I158 PolarHBondContact O-N 2.92Å; I158-I162 HydrophobicContact CG1-CD1 4.35Å; I158-I162 HydrophobicContact CG2-CD1 4.16Å; I158-I162 WeakPolarHBondContact O-CA 3.44Å; I158-I162 VanDerWaalsContact O-CB 3.29Å; I158-I162 WeakPolarHBondContact O-CB 3.39Å; I158-I162 PolarHBondContact O-N 3.35Å; I158-G163 PolarHBondContact O-N 2.97Å; I158-G163 VanDerWaalsContact O-N 3.16Å; I158-I398 HydrophobicContact CG2-CG2 3.65Å; I158-I407 HydrophobicContact CD1-CD1 3.91Å
159F92.6Very high91.4Very high4 Ų434 Ų342%0.01819%0.192CC..Iπ-helixtrans-63.9-42.8177.2-79.7-78.5000112.4V155 I156 G163 E231 I398 T399 I412 L420V155-F159 HydrophobicContact CG1-CD2 3.75Å; V155-F159 HydrophobicContact CG1-CE2 3.58Å; V155-F159 VanDerWaalsContact O-CD2 3.29Å; V155-F159 WeakPolarHBondContact O-CD2 2.96Å; V155-F159 PolarHBondContact O-N 3.03Å; I156-F159 PolarHBondContact O-N 3.12Å; F159-G163 WeakPolarHBondContact O-CA 3.22Å; F159-G163 PolarHBondContact O-N 2.96Å; F159-E231 HydrophobicContact CB-CG 3.93Å; F159-I398 HydrophobicContact CD1-CB 4.3Å; F159-I398 HydrophobicContact CD1-CD1 4.45Å; F159-I398 HydrophobicContact CD1-CG2 3.77Å; F159-I398 HydrophobicContact CD2-CG2 4.25Å; F159-I398 HydrophobicContact CE1-CB 3.93Å; F159-I398 HydrophobicContact CE1-CG2 3.53Å; F159-I398 HydrophobicContact CE2-CG2 4.03Å; F159-I398 HydrophobicContact CG-CG2 4.12Å; F159-I398 HydrophobicContact CZ-CB 4.4Å; F159-I398 HydrophobicContact CZ-CG2 3.67Å; F159-T399 HydrophobicContact CE1-CG2 3.94Å; F159-T399 HydrophobicContact CZ-CG2 3.55Å; F159-I412 HydrophobicContact CE2-CD1 3.8Å; F159-I412 HydrophobicContact CZ-CD1 3.91Å; F159-L420 HydrophobicContact CD1-CD2 3.87Å; F159-L420 HydrophobicContact CE1-CD2 3.51Å; F159-L420 HydrophobicContact CZ-CD2 3.94Å
160S93.7Very high91.9Very high0 Ų037.8 Ų37.80%021%0.208CC..Iπ-helixtrans-75.8-36.4-175.974.30000113.7I156 L157 T164 F234 I238I156-S160 WeakPolarHBondContact O-CB 3.37Å; I156-S160 PolarHBondContact O-N 3.16Å; I156-S160 PolarHBondContact O-OG 2.77Å; L157-S160 WeakPolarHBondContact CA-OG 3.45Å; L157-S160 PolarHBondContact O-OG 3.5Å; S160-T164 VanDerWaalsContact O-CB 3.28Å; S160-T164 WeakPolarHBondContact O-CB 3.26Å; S160-T164 WeakPolarHBondContact O-CG2 3.35Å; S160-T164 PolarHBondContact O-OG1 3.06Å; S160-F234 VanDerWaalsContact CB-CB 3.41Å; S160-F234 VanDerWaalsContact OG-CB 3.31Å; S160-F234 WeakPolarHBondContact OG-CB 3.26Å; S160-I238 VanDerWaalsContact O-CD1 3.23Å; S160-I238 WeakPolarHBondContact O-CD1 3.21Å
161V94.3Very high92.8Very high37 Ų3733.9 Ų33.922%0.22418%0.181CC..Iπ-helixtrans-91.4-58.5-179-176.20000111L157 T164 I165 I238 F267L157-V161 VanDerWaalsContact O-CB 3.26Å; L157-V161 WeakPolarHBondContact O-CB 3.42Å; L157-V161 WeakPolarHBondContact O-CG2 3.47Å; L157-V161 PolarHBondContact O-N 2.98Å; V161-T164 PolarHBondContact O-OG1 3.29Å; V161-I165 HydrophobicContact CG1-CD1 3.9Å; V161-I165 WeakPolarHBondContact O-CB 3.23Å; V161-I165 WeakPolarHBondContact O-CD1 3.33Å; V161-I165 WeakPolarHBondContact O-CG1 3.45Å; V161-I165 PolarHBondContact O-N 2.79Å; V161-I165 VanDerWaalsContact O-N 3.12Å; V161-I238 HydrophobicContact CB-CD1 4.18Å; V161-I238 HydrophobicContact CG2-CD1 3.58Å; V161-F267 HydrophobicContact CG1-CE1 4.41Å
162I94.6Very high93.5Very high87 Ų8730.9 Ų30.945%0.44617%0.167SC..Iπ-helixtrans-71.7-41.8-175.5-61.1166.1000109.2I158 T164 I165 C166I158-I162 HydrophobicContact CG1-CD1 4.35Å; I158-I162 HydrophobicContact CG2-CD1 4.16Å; I158-I162 WeakPolarHBondContact O-CA 3.44Å; I158-I162 VanDerWaalsContact O-CB 3.29Å; I158-I162 WeakPolarHBondContact O-CB 3.39Å; I158-I162 PolarHBondContact O-N 3.35Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 2.82Å; I162-I165 PolarHBondContact O-N 3.18Å; I162-C166 VanDerWaalsContact O-CB 3.3Å; I162-C166 WeakPolarHBondContact O-CB 2.86Å; I162-C166 PolarHBondContact O-N 3.39Å; I162-C166 PolarHBondContact O-SG 2.83Å
163G95.2Very high94Very high2 Ų233.1 Ų33.12%0.02118%0.181CC..Hα-helixtrans-63-35.2179.100000113.9I158 F159 N167I158-G163 PolarHBondContact O-N 2.97Å; I158-G163 VanDerWaalsContact O-N 3.16Å; F159-G163 WeakPolarHBondContact O-CA 3.22Å; F159-G163 PolarHBondContact O-N 2.96Å; G163-N167 WeakPolarHBondContact O-CB 3.47Å; G163-N167 PolarHBondContact O-N 2.81Å; G163-N167 PolarHBondContact O-ND2 3.21Å
164T95Very high94.5Very high0 Ų033.3 Ų33.30%018%0.182CC..Hα-helixtrans-76.1-44.6178.157.50000111.6S160 V161 I162 C166 N167 F168 V204 N235 I238S160-T164 VanDerWaalsContact O-CB 3.28Å; S160-T164 WeakPolarHBondContact O-CB 3.26Å; S160-T164 WeakPolarHBondContact O-CG2 3.35Å; S160-T164 PolarHBondContact O-OG1 3.06Å; V161-T164 PolarHBondContact O-OG1 3.29Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 2.82Å; T164-C166 VanDerWaalsContact C-N 3.31Å; T164-C166 PolarHBondContact O-N 2.89Å; T164-N167 PolarHBondContact O-N 3.33Å; T164-F168 VanDerWaalsContact O-CB 3.27Å; T164-F168 WeakPolarHBondContact O-CB 3.24Å; T164-F168 PolarHBondContact O-N 3.36Å; T164-V204 HydrophobicContact CG2-CG1 4.12Å; T164-N235 HydrophobicContact CG2-CB 3.61Å; T164-N235 WeakPolarHBondContact CG2-OD1 3.49Å; T164-I238 WeakPolarHBondContact OG1-CG2 3.48Å
165I95.7Very high94.8Very high47 Ų4731.6 Ų31.624%0.24116%0.164CC..Hα-helixtrans-59.2-44.4175.2-67168.5000110.5V161 I162 F168 L169 F267V161-I165 HydrophobicContact CG1-CD1 3.9Å; V161-I165 WeakPolarHBondContact O-CB 3.23Å; V161-I165 WeakPolarHBondContact O-CD1 3.33Å; V161-I165 WeakPolarHBondContact O-CG1 3.45Å; V161-I165 PolarHBondContact O-N 2.79Å; V161-I165 VanDerWaalsContact O-N 3.12Å; I162-I165 PolarHBondContact O-N 3.18Å; I165-F168 WeakPolarHBondContact O-CB 3.41Å; I165-F168 PolarHBondContact O-N 3.49Å; I165-L169 HydrophobicContact CG2-CD1 4.12Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 3.13Å; I165-F267 HydrophobicContact CD1-CE1 4.09Å; I165-F267 HydrophobicContact CD1-CZ 4.16Å
166C96.4Very high95Very high41 Ų4135.3 Ų35.328%0.27718%0.179SC..Hα-helixtrans-61.7-50175.5-730000111.4I162 T164 F168 L169 F170 V394I162-C166 VanDerWaalsContact O-CB 3.3Å; I162-C166 WeakPolarHBondContact O-CB 2.86Å; I162-C166 PolarHBondContact O-N 3.39Å; I162-C166 PolarHBondContact O-SG 2.83Å; T164-C166 VanDerWaalsContact C-N 3.31Å; T164-C166 PolarHBondContact O-N 2.89Å; C166-F168 VanDerWaalsContact C-N 3.28Å; C166-F168 PolarHBondContact O-N 3.23Å; C166-L169 PolarHBondContact O-N 3.48Å; C166-F170 HydrophobicContact CB-CD2 4.29Å; C166-F170 HydrophobicContact CB-CE2 4.48Å; C166-F170 WeakPolarHBondContact O-CB 3.38Å; C166-F170 WeakPolarHBondContact O-CD2 3.26Å; C166-F170 PolarHBondContact O-N 3.27Å; C166-V394 HydrophobicContact CB-CG1 4.16Å; C166-V394 HydrophobicContact CB-CG2 3.81Å
167N96.4Very high95.1Very high2 Ų236.6 Ų36.61%0.01119%0.192CC..Hα-helixtrans-58.2-41.7177.5-83.2-52.5000112.1G163 T164 F170 I171 V204 S390 R391G163-N167 WeakPolarHBondContact O-CB 3.47Å; G163-N167 PolarHBondContact O-N 2.81Å; G163-N167 PolarHBondContact O-ND2 3.21Å; T164-N167 PolarHBondContact O-N 3.33Å; N167-F170 PolarHBondContact O-N 2.81Å; N167-I171 WeakPolarHBondContact O-CB 3.29Å; N167-I171 VanDerWaalsContact O-CG1 3.31Å; N167-I171 WeakPolarHBondContact O-CG1 3.4Å; N167-I171 PolarHBondContact O-N 3.02Å; N167-V204 HydrophobicContact CB-CG1 3.99Å; N167-V204 HydrophobicContact CB-CG2 3.9Å; N167-S390 WeakPolarHBondContact OD1-CB 3.48Å; N167-S390 PolarHBondContact OD1-O 2.99Å; N167-S390 PolarHBondContact OD1-OG 2.99Å; N167-R391 PolarHBondContact OD1-N 3.21Å
168F96.8Very high95.2Very high18 Ų1834.4 Ų34.48%0.07918%0.18CC..Hα-helixtrans-58.4-48.9176.1158.3-107.7000112T164 I165 C166 G172 L197 S200 V204 L242 M246T164-F168 VanDerWaalsContact O-CB 3.27Å; T164-F168 WeakPolarHBondContact O-CB 3.24Å; T164-F168 PolarHBondContact O-N 3.36Å; I165-F168 WeakPolarHBondContact O-CB 3.41Å; I165-F168 PolarHBondContact O-N 3.49Å; C166-F168 VanDerWaalsContact C-N 3.28Å; C166-F168 PolarHBondContact O-N 3.23Å; F168-G172 PolarHBondContact O-N 3.03Å; F168-G172 VanDerWaalsContact O-N 3.14Å; F168-L197 HydrophobicContact CE1-CD2 4.25Å; F168-L197 HydrophobicContact CE2-CB 3.97Å; F168-L197 HydrophobicContact CE2-CD2 3.91Å; F168-L197 WeakPolarHBondContact CE2-O 3.36Å; F168-L197 HydrophobicContact CZ-CB 4.11Å; F168-L197 HydrophobicContact CZ-CD2 3.71Å; F168-L197 HydrophobicContact CZ-CG 4.41Å; F168-S200 VanDerWaalsContact C-OG 3.3Å; F168-S200 VanDerWaalsContact CA-OG 3.29Å; F168-S200 WeakPolarHBondContact CA-OG 3.25Å; F168-S200 WeakPolarHBondContact O-CB 3.22Å; F168-S200 PolarHBondContact O-OG 2.82Å; F168-V204 HydrophobicContact CB-CG2 4.15Å; F168-L242 HydrophobicContact CB-CD1 4.44Å; F168-L242 HydrophobicContact CG-CD1 4.45Å; F168-M246 HydrophobicContact CE2-CG 4.02Å; F168-M246 HydrophobicContact CE2-SD 4.33Å; F168-M246 HydrophobicContact CZ-CG 4.04Å; F168-M246 HydrophobicContact CZ-SD 3.84Å
169L96.4Very high95.1Very high74 Ų7435.5 Ų35.539%0.38718%0.182SC..Hα-helixtrans-68.2-44.7178.6-67.7174.9000111.4I165 C166 I173I165-L169 HydrophobicContact CG2-CD1 4.12Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 3.13Å; C166-L169 PolarHBondContact O-N 3.48Å; L169-I173 HydrophobicContact CB-CD1 4.21Å; L169-I173 VanDerWaalsContact O-CB 3.24Å; L169-I173 WeakPolarHBondContact O-CB 3.28Å; L169-I173 WeakPolarHBondContact O-CD1 3.33Å; L169-I173 WeakPolarHBondContact O-CG1 3.49Å; L169-I173 PolarHBondContact O-N 3.04Å
170F96.4Very high95Very high87 Ų8740.6 Ų40.638%0.38221%0.208SC..Hα-helixtrans-59.8-53.1-179.4-89.5-69.4000112.1C166 N167 I174 V394C166-F170 HydrophobicContact CB-CD2 4.29Å; C166-F170 HydrophobicContact CB-CE2 4.48Å; C166-F170 WeakPolarHBondContact O-CB 3.38Å; C166-F170 WeakPolarHBondContact O-CD2 3.26Å; C166-F170 PolarHBondContact O-N 3.27Å; N167-F170 PolarHBondContact O-N 2.81Å; F170-I174 HydrophobicContact CD1-CD1 3.97Å; F170-I174 VanDerWaalsContact O-CB 3.25Å; F170-I174 WeakPolarHBondContact O-CB 3.07Å; F170-I174 WeakPolarHBondContact O-CD1 3.3Å; F170-I174 WeakPolarHBondContact O-CG1 3.37Å; F170-I174 PolarHBondContact O-N 3.33Å; F170-V394 HydrophobicContact CD2-CG2 3.95Å; F170-V394 HydrophobicContact CE2-CG2 4.29Å
171I96.8Very high94.8Very high0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-63.5-48-178.6-64.2167.3000109.8N167 M175 S200 I203 V204 S390N167-I171 WeakPolarHBondContact O-CB 3.29Å; N167-I171 VanDerWaalsContact O-CG1 3.31Å; N167-I171 WeakPolarHBondContact O-CG1 3.4Å; N167-I171 PolarHBondContact O-N 3.02Å; I171-M175 HydrophobicContact CG2-CG 4.3Å; I171-M175 HydrophobicContact CG2-SD 3.83Å; I171-M175 VanDerWaalsContact O-CB 3.27Å; I171-M175 WeakPolarHBondContact O-CB 3.46Å; I171-M175 WeakPolarHBondContact O-CG 3.49Å; I171-M175 PolarHBondContact O-N 3.31Å; I171-S200 WeakPolarHBondContact CB-OG 3.4Å; I171-I203 HydrophobicContact CD1-CG2 4.15Å; I171-I203 HydrophobicContact CG2-CG2 4.32Å; I171-V204 HydrophobicContact CD1-CG2 4.02Å; I171-S390 WeakPolarHBondContact CD1-OG 3.49Å; I171-S390 WeakPolarHBondContact CG1-OG 3.45Å
172G96.1Very high94.4Very high0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-64.8-45.5-175.900000113.6F168 Y176 S200F168-G172 PolarHBondContact O-N 3.03Å; F168-G172 VanDerWaalsContact O-N 3.14Å; G172-Y176 PolarHBondContact O-N 3.4Å; G172-Y176 VanDerWaalsContact O-N 3.15Å; G172-S200 PolarHBondContact N-OG 2.91Å
173I96.2Very high94.1Very high93 Ų9345.8 Ų45.848%0.47726%0.255SS..Hα-helixtrans-69.8-44.4-179.5-64.9168000110.7L169 Y176 G177L169-I173 HydrophobicContact CB-CD1 4.21Å; L169-I173 VanDerWaalsContact O-CB 3.24Å; L169-I173 WeakPolarHBondContact O-CB 3.28Å; L169-I173 WeakPolarHBondContact O-CD1 3.33Å; L169-I173 WeakPolarHBondContact O-CG1 3.49Å; L169-I173 PolarHBondContact O-N 3.04Å; I173-Y176 PolarHBondContact O-N 2.87Å; I173-G177 PolarHBondContact O-N 2.96Å
174I96.2Very high93.6Very high66 Ų6646.2 Ų46.234%0.33826%0.256SS..Hα-helixtrans-68.6-39.5-178.9-62.9170.4000110.6F170 Y176 G177 I178 L386F170-I174 HydrophobicContact CD1-CD1 3.97Å; F170-I174 VanDerWaalsContact O-CB 3.25Å; F170-I174 WeakPolarHBondContact O-CB 3.07Å; F170-I174 WeakPolarHBondContact O-CD1 3.3Å; F170-I174 WeakPolarHBondContact O-CG1 3.37Å; F170-I174 PolarHBondContact O-N 3.33Å; I174-Y176 VanDerWaalsContact C-N 3.31Å; I174-Y176 PolarHBondContact O-N 3.36Å; I174-G177 PolarHBondContact O-N 2.76Å; I174-G177 VanDerWaalsContact O-N 3.12Å; I174-I178 HydrophobicContact CG2-CD1 4.04Å; I174-I178 HydrophobicContact CG2-CG1 4.36Å; I174-I178 WeakPolarHBondContact O-CG1 3.14Å; I174-I178 PolarHBondContact O-N 3.1Å; I174-L386 HydrophobicContact CB-CD1 4.22Å; I174-L386 HydrophobicContact CB-CD2 4.17Å; I174-L386 HydrophobicContact CG2-CD1 3.88Å; I174-L386 HydrophobicContact CG2-CD2 3.48Å; I174-L386 VanDerWaalsContact CG2-CD2 3.48Å; I174-L386 HydrophobicContact CG2-CG 4.34Å
175M94.4Very high93.1Very high0 Ų048.4 Ų48.40%028%0.279CS..Hα-helixtrans-58.8-43.8173.4-77.2-173.279.500111.7I171 G177 I178 Y179 F184 F196 F199 F379 L386I171-M175 HydrophobicContact CG2-CG 4.3Å; I171-M175 HydrophobicContact CG2-SD 3.83Å; I171-M175 VanDerWaalsContact O-CB 3.27Å; I171-M175 WeakPolarHBondContact O-CB 3.46Å; I171-M175 WeakPolarHBondContact O-CG 3.49Å; I171-M175 PolarHBondContact O-N 3.31Å; M175-G177 VanDerWaalsContact C-N 3.33Å; M175-G177 PolarHBondContact O-N 3.16Å; M175-I178 PolarHBondContact O-N 3.39Å; M175-Y179 PolarHBondContact O-N 2.92Å; M175-F184 HydrophobicContact CB-CZ 4.24Å; M175-F184 HydrophobicContact CE-CE1 4.26Å; M175-F184 HydrophobicContact CE-CZ 3.94Å; M175-F184 HydrophobicContact CG-CZ 4.46Å; M175-F184 VanDerWaalsContact O-CE2 3.23Å; M175-F184 WeakPolarHBondContact O-CE2 3.36Å; M175-F196 HydrophobicContact CB-CD1 3.77Å; M175-F196 HydrophobicContact CB-CE1 4.39Å; M175-F196 HydrophobicContact CB-CG 4.45Å; M175-F196 HydrophobicContact CE-CD1 4.27Å; M175-F199 HydrophobicContact CE-CD1 3.87Å; M175-F199 HydrophobicContact CE-CE1 3.79Å; M175-F199 HydrophobicContact SD-CD1 3.5Å; M175-F199 VanDerWaalsContact SD-CD1 3.5Å; M175-F199 HydrophobicContact SD-CE1 3.5Å; M175-F199 VanDerWaalsContact SD-CE1 3.5Å; M175-F379 HydrophobicContact CE-CD1 4.4Å; M175-F379 HydrophobicContact CE-CD2 3.61Å; M175-F379 HydrophobicContact CE-CE1 4.12Å; M175-F379 HydrophobicContact CE-CE2 3.27Å; M175-F379 HydrophobicContact CE-CG 4.18Å; M175-F379 HydrophobicContact CE-CZ 3.56Å; M175-L386 HydrophobicContact CB-CD1 4.35Å; M175-L386 HydrophobicContact CG-CD1 3.38Å
176Y94.6Very high92.2Very high78 Ų7854.6 Ų54.631%0.30631%0.307SS..Hα-helixtrans-63.8-38174.9179.8-110.9000112.5G172 I173 I174 Y179 I180 I193 F196G172-Y176 PolarHBondContact O-N 3.4Å; G172-Y176 VanDerWaalsContact O-N 3.15Å; I173-Y176 PolarHBondContact O-N 2.87Å; I174-Y176 VanDerWaalsContact C-N 3.31Å; I174-Y176 PolarHBondContact O-N 3.36Å; Y176-Y179 HydrophobicContact CD2-CD1 4.08Å; Y176-Y179 HydrophobicContact CE2-CD1 4.05Å; Y176-Y179 WeakPolarHBondContact O-CB 3.31Å; Y176-Y179 PolarHBondContact O-N 3.48Å; Y176-I180 HydrophobicContact CD1-CD1 3.74Å; Y176-I180 HydrophobicContact CE1-CD1 3.24Å; Y176-I180 HydrophobicContact CE1-CG1 4.14Å; Y176-I180 HydrophobicContact CE2-CD1 4.24Å; Y176-I180 HydrophobicContact CE2-CG1 4.27Å; Y176-I180 HydrophobicContact CG-CD1 4.43Å; Y176-I180 WeakPolarHBondContact O-CG1 3.38Å; Y176-I180 PolarHBondContact O-N 3.36Å; Y176-I193 HydrophobicContact CD1-CB 4.27Å; Y176-I193 HydrophobicContact CD1-CD1 3.63Å; Y176-I193 HydrophobicContact CD1-CG1 3.96Å; Y176-I193 HydrophobicContact CD2-CB 3.9Å; Y176-I193 HydrophobicContact CD2-CG1 4.22Å; Y176-I193 HydrophobicContact CE1-CB 4.37Å; Y176-I193 HydrophobicContact CE1-CD1 4Å; Y176-I193 HydrophobicContact CE1-CG1 4.46Å; Y176-I193 HydrophobicContact CE2-CB 4.04Å; Y176-I193 HydrophobicContact CG-CB 4.01Å; Y176-I193 HydrophobicContact CG-CD1 4.03Å; Y176-I193 HydrophobicContact CG-CG1 3.81Å; Y176-F196 AromaticContact CD2-CD2 3.89Å; Y176-F196 HydrophobicContact CD2-CD2 3.89Å; Y176-F196 HydrophobicContact CD2-CE2 4.04Å
177G94.3Very high91.5Very high26 Ų2655.7 Ų55.727%0.26831%0.314SS..Hα-helixtrans-59.5-46.1172.700000112.7I173 I174 M175 Y179 I180 I181I173-G177 PolarHBondContact O-N 2.96Å; I174-G177 PolarHBondContact O-N 2.76Å; I174-G177 VanDerWaalsContact O-N 3.12Å; M175-G177 VanDerWaalsContact C-N 3.33Å; M175-G177 PolarHBondContact O-N 3.16Å; G177-Y179 VanDerWaalsContact C-N 3.28Å; G177-Y179 PolarHBondContact O-N 3.03Å; G177-I180 PolarHBondContact O-N 3.35Å; G177-I181 WeakPolarHBondContact O-CD1 3.5Å; G177-I181 VanDerWaalsContact O-CG1 3.29Å; G177-I181 WeakPolarHBondContact O-CG1 3.4Å; G177-I181 PolarHBondContact O-N 3.49Å; G177-I181 VanDerWaalsContact O-N 3.12Å
178I93.1Very high90.5Very high19 Ų1963.9 Ų63.910%0.09735%0.349CS..Hα-helixtrans-63.7-35.9176.3-65.2170.6000111.1I174 M175 I181 G182 G183 F184 W382 L386I174-I178 HydrophobicContact CG2-CD1 4.04Å; I174-I178 HydrophobicContact CG2-CG1 4.36Å; I174-I178 WeakPolarHBondContact O-CG1 3.14Å; I174-I178 PolarHBondContact O-N 3.1Å; M175-I178 PolarHBondContact O-N 3.39Å; I178-I181 PolarHBondContact O-N 2.81Å; I178-G182 PolarHBondContact O-N 3.39Å; I178-G182 VanDerWaalsContact O-N 3.17Å; I178-G183 PolarHBondContact O-N 3Å; I178-F184 HydrophobicContact CB-CE2 4.36Å; I178-F184 HydrophobicContact CB-CZ 4.41Å; I178-F184 HydrophobicContact CG2-CD2 4.4Å; I178-F184 HydrophobicContact CG2-CE1 4.38Å; I178-F184 HydrophobicContact CG2-CE2 4.24Å; I178-F184 HydrophobicContact CG2-CZ 4.23Å; I178-W382 HydrophobicContact CD1-CB 4.4Å; I178-W382 HydrophobicContact CD1-CD2 3.72Å; I178-W382 HydrophobicContact CD1-CE3 3.59Å; I178-W382 HydrophobicContact CD1-CG 4.1Å; I178-W382 HydrophobicContact CD1-CZ3 4.05Å; I178-W382 HydrophobicContact CG2-CD2 4.27Å; I178-W382 HydrophobicContact CG2-CG 4.15Å; I178-L386 HydrophobicContact CD1-CD1 3.86Å; I178-L386 HydrophobicContact CD1-CG 4.47Å
179Y91.2Very high89.7Confident65 Ų6563.2 Ų63.226%0.25535%0.346SS..Hα-helixtrans-60.2-49.1173.5171.1-114.5000112.4M175 Y176 G177 I181 G182 F184 L189 F196M175-Y179 PolarHBondContact O-N 2.92Å; Y176-Y179 HydrophobicContact CD2-CD1 4.08Å; Y176-Y179 HydrophobicContact CE2-CD1 4.05Å; Y176-Y179 WeakPolarHBondContact O-CB 3.31Å; Y176-Y179 PolarHBondContact O-N 3.48Å; G177-Y179 VanDerWaalsContact C-N 3.28Å; G177-Y179 PolarHBondContact O-N 3.03Å; Y179-I181 VanDerWaalsContact C-N 3.27Å; Y179-I181 PolarHBondContact O-N 3.5Å; Y179-G182 PolarHBondContact O-N 3.15Å; Y179-F184 HydrophobicContact CD2-CD2 4.17Å; Y179-F184 HydrophobicContact CG-CD2 4.45Å; Y179-L189 WeakPolarHBondContact CE2-O 3.31Å; Y179-L189 PolarHBondContact OH-O 2.87Å; Y179-L189 VanDerWaalsContact OH-O 3.14Å; Y179-F196 HydrophobicContact CD1-CE2 4.01Å; Y179-F196 HydrophobicContact CD1-CZ 4.29Å; Y179-F196 HydrophobicContact CD2-CZ 4.16Å; Y179-F196 AromaticContact CG-CE2 3.99Å; Y179-F196 HydrophobicContact CG-CE2 3.99Å; Y179-F196 AromaticContact CG-CZ 3.79Å; Y179-F196 HydrophobicContact CG-CZ 3.79Å
180I90.6Very high88.9Confident110 Ų11064.5 Ų64.556%0.56435%0.354SS*.Hα-helixtrans-60.7-39.4179.1-67.2163.1000111.2Y176 G177 G182Y176-I180 HydrophobicContact CD1-CD1 3.74Å; Y176-I180 HydrophobicContact CE1-CD1 3.24Å; Y176-I180 HydrophobicContact CE1-CG1 4.14Å; Y176-I180 HydrophobicContact CE2-CD1 4.24Å; Y176-I180 HydrophobicContact CE2-CG1 4.27Å; Y176-I180 HydrophobicContact CG-CD1 4.43Å; Y176-I180 WeakPolarHBondContact O-CG1 3.38Å; Y176-I180 PolarHBondContact O-N 3.36Å; G177-I180 PolarHBondContact O-N 3.35Å; I180-G182 PolarHBondContact O-N 2.92Å
181I90.3Very high88.2Confident145 Ų14560.6 Ų60.674%0.74434%0.337SS*.Hα-helixtrans-69.9-14.6178.3-62.9162.8000111.5G177 I178 Y179G177-I181 WeakPolarHBondContact O-CD1 3.5Å; G177-I181 VanDerWaalsContact O-CG1 3.29Å; G177-I181 WeakPolarHBondContact O-CG1 3.4Å; G177-I181 PolarHBondContact O-N 3.49Å; G177-I181 VanDerWaalsContact O-N 3.12Å; I178-I181 PolarHBondContact O-N 2.81Å; Y179-I181 VanDerWaalsContact C-N 3.27Å; Y179-I181 PolarHBondContact O-N 3.5Å
182G86.2Confident87.7Confident52 Ų5264.9 Ų64.954%0.53636%0.36SS..THydrogen-bonded Turntrans8017.2-176.400000113.7I178 Y179 I180 F184 G185I178-G182 PolarHBondContact O-N 3.39Å; I178-G182 VanDerWaalsContact O-N 3.17Å; Y179-G182 PolarHBondContact O-N 3.15Å; I180-G182 PolarHBondContact O-N 2.92Å; G182-F184 PolarHBondContact O-N 2.74Å; G182-G185 PolarHBondContact O-N 3.25Å
183G87.2Confident87.4Confident36 Ų3668.1 Ų68.137%0.37138%0.376SS..THydrogen-bonded Turntrans-71.8-7.4-175.700000115.2I178 W382I178-G183 PolarHBondContact O-N 3Å; G183-W382 PolarHBondContact O-NE1 3.26Å
184F85.5Confident87.2Confident11 Ų1164.8 Ų64.85%0.04836%0.358CS..THydrogen-bonded Turntrans-79.4-19.3177.9-79.4-53.5000113.8M175 I178 Y179 G182 F196 H376 G378 F379 W382M175-F184 HydrophobicContact CB-CZ 4.24Å; M175-F184 HydrophobicContact CE-CE1 4.26Å; M175-F184 HydrophobicContact CE-CZ 3.94Å; M175-F184 HydrophobicContact CG-CZ 4.46Å; M175-F184 VanDerWaalsContact O-CE2 3.23Å; M175-F184 WeakPolarHBondContact O-CE2 3.36Å; I178-F184 HydrophobicContact CB-CE2 4.36Å; I178-F184 HydrophobicContact CB-CZ 4.41Å; I178-F184 HydrophobicContact CG2-CD2 4.4Å; I178-F184 HydrophobicContact CG2-CE1 4.38Å; I178-F184 HydrophobicContact CG2-CE2 4.24Å; I178-F184 HydrophobicContact CG2-CZ 4.23Å; Y179-F184 HydrophobicContact CD2-CD2 4.17Å; Y179-F184 HydrophobicContact CG-CD2 4.45Å; G182-F184 PolarHBondContact O-N 2.74Å; F184-F196 AromaticContact CE2-CE1 3.71Å; F184-F196 HydrophobicContact CE2-CE1 3.71Å; F184-F196 HydrophobicContact CE2-CZ 4.09Å; F184-F196 HydrophobicContact CZ-CE1 4.07Å; F184-H376 PolarHBondContact O-CE1 2.85Å; F184-G378 WeakPolarHBondContact CD1-O 3.28Å; F184-G378 WeakPolarHBondContact O-CA 3.44Å; F184-F379 HydrophobicContact CD1-CB 4.17Å; F184-F379 HydrophobicContact CE1-CB 4.24Å; F184-F379 HydrophobicContact CE1-CD2 4.06Å; F184-F379 HydrophobicContact CE1-CG 4.47Å; F184-F379 HydrophobicContact CZ-CD2 4.22Å; F184-W382 AromaticContact CD1-CD1 3.94Å; F184-W382 HydrophobicContact CE1-CB 3.84Å; F184-W382 HydrophobicContact CE1-CG 4.26Å
185G83.5Confident87Confident47 Ų4762 Ų6249%0.48534%0.344SS..  trans81.9-161-176.300000113.6G182G182-G185 PolarHBondContact O-N 3.25Å
186Q78.7Confident86.9Confident177 Ų17762 Ų6283%0.82734%0.344SS*.SBendtrans-102.3148.4176-62.2-151.60.300110.9
187P80.1Confident87Confident64 Ų6459.7 Ų59.742%0.41634%0.337SS..SBendcis-75.7149.7-0.929.7-35.1000113.9L189 H376 Y448P187-L189 PolarHBondContact O-N 3.23Å; P187-H376 PolarHBondContact O-NE2 3.26Å; P187-Y448 VanDerWaalsContact CG-OH 3.26Å; P187-Y448 WeakPolarHBondContact CG-OH 3.37Å
188K75.8Confident87Confident174 Ų17458.4 Ų58.476%0.75732%0.324SS*.PPolyproline II helixtrans-62.9120.8178.6-70.2-175.1179.2-178.30110.7N190K188-N190 PolarHBondContact O-N 3.34Å
189L79.3Confident87.1Confident3 Ų357.6 Ų57.62%0.01632%0.319CS..  trans-82.4103.3175.3-62.1174.3000109.1Y179 P187 M191 F379 Y448 I452Y179-L189 WeakPolarHBondContact CE2-O 3.31Å; Y179-L189 PolarHBondContact OH-O 2.87Å; Y179-L189 VanDerWaalsContact OH-O 3.14Å; P187-L189 PolarHBondContact O-N 3.23Å; L189-M191 HydrophobicContact CB-CG 4.18Å; L189-M191 HydrophobicContact CD1-CE 4.49Å; L189-M191 HydrophobicContact CD2-CE 4.38Å; L189-M191 PolarHBondContact O-N 3.46Å; L189-F379 HydrophobicContact CD1-CB 4.06Å; L189-F379 HydrophobicContact CD1-CD2 3.79Å; L189-F379 HydrophobicContact CD1-CG 4.22Å; L189-Y448 HydrophobicContact CD2-CE1 4.34Å; L189-I452 HydrophobicContact CD2-CD1 3.52Å
190N79.8Confident87.4Confident102 Ų10254.5 Ų54.555%0.54531%0.307SS..  trans-76.959.6177.9-71.9-10.3000111.2K188K188-N190 PolarHBondContact O-N 3.34Å
191M81.5Confident87.6Confident5 Ų549.2 Ų49.23%0.02528%0.28CS..  trans-99.6138-178.7-65.3-163.1-171.600111.5L189 L195 F196 F379 H449L189-M191 HydrophobicContact CB-CG 4.18Å; L189-M191 HydrophobicContact CD1-CE 4.49Å; L189-M191 HydrophobicContact CD2-CE 4.38Å; L189-M191 PolarHBondContact O-N 3.46Å; M191-L195 HydrophobicContact CB-CB 4.4Å; M191-L195 HydrophobicContact CB-CD2 3.86Å; M191-L195 HydrophobicContact CE-CD2 4.3Å; M191-L195 HydrophobicContact CG-CD2 3.49Å; M191-L195 VanDerWaalsContact CG-CD2 3.49Å; M191-L195 HydrophobicContact CG-CG 4.38Å; M191-L195 HydrophobicContact SD-CD2 3.46Å; M191-L195 WeakPolarHBondContact SD-CD2 3.22Å; M191-L195 HydrophobicContact SD-CG 3.87Å; M191-F196 HydrophobicContact CB-CD2 4.35Å; M191-F196 HydrophobicContact CB-CE2 3.71Å; M191-F196 HydrophobicContact CB-CZ 3.98Å; M191-F379 HydrophobicContact SD-CE2 4.4Å; M191-H449 HydrophobicContact CE-CB 4.04Å
192N87.2Confident87.8Confident89 Ų8942.3 Ų42.348%0.47625%0.245SC..  trans-79.6159.6171.9-67.9-27000111K194 L195 F196N192-K194 PolarHBondContact O-N 3.48Å; N192-K194 VanDerWaalsContact O-N 3.13Å; N192-L195 WeakPolarHBondContact O-CB 3.44Å; N192-L195 PolarHBondContact O-N 3.16Å; N192-F196 WeakPolarHBondContact O-CD2 3.24Å; N192-F196 PolarHBondContact O-N 3.36Å
193I90.6Very high88.3Confident68 Ų6839.9 Ų39.935%0.34922%0.22SC..Hα-helixtrans-53-35.9175.5-169.5169.3000113Y176 L195 F196 L197Y176-I193 HydrophobicContact CD1-CB 4.27Å; Y176-I193 HydrophobicContact CD1-CD1 3.63Å; Y176-I193 HydrophobicContact CD1-CG1 3.96Å; Y176-I193 HydrophobicContact CD2-CB 3.9Å; Y176-I193 HydrophobicContact CD2-CG1 4.22Å; Y176-I193 HydrophobicContact CE1-CB 4.37Å; Y176-I193 HydrophobicContact CE1-CD1 4Å; Y176-I193 HydrophobicContact CE1-CG1 4.46Å; Y176-I193 HydrophobicContact CE2-CB 4.04Å; Y176-I193 HydrophobicContact CG-CB 4.01Å; Y176-I193 HydrophobicContact CG-CD1 4.03Å; Y176-I193 HydrophobicContact CG-CG1 3.81Å; I193-L195 PolarHBondContact O-N 2.6Å; I193-F196 PolarHBondContact O-N 3Å; I193-L197 HydrophobicContact CG1-CD1 4.35Å; I193-L197 PolarHBondContact O-N 2.95Å
194K91.1Very high88.6Confident24 Ų2438.2 Ų38.210%0.10420%0.202CC..Hα-helixtrans-56.5-35.7177-58-171.3-59.6174.90112N192 L197 L198 M246 F249 N250 N252 L255N192-K194 PolarHBondContact O-N 3.48Å; N192-K194 VanDerWaalsContact O-N 3.13Å; K194-L197 PolarHBondContact O-N 3.32Å; K194-L198 WeakPolarHBondContact O-CB 3.43Å; K194-L198 PolarHBondContact O-N 2.9Å; K194-M246 HydrophobicContact CB-CE 4.46Å; K194-M246 WeakPolarHBondContact O-CE 3.33Å; K194-F249 WeakPolarHBondContact CD-O 3.39Å; K194-F249 PolarHBondContact NZ-O 3.46Å; K194-F249 VanDerWaalsContact NZ-O 3.08Å; K194-N250 WeakPolarHBondContact CB-OD1 3.4Å; K194-N250 PolarHBondContact NZ-O 2.87Å; K194-N252 PolarHBondContact NZ-O 3.26Å; K194-L255 HydrophobicContact CD-CD1 3.57Å; K194-L255 HydrophobicContact CD-CG 4.1Å; K194-L255 HydrophobicContact CG-CD1 4.07Å
195L91.4Very high89Confident7 Ų737.8 Ų37.84%0.03720%0.201CC..Hα-helixtrans-79.3-34.3-178.6-171.758.7000112.5M191 N192 I193 L197 L198 F199 F442 I453M191-L195 HydrophobicContact CB-CB 4.4Å; M191-L195 HydrophobicContact CB-CD2 3.86Å; M191-L195 HydrophobicContact CE-CD2 4.3Å; M191-L195 HydrophobicContact CG-CD2 3.49Å; M191-L195 VanDerWaalsContact CG-CD2 3.49Å; M191-L195 HydrophobicContact CG-CG 4.38Å; M191-L195 HydrophobicContact SD-CD2 3.46Å; M191-L195 WeakPolarHBondContact SD-CD2 3.22Å; M191-L195 HydrophobicContact SD-CG 3.87Å; N192-L195 WeakPolarHBondContact O-CB 3.44Å; N192-L195 PolarHBondContact O-N 3.16Å; I193-L195 PolarHBondContact O-N 2.6Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L198 HydrophobicContact CD1-CB 4.33Å; L195-L198 HydrophobicContact CD1-CD2 3.83Å; L195-L198 PolarHBondContact O-N 3.46Å; L195-F199 PolarHBondContact O-N 3.29Å; L195-F442 HydrophobicContact CD1-CD1 3.92Å; L195-F442 HydrophobicContact CD1-CE1 3.41Å; L195-F442 VanDerWaalsContact CD1-CE1 3.41Å; L195-F442 HydrophobicContact CD1-CZ 4.05Å; L195-F442 HydrophobicContact CD2-CD1 3.36Å; L195-F442 HydrophobicContact CD2-CE1 3.48Å; L195-F442 VanDerWaalsContact CD2-CE1 3.48Å; L195-F442 HydrophobicContact CG-CD1 4.28Å; L195-F442 HydrophobicContact CG-CE1 4Å; L195-I453 HydrophobicContact CD1-CD1 3.92Å; L195-I453 HydrophobicContact CG-CD1 4.32Å
196F94.2Very high89.3Confident0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-64.4-39.3168.8-69.4-76000111.5M175 Y176 Y179 F184 M191 N192 I193 S200 F379M175-F196 HydrophobicContact CB-CD1 3.77Å; M175-F196 HydrophobicContact CB-CE1 4.39Å; M175-F196 HydrophobicContact CB-CG 4.45Å; M175-F196 HydrophobicContact CE-CD1 4.27Å; Y176-F196 AromaticContact CD2-CD2 3.89Å; Y176-F196 HydrophobicContact CD2-CD2 3.89Å; Y176-F196 HydrophobicContact CD2-CE2 4.04Å; Y179-F196 HydrophobicContact CD1-CE2 4.01Å; Y179-F196 HydrophobicContact CD1-CZ 4.29Å; Y179-F196 HydrophobicContact CD2-CZ 4.16Å; Y179-F196 AromaticContact CG-CE2 3.99Å; Y179-F196 HydrophobicContact CG-CE2 3.99Å; Y179-F196 AromaticContact CG-CZ 3.79Å; Y179-F196 HydrophobicContact CG-CZ 3.79Å; F184-F196 AromaticContact CE2-CE1 3.71Å; F184-F196 HydrophobicContact CE2-CE1 3.71Å; F184-F196 HydrophobicContact CE2-CZ 4.09Å; F184-F196 HydrophobicContact CZ-CE1 4.07Å; M191-F196 HydrophobicContact CB-CD2 4.35Å; M191-F196 HydrophobicContact CB-CE2 3.71Å; M191-F196 HydrophobicContact CB-CZ 3.98Å; N192-F196 WeakPolarHBondContact O-CD2 3.24Å; N192-F196 PolarHBondContact O-N 3.36Å; I193-F196 PolarHBondContact O-N 3Å; F196-S200 VanDerWaalsContact O-CB 3.29Å; F196-S200 WeakPolarHBondContact O-CB 3.38Å; F196-S200 PolarHBondContact O-N 3.34Å; F196-F379 HydrophobicContact CD1-CE2 4.09Å; F196-F379 HydrophobicContact CE1-CD2 4.26Å; F196-F379 AromaticContact CE1-CE2 3.81Å; F196-F379 HydrophobicContact CE1-CE2 3.81Å
197L95.1Very high89.8Confident29 Ų2928.4 Ų28.415%0.15215%0.145CC..Hα-helixtrans-65.5-41.3171.2-72.8167.4000111.4F168 I193 K194 L195 F199 S200 S201 M246F168-L197 HydrophobicContact CE1-CD2 4.25Å; F168-L197 HydrophobicContact CE2-CB 3.97Å; F168-L197 HydrophobicContact CE2-CD2 3.91Å; F168-L197 WeakPolarHBondContact CE2-O 3.36Å; F168-L197 HydrophobicContact CZ-CB 4.11Å; F168-L197 HydrophobicContact CZ-CD2 3.71Å; F168-L197 HydrophobicContact CZ-CG 4.41Å; I193-L197 HydrophobicContact CG1-CD1 4.35Å; I193-L197 PolarHBondContact O-N 2.95Å; K194-L197 PolarHBondContact O-N 3.32Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L197-F199 PolarHBondContact O-N 3.21Å; L197-S200 CarbonylContact O-C 3.56Å; L197-S200 WeakPolarHBondContact O-CA 3.37Å; L197-S200 WeakPolarHBondContact O-CB 3.33Å; L197-S200 PolarHBondContact O-N 3.22Å; L197-S200 VanDerWaalsContact O-N 3.12Å; L197-S201 PolarHBondContact O-N 3.49Å; L197-M246 HydrophobicContact CB-CE 3.72Å; L197-M246 HydrophobicContact CB-SD 4.09Å; L197-M246 HydrophobicContact CD1-CE 4.42Å
198L94.5Very high90Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-58.9-48.4175-178.166.4000111.5K194 L195 S200 S201 L202 N243 M246 I247 I437 I441K194-L198 WeakPolarHBondContact O-CB 3.43Å; K194-L198 PolarHBondContact O-N 2.9Å; L195-L198 HydrophobicContact CD1-CB 4.33Å; L195-L198 HydrophobicContact CD1-CD2 3.83Å; L195-L198 PolarHBondContact O-N 3.46Å; L198-S200 VanDerWaalsContact C-N 3.28Å; L198-S200 PolarHBondContact O-N 3.3Å; L198-S201 PolarHBondContact O-N 3.41Å; L198-S201 PolarHBondContact O-OG 3.44Å; L198-L202 PolarHBondContact O-N 3.49Å; L198-N243 WeakPolarHBondContact CD1-ND2 3.4Å; L198-M246 HydrophobicContact CB-CB 4.31Å; L198-M246 HydrophobicContact CD1-CB 3.67Å; L198-I247 HydrophobicContact CD1-CG1 3.77Å; L198-I437 HydrophobicContact CD2-CD1 3.95Å; L198-I437 HydrophobicContact CD2-CG1 4.33Å; L198-I437 HydrophobicContact CD2-CG2 3.99Å; L198-I437 HydrophobicContact CG-CD1 4.26Å; L198-I441 HydrophobicContact CD2-CG2 4.3Å
199F95.3Very high90.3Very high1 Ų119.3 Ų19.30%0.00410%0.103CC..Hα-helixtrans-59.9-39.2173.4172.6-98.7000112.4M175 L195 L197 L202 I203 F379 I453 T456 T457 I460M175-F199 HydrophobicContact CE-CD1 3.87Å; M175-F199 HydrophobicContact CE-CE1 3.79Å; M175-F199 HydrophobicContact SD-CD1 3.5Å; M175-F199 VanDerWaalsContact SD-CD1 3.5Å; M175-F199 HydrophobicContact SD-CE1 3.5Å; M175-F199 VanDerWaalsContact SD-CE1 3.5Å; L195-F199 PolarHBondContact O-N 3.29Å; L197-F199 PolarHBondContact O-N 3.21Å; F199-L202 HydrophobicContact CD2-CD1 4.25Å; F199-L202 VanDerWaalsContact O-CG 3.26Å; F199-L202 WeakPolarHBondContact O-CG 3.38Å; F199-I203 HydrophobicContact CE1-CG2 4.15Å; F199-I203 HydrophobicContact CZ-CB 4.36Å; F199-I203 HydrophobicContact CZ-CG1 4.39Å; F199-I203 HydrophobicContact CZ-CG2 4.46Å; F199-I203 WeakPolarHBondContact O-CG2 3.46Å; F199-I203 PolarHBondContact O-N 2.87Å; F199-F379 HydrophobicContact CB-CZ 4.33Å; F199-F379 HydrophobicContact CD1-CE1 4.32Å; F199-F379 AromaticContact CD1-CZ 3.88Å; F199-F379 HydrophobicContact CD1-CZ 3.88Å; F199-F379 AromaticContact CD2-CE1 3.9Å; F199-F379 HydrophobicContact CD2-CE1 3.9Å; F199-F379 AromaticContact CD2-CZ 3.89Å; F199-F379 HydrophobicContact CD2-CZ 3.89Å; F199-F379 HydrophobicContact CE1-CE1 4.2Å; F199-F379 HydrophobicContact CE1-CZ 4.17Å; F199-F379 AromaticContact CE2-CE1 3.75Å; F199-F379 HydrophobicContact CE2-CE1 3.75Å; F199-F379 HydrophobicContact CE2-CZ 4.17Å; F199-F379 HydrophobicContact CG-CE1 4.18Å; F199-F379 AromaticContact CG-CZ 3.74Å; F199-F379 HydrophobicContact CG-CZ 3.74Å; F199-F379 AromaticContact CZ-CE1 3.92Å; F199-F379 HydrophobicContact CZ-CE1 3.92Å; F199-F379 HydrophobicContact CZ-CZ 4.3Å; F199-I453 HydrophobicContact CD2-CB 4.45Å; F199-I453 HydrophobicContact CD2-CG1 4.18Å; F199-I453 HydrophobicContact CD2-CG2 3.99Å; F199-T456 HydrophobicContact CE2-CG2 3.84Å; F199-T456 HydrophobicContact CZ-CG2 3.67Å; F199-T457 HydrophobicContact CD2-CG2 4.43Å; F199-T457 HydrophobicContact CE2-CG2 3.87Å; F199-I460 HydrophobicContact CZ-CD1 4.21Å
200S96.9Very high90.5Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-63.3-43.4175.7-171.60000111.8F168 I171 G172 F196 L197 L198 L202 I203 V204F168-S200 VanDerWaalsContact C-OG 3.3Å; F168-S200 VanDerWaalsContact CA-OG 3.29Å; F168-S200 WeakPolarHBondContact CA-OG 3.25Å; F168-S200 WeakPolarHBondContact O-CB 3.22Å; F168-S200 PolarHBondContact O-OG 2.82Å; I171-S200 WeakPolarHBondContact CB-OG 3.4Å; G172-S200 PolarHBondContact N-OG 2.91Å; F196-S200 VanDerWaalsContact O-CB 3.29Å; F196-S200 WeakPolarHBondContact O-CB 3.38Å; F196-S200 PolarHBondContact O-N 3.34Å; L197-S200 CarbonylContact O-C 3.56Å; L197-S200 WeakPolarHBondContact O-CA 3.37Å; L197-S200 WeakPolarHBondContact O-CB 3.33Å; L197-S200 PolarHBondContact O-N 3.22Å; L197-S200 VanDerWaalsContact O-N 3.12Å; L198-S200 VanDerWaalsContact C-N 3.28Å; L198-S200 PolarHBondContact O-N 3.3Å; S200-L202 VanDerWaalsContact C-N 3.29Å; S200-L202 PolarHBondContact O-N 3.45Å; S200-I203 PolarHBondContact O-N 3.29Å; S200-V204 WeakPolarHBondContact O-CG2 3.3Å; S200-V204 PolarHBondContact O-N 3.2Å
201S95.9Very high90.7Very high0 Ų014.8 Ų14.80%08%0.08CC..Hα-helixtrans-59.4-41.2-177.268.30000111.7L197 L198 T239 N243L197-S201 PolarHBondContact O-N 3.49Å; L198-S201 PolarHBondContact O-N 3.41Å; L198-S201 PolarHBondContact O-OG 3.44Å; S201-T239 WeakPolarHBondContact O-CG2 3.23Å; S201-N243 WeakPolarHBondContact OG-CA 3.46Å; S201-N243 PolarHBondContact OG-ND2 2.91Å
202L94.6Very high90.9Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-77.3-35-179.860.889.2000113.4L198 F199 S200 V204 A430 L433 A434 I437 I453 T457L198-L202 PolarHBondContact O-N 3.49Å; F199-L202 HydrophobicContact CD2-CD1 4.25Å; F199-L202 VanDerWaalsContact O-CG 3.26Å; F199-L202 WeakPolarHBondContact O-CG 3.38Å; S200-L202 VanDerWaalsContact C-N 3.29Å; S200-L202 PolarHBondContact O-N 3.45Å; L202-V204 PolarHBondContact O-N 2.88Å; L202-A430 VanDerWaalsContact O-CA 3.32Å; L202-A430 WeakPolarHBondContact O-CA 3.35Å; L202-A430 WeakPolarHBondContact O-CB 3.36Å; L202-L433 HydrophobicContact CB-CB 3.67Å; L202-L433 HydrophobicContact CB-CD1 4.1Å; L202-A434 HydrophobicContact CD1-CB 4.27Å; L202-A434 HydrophobicContact CD2-CB 4.31Å; L202-I437 HydrophobicContact CD2-CD1 3.73Å; L202-I453 HydrophobicContact CD2-CG2 4.04Å; L202-T457 HydrophobicContact CD1-CG2 3.22Å
203I95.3Very high90.7Very high1 Ų113.3 Ų13.31%0.0058%0.079CC..Hα-helixtrans-79.4-11.7-175.1-160.556.1000112.1I171 F199 S200 A205 R426 A430 T457 I460I171-I203 HydrophobicContact CD1-CG2 4.15Å; I171-I203 HydrophobicContact CG2-CG2 4.32Å; F199-I203 HydrophobicContact CE1-CG2 4.15Å; F199-I203 HydrophobicContact CZ-CB 4.36Å; F199-I203 HydrophobicContact CZ-CG1 4.39Å; F199-I203 HydrophobicContact CZ-CG2 4.46Å; F199-I203 WeakPolarHBondContact O-CG2 3.46Å; F199-I203 PolarHBondContact O-N 2.87Å; S200-I203 PolarHBondContact O-N 3.29Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-R426 HydrophobicContact CD1-CG 4.11Å; I203-R426 VanDerWaalsContact O-CD 3.22Å; I203-R426 WeakPolarHBondContact O-CD 3.31Å; I203-R426 PolarHBondContact O-NE 2.93Å; I203-R426 PolarHBondContact O-NH1 3.38Å; I203-A430 HydrophobicContact CD1-CB 4.39Å; I203-T457 HydrophobicContact CD1-CG2 4.35Å; I203-I460 HydrophobicContact CD1-CB 4.19Å; I203-I460 HydrophobicContact CD1-CD1 3.97Å; I203-I460 HydrophobicContact CD1-CG2 3.96Å; I203-I460 HydrophobicContact CG1-CD1 4.05Å
204V95.1Very high90.2Very high1 Ų110.9 Ų10.91%0.0067%0.067CC..THydrogen-bonded Turntrans-76.1-17179.2169.60000113.4T164 N167 F168 I171 S200 L202 V206 N235 R426T164-V204 HydrophobicContact CG2-CG1 4.12Å; N167-V204 HydrophobicContact CB-CG1 3.99Å; N167-V204 HydrophobicContact CB-CG2 3.9Å; F168-V204 HydrophobicContact CB-CG2 4.15Å; I171-V204 HydrophobicContact CD1-CG2 4.02Å; S200-V204 WeakPolarHBondContact O-CG2 3.3Å; S200-V204 PolarHBondContact O-N 3.2Å; L202-V204 PolarHBondContact O-N 2.88Å; V204-V206 PolarHBondContact O-N 3.33Å; V204-N235 PolarHBondContact O-ND2 2.64Å; V204-N235 PolarHBondContact O-OD1 3.25Å; V204-R426 PolarHBondContact O-NH1 3.11Å
205A92.8Very high89.8Confident1 Ų19.9 Ų9.91%0.0086%0.062CC..  trans-56.8133.1170.500000110.8I203 T239 R426 V429 A430I203-A205 VanDerWaalsContact C-N 3.32Å; A205-T239 HydrophobicContact CB-CG2 3.65Å; A205-T239 PolarHBondContact N-OG1 3.47Å; A205-R426 WeakPolarHBondContact O-CD 3.4Å; A205-R426 PolarHBondContact O-NH1 3.14Å; A205-V429 HydrophobicContact CB-CB 4.02Å; A205-V429 HydrophobicContact CB-CG1 3.94Å; A205-A430 HydrophobicContact CB-CB 4.4Å
206V90.7Very high89.2Confident4 Ų415.4 Ų15.42%0.0249%0.088CC..  trans-120.3133-177.1169.70000108.7V204 S232 N235 G424 L425V204-V206 PolarHBondContact O-N 3.33Å; V206-S232 WeakPolarHBondContact O-CB 3.38Å; V206-N235 WeakPolarHBondContact CB-ND2 3.5Å; V206-N235 WeakPolarHBondContact CG2-ND2 3.49Å; V206-N235 PolarHBondContact N-ND2 3.22Å; V206-G424 VanDerWaalsContact CG1-CA 3.47Å; V206-L425 CarbonylContact C-O 3.57Å; V206-L425 VanDerWaalsContact CA-O 3.31Å; V206-L425 WeakPolarHBondContact CA-O 3.46Å
207D88.4Confident88.4Confident23 Ų2321.2 Ų21.212%0.12312%0.119CC..BIsolated β-bridgetrans-116.5113.7179.1-177.6-7.4000110.1V209 L425D207-V209 WeakPolarHBondContact OD1-CB 3.35Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.41Å; D207-V209 PolarHBondContact OD1-N 3.39Å; D207-V209 VanDerWaalsContact OD1-N 3.08Å; D207-L425 PolarHBondContact N-O 2.99Å; D207-L425 WeakPolarHBondContact O-CB 3.36Å
208P84.1Confident87.5Confident8 Ų822.2 Ų22.25%0.05212%0.124CC..  trans-969.1-174.743-43000112.6A210 V211 L212 V228 S232P208-A210 VanDerWaalsContact C-N 3.32Å; P208-A210 PolarHBondContact O-N 2.96Å; P208-V211 CarbonylContact O-C 3.59Å; P208-V211 WeakPolarHBondContact O-CA 3.35Å; P208-V211 WeakPolarHBondContact O-CB 3.45Å; P208-V211 PolarHBondContact O-N 2.95Å; P208-L212 HydrophobicContact CB-CD1 4.09Å; P208-L212 HydrophobicContact CB-CG 3.94Å; P208-L212 HydrophobicContact CG-CD1 3.5Å; P208-L212 HydrophobicContact CG-CG 3.93Å; P208-L212 WeakPolarHBondContact O-CG 3.34Å; P208-L212 PolarHBondContact O-N 2.88Å; P208-V228 HydrophobicContact CB-CG1 3.69Å; P208-S232 WeakPolarHBondContact CD-OG 3.47Å; P208-S232 WeakPolarHBondContact CG-OG 3.19Å
209V82.5Confident86.5Confident39 Ų3923.8 Ų23.824%0.23614%0.14CC..Hα-helixtrans-50.3-48.2-168.61650000112.9D207 V211 L212 A213D207-V209 WeakPolarHBondContact OD1-CB 3.35Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.41Å; D207-V209 PolarHBondContact OD1-N 3.39Å; D207-V209 VanDerWaalsContact OD1-N 3.08Å; V209-V211 VanDerWaalsContact C-N 3.29Å; V209-V211 PolarHBondContact O-N 3.48Å; V209-L212 PolarHBondContact O-N 3.38Å; V209-A213 WeakPolarHBondContact O-CB 3.38Å; V209-A213 PolarHBondContact O-N 3.41Å
210A83Confident85.7Confident10 Ų1024.3 Ų24.38%0.08314%0.143CC..Hα-helixtrans-63.8-36179.400000112.5P91 P208 I214 L425P91-A210 HydrophobicContact CB-CB 4.42Å; P208-A210 VanDerWaalsContact C-N 3.32Å; P208-A210 PolarHBondContact O-N 2.96Å; A210-I214 WeakPolarHBondContact O-CD1 3.42Å; A210-I214 WeakPolarHBondContact O-CG1 3.27Å; A210-I214 PolarHBondContact O-N 2.94Å; A210-L425 HydrophobicContact CB-CD1 3.81Å
211V84.1Confident85Confident1 Ų127.7 Ų27.71%0.00616%0.159CC..Hα-helixtrans-73.6-44.6-179.2179.20000110.3P208 V209 I214 F215 L425 I472P208-V211 CarbonylContact O-C 3.59Å; P208-V211 WeakPolarHBondContact O-CA 3.35Å; P208-V211 WeakPolarHBondContact O-CB 3.45Å; P208-V211 PolarHBondContact O-N 2.95Å; V209-V211 VanDerWaalsContact C-N 3.29Å; V209-V211 PolarHBondContact O-N 3.48Å; V211-I214 PolarHBondContact O-N 3.45Å; V211-F215 HydrophobicContact CG1-CD1 3.96Å; V211-F215 HydrophobicContact CG1-CD2 4.5Å; V211-F215 HydrophobicContact CG1-CE1 3.42Å; V211-F215 VanDerWaalsContact CG1-CE1 3.42Å; V211-F215 HydrophobicContact CG1-CE2 4.05Å; V211-F215 HydrophobicContact CG1-CG 4.47Å; V211-F215 HydrophobicContact CG1-CZ 3.49Å; V211-F215 VanDerWaalsContact CG1-CZ 3.49Å; V211-F215 VanDerWaalsContact O-CD1 3.22Å; V211-F215 WeakPolarHBondContact O-CD1 3.46Å; V211-F215 WeakPolarHBondContact O-CG 3.33Å; V211-F215 PolarHBondContact O-N 3.32Å; V211-L425 HydrophobicContact CG2-CD1 3.99Å; V211-I472 HydrophobicContact CG2-CD1 4.19Å; V211-I472 HydrophobicContact CG2-CG1 3.99Å
212L85.9Confident84.4Confident16 Ų1629.6 Ų29.68%0.08417%0.169CC..Hα-helixtrans-65.2-39.1179-65.7-179.3000111.9P208 V209 I214 F215 Q216 Y225 V228 F229P208-L212 HydrophobicContact CB-CD1 4.09Å; P208-L212 HydrophobicContact CB-CG 3.94Å; P208-L212 HydrophobicContact CG-CD1 3.5Å; P208-L212 HydrophobicContact CG-CG 3.93Å; P208-L212 WeakPolarHBondContact O-CG 3.34Å; P208-L212 PolarHBondContact O-N 2.88Å; V209-L212 PolarHBondContact O-N 3.38Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 PolarHBondContact O-N 3.25Å; L212-F215 HydrophobicContact CD2-CD2 4.27Å; L212-F215 WeakPolarHBondContact O-CB 3.34Å; L212-F215 PolarHBondContact O-N 3.48Å; L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 2.93Å; L212-Y225 HydrophobicContact CB-CE2 4.41Å; L212-Y225 HydrophobicContact CD2-CD2 3.93Å; L212-Y225 HydrophobicContact CD2-CE2 3.84Å; L212-V228 HydrophobicContact CD2-CB 4.44Å; L212-V228 HydrophobicContact CD2-CG1 4.18Å; L212-F229 HydrophobicContact CD1-CB 3.99Å; L212-F229 HydrophobicContact CD1-CD2 3.52Å; L212-F229 HydrophobicContact CD1-CE2 4.42Å; L212-F229 HydrophobicContact CD1-CG 4.18Å; L212-F229 HydrophobicContact CD2-CB 4.06Å
213A82.7Confident83.8Confident47 Ų4730 Ų3039%0.38817%0.172SC..Hα-helixtrans-58.1-45.4173.900000111.4V209 Q216 D217V209-A213 WeakPolarHBondContact O-CB 3.38Å; V209-A213 PolarHBondContact O-N 3.41Å; A213-Q216 PolarHBondContact O-N 3.21Å; A213-D217 PolarHBondContact O-N 3.28Å
214I80.4Confident83.4Confident17 Ų1730.1 Ų30.19%0.08717%0.173CC..Hα-helixtrans-68.7-36.3177.6-66.5164.3000111.6A210 V211 L212 Q216 D217 I218 I472 K473 M476A210-I214 WeakPolarHBondContact O-CD1 3.42Å; A210-I214 WeakPolarHBondContact O-CG1 3.27Å; A210-I214 PolarHBondContact O-N 2.94Å; V211-I214 PolarHBondContact O-N 3.45Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 PolarHBondContact O-N 3.25Å; I214-Q216 VanDerWaalsContact C-N 3.31Å; I214-Q216 PolarHBondContact O-N 2.83Å; I214-D217 PolarHBondContact O-N 2.94Å; I214-I218 HydrophobicContact CG2-CD1 3.46Å; I214-I218 VanDerWaalsContact CG2-CD1 3.46Å; I214-I218 HydrophobicContact CG2-CG1 4.13Å; I214-I218 WeakPolarHBondContact O-CB 3.33Å; I214-I218 WeakPolarHBondContact O-CG1 3.41Å; I214-I218 PolarHBondContact O-N 3.13Å; I214-I472 HydrophobicContact CD1-CB 4.28Å; I214-I472 HydrophobicContact CD1-CG1 4.18Å; I214-I472 HydrophobicContact CD1-CG2 3.35Å; I214-K473 HydrophobicContact CD1-CB 3.85Å; I214-K473 HydrophobicContact CD1-CG 4.47Å; I214-M476 HydrophobicContact CG2-CG 4.3Å
215F82.9Confident83.2Confident3 Ų331.3 Ų31.31%0.01318%0.177CC..Hα-helixtrans-62.6-40.9176.2-7811.7000111.8V211 L212 G219 V220 L224 Y225 V228 I419 M476V211-F215 HydrophobicContact CG1-CD1 3.96Å; V211-F215 HydrophobicContact CG1-CD2 4.5Å; V211-F215 HydrophobicContact CG1-CE1 3.42Å; V211-F215 VanDerWaalsContact CG1-CE1 3.42Å; V211-F215 HydrophobicContact CG1-CE2 4.05Å; V211-F215 HydrophobicContact CG1-CG 4.47Å; V211-F215 HydrophobicContact CG1-CZ 3.49Å; V211-F215 VanDerWaalsContact CG1-CZ 3.49Å; V211-F215 VanDerWaalsContact O-CD1 3.22Å; V211-F215 WeakPolarHBondContact O-CD1 3.46Å; V211-F215 WeakPolarHBondContact O-CG 3.33Å; V211-F215 PolarHBondContact O-N 3.32Å; L212-F215 HydrophobicContact CD2-CD2 4.27Å; L212-F215 WeakPolarHBondContact O-CB 3.34Å; L212-F215 PolarHBondContact O-N 3.48Å; F215-G219 WeakPolarHBondContact O-CA 3.35Å; F215-G219 PolarHBondContact O-N 2.96Å; F215-V220 HydrophobicContact CB-CB 4.31Å; F215-V220 HydrophobicContact CB-CG2 4.14Å; F215-V220 HydrophobicContact CD1-CG2 3.86Å; F215-V220 HydrophobicContact CE1-CG2 4.48Å; F215-V220 HydrophobicContact CG-CB 4.22Å; F215-V220 HydrophobicContact CG-CG2 3.99Å; F215-V220 PolarHBondContact O-N 3.39Å; F215-L224 HydrophobicContact CE2-CD2 4.07Å; F215-L224 HydrophobicContact CE2-CG 3.99Å; F215-L224 HydrophobicContact CZ-CD2 3.85Å; F215-L224 HydrophobicContact CZ-CG 4.2Å; F215-Y225 HydrophobicContact CB-CD2 4.17Å; F215-Y225 HydrophobicContact CD2-CD2 4.23Å; F215-V228 HydrophobicContact CE2-CB 4.38Å; F215-V228 HydrophobicContact CE2-CG2 4.02Å; F215-V228 HydrophobicContact CZ-CG2 4.42Å; F215-I419 HydrophobicContact CE1-CG2 3.78Å; F215-I419 HydrophobicContact CZ-CG2 3.47Å; F215-I419 VanDerWaalsContact CZ-CG2 3.47Å; F215-M476 HydrophobicContact CD1-CE 3.54Å; F215-M476 HydrophobicContact CD1-SD 4.45Å; F215-M476 HydrophobicContact CE1-CE 3.29Å; F215-M476 HydrophobicContact CE1-SD 3.74Å; F215-M476 HydrophobicContact CZ-CE 4.4Å
216Q79.2Confident83Confident122 Ų12232.2 Ų32.257%0.5718%0.181SC*.Hα-helixtrans-65.3-40175.3-70.4176.9-4.600111.2L212 A213 I214 Y225L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 2.93Å; A213-Q216 PolarHBondContact O-N 3.21Å; I214-Q216 VanDerWaalsContact C-N 3.31Å; I214-Q216 PolarHBondContact O-N 2.83Å; Q216-Y225 HydrophobicContact CG-CE2 3.97Å; Q216-Y225 PolarHBondContact NE2-OH 3.2Å; Q216-Y225 VanDerWaalsContact NE2-OH 3.07Å
217D77.2Confident83Confident123 Ų12332.5 Ų32.566%0.65818%0.182SC*.Hα-helixtrans-66.9-40.4176.8-76.8-15.5000113.3A213 I214A213-D217 PolarHBondContact O-N 3.28Å; I214-D217 PolarHBondContact O-N 2.94Å
218I76.7Confident83.2Confident49 Ų4931.8 Ų31.825%0.25118%0.178SC..Hα-helixtrans-83.8-25-176.7-63.2174.8000111.7I214 V220 M476 K483I214-I218 HydrophobicContact CG2-CD1 3.46Å; I214-I218 VanDerWaalsContact CG2-CD1 3.46Å; I214-I218 HydrophobicContact CG2-CG1 4.13Å; I214-I218 WeakPolarHBondContact O-CB 3.33Å; I214-I218 WeakPolarHBondContact O-CG1 3.41Å; I214-I218 PolarHBondContact O-N 3.13Å; I218-V220 HydrophobicContact CB-CG2 4.33Å; I218-V220 HydrophobicContact CG2-CG2 4.3Å; I218-M476 HydrophobicContact CD1-CB 4.03Å; I218-M476 HydrophobicContact CD1-CE 4.41Å; I218-K483 HydrophobicContact CG2-CG 4.34Å
219G73.6Confident83.5Confident33 Ų3332 Ų3234%0.3418%0.178SC..THydrogen-bonded Turntrans73.256.3-174.200000111.9F215 K483 K484F215-G219 WeakPolarHBondContact O-CA 3.35Å; F215-G219 PolarHBondContact O-N 2.96Å; G219-K483 CarbonylContact O-C 3.54Å; G219-K483 WeakPolarHBondContact O-CA 3.35Å; G219-K484 PolarHBondContact O-N 2.91Å
220V78.7Confident84Confident12 Ų1230.1 Ų30.17%0.07317%0.167CC..BIsolated β-bridgetrans-69.3159178.4-178.40000111.1F215 I218 L222 L224 M476 I481F215-V220 HydrophobicContact CB-CB 4.31Å; F215-V220 HydrophobicContact CB-CG2 4.14Å; F215-V220 HydrophobicContact CD1-CG2 3.86Å; F215-V220 HydrophobicContact CE1-CG2 4.48Å; F215-V220 HydrophobicContact CG-CB 4.22Å; F215-V220 HydrophobicContact CG-CG2 3.99Å; F215-V220 PolarHBondContact O-N 3.39Å; I218-V220 HydrophobicContact CB-CG2 4.33Å; I218-V220 HydrophobicContact CG2-CG2 4.3Å; V220-L222 PolarHBondContact O-N 3.33Å; V220-L224 HydrophobicContact CG1-CB 4.3Å; V220-L224 HydrophobicContact CG1-CD2 3.93Å; V220-M476 HydrophobicContact CG2-CE 3.86Å; V220-I481 HydrophobicContact CG1-CG2 4.01Å
221E81Confident84.5Confident71 Ų7129.7 Ų29.733%0.33216%0.163SC..  trans-51.6135.3172.2-162.6-171.8148.900112S223 L224 Y225E221-S223 WeakPolarHBondContact CG-OG 3.3Å; E221-S223 PolarHBondContact O-N 3.38Å; E221-S223 PolarHBondContact OE1-OG 2.91Å; E221-L224 PolarHBondContact O-N 3.34Å; E221-Y225 PolarHBondContact O-N 3.42Å
222L83Confident84.8Confident40 Ų4030 Ų3021%0.20917%0.165CC..Hα-helixtrans-66.9-25.1-172.9-167.659.4000112.9T148 V220 Y225 Y226T148-L222 HydrophobicContact CG2-CD2 4.14Å; T148-L222 WeakPolarHBondContact OG1-CD2 3.48Å; V220-L222 PolarHBondContact O-N 3.33Å; L222-Y225 HydrophobicContact CD1-CD1 4.17Å; L222-Y226 HydrophobicContact CD1-CD2 3.83Å; L222-Y226 HydrophobicContact CD1-CE2 3.35Å; L222-Y226 HydrophobicContact CD2-CD2 4.41Å; L222-Y226 HydrophobicContact CD2-CE2 3.76Å; L222-Y226 HydrophobicContact CG-CD2 3.61Å; L222-Y226 HydrophobicContact CG-CE2 3.34Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L222-Y226 PolarHBondContact O-N 2.9Å
223S83.4Confident85.1Confident9 Ų929.7 Ų29.76%0.06316%0.164CC..Hα-helixtrans-60.7-54.5173.956.50000111.2E221 Y225 Y226 I227E221-S223 WeakPolarHBondContact CG-OG 3.3Å; E221-S223 PolarHBondContact O-N 3.38Å; E221-S223 PolarHBondContact OE1-OG 2.91Å; S223-Y225 VanDerWaalsContact C-N 3.32Å; S223-Y225 PolarHBondContact O-N 2.93Å; S223-Y226 PolarHBondContact O-N 2.97Å; S223-I227 VanDerWaalsContact O-CG1 3.25Å; S223-I227 WeakPolarHBondContact O-CG1 3.42Å; S223-I227 PolarHBondContact O-N 3.41Å
224L86.3Confident85.6Confident4 Ų428.7 Ų28.72%0.02115%0.151CC..Hα-helixtrans-63.2-39.9178.5-174.465.6000111.6F215 V220 E221 I227 V228 Q416 I419F215-L224 HydrophobicContact CE2-CD2 4.07Å; F215-L224 HydrophobicContact CE2-CG 3.99Å; F215-L224 HydrophobicContact CZ-CD2 3.85Å; F215-L224 HydrophobicContact CZ-CG 4.2Å; V220-L224 HydrophobicContact CG1-CB 4.3Å; V220-L224 HydrophobicContact CG1-CD2 3.93Å; E221-L224 PolarHBondContact O-N 3.34Å; L224-I227 PolarHBondContact O-N 2.91Å; L224-V228 HydrophobicContact CD1-CG2 4.26Å; L224-V228 HydrophobicContact CG-CG2 4.42Å; L224-V228 WeakPolarHBondContact O-CG2 3.16Å; L224-V228 PolarHBondContact O-N 3.32Å; L224-Q416 HydrophobicContact CD1-CB 3.96Å; L224-Q416 HydrophobicContact CD1-CG 4.06Å; L224-Q416 HydrophobicContact CD2-CG 4.09Å; L224-I419 HydrophobicContact CD2-CD1 4.02Å; L224-I419 HydrophobicContact CD2-CG2 4.48Å
225Y89.7Confident86.2Confident26 Ų2627.9 Ų27.910%0.10215%0.147CC..Hα-helixtrans-55.8-52.7176178-90.7000111.4L212 F215 Q216 E221 L222 S223 I227 V228 F229L212-Y225 HydrophobicContact CB-CE2 4.41Å; L212-Y225 HydrophobicContact CD2-CD2 3.93Å; L212-Y225 HydrophobicContact CD2-CE2 3.84Å; F215-Y225 HydrophobicContact CB-CD2 4.17Å; F215-Y225 HydrophobicContact CD2-CD2 4.23Å; Q216-Y225 HydrophobicContact CG-CE2 3.97Å; Q216-Y225 PolarHBondContact NE2-OH 3.2Å; Q216-Y225 VanDerWaalsContact NE2-OH 3.07Å; E221-Y225 PolarHBondContact O-N 3.42Å; L222-Y225 HydrophobicContact CD1-CD1 4.17Å; S223-Y225 VanDerWaalsContact C-N 3.32Å; S223-Y225 PolarHBondContact O-N 2.93Å; Y225-I227 PolarHBondContact O-N 3.44Å; Y225-V228 PolarHBondContact O-N 3.01Å; Y225-F229 WeakPolarHBondContact O-CB 3.11Å; Y225-F229 PolarHBondContact O-N 3.47Å
226Y90.1Very high86.7Confident20 Ų2029.5 Ų29.58%0.07816%0.155CC..Hα-helixtrans-69.8-30.4-179.6-78.5-54.6000113.4N146 T148 F149 I156 L222 S223 F229 G230N146-Y226 HydrophobicContact CB-CE1 4.45Å; N146-Y226 HydrophobicContact CB-CE2 3.83Å; N146-Y226 VanDerWaalsContact CB-OH 3.3Å; N146-Y226 WeakPolarHBondContact CB-OH 3.08Å; N146-Y226 WeakPolarHBondContact ND2-CE2 3.44Å; N146-Y226 PolarHBondContact ND2-OH 2.94Å; T148-Y226 WeakPolarHBondContact OG1-CD2 3.37Å; T148-Y226 WeakPolarHBondContact OG1-CE2 3.39Å; F149-Y226 HydrophobicContact CB-CD1 3.98Å; F149-Y226 HydrophobicContact CB-CD2 4.18Å; F149-Y226 HydrophobicContact CB-CE1 4.3Å; F149-Y226 HydrophobicContact CB-CE2 4.45Å; F149-Y226 HydrophobicContact CB-CG 3.96Å; F149-Y226 HydrophobicContact CD2-CD1 4.2Å; F149-Y226 HydrophobicContact CD2-CG 4.4Å; F149-Y226 HydrophobicContact CG-CD1 4.48Å; I156-Y226 WeakPolarHBondContact CD1-O 3.23Å; L222-Y226 HydrophobicContact CD1-CD2 3.83Å; L222-Y226 HydrophobicContact CD1-CE2 3.35Å; L222-Y226 HydrophobicContact CD2-CD2 4.41Å; L222-Y226 HydrophobicContact CD2-CE2 3.76Å; L222-Y226 HydrophobicContact CG-CD2 3.61Å; L222-Y226 HydrophobicContact CG-CE2 3.34Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L222-Y226 PolarHBondContact O-N 2.9Å; S223-Y226 PolarHBondContact O-N 2.97Å; Y226-F229 HydrophobicContact CD1-CD1 4.37Å; Y226-G230 WeakPolarHBondContact O-CA 3.37Å; Y226-G230 PolarHBondContact O-N 2.55Å
227I90.7Very high87.4Confident10 Ų1023.7 Ų23.75%0.05113%0.129CC..Hα-helixtrans-61.9-53.6173.7-69.7165000110.3Y152 I156 S223 L224 Y225 E231 L420Y152-I227 HydrophobicContact CD1-CD1 3.87Å; Y152-I227 HydrophobicContact CD1-CG1 4.16Å; Y152-I227 HydrophobicContact CE1-CD1 4.21Å; I156-I227 HydrophobicContact CG1-CG1 4.36Å; S223-I227 VanDerWaalsContact O-CG1 3.25Å; S223-I227 WeakPolarHBondContact O-CG1 3.42Å; S223-I227 PolarHBondContact O-N 3.41Å; L224-I227 PolarHBondContact O-N 2.91Å; Y225-I227 PolarHBondContact O-N 3.44Å; I227-E231 WeakPolarHBondContact O-CB 3.14Å; I227-E231 PolarHBondContact O-N 3.13Å; I227-L420 HydrophobicContact CG2-CD1 4.29Å
228V91.5Very high88.2Confident7 Ų718.2 Ų18.24%0.04210%0.099CC..Hα-helixtrans-64.7-45.9-178.3175.30000111.2P208 L212 F215 L224 Y225 S232 L420P208-V228 HydrophobicContact CB-CG1 3.69Å; L212-V228 HydrophobicContact CD2-CB 4.44Å; L212-V228 HydrophobicContact CD2-CG1 4.18Å; F215-V228 HydrophobicContact CE2-CB 4.38Å; F215-V228 HydrophobicContact CE2-CG2 4.02Å; F215-V228 HydrophobicContact CZ-CG2 4.42Å; L224-V228 HydrophobicContact CD1-CG2 4.26Å; L224-V228 HydrophobicContact CG-CG2 4.42Å; L224-V228 WeakPolarHBondContact O-CG2 3.16Å; L224-V228 PolarHBondContact O-N 3.32Å; Y225-V228 PolarHBondContact O-N 3.01Å; V228-S232 PolarHBondContact O-N 2.98Å; V228-S232 PolarHBondContact O-OG 3.28Å; V228-L420 HydrophobicContact CG2-CD1 3.73Å
229F91.8Very high89Confident12 Ų1215.9 Ų15.95%0.0539%0.087CC..Hα-helixtrans-67.6-43.9-178.5174.7-117.6000113.1S140 E143 L144 L212 Y225 Y226 S232 L233S140-F229 WeakPolarHBondContact O-CZ 3.31Å; E143-F229 HydrophobicContact CB-CE1 4.31Å; E143-F229 HydrophobicContact CB-CZ 4.31Å; L144-F229 HydrophobicContact CB-CE1 4.32Å; L144-F229 HydrophobicContact CD1-CD1 3.54Å; L144-F229 HydrophobicContact CD1-CE1 3.55Å; L212-F229 HydrophobicContact CD1-CB 3.99Å; L212-F229 HydrophobicContact CD1-CD2 3.52Å; L212-F229 HydrophobicContact CD1-CE2 4.42Å; L212-F229 HydrophobicContact CD1-CG 4.18Å; L212-F229 HydrophobicContact CD2-CB 4.06Å; Y225-F229 WeakPolarHBondContact O-CB 3.11Å; Y225-F229 PolarHBondContact O-N 3.47Å; Y226-F229 HydrophobicContact CD1-CD1 4.37Å; F229-S232 PolarHBondContact O-OG 3.37Å; F229-L233 WeakPolarHBondContact O-CB 3.23Å; F229-L233 PolarHBondContact O-N 3.32Å; F229-L233 VanDerWaalsContact O-N 3.16Å
230G92.1Very high89.9Confident0 Ų015.3 Ų15.30%08%0.076CC..Hα-helixtrans-66.5-41.1177.400000111.5Y226 S232 L233 F234Y226-G230 WeakPolarHBondContact O-CA 3.37Å; Y226-G230 PolarHBondContact O-N 2.55Å; G230-S232 PolarHBondContact O-N 2.81Å; G230-L233 PolarHBondContact O-N 2.95Å; G230-F234 VanDerWaalsContact O-CD2 3.23Å; G230-F234 WeakPolarHBondContact O-CD2 3.28Å; G230-F234 PolarHBondContact O-N 2.98Å; G230-F234 VanDerWaalsContact O-N 3.12Å
231E92.7Very high90.6Very high2 Ų215 Ų151%0.0097%0.074CC..Hα-helixtrans-56.6-52.4177.6-174.1-146.2143.200111.5F159 I227 N235 R391 L420F159-E231 HydrophobicContact CB-CG 3.93Å; I227-E231 WeakPolarHBondContact O-CB 3.14Å; I227-E231 PolarHBondContact O-N 3.13Å; E231-N235 WeakPolarHBondContact O-CB 3.43Å; E231-N235 PolarHBondContact O-N 3.43Å; E231-R391 IonicContact OE1-CZ 3.57Å; E231-R391 IonicContact OE1-NH1 3.65Å; E231-R391 PolarHBondContact OE1-NH1 3.14Å; E231-R391 IonicContact OE1-NH2 3.41Å; E231-R391 PolarHBondContact OE1-NH2 3.31Å; E231-R391 IonicContact OE2-CZ 3.92Å; E231-R391 IonicContact OE2-NH1 2.96Å; E231-R391 IonicContact OE2-NH2 3.75Å; E231-R391 PolarHBondContact OE2-NH2 3.4Å; E231-L420 VanDerWaalsContact OE2-CD1 3.26Å; E231-L420 WeakPolarHBondContact OE2-CD1 3.4Å
232S92Very high91.3Very high7 Ų712.4 Ų12.45%0.0496%0.063CC..Hα-helixtrans-64-44-178.757.40000113.1V206 P208 V228 F229 G230 F234 N235 D236V206-S232 WeakPolarHBondContact O-CB 3.38Å; P208-S232 WeakPolarHBondContact CD-OG 3.47Å; P208-S232 WeakPolarHBondContact CG-OG 3.19Å; V228-S232 PolarHBondContact O-N 2.98Å; V228-S232 PolarHBondContact O-OG 3.28Å; F229-S232 PolarHBondContact O-OG 3.37Å; G230-S232 PolarHBondContact O-N 2.81Å; S232-F234 PolarHBondContact O-N 2.86Å; S232-N235 PolarHBondContact O-N 3.17Å; S232-D236 PolarHBondContact O-N 2.9Å
233L92Very high91.8Very high10 Ų1010.5 Ų10.55%0.0525%0.053CC..Hα-helixtrans-60.3-46.9-178.4177.563.1000111.1I137 L144 F229 G230 I323I137-L233 HydrophobicContact CG2-CD1 4.46Å; L144-L233 HydrophobicContact CD2-CD2 4.06Å; F229-L233 WeakPolarHBondContact O-CB 3.23Å; F229-L233 PolarHBondContact O-N 3.32Å; F229-L233 VanDerWaalsContact O-N 3.16Å; G230-L233 PolarHBondContact O-N 2.95Å; L233-I323 HydrophobicContact CD1-CD1 4.32Å; L233-I323 HydrophobicContact CG-CD1 4.13Å
234F93.4Very high92.2Very high25 Ų2513.8 Ų13.811%0.117%0.07CC..Hα-helixtrans-73-35.5177.2-76.9-67.9000112.1L144 F149 I156 L157 S160 G230 S232 D236 A237 I238 I323L144-F234 HydrophobicContact CD2-CE2 4.06Å; L144-F234 HydrophobicContact CD2-CZ 4.37Å; F149-F234 HydrophobicContact CZ-CE2 4.29Å; I156-F234 HydrophobicContact CG2-CD2 4.09Å; I156-F234 HydrophobicContact CG2-CE2 4.43Å; L157-F234 HydrophobicContact CD2-CD1 4.42Å; L157-F234 HydrophobicContact CD2-CD2 4.34Å; L157-F234 HydrophobicContact CD2-CE1 4.42Å; L157-F234 HydrophobicContact CD2-CE2 4.36Å; L157-F234 HydrophobicContact CD2-CG 4.39Å; L157-F234 HydrophobicContact CD2-CZ 4.4Å; S160-F234 VanDerWaalsContact CB-CB 3.41Å; S160-F234 VanDerWaalsContact OG-CB 3.31Å; S160-F234 WeakPolarHBondContact OG-CB 3.26Å; G230-F234 VanDerWaalsContact O-CD2 3.23Å; G230-F234 WeakPolarHBondContact O-CD2 3.28Å; G230-F234 PolarHBondContact O-N 2.98Å; G230-F234 VanDerWaalsContact O-N 3.12Å; S232-F234 PolarHBondContact O-N 2.86Å; F234-D236 VanDerWaalsContact C-N 3.33Å; F234-D236 PolarHBondContact O-N 3.32Å; F234-A237 WeakPolarHBondContact O-CB 3.49Å; F234-A237 PolarHBondContact O-N 3.4Å; F234-I238 HydrophobicContact CB-CD1 4.34Å; F234-I238 WeakPolarHBondContact O-CB 3.28Å; F234-I238 VanDerWaalsContact O-CD1 3.26Å; F234-I238 WeakPolarHBondContact O-CD1 3.13Å; F234-I238 WeakPolarHBondContact O-CG1 3.22Å; F234-I238 PolarHBondContact O-N 3.06Å; F234-I323 HydrophobicContact CD1-CD1 4.46Å; F234-I323 HydrophobicContact CE1-CG2 3.9Å; F234-I323 HydrophobicContact CZ-CG2 4.09Å
235N93.3Very high92.5Very high1 Ų114.8 Ų14.81%0.0058%0.075CC..Hα-helixtrans-58-44.8175.9179.11.6000111.4T164 V204 V206 E231 S232 A237 I238 T239T164-N235 HydrophobicContact CG2-CB 3.61Å; T164-N235 WeakPolarHBondContact CG2-OD1 3.49Å; V204-N235 PolarHBondContact O-ND2 2.64Å; V204-N235 PolarHBondContact O-OD1 3.25Å; V206-N235 WeakPolarHBondContact CB-ND2 3.5Å; V206-N235 WeakPolarHBondContact CG2-ND2 3.49Å; V206-N235 PolarHBondContact N-ND2 3.22Å; E231-N235 WeakPolarHBondContact O-CB 3.43Å; E231-N235 PolarHBondContact O-N 3.43Å; S232-N235 PolarHBondContact O-N 3.17Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 3.47Å; N235-I238 PolarHBondContact O-N 3.36Å; N235-T239 VanDerWaalsContact O-CB 3.22Å; N235-T239 WeakPolarHBondContact O-CB 3.44Å; N235-T239 PolarHBondContact O-N 2.91Å; N235-T239 PolarHBondContact O-OG1 2.95Å; N235-T239 PolarHBondContact OD1-OG1 2.97Å
236D92.3Very high92.7Very high36 Ų3614 Ų1419%0.1937%0.072CC..Hα-helixtrans-57.9-45.7177.2-76.1-11000111.8S232 F234 I238 T239 I240 V429S232-D236 PolarHBondContact O-N 2.9Å; F234-D236 VanDerWaalsContact C-N 3.33Å; F234-D236 PolarHBondContact O-N 3.32Å; D236-I238 PolarHBondContact O-N 2.87Å; D236-T239 PolarHBondContact O-N 2.89Å; D236-I240 WeakPolarHBondContact O-CD1 3.27Å; D236-I240 VanDerWaalsContact O-CG1 3.29Å; D236-I240 WeakPolarHBondContact O-CG1 3.39Å; D236-I240 PolarHBondContact O-N 2.97Å; D236-I240 VanDerWaalsContact O-N 3.11Å; D236-V429 HydrophobicContact CB-CG2 4.19Å
237A93.3Very high92.7Very high1 Ų114.2 Ų14.21%0.0087%0.074CC..Hα-helixtrans-60.1-45176.500000112.3F234 N235 V241 I319 I320 I323F234-A237 WeakPolarHBondContact O-CB 3.49Å; F234-A237 PolarHBondContact O-N 3.4Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 3.47Å; A237-V241 WeakPolarHBondContact O-CG2 3.37Å; A237-V241 PolarHBondContact O-N 3.47Å; A237-I319 HydrophobicContact CB-CB 4.41Å; A237-I319 HydrophobicContact CB-CG2 3.5Å; A237-I320 HydrophobicContact CB-CD1 4.44Å; A237-I320 HydrophobicContact CB-CG1 3.76Å; A237-I323 HydrophobicContact CB-CD1 4.14Å
238I94.7Very high92.6Very high8 Ų817.7 Ų17.74%0.04110%0.096CC..Hα-helixtrans-70.2-41.6-177.7-69.6160.3000111.2S160 V161 T164 F234 N235 D236 I240 V241 L242 F267S160-I238 VanDerWaalsContact O-CD1 3.23Å; S160-I238 WeakPolarHBondContact O-CD1 3.21Å; V161-I238 HydrophobicContact CB-CD1 4.18Å; V161-I238 HydrophobicContact CG2-CD1 3.58Å; T164-I238 WeakPolarHBondContact OG1-CG2 3.48Å; F234-I238 HydrophobicContact CB-CD1 4.34Å; F234-I238 WeakPolarHBondContact O-CB 3.28Å; F234-I238 VanDerWaalsContact O-CD1 3.26Å; F234-I238 WeakPolarHBondContact O-CD1 3.13Å; F234-I238 WeakPolarHBondContact O-CG1 3.22Å; F234-I238 PolarHBondContact O-N 3.06Å; N235-I238 PolarHBondContact O-N 3.36Å; D236-I238 PolarHBondContact O-N 2.87Å; I238-I240 VanDerWaalsContact C-N 3.33Å; I238-I240 PolarHBondContact O-N 3.45Å; I238-V241 PolarHBondContact O-N 3.49Å; I238-L242 HydrophobicContact CG2-CD1 3.88Å; I238-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 WeakPolarHBondContact O-CB 3.43Å; I238-L242 WeakPolarHBondContact O-CG 3.42Å; I238-L242 PolarHBondContact O-N 2.76Å; I238-F267 HydrophobicContact CG2-CE2 3.88Å; I238-F267 HydrophobicContact CG2-CZ 3.86Å
239T94.5Very high92.5Very high0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-58.9-44.2176.3-71.70000111S201 A205 N235 D236 L242 N243 L433S201-T239 WeakPolarHBondContact O-CG2 3.23Å; A205-T239 HydrophobicContact CB-CG2 3.65Å; A205-T239 PolarHBondContact N-OG1 3.47Å; N235-T239 VanDerWaalsContact O-CB 3.22Å; N235-T239 WeakPolarHBondContact O-CB 3.44Å; N235-T239 PolarHBondContact O-N 2.91Å; N235-T239 PolarHBondContact O-OG1 2.95Å; N235-T239 PolarHBondContact OD1-OG1 2.97Å; D236-T239 PolarHBondContact O-N 2.89Å; T239-L242 PolarHBondContact O-N 3.42Å; T239-N243 VanDerWaalsContact O-CB 3.32Å; T239-N243 WeakPolarHBondContact O-CB 3.24Å; T239-N243 PolarHBondContact O-N 2.86Å; T239-L433 HydrophobicContact CG2-CD1 3.54Å
240I92Very high92.3Very high21 Ų2119 Ų1911%0.10810%0.102CC..Hα-helixtrans-65.3-41.4178.3-68165000111.1L133 D236 I238 N243 N244 I319 V429 L433L133-I240 HydrophobicContact CD2-CD1 4.03Å; D236-I240 WeakPolarHBondContact O-CD1 3.27Å; D236-I240 VanDerWaalsContact O-CG1 3.29Å; D236-I240 WeakPolarHBondContact O-CG1 3.39Å; D236-I240 PolarHBondContact O-N 2.97Å; D236-I240 VanDerWaalsContact O-N 3.11Å; I238-I240 VanDerWaalsContact C-N 3.33Å; I238-I240 PolarHBondContact O-N 3.45Å; I240-N243 PolarHBondContact O-N 3.13Å; I240-N244 PolarHBondContact O-N 3.32Å; I240-N244 PolarHBondContact O-ND2 3.32Å; I240-I319 HydrophobicContact CB-CD1 4.16Å; I240-I319 HydrophobicContact CD1-CD1 3.16Å; I240-I319 HydrophobicContact CG1-CD1 4.22Å; I240-I319 HydrophobicContact CG2-CD1 4.03Å; I240-V429 HydrophobicContact CD1-CG1 3.89Å; I240-V429 HydrophobicContact CG1-CG1 3.94Å; I240-L433 HydrophobicContact CG1-CD1 3.95Å; I240-L433 HydrophobicContact CG1-CD2 4.07Å; I240-L433 HydrophobicContact CG1-CG 4.29Å
241V93.9Very high91.9Very high6 Ų623.1 Ų23.14%0.03612%0.124CC..Hα-helixtrans-63.3-46.5174.8175.70000111.1A237 I238 N243 N244 I245 F267 V270 I320A237-V241 WeakPolarHBondContact O-CG2 3.37Å; A237-V241 PolarHBondContact O-N 3.47Å; I238-V241 PolarHBondContact O-N 3.49Å; V241-N243 VanDerWaalsContact C-N 3.31Å; V241-N243 PolarHBondContact O-N 2.97Å; V241-N244 PolarHBondContact O-N 3.45Å; V241-I245 HydrophobicContact CG1-CD1 3.93Å; V241-I245 WeakPolarHBondContact O-CG1 3.24Å; V241-I245 PolarHBondContact O-N 3.27Å; V241-F267 HydrophobicContact CG1-CD2 3.79Å; V241-F267 HydrophobicContact CG1-CE2 4.2Å; V241-V270 HydrophobicContact CG1-CB 4.42Å; V241-V270 HydrophobicContact CG1-CG1 4Å; V241-V270 HydrophobicContact CG2-CG1 4.09Å; V241-I320 HydrophobicContact CG2-CD1 4.27Å
242L94.9Very high91.4Very high16 Ų1626 Ų268%0.08414%0.139CC..Hα-helixtrans-59.7-42.3176.8-75.2170.9000111.6F168 I238 T239 I245 M246 F267F168-L242 HydrophobicContact CB-CD1 4.44Å; F168-L242 HydrophobicContact CG-CD1 4.45Å; I238-L242 HydrophobicContact CG2-CD1 3.88Å; I238-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 WeakPolarHBondContact O-CB 3.43Å; I238-L242 WeakPolarHBondContact O-CG 3.42Å; I238-L242 PolarHBondContact O-N 2.76Å; T239-L242 PolarHBondContact O-N 3.42Å; L242-I245 PolarHBondContact O-N 2.81Å; L242-M246 WeakPolarHBondContact O-CB 3.34Å; L242-M246 WeakPolarHBondContact O-CG 3.36Å; L242-M246 PolarHBondContact O-N 3.19Å; L242-F267 HydrophobicContact CD2-CD2 3.98Å; L242-F267 HydrophobicContact CD2-CE2 4.05Å; L242-F267 HydrophobicContact CG-CD2 4.33Å; L242-F267 HydrophobicContact CG-CE2 4.02Å
243N93.5Very high90.5Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-63.7-45.3179.3-169.2-98.3000111.9L198 S201 T239 I240 V241 I245 M246 I247 L433L198-N243 WeakPolarHBondContact CD1-ND2 3.4Å; S201-N243 WeakPolarHBondContact OG-CA 3.46Å; S201-N243 PolarHBondContact OG-ND2 2.91Å; T239-N243 VanDerWaalsContact O-CB 3.32Å; T239-N243 WeakPolarHBondContact O-CB 3.24Å; T239-N243 PolarHBondContact O-N 2.86Å; I240-N243 PolarHBondContact O-N 3.13Å; V241-N243 VanDerWaalsContact C-N 3.31Å; V241-N243 PolarHBondContact O-N 2.97Å; N243-I245 VanDerWaalsContact C-N 3.34Å; N243-I245 PolarHBondContact O-N 3.41Å; N243-M246 PolarHBondContact O-N 3.49Å; N243-M246 VanDerWaalsContact O-N 3.12Å; N243-I247 WeakPolarHBondContact O-CG1 3.32Å; N243-I247 PolarHBondContact O-N 3.1Å; N243-I247 WeakPolarHBondContact OD1-CD1 3.26Å; N243-L433 HydrophobicContact CB-CD1 3.98Å; N243-L433 HydrophobicContact CB-CD2 4.14Å
244N91.6Very high89.8Confident78 Ų7842 Ų4242%0.41721%0.213SC..Hα-helixtrans-60.5-42.1176.1-72.7-19.9000112.1I240 V241 M246 I247 V248I240-N244 PolarHBondContact O-N 3.32Å; I240-N244 PolarHBondContact O-ND2 3.32Å; V241-N244 PolarHBondContact O-N 3.45Å; N244-M246 VanDerWaalsContact C-N 3.33Å; N244-M246 PolarHBondContact O-N 3.42Å; N244-I247 PolarHBondContact O-N 3.47Å; N244-V248 WeakPolarHBondContact O-CG2 3.24Å; N244-V248 PolarHBondContact O-N 2.93Å
245I92.8Very high89.2Confident25 Ų2543.6 Ų43.613%0.12822%0.222CC..Hα-helixtrans-62.6-42.6174.9-66.4165.7000110.5V241 L242 N243 I247 V248 F249 F267V241-I245 HydrophobicContact CG1-CD1 3.93Å; V241-I245 WeakPolarHBondContact O-CG1 3.24Å; V241-I245 PolarHBondContact O-N 3.27Å; L242-I245 PolarHBondContact O-N 2.81Å; N243-I245 VanDerWaalsContact C-N 3.34Å; N243-I245 PolarHBondContact O-N 3.41Å; I245-I247 PolarHBondContact O-N 3Å; I245-V248 PolarHBondContact O-N 3.07Å; I245-F249 HydrophobicContact CG2-CD1 4.47Å; I245-F249 HydrophobicContact CG2-CD2 4.14Å; I245-F249 HydrophobicContact CG2-CE1 4.23Å; I245-F249 HydrophobicContact CG2-CE2 3.87Å; I245-F249 HydrophobicContact CG2-CG 4.46Å; I245-F249 HydrophobicContact CG2-CZ 3.96Å; I245-F249 WeakPolarHBondContact O-CG 3.49Å; I245-F249 PolarHBondContact O-N 3.02Å; I245-F267 HydrophobicContact CD1-CB 3.78Å; I245-F267 HydrophobicContact CD1-CD2 4.16Å
246M93Very high88.8Confident9 Ų946.3 Ų46.34%0.04424%0.241CC..Hα-helixtrans-67.3-34.3179.5-74.7-49.2-42.300113.5F168 K194 L197 L198 L242 N243 N244 F249 N250F168-M246 HydrophobicContact CE2-CG 4.02Å; F168-M246 HydrophobicContact CE2-SD 4.33Å; F168-M246 HydrophobicContact CZ-CG 4.04Å; F168-M246 HydrophobicContact CZ-SD 3.84Å; K194-M246 HydrophobicContact CB-CE 4.46Å; K194-M246 WeakPolarHBondContact O-CE 3.33Å; L197-M246 HydrophobicContact CB-CE 3.72Å; L197-M246 HydrophobicContact CB-SD 4.09Å; L197-M246 HydrophobicContact CD1-CE 4.42Å; L198-M246 HydrophobicContact CB-CB 4.31Å; L198-M246 HydrophobicContact CD1-CB 3.67Å; L242-M246 WeakPolarHBondContact O-CB 3.34Å; L242-M246 WeakPolarHBondContact O-CG 3.36Å; L242-M246 PolarHBondContact O-N 3.19Å; N243-M246 PolarHBondContact O-N 3.49Å; N243-M246 VanDerWaalsContact O-N 3.12Å; N244-M246 VanDerWaalsContact C-N 3.33Å; N244-M246 PolarHBondContact O-N 3.42Å; M246-F249 HydrophobicContact CE-CB 4.11Å; M246-F249 HydrophobicContact CE-CD2 4.19Å; M246-F249 PolarHBondContact O-N 3.1Å; M246-F249 HydrophobicContact SD-CD2 3.88Å; M246-N250 PolarHBondContact O-N 2.73Å
247I91.1Very high88.5Confident24 Ų2449.3 Ų49.312%0.12327%0.265CS..Hα-helixtrans-59.4-49.6171.8-74.4169.8000110L198 N243 N244 I245 F249 N250 N251 I441L198-I247 HydrophobicContact CD1-CG1 3.77Å; N243-I247 WeakPolarHBondContact O-CG1 3.32Å; N243-I247 PolarHBondContact O-N 3.1Å; N243-I247 WeakPolarHBondContact OD1-CD1 3.26Å; N244-I247 PolarHBondContact O-N 3.47Å; I245-I247 PolarHBondContact O-N 3Å; I247-F249 VanDerWaalsContact C-N 3.34Å; I247-F249 PolarHBondContact O-N 3.43Å; I247-N250 PolarHBondContact O-N 3.08Å; I247-N250 VanDerWaalsContact O-N 3.16Å; I247-N251 PolarHBondContact O-N 3.38Å; I247-I441 HydrophobicContact CB-CD1 4.29Å; I247-I441 HydrophobicContact CG1-CD1 4.1Å; I247-I441 HydrophobicContact CG2-CD1 3.77Å
248V89.3Confident88.4Confident84 Ų8454.7 Ų54.751%0.50929%0.293SS..Hα-helixtrans-61.8-42.2178.2175.60000111.4N244 I245 N250 N251 N252N244-V248 WeakPolarHBondContact O-CG2 3.24Å; N244-V248 PolarHBondContact O-N 2.93Å; I245-V248 PolarHBondContact O-N 3.07Å; V248-N250 VanDerWaalsContact C-N 3.29Å; V248-N250 PolarHBondContact O-N 2.91Å; V248-N251 PolarHBondContact O-N 3.16Å; V248-N252 PolarHBondContact O-N 3.05Å
249F89.5Confident88.1Confident29 Ų2957.2 Ų57.213%0.12730%0.304CS..Hα-helixtrans-63.8-34.1176.3-77.1-4.1000113.3K194 I245 M246 I247 N252 L255K194-F249 WeakPolarHBondContact CD-O 3.39Å; K194-F249 PolarHBondContact NZ-O 3.46Å; K194-F249 VanDerWaalsContact NZ-O 3.08Å; I245-F249 HydrophobicContact CG2-CD1 4.47Å; I245-F249 HydrophobicContact CG2-CD2 4.14Å; I245-F249 HydrophobicContact CG2-CE1 4.23Å; I245-F249 HydrophobicContact CG2-CE2 3.87Å; I245-F249 HydrophobicContact CG2-CG 4.46Å; I245-F249 HydrophobicContact CG2-CZ 3.96Å; I245-F249 WeakPolarHBondContact O-CG 3.49Å; I245-F249 PolarHBondContact O-N 3.02Å; M246-F249 HydrophobicContact CE-CB 4.11Å; M246-F249 HydrophobicContact CE-CD2 4.19Å; M246-F249 PolarHBondContact O-N 3.1Å; M246-F249 HydrophobicContact SD-CD2 3.88Å; I247-F249 VanDerWaalsContact C-N 3.34Å; I247-F249 PolarHBondContact O-N 3.43Å; F249-N252 PolarHBondContact O-N 3.42Å; F249-L255 HydrophobicContact CB-CD1 4.26Å; F249-L255 HydrophobicContact CB-CD2 4.16Å; F249-L255 HydrophobicContact CD1-CD2 4.13Å; F249-L255 HydrophobicContact CG-CD1 4.46Å; F249-L255 HydrophobicContact CG-CD2 4.2Å
250N86.1Confident87.9Confident17 Ų1761 Ų619%0.09132%0.324CS..Hα-helixtrans-71.5-35.1178.8-162.178.5000112.1K194 M246 I247 V248 N252 I441K194-N250 WeakPolarHBondContact CB-OD1 3.4Å; K194-N250 PolarHBondContact NZ-O 2.87Å; M246-N250 PolarHBondContact O-N 2.73Å; I247-N250 PolarHBondContact O-N 3.08Å; I247-N250 VanDerWaalsContact O-N 3.16Å; V248-N250 VanDerWaalsContact C-N 3.29Å; V248-N250 PolarHBondContact O-N 2.91Å; N250-N252 VanDerWaalsContact C-N 3.26Å; N250-N252 PolarHBondContact O-N 2.95Å; N250-I441 HydrophobicContact CB-CG2 3.91Å; N250-I441 WeakPolarHBondContact ND2-CG2 3.46Å; N250-I441 PolarHBondContact ND2-O 3.35Å
251N84.3Confident87.9Confident86 Ų8667.1 Ų67.146%0.4635%0.35SS..Hα-helixtrans-65.5-25.6176.2-71-6.3000113.7I247 V248 I441I247-N251 PolarHBondContact O-N 3.38Å; V248-N251 PolarHBondContact O-N 3.16Å; N251-I441 WeakPolarHBondContact OD1-CG1 3.21Å
252N81.4Confident87.8Confident63 Ų6371.6 Ų71.634%0.33737%0.372SS..SBendtrans-83.9118.1175.2-67.8-27.1000110.9K194 V248 F249 N250 Q254 L255K194-N252 PolarHBondContact NZ-O 3.26Å; V248-N252 PolarHBondContact O-N 3.05Å; F249-N252 PolarHBondContact O-N 3.42Å; N250-N252 VanDerWaalsContact C-N 3.26Å; N250-N252 PolarHBondContact O-N 2.95Å; N252-Q254 PolarHBondContact O-N 3.45Å; N252-L255 HydrophobicContact CB-CD2 4.12Å
253E74.2Confident87.6Confident185 Ų18571.1 Ų71.186%0.86437%0.371SS*.SBendtrans-60-47-177.3-68.4-171.2167.400113
254Q77.5Confident87.5Confident167 Ų16775.5 Ų75.578%0.7839%0.394SS*.SBendtrans-114.6118.1178.8-65.5-174.7-3.600110.7N252 Q259N252-Q254 PolarHBondContact O-N 3.45Å; Q254-Q259 PolarHBondContact O-OE1 3.39Å
255L79.2Confident87.6Confident60 Ų6073.7 Ų73.731%0.31439%0.39SS..  trans-88.2108.4172.6-66.1179.9000109.8K194 F249 N252K194-L255 HydrophobicContact CD-CD1 3.57Å; K194-L255 HydrophobicContact CD-CG 4.1Å; K194-L255 HydrophobicContact CG-CD1 4.07Å; F249-L255 HydrophobicContact CB-CD1 4.26Å; F249-L255 HydrophobicContact CB-CD2 4.16Å; F249-L255 HydrophobicContact CD1-CD2 4.13Å; F249-L255 HydrophobicContact CG-CD1 4.46Å; F249-L255 HydrophobicContact CG-CD2 4.2Å; N252-L255 HydrophobicContact CB-CD2 4.12Å
256S85.6Confident87.6Confident58 Ų5874.7 Ų74.741%0.40640%0.399SS..  trans-76.1151166.8175.40000110.3I258 Q259 I260S256-I258 PolarHBondContact O-N 2.9Å; S256-I258 PolarHBondContact OG-N 3.45Å; S256-Q259 WeakPolarHBondContact O-CA 3.35Å; S256-Q259 WeakPolarHBondContact O-CB 3.24Å; S256-Q259 PolarHBondContact O-N 2.98Å; S256-I260 PolarHBondContact O-N 2.85Å
257S87.1Confident87.6Confident98 Ų9875 Ų7569%0.68540%0.4SS*.Hα-helixtrans-52.8-30.6173.4-53.20000112.6I260 F261S257-I260 PolarHBondContact O-N 2.96Å; S257-F261 PolarHBondContact O-N 3.36Å; S257-F261 VanDerWaalsContact O-N 3.09Å
258I89.5Confident87.8Confident115 Ų11578.4 Ų78.459%0.5941%0.414SS*.Hα-helixtrans-64.7-41175.2-63.6166000111.1S256 I260 F261 I262S256-I258 PolarHBondContact O-N 2.9Å; S256-I258 PolarHBondContact OG-N 3.45Å; I258-I260 VanDerWaalsContact C-N 3.33Å; I258-I260 PolarHBondContact O-N 3.25Å; I258-F261 PolarHBondContact O-N 2.85Å; I258-I262 HydrophobicContact CG2-CD1 3.88Å; I258-I262 HydrophobicContact CG2-CG1 4.46Å; I258-I262 VanDerWaalsContact O-CG1 3.27Å; I258-I262 WeakPolarHBondContact O-CG1 3.39Å; I258-I262 PolarHBondContact O-N 3.05Å
259Q88.8Confident88.1Confident60 Ų6078.2 Ų78.228%0.2841%0.413SS..Hα-helixtrans-68.2-34.5178.6-67178.8-500111.9Q254 S256 I262 G263Q254-Q259 PolarHBondContact O-OE1 3.39Å; S256-Q259 WeakPolarHBondContact O-CA 3.35Å; S256-Q259 WeakPolarHBondContact O-CB 3.24Å; S256-Q259 PolarHBondContact O-N 2.98Å; Q259-I262 PolarHBondContact O-N 3.45Å; Q259-G263 PolarHBondContact O-N 3.37Å
260I90Very high88.3Confident80 Ų8077.9 Ų77.941%0.4141%0.414SS..Hα-helixtrans-63.2-46.2173.5-60174.1000109.7S256 S257 I258 I262 G263 I264S256-I260 PolarHBondContact O-N 2.85Å; S257-I260 PolarHBondContact O-N 2.96Å; I258-I260 VanDerWaalsContact C-N 3.33Å; I258-I260 PolarHBondContact O-N 3.25Å; I260-I262 VanDerWaalsContact C-N 3.33Å; I260-I262 PolarHBondContact O-N 2.96Å; I260-G263 PolarHBondContact O-N 3.49Å; I260-G263 VanDerWaalsContact O-N 3.13Å; I260-I264 HydrophobicContact CG2-CD1 4.22Å; I260-I264 WeakPolarHBondContact O-CG1 3.44Å; I260-I264 PolarHBondContact O-N 2.91Å
261F91.5Very high88.7Confident150 Ų15077.9 Ų77.966%0.65842%0.415SS*.Hα-helixtrans-61.2-41.3175.2-175.5-99.1000112.1S257 I258 G263 I264 A265S257-F261 PolarHBondContact O-N 3.36Å; S257-F261 VanDerWaalsContact O-N 3.09Å; I258-F261 PolarHBondContact O-N 2.85Å; F261-G263 VanDerWaalsContact C-N 3.31Å; F261-G263 PolarHBondContact O-N 2.89Å; F261-I264 PolarHBondContact O-N 3.45Å; F261-A265 WeakPolarHBondContact O-CB 3.35Å; F261-A265 PolarHBondContact O-N 3.47Å
262I91.9Very high89.3Confident100 Ų10080.3 Ų80.351%0.51342%0.422SS..Hα-helixtrans-61.1-39.6173.7-69.1165000111I258 Q259 I260 A265 S266I258-I262 HydrophobicContact CG2-CD1 3.88Å; I258-I262 HydrophobicContact CG2-CG1 4.46Å; I258-I262 VanDerWaalsContact O-CG1 3.27Å; I258-I262 WeakPolarHBondContact O-CG1 3.39Å; I258-I262 PolarHBondContact O-N 3.05Å; Q259-I262 PolarHBondContact O-N 3.45Å; I260-I262 VanDerWaalsContact C-N 3.33Å; I260-I262 PolarHBondContact O-N 2.96Å; I262-A265 PolarHBondContact O-N 3.08Å; I262-S266 WeakPolarHBondContact O-CA 3.35Å; I262-S266 WeakPolarHBondContact O-CB 3.33Å; I262-S266 PolarHBondContact O-N 2.95Å
263G91Very high90Very high6 Ų677.8 Ų77.86%0.06241%0.41CS..Hα-helixtrans-67.3-38.1175.900000113.4Q259 I260 F261 S266 F267Q259-G263 PolarHBondContact O-N 3.37Å; I260-G263 PolarHBondContact O-N 3.49Å; I260-G263 VanDerWaalsContact O-N 3.13Å; F261-G263 VanDerWaalsContact C-N 3.31Å; F261-G263 PolarHBondContact O-N 2.89Å; G263-S266 WeakPolarHBondContact O-CB 3.32Å; G263-S266 PolarHBondContact O-N 3.13Å; G263-F267 PolarHBondContact O-N 3.45Å
264I92.1Very high91.1Very high92 Ų9269 Ų6947%0.47237%0.369SS..Hα-helixtrans-64.9-45.8173.4-64.8166.3000110.3I260 F261 S266 F267 F268I260-I264 HydrophobicContact CG2-CD1 4.22Å; I260-I264 WeakPolarHBondContact O-CG1 3.44Å; I260-I264 PolarHBondContact O-N 2.91Å; F261-I264 PolarHBondContact O-N 3.45Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.3Å; I264-F267 WeakPolarHBondContact O-CB 3.38Å; I264-F267 PolarHBondContact O-N 3.02Å; I264-F268 HydrophobicContact CG2-CD2 4.4Å; I264-F268 HydrophobicContact CG2-CE2 4.18Å; I264-F268 WeakPolarHBondContact O-CD2 3.43Å; I264-F268 PolarHBondContact O-N 3.28Å
265A93.2Very high92Very high40 Ų4064.7 Ų64.733%0.33135%0.351SS..Hα-helixtrans-62.9-38.5175.200000111.5F261 I262 F268 T269F261-A265 WeakPolarHBondContact O-CB 3.35Å; F261-A265 PolarHBondContact O-N 3.47Å; I262-A265 PolarHBondContact O-N 3.08Å; A265-F268 PolarHBondContact O-N 3.19Å; A265-T269 VanDerWaalsContact O-CB 3.3Å; A265-T269 WeakPolarHBondContact O-CB 3.27Å; A265-T269 PolarHBondContact O-N 3.24Å; A265-T269 PolarHBondContact O-OG1 3.12Å
266S92.9Very high92.9Very high46 Ų4668 Ų6832%0.32236%0.363SS..Hα-helixtrans-63.2-42.5176.2179.40000111.1I262 G263 I264 F268 T269 V270I262-S266 WeakPolarHBondContact O-CA 3.35Å; I262-S266 WeakPolarHBondContact O-CB 3.33Å; I262-S266 PolarHBondContact O-N 2.95Å; G263-S266 WeakPolarHBondContact O-CB 3.32Å; G263-S266 PolarHBondContact O-N 3.13Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.3Å; S266-F268 PolarHBondContact O-N 3.17Å; S266-T269 PolarHBondContact O-N 3.12Å; S266-V270 VanDerWaalsContact O-CB 3.26Å; S266-V270 WeakPolarHBondContact O-CB 3.25Å; S266-V270 VanDerWaalsContact O-CG2 3.24Å; S266-V270 WeakPolarHBondContact O-CG2 3.22Å; S266-V270 PolarHBondContact O-N 3.16Å
267F94.1Very high93.5Very high15 Ų1565.6 Ų65.67%0.06635%0.346CS..Hα-helixtrans-53-51.7175.5176.7-96.2000112.2V161 I165 I238 V241 L242 I245 G263 I264 S271V161-F267 HydrophobicContact CG1-CE1 4.41Å; I165-F267 HydrophobicContact CD1-CE1 4.09Å; I165-F267 HydrophobicContact CD1-CZ 4.16Å; I238-F267 HydrophobicContact CG2-CE2 3.88Å; I238-F267 HydrophobicContact CG2-CZ 3.86Å; V241-F267 HydrophobicContact CG1-CD2 3.79Å; V241-F267 HydrophobicContact CG1-CE2 4.2Å; L242-F267 HydrophobicContact CD2-CD2 3.98Å; L242-F267 HydrophobicContact CD2-CE2 4.05Å; L242-F267 HydrophobicContact CG-CD2 4.33Å; L242-F267 HydrophobicContact CG-CE2 4.02Å; I245-F267 HydrophobicContact CD1-CB 3.78Å; I245-F267 HydrophobicContact CD1-CD2 4.16Å; G263-F267 PolarHBondContact O-N 3.45Å; I264-F267 WeakPolarHBondContact O-CB 3.38Å; I264-F267 PolarHBondContact O-N 3.02Å; F267-S271 VanDerWaalsContact O-CB 3.26Å; F267-S271 WeakPolarHBondContact O-CB 3.22Å; F267-S271 PolarHBondContact O-N 3.14Å; F267-S271 VanDerWaalsContact O-N 3.11Å; F267-S271 PolarHBondContact O-OG 2.92Å
268F94.2Very high94Very high96 Ų9661 Ų6142%0.42131%0.313SS..Hα-helixtrans-69.8-39.1178.3-71.2-69.8000112.2I264 A265 S266 S271 F272I264-F268 HydrophobicContact CG2-CD2 4.4Å; I264-F268 HydrophobicContact CG2-CE2 4.18Å; I264-F268 WeakPolarHBondContact O-CD2 3.43Å; I264-F268 PolarHBondContact O-N 3.28Å; A265-F268 PolarHBondContact O-N 3.19Å; S266-F268 PolarHBondContact O-N 3.17Å; F268-S271 PolarHBondContact O-N 2.84Å; F268-F272 HydrophobicContact CB-CD2 4.11Å; F268-F272 HydrophobicContact CB-CE2 4.26Å; F268-F272 HydrophobicContact CD1-CD2 4.36Å; F268-F272 AromaticContact CD1-CE2 3.74Å; F268-F272 HydrophobicContact CD1-CE2 3.74Å; F268-F272 HydrophobicContact CG-CE2 4.43Å; F268-F272 WeakPolarHBondContact O-CB 3.07Å; F268-F272 WeakPolarHBondContact O-CD2 3.22Å; F268-F272 PolarHBondContact O-N 3.21Å
269T95.2Very high94.4Very high79 Ų7957.6 Ų57.649%0.48530%0.298SS..Hα-helixtrans-65.7-44.8-179.4-560000111.9A265 S266 S271 G273A265-T269 VanDerWaalsContact O-CB 3.3Å; A265-T269 WeakPolarHBondContact O-CB 3.27Å; A265-T269 PolarHBondContact O-N 3.24Å; A265-T269 PolarHBondContact O-OG1 3.12Å; S266-T269 PolarHBondContact O-N 3.12Å; T269-S271 VanDerWaalsContact C-N 3.34Å; T269-G273 VanDerWaalsContact O-CA 3.31Å; T269-G273 WeakPolarHBondContact O-CA 3.5Å; T269-G273 PolarHBondContact O-N 2.91Å
270V95.2Very high94.8Very high23 Ų2358.5 Ų58.514%0.13930%0.304CS..Hα-helixtrans-66.1-38.4177.4168.50000110.9V241 S266 G274 S317V241-V270 HydrophobicContact CG1-CB 4.42Å; V241-V270 HydrophobicContact CG1-CG1 4Å; V241-V270 HydrophobicContact CG2-CG1 4.09Å; S266-V270 VanDerWaalsContact O-CB 3.26Å; S266-V270 WeakPolarHBondContact O-CB 3.25Å; S266-V270 VanDerWaalsContact O-CG2 3.24Å; S266-V270 WeakPolarHBondContact O-CG2 3.22Å; S266-V270 PolarHBondContact O-N 3.16Å; V270-G274 PolarHBondContact O-N 2.8Å; V270-S317 PolarHBondContact O-N 3.48Å
271S94.5Very high95.2Very high17 Ų1755.9 Ų55.912%0.11929%0.29CS..Hα-helixtrans-72.2-53.4179.9-58.60000112.4F267 F268 T269 G274 L275 I320F267-S271 VanDerWaalsContact O-CB 3.26Å; F267-S271 WeakPolarHBondContact O-CB 3.22Å; F267-S271 PolarHBondContact O-N 3.14Å; F267-S271 VanDerWaalsContact O-N 3.11Å; F267-S271 PolarHBondContact O-OG 2.92Å; F268-S271 PolarHBondContact O-N 2.84Å; T269-S271 VanDerWaalsContact C-N 3.34Å; S271-G274 PolarHBondContact O-N 2.79Å; S271-L275 WeakPolarHBondContact O-CB 3.21Å; S271-L275 PolarHBondContact O-N 3.01Å; S271-I320 WeakPolarHBondContact O-CG2 3.41Å
272F95.4Very high95.4Very high137 Ų13748.8 Ų48.860%0.60126%0.259SS*.Hα-helixtrans-70.1-35.4178.6-73.1-60.8000112.4F268 L275 F276F268-F272 HydrophobicContact CB-CD2 4.11Å; F268-F272 HydrophobicContact CB-CE2 4.26Å; F268-F272 HydrophobicContact CD1-CD2 4.36Å; F268-F272 AromaticContact CD1-CE2 3.74Å; F268-F272 HydrophobicContact CD1-CE2 3.74Å; F268-F272 HydrophobicContact CG-CE2 4.43Å; F268-F272 WeakPolarHBondContact O-CB 3.07Å; F268-F272 WeakPolarHBondContact O-CD2 3.22Å; F268-F272 PolarHBondContact O-N 3.21Å; F272-L275 PolarHBondContact O-N 3.12Å; F272-F276 WeakPolarHBondContact O-CB 3.41Å; F272-F276 PolarHBondContact O-N 3.06Å
273G96.8Very high95.6Very high9 Ų946.9 Ų46.99%0.09325%0.249CC..Hα-helixtrans-61.6-47.3172.900000111.6T269 L275 F276 I277 W316T269-G273 VanDerWaalsContact O-CA 3.31Å; T269-G273 WeakPolarHBondContact O-CA 3.5Å; T269-G273 PolarHBondContact O-N 2.91Å; G273-L275 PolarHBondContact O-N 3.28Å; G273-F276 WeakPolarHBondContact O-CB 3.47Å; G273-F276 PolarHBondContact O-N 3.49Å; G273-I277 PolarHBondContact O-N 3.37Å; G273-I277 VanDerWaalsContact O-N 3.07Å; G273-W316 WeakPolarHBondContact O-CZ3 3.5Å
274G97.5Very high95.8Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-56.8-50.9173.200000111.5V270 S271 F276 I277 G278 S321V270-G274 PolarHBondContact O-N 2.8Å; S271-G274 PolarHBondContact O-N 2.79Å; G274-F276 VanDerWaalsContact C-N 3.29Å; G274-F276 PolarHBondContact O-N 3.13Å; G274-I277 PolarHBondContact O-N 3.39Å; G274-G278 PolarHBondContact O-N 3.44Å; G274-S321 WeakPolarHBondContact O-CA 3.32Å; G274-S321 WeakPolarHBondContact O-CB 3.31Å
275L96.8Very high96Very high77 Ų7745 Ų4540%0.40324%0.238SC..Hα-helixtrans-57.2-41.2177.6-172.1141.7000112.4S271 F272 G273 G278 V279 I320S271-L275 WeakPolarHBondContact O-CB 3.21Å; S271-L275 PolarHBondContact O-N 3.01Å; F272-L275 PolarHBondContact O-N 3.12Å; G273-L275 PolarHBondContact O-N 3.28Å; L275-G278 PolarHBondContact O-N 3.41Å; L275-V279 HydrophobicContact CD2-CG2 4.03Å; L275-V279 WeakPolarHBondContact O-CG2 3.29Å; L275-V279 PolarHBondContact O-N 2.84Å; L275-I320 HydrophobicContact CB-CG2 3.8Å; L275-I320 HydrophobicContact CD1-CG2 4.48Å
276F97.6Very high96Very high130 Ų13043.1 Ų43.157%0.5722%0.222SC*.Hα-helixtrans-62-47.1178175.6-100.5000112.2F272 G273 G274 G278 V279 L280F272-F276 WeakPolarHBondContact O-CB 3.41Å; F272-F276 PolarHBondContact O-N 3.06Å; G273-F276 WeakPolarHBondContact O-CB 3.47Å; G273-F276 PolarHBondContact O-N 3.49Å; G274-F276 VanDerWaalsContact C-N 3.29Å; G274-F276 PolarHBondContact O-N 3.13Å; F276-G278 VanDerWaalsContact C-N 3.29Å; F276-G278 PolarHBondContact O-N 2.88Å; F276-V279 PolarHBondContact O-N 3.39Å; F276-L280 WeakPolarHBondContact O-CB 3.38Å; F276-L280 PolarHBondContact O-N 2.99Å
277I97.8Very high96Very high8 Ų844.8 Ų44.84%0.04123%0.227CC..Hα-helixtrans-59.6-44.4174.4-66.7175.7000110.1G273 G274 V279 L280 F281 I310 A311 I314 W316G273-I277 PolarHBondContact O-N 3.37Å; G273-I277 VanDerWaalsContact O-N 3.07Å; G274-I277 PolarHBondContact O-N 3.39Å; I277-V279 PolarHBondContact O-N 3.27Å; I277-L280 WeakPolarHBondContact O-CB 3.26Å; I277-L280 PolarHBondContact O-N 3.39Å; I277-F281 HydrophobicContact CG2-CD2 3.65Å; I277-F281 HydrophobicContact CG2-CE2 3.84Å; I277-F281 WeakPolarHBondContact O-CD2 3.29Å; I277-F281 PolarHBondContact O-N 2.95Å; I277-I310 HydrophobicContact CG2-CG2 4.27Å; I277-A311 HydrophobicContact CB-CB 4.38Å; I277-A311 HydrophobicContact CD1-CB 3.87Å; I277-A311 HydrophobicContact CG2-CB 4.15Å; I277-I314 HydrophobicContact CD1-CB 4.45Å; I277-I314 HydrophobicContact CD1-CD1 3.57Å; I277-W316 HydrophobicContact CD1-CD2 4.36Å; I277-W316 HydrophobicContact CD1-CE3 3.34Å; I277-W316 HydrophobicContact CD1-CZ3 3.82Å; I277-W316 HydrophobicContact CG1-CE3 3.81Å; I277-W316 HydrophobicContact CG1-CZ3 3.9Å
278G98Very high95.9Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-52.9-54.1175.400000113.1G274 L275 F276 L280 F281 G282 S307 S321 C325G274-G278 PolarHBondContact O-N 3.44Å; L275-G278 PolarHBondContact O-N 3.41Å; F276-G278 VanDerWaalsContact C-N 3.29Å; F276-G278 PolarHBondContact O-N 2.88Å; G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 2.89Å; G278-F281 PolarHBondContact O-N 3.28Å; G278-G282 PolarHBondContact O-N 3.46Å; G278-S307 WeakPolarHBondContact CA-OG 3.28Å; G278-S321 WeakPolarHBondContact CA-O 3.31Å; G278-S321 PolarHBondContact N-OG 3.24Å; G278-C325 WeakPolarHBondContact O-CA 3.38Å; G278-C325 VanDerWaalsContact O-CB 3.31Å; G278-C325 WeakPolarHBondContact O-CB 3.35Å; G278-C325 PolarHBondContact O-N 3.36Å
279V97.5Very high95.7Very high44 Ų4443.3 Ų43.327%0.26722%0.224SC..Hα-helixtrans-61.9-41178.8171.80000111.3L275 F276 I277 G282 I283 I328L275-V279 HydrophobicContact CD2-CG2 4.03Å; L275-V279 WeakPolarHBondContact O-CG2 3.29Å; L275-V279 PolarHBondContact O-N 2.84Å; F276-V279 PolarHBondContact O-N 3.39Å; I277-V279 PolarHBondContact O-N 3.27Å; V279-G282 PolarHBondContact O-N 2.87Å; V279-I283 HydrophobicContact CG1-CD1 3.89Å; V279-I283 VanDerWaalsContact O-CG1 3.32Å; V279-I283 WeakPolarHBondContact O-CG1 3.44Å; V279-I283 PolarHBondContact O-N 3.07Å; V279-I328 HydrophobicContact CG1-CG1 4.37Å; V279-I328 HydrophobicContact CG2-CG1 4.19Å
280L97.6Very high95.4Very high79 Ų7944.3 Ų44.341%0.41422%0.219SC..Hα-helixtrans-59.8-51.1177.5-17870.1000111.6F276 I277 G278 G282 I283 I284F276-L280 WeakPolarHBondContact O-CB 3.38Å; F276-L280 PolarHBondContact O-N 2.99Å; I277-L280 WeakPolarHBondContact O-CB 3.26Å; I277-L280 PolarHBondContact O-N 3.39Å; G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 2.89Å; L280-G282 VanDerWaalsContact C-N 3.32Å; L280-G282 PolarHBondContact O-N 2.94Å; L280-I283 PolarHBondContact O-N 2.86Å; L280-I284 HydrophobicContact CG-CD1 4.11Å; L280-I284 VanDerWaalsContact O-CG1 3.32Å; L280-I284 WeakPolarHBondContact O-CG1 3.47Å; L280-I284 PolarHBondContact O-N 3.41Å
281F97.7Very high95Very high26 Ų2649.2 Ų49.211%0.11424%0.243CC..Hα-helixtrans-69.3-30.6177.7-83.2-77.4000112.9I277 G278 I284 T285 L303 F306 I310I277-F281 HydrophobicContact CG2-CD2 3.65Å; I277-F281 HydrophobicContact CG2-CE2 3.84Å; I277-F281 WeakPolarHBondContact O-CD2 3.29Å; I277-F281 PolarHBondContact O-N 2.95Å; G278-F281 PolarHBondContact O-N 3.28Å; F281-I284 HydrophobicContact CD1-CD1 4.28Å; F281-I284 HydrophobicContact CE1-CD1 4.44Å; F281-I284 PolarHBondContact O-N 3.04Å; F281-T285 WeakPolarHBondContact O-CB 3.26Å; F281-T285 PolarHBondContact O-N 3.42Å; F281-T285 PolarHBondContact O-OG1 3.04Å; F281-L303 HydrophobicContact CD1-CD2 4.35Å; F281-F306 HydrophobicContact CD1-CD1 4.08Å; F281-F306 AromaticContact CE1-CD1 3.35Å; F281-F306 HydrophobicContact CE1-CD1 3.35Å; F281-F306 AromaticContact CE1-CE1 3.56Å; F281-F306 HydrophobicContact CE1-CE1 3.56Å; F281-F306 AromaticContact CZ-CD1 3.8Å; F281-F306 HydrophobicContact CZ-CD1 3.8Å; F281-F306 AromaticContact CZ-CE1 3.73Å; F281-F306 HydrophobicContact CZ-CE1 3.73Å; F281-I310 HydrophobicContact CE2-CB 4.12Å; F281-I310 HydrophobicContact CE2-CG1 4.32Å; F281-I310 HydrophobicContact CE2-CG2 3.9Å; F281-I310 HydrophobicContact CZ-CB 4.4Å; F281-I310 HydrophobicContact CZ-CG1 4.09Å; F281-I310 HydrophobicContact CZ-CG2 4.33Å
282G96.8Very high94.3Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-58.8-48.3169.200000111.4G278 V279 L280 T285 C286 I328G278-G282 PolarHBondContact O-N 3.46Å; V279-G282 PolarHBondContact O-N 2.87Å; L280-G282 VanDerWaalsContact C-N 3.32Å; L280-G282 PolarHBondContact O-N 2.94Å; G282-T285 WeakPolarHBondContact O-CB 3.33Å; G282-T285 PolarHBondContact O-N 3.4Å; G282-C286 PolarHBondContact O-N 3.4Å; G282-C286 PolarHBondContact O-SG 3.44Å; G282-I328 VanDerWaalsContact C-CG2 3.48Å
283I95.9Very high93.8Very high61 Ų6151.1 Ų51.131%0.31326%0.257SS..Hα-helixtrans-62.4-46.3176.3-71.6165.1000111.1V279 L280 T285 C286 L287 I328 L535V279-I283 HydrophobicContact CG1-CD1 3.89Å; V279-I283 VanDerWaalsContact O-CG1 3.32Å; V279-I283 WeakPolarHBondContact O-CG1 3.44Å; V279-I283 PolarHBondContact O-N 3.07Å; L280-I283 PolarHBondContact O-N 2.86Å; I283-T285 VanDerWaalsContact C-N 3.27Å; I283-T285 PolarHBondContact O-N 3.34Å; I283-C286 WeakPolarHBondContact O-CB 3.38Å; I283-C286 PolarHBondContact O-N 3.14Å; I283-C286 VanDerWaalsContact O-N 3.08Å; I283-L287 HydrophobicContact CG2-CD1 4.26Å; I283-L287 WeakPolarHBondContact O-CG 3.4Å; I283-L287 PolarHBondContact O-N 3.1Å; I283-I328 HydrophobicContact CG1-CG2 4.42Å; I283-L535 HydrophobicContact CB-CD2 4.38Å; I283-L535 HydrophobicContact CG1-CD1 4.49Å; I283-L535 HydrophobicContact CG1-CD2 4.37Å; I283-L535 HydrophobicContact CG2-CD2 3.8Å
284I95.7Very high93.2Very high59 Ų5958.2 Ų58.230%0.30329%0.288SS..Hα-helixtrans-58.2-42.6176.6-69165.8000110.5L280 F281 C286 L287 I288L280-I284 HydrophobicContact CG-CD1 4.11Å; L280-I284 VanDerWaalsContact O-CG1 3.32Å; L280-I284 WeakPolarHBondContact O-CG1 3.47Å; L280-I284 PolarHBondContact O-N 3.41Å; F281-I284 HydrophobicContact CD1-CD1 4.28Å; F281-I284 HydrophobicContact CE1-CD1 4.44Å; F281-I284 PolarHBondContact O-N 3.04Å; I284-C286 VanDerWaalsContact C-N 3.32Å; I284-C286 PolarHBondContact O-N 3.45Å; I284-L287 PolarHBondContact O-N 2.78Å; I284-I288 HydrophobicContact CG2-CD1 3.64Å; I284-I288 HydrophobicContact CG2-CG1 4.39Å; I284-I288 WeakPolarHBondContact O-CG1 3.25Å; I284-I288 PolarHBondContact O-N 3.49Å
285T95.5Very high92.9Very high0 Ų063.5 Ų63.50%032%0.315CS..Hα-helixtrans-59.5-44.3175.1-53.70000111.2F281 G282 I283 L287 I288 T289 I300 L303 Q329 A333F281-T285 WeakPolarHBondContact O-CB 3.26Å; F281-T285 PolarHBondContact O-N 3.42Å; F281-T285 PolarHBondContact O-OG1 3.04Å; G282-T285 WeakPolarHBondContact O-CB 3.33Å; G282-T285 PolarHBondContact O-N 3.4Å; I283-T285 VanDerWaalsContact C-N 3.27Å; I283-T285 PolarHBondContact O-N 3.34Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 2.99Å; T285-I288 PolarHBondContact O-N 2.78Å; T285-T289 HydrophobicContact CG2-CG2 4.14Å; T285-T289 WeakPolarHBondContact O-CB 3.45Å; T285-T289 VanDerWaalsContact O-CG2 3.28Å; T285-T289 WeakPolarHBondContact O-CG2 3.35Å; T285-T289 PolarHBondContact O-N 2.79Å; T285-T289 PolarHBondContact O-OG1 3.43Å; T285-I300 HydrophobicContact CG2-CB 4.34Å; T285-I300 HydrophobicContact CG2-CG1 3.78Å; T285-L303 HydrophobicContact CG2-CD1 4.06Å; T285-L303 VanDerWaalsContact OG1-CB 3.24Å; T285-L303 WeakPolarHBondContact OG1-CB 3.22Å; T285-L303 WeakPolarHBondContact OG1-CD1 3.03Å; T285-Q329 HydrophobicContact CG2-CG 3.93Å; T285-Q329 PolarHBondContact OG1-NE2 2.69Å; T285-Q329 VanDerWaalsContact OG1-NE2 3.1Å; T285-A333 HydrophobicContact CG2-CB 4.23Å
286C93Very high92.6Very high0 Ų060.2 Ų60.20%030%0.299CS..Hα-helixtrans-61.1-43.6177.9-61.60000111.5G282 I283 I284 T289 R290 N336 L535G282-C286 PolarHBondContact O-N 3.4Å; G282-C286 PolarHBondContact O-SG 3.44Å; I283-C286 WeakPolarHBondContact O-CB 3.38Å; I283-C286 PolarHBondContact O-N 3.14Å; I283-C286 VanDerWaalsContact O-N 3.08Å; I284-C286 VanDerWaalsContact C-N 3.32Å; I284-C286 PolarHBondContact O-N 3.45Å; C286-T289 WeakPolarHBondContact CA-OG1 3.42Å; C286-T289 PolarHBondContact O-N 2.88Å; C286-T289 PolarHBondContact O-OG1 3.29Å; C286-R290 PolarHBondContact O-N 2.94Å; C286-N336 PolarHBondContact O-ND2 2.84Å; C286-L535 HydrophobicContact CB-CB 4.03Å; C286-L535 HydrophobicContact CB-CD2 3.99Å; C286-L535 HydrophobicContact CB-CG 4.45Å
287L92.5Very high92.4Very high80 Ų8054.9 Ų54.942%0.41928%0.277SS..Hα-helixtrans-64.7-43.3178.1-66.8175000112.4I283 I284 T285 R290 I534 L535I283-L287 HydrophobicContact CG2-CD1 4.26Å; I283-L287 WeakPolarHBondContact O-CG 3.4Å; I283-L287 PolarHBondContact O-N 3.1Å; I284-L287 PolarHBondContact O-N 2.78Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 2.99Å; L287-R290 WeakPolarHBondContact O-CB 3.42Å; L287-R290 PolarHBondContact O-N 3.26Å; L287-I534 HydrophobicContact CD2-CG2 4.41Å; L287-L535 HydrophobicContact CD2-CD2 4.45Å
288I92.5Very high92.2Very high74 Ų7460.6 Ų60.638%0.37930%0.302SS..Hα-helixtrans-66.9-42.3178.9-66.6166.4000110.9I284 T285 R290 I291 T299 L303I284-I288 HydrophobicContact CG2-CD1 3.64Å; I284-I288 HydrophobicContact CG2-CG1 4.39Å; I284-I288 WeakPolarHBondContact O-CG1 3.25Å; I284-I288 PolarHBondContact O-N 3.49Å; T285-I288 PolarHBondContact O-N 2.78Å; I288-R290 PolarHBondContact O-N 3.41Å; I288-R290 VanDerWaalsContact O-N 3.16Å; I288-I291 PolarHBondContact O-N 3.21Å; I288-I291 VanDerWaalsContact O-N 3.12Å; I288-T299 HydrophobicContact CG2-CG2 3.78Å; I288-L303 HydrophobicContact CD1-CD1 3.77Å
289T91.2Very high92Very high6 Ų662 Ų624%0.03731%0.31CS..Hα-helixtrans-67.5-11.5-179.249.70000114T285 C286 I291 I300 N336 I337T285-T289 HydrophobicContact CG2-CG2 4.14Å; T285-T289 WeakPolarHBondContact O-CB 3.45Å; T285-T289 VanDerWaalsContact O-CG2 3.28Å; T285-T289 WeakPolarHBondContact O-CG2 3.35Å; T285-T289 PolarHBondContact O-N 2.79Å; T285-T289 PolarHBondContact O-OG1 3.43Å; C286-T289 WeakPolarHBondContact CA-OG1 3.42Å; C286-T289 PolarHBondContact O-N 2.88Å; C286-T289 PolarHBondContact O-OG1 3.29Å; T289-I291 PolarHBondContact O-N 3.29Å; T289-I300 HydrophobicContact CG2-CD1 4.06Å; T289-I300 HydrophobicContact CG2-CG1 3.76Å; T289-N336 PolarHBondContact OG1-ND2 3.36Å; T289-I337 HydrophobicContact CG2-CG2 4.43Å
290R87.8Confident91.9Very high101 Ų10159.9 Ų59.938%0.38130%0.298SS..THydrogen-bonded Turntrans-61.7-30.9169.9-70.8179.562.5169.3-1.1112.3C286 L287 I288 H292 I534 R537C286-R290 PolarHBondContact O-N 2.94Å; L287-R290 WeakPolarHBondContact O-CB 3.42Å; L287-R290 PolarHBondContact O-N 3.26Å; I288-R290 PolarHBondContact O-N 3.41Å; I288-R290 VanDerWaalsContact O-N 3.16Å; R290-H292 PolarHBondContact O-N 3.47Å; R290-I534 PolarHBondContact NH1-O 2.93Å; R290-R537 HydrophobicContact CG-CB 4.36Å; R290-R537 PolarHBondContact O-NH1 3.29Å
291I86.6Confident91.9Very high126 Ų12657.8 Ų57.865%0.64629%0.286SS*.SBendtrans-77.9121.7176.6-55.2172.9000107.8I288 T289 S293I288-I291 PolarHBondContact O-N 3.21Å; I288-I291 VanDerWaalsContact O-N 3.12Å; T289-I291 PolarHBondContact O-N 3.29Å; I291-S293 PolarHBondContact O-N 3.22Å; I291-S293 VanDerWaalsContact O-N 3.09Å
292H80.6Confident91.8Very high139 Ų13960.7 Ų60.764%0.64430%0.303SS*.  trans-61.1119.1174.8-92.1-27.4000110.2R290 R537R290-H292 PolarHBondContact O-N 3.47Å; H292-R537 PolarHBondContact CD2-NH1 2.88Å; H292-R537 PolarHBondContact CD2-NH2 3.43Å; H292-R537 VanDerWaalsContact CD2-NH2 3.34Å; H292-R537 PolarHBondContact CE1-NH1 3.32Å; H292-R537 PolarHBondContact ND1-NH1 3.38Å; H292-R537 VanDerWaalsContact NE2-CZ 3.34Å; H292-R537 PolarHBondContact NE2-NH1 3.18Å; H292-R537 PolarHBondContact NE2-NH2 2.98Å
293S83.7Confident91.8Very high55 Ų5561.7 Ų61.739%0.38531%0.308SS..  trans-143.7139172.3178.20000109.2I291 L295 S296I291-S293 PolarHBondContact O-N 3.22Å; I291-S293 VanDerWaalsContact O-N 3.09Å; S293-L295 PolarHBondContact O-N 3.36Å; S293-L295 PolarHBondContact OG-N 3.38Å; S293-L295 VanDerWaalsContact OG-N 3.14Å; S293-S296 WeakPolarHBondContact O-CB 3.23Å; S293-S296 PolarHBondContact O-N 3.15Å; S293-S296 PolarHBondContact O-OG 3.15Å
294H85.6Confident91.9Very high158 Ų15858.8 Ų58.873%0.73129%0.293SS*.THydrogen-bonded Turntrans-63.8-16.2170.7-66.7-70.9000112.4S296 Y341H294-S296 VanDerWaalsContact C-N 3.31Å; H294-Y341 PolarHBondContact ND1-OH 3.28Å
295L90.1Very high92Very high110 Ų11059.8 Ų59.858%0.57629%0.294SS*.THydrogen-bonded Turntrans-886.8177.6-58.8177000113.5S293 V297 F298 T299S293-L295 PolarHBondContact O-N 3.36Å; S293-L295 PolarHBondContact OG-N 3.38Å; S293-L295 VanDerWaalsContact OG-N 3.14Å; L295-V297 VanDerWaalsContact C-N 3.31Å; L295-V297 PolarHBondContact O-N 3.39Å; L295-F298 WeakPolarHBondContact O-CB 3.43Å; L295-F298 PolarHBondContact O-N 3.42Å; L295-T299 PolarHBondContact O-N 3.46Å; L295-T299 PolarHBondContact O-OG1 2.98Å
296S91.2Very high92Very high9 Ų964.1 Ų64.16%0.06331%0.313CS..Hα-helixtrans-53.9-42.6-173.957.80000114S293 H294 T299 I300S293-S296 WeakPolarHBondContact O-CB 3.23Å; S293-S296 PolarHBondContact O-N 3.15Å; S293-S296 PolarHBondContact O-OG 3.15Å; H294-S296 VanDerWaalsContact C-N 3.31Å; S296-T299 PolarHBondContact O-N 3.43Å; S296-I300 WeakPolarHBondContact O-CG1 3.43Å; S296-I300 PolarHBondContact O-N 3.21Å
297V93.3Very high92.3Very high17 Ų1764.1 Ų64.110%0.10331%0.313CS..Hα-helixtrans-60.2-47.4175.91780000111L295 T299 I300 L301 Y341 L345 I348L295-V297 VanDerWaalsContact C-N 3.31Å; L295-V297 PolarHBondContact O-N 3.39Å; V297-T299 PolarHBondContact O-N 3.04Å; V297-I300 PolarHBondContact O-N 3.34Å; V297-L301 HydrophobicContact CG1-CD1 4.43Å; V297-L301 WeakPolarHBondContact O-CG 3.45Å; V297-L301 PolarHBondContact O-N 2.83Å; V297-Y341 HydrophobicContact CG2-CD1 4Å; V297-Y341 HydrophobicContact CG2-CG 4.36Å; V297-L345 HydrophobicContact CG1-CB 4.09Å; V297-L345 HydrophobicContact CG1-CD1 3.88Å; V297-I348 HydrophobicContact CG1-CD1 4.23Å
298F93.2Very high92.5Very high129 Ų12960.7 Ų60.757%0.56629%0.294SS*.Hα-helixtrans-62.7-43.1178.4177.1-100.5000111.4L295 I300 L301 L302L295-F298 WeakPolarHBondContact O-CB 3.43Å; L295-F298 PolarHBondContact O-N 3.42Å; F298-I300 VanDerWaalsContact C-N 3.34Å; F298-I300 PolarHBondContact O-N 2.94Å; F298-L301 PolarHBondContact O-N 3.2Å; F298-L302 HydrophobicContact CE1-CB 4.46Å; F298-L302 HydrophobicContact CE1-CD2 4.01Å; F298-L302 VanDerWaalsContact O-CB 3.25Å; F298-L302 WeakPolarHBondContact O-CB 3.34Å; F298-L302 PolarHBondContact O-N 2.93Å
299T93.9Very high92.6Very high29 Ų2959.3 Ų59.318%0.17829%0.287CS..Hα-helixtrans-59.8-42.3177.7-57.70000112.4I288 L295 S296 V297 L302 L303I288-T299 HydrophobicContact CG2-CG2 3.78Å; L295-T299 PolarHBondContact O-N 3.46Å; L295-T299 PolarHBondContact O-OG1 2.98Å; S296-T299 PolarHBondContact O-N 3.43Å; V297-T299 PolarHBondContact O-N 3.04Å; T299-L302 PolarHBondContact O-N 3.18Å; T299-L303 HydrophobicContact CG2-CD1 3.76Å; T299-L303 HydrophobicContact CG2-CG 4.45Å; T299-L303 WeakPolarHBondContact O-CB 3.34Å; T299-L303 WeakPolarHBondContact O-CG 3.47Å; T299-L303 PolarHBondContact O-N 3.3Å
300I96Very high92.9Very high0 Ų061.2 Ų61.20%030%0.297CS..Hα-helixtrans-61.5-48.6178.2-71.7167000110.7Y142 T285 T289 S296 V297 F298 A304 Q329 F334 I337 L345Y142-I300 WeakPolarHBondContact OH-CG2 3.42Å; T285-I300 HydrophobicContact CG2-CB 4.34Å; T285-I300 HydrophobicContact CG2-CG1 3.78Å; T289-I300 HydrophobicContact CG2-CD1 4.06Å; T289-I300 HydrophobicContact CG2-CG1 3.76Å; S296-I300 WeakPolarHBondContact O-CG1 3.43Å; S296-I300 PolarHBondContact O-N 3.21Å; V297-I300 PolarHBondContact O-N 3.34Å; F298-I300 VanDerWaalsContact C-N 3.34Å; F298-I300 PolarHBondContact O-N 2.94Å; I300-A304 WeakPolarHBondContact O-CB 3.33Å; I300-A304 PolarHBondContact O-N 3.35Å; I300-Q329 PolarHBondContact O-NE2 3.25Å; I300-F334 HydrophobicContact CG2-CE1 4.46Å; I300-I337 HydrophobicContact CD1-CD1 3.78Å; I300-I337 HydrophobicContact CD1-CG2 4.16Å; I300-L345 HydrophobicContact CD1-CD2 4.29Å; I300-L345 HydrophobicContact CG2-CD1 4.28Å; I300-L345 HydrophobicContact CG2-CD2 3.97Å
301L96.4Very high93.3Very high34 Ų3456.4 Ų56.418%0.17828%0.279CS..Hα-helixtrans-63.9-43.8178.3-65.2178.3000112.1L138 V297 F298 A304 Y305 L345 I348 T349L138-L301 HydrophobicContact CD2-CD2 3.68Å; V297-L301 HydrophobicContact CG1-CD1 4.43Å; V297-L301 WeakPolarHBondContact O-CG 3.45Å; V297-L301 PolarHBondContact O-N 2.83Å; F298-L301 PolarHBondContact O-N 3.2Å; L301-A304 PolarHBondContact O-N 2.68Å; L301-Y305 PolarHBondContact O-N 2.87Å; L301-L345 HydrophobicContact CD1-CD1 4.25Å; L301-L345 HydrophobicContact CD2-CD1 3.52Å; L301-L345 HydrophobicContact CG-CD1 3.73Å; L301-I348 HydrophobicContact CD1-CG2 4.1Å; L301-T349 HydrophobicContact CD2-CG2 3.43Å; L301-T349 VanDerWaalsContact CD2-CG2 3.43Å
302L96.1Very high93.6Very high88 Ų8853 Ų5346%0.46126%0.262SS..Hα-helixtrans-60.6-48.3179.818068.4000111.2F298 T299 Y305 F306F298-L302 HydrophobicContact CE1-CB 4.46Å; F298-L302 HydrophobicContact CE1-CD2 4.01Å; F298-L302 VanDerWaalsContact O-CB 3.25Å; F298-L302 WeakPolarHBondContact O-CB 3.34Å; F298-L302 PolarHBondContact O-N 2.93Å; T299-L302 PolarHBondContact O-N 3.18Å; L302-Y305 PolarHBondContact O-N 3.26Å; L302-F306 VanDerWaalsContact O-CB 3.24Å; L302-F306 WeakPolarHBondContact O-CB 3.35Å; L302-F306 PolarHBondContact O-N 3.37Å
303L97.6Very high94.3Very high20 Ų2051.1 Ų51.111%0.10526%0.263CS..Hα-helixtrans-71.3-30.9-178.3-70.7168.6000112.6F281 T285 I288 T299 F306 S307F281-L303 HydrophobicContact CD1-CD2 4.35Å; T285-L303 HydrophobicContact CG2-CD1 4.06Å; T285-L303 VanDerWaalsContact OG1-CB 3.24Å; T285-L303 WeakPolarHBondContact OG1-CB 3.22Å; T285-L303 WeakPolarHBondContact OG1-CD1 3.03Å; I288-L303 HydrophobicContact CD1-CD1 3.77Å; T299-L303 HydrophobicContact CG2-CD1 3.76Å; T299-L303 HydrophobicContact CG2-CG 4.45Å; T299-L303 WeakPolarHBondContact O-CB 3.34Å; T299-L303 WeakPolarHBondContact O-CG 3.47Å; T299-L303 PolarHBondContact O-N 3.3Å; L303-F306 PolarHBondContact O-N 2.84Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.02Å
304A97.7Very high94.8Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-63.7-47.8171.600000111.5L138 I300 L301 S307 Y308L138-A304 HydrophobicContact CD1-CB 3.53Å; L138-A304 HydrophobicContact CD2-CB 3.92Å; L138-A304 HydrophobicContact CG-CB 4.38Å; I300-A304 WeakPolarHBondContact O-CB 3.33Å; I300-A304 PolarHBondContact O-N 3.35Å; L301-A304 PolarHBondContact O-N 2.68Å; A304-S307 WeakPolarHBondContact O-CB 3.45Å; A304-S307 PolarHBondContact O-N 3.43Å; A304-Y308 PolarHBondContact O-N 3.37Å
305Y96.7Very high95Very high81 Ų8148 Ų4832%0.31826%0.258SS..Hα-helixtrans-65.1-39.2175.5-171-97.7000112.4Y130 P134 L301 L302 S307 Y308 I309 M322Y130-Y305 WeakPolarHBondContact O-CE2 3.38Å; Y130-Y305 PolarHBondContact O-OH 2.97Å; P134-Y305 HydrophobicContact CB-CD2 3.98Å; P134-Y305 HydrophobicContact CB-CE2 3.97Å; P134-Y305 HydrophobicContact CG-CD2 4.49Å; P134-Y305 HydrophobicContact CG-CE2 4Å; L301-Y305 PolarHBondContact O-N 2.87Å; L302-Y305 PolarHBondContact O-N 3.26Å; Y305-S307 VanDerWaalsContact C-N 3.32Å; Y305-S307 PolarHBondContact O-N 3.22Å; Y305-Y308 WeakPolarHBondContact O-CB 3.45Å; Y305-Y308 PolarHBondContact O-N 3.42Å; Y305-I309 HydrophobicContact CD1-CG1 4.01Å; Y305-I309 HydrophobicContact CE1-CD1 3.97Å; Y305-I309 HydrophobicContact CE1-CG1 3.63Å; Y305-I309 PolarHBondContact O-N 3.34Å; Y305-I309 VanDerWaalsContact O-N 3.12Å; Y305-M322 HydrophobicContact CD2-CE 4.33Å
306F97.3Very high95.2Very high91 Ų9146.5 Ų46.540%0.39925%0.245SC..Hα-helixtrans-64.5-38177.5-169.7-125.3000112F281 L302 L303 Y308 I309 I310F281-F306 HydrophobicContact CD1-CD1 4.08Å; F281-F306 AromaticContact CE1-CD1 3.35Å; F281-F306 HydrophobicContact CE1-CD1 3.35Å; F281-F306 AromaticContact CE1-CE1 3.56Å; F281-F306 HydrophobicContact CE1-CE1 3.56Å; F281-F306 AromaticContact CZ-CD1 3.8Å; F281-F306 HydrophobicContact CZ-CD1 3.8Å; F281-F306 AromaticContact CZ-CE1 3.73Å; F281-F306 HydrophobicContact CZ-CE1 3.73Å; L302-F306 VanDerWaalsContact O-CB 3.24Å; L302-F306 WeakPolarHBondContact O-CB 3.35Å; L302-F306 PolarHBondContact O-N 3.37Å; L303-F306 PolarHBondContact O-N 2.84Å; F306-Y308 VanDerWaalsContact C-N 3.26Å; F306-Y308 PolarHBondContact O-N 3.34Å; F306-I309 PolarHBondContact O-N 3.37Å; F306-I310 HydrophobicContact CD1-CG1 4.16Å; F306-I310 HydrophobicContact CD2-CG1 4.05Å; F306-I310 HydrophobicContact CE1-CD1 4.27Å; F306-I310 HydrophobicContact CE1-CG1 3.86Å; F306-I310 HydrophobicContact CE2-CD1 3.77Å; F306-I310 HydrophobicContact CE2-CG1 3.74Å; F306-I310 HydrophobicContact CG-CG1 4.25Å; F306-I310 HydrophobicContact CZ-CD1 3.62Å; F306-I310 HydrophobicContact CZ-CG1 3.64Å; F306-I310 WeakPolarHBondContact O-CB 3.24Å; F306-I310 WeakPolarHBondContact O-CG1 3.5Å; F306-I310 PolarHBondContact O-N 3.44Å
307S97.8Very high95.4Very high0 Ų046.5 Ų46.50%025%0.245CC..Hα-helixtrans-57.3-40173-163.90000112.5G278 L303 A304 Y305 A311 S321G278-S307 WeakPolarHBondContact CA-OG 3.28Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.02Å; A304-S307 WeakPolarHBondContact O-CB 3.45Å; A304-S307 PolarHBondContact O-N 3.43Å; Y305-S307 VanDerWaalsContact C-N 3.32Å; Y305-S307 PolarHBondContact O-N 3.22Å; S307-A311 WeakPolarHBondContact O-CB 3.25Å; S307-A311 PolarHBondContact O-N 3.05Å; S307-A311 VanDerWaalsContact O-N 3.16Å; S307-S321 VanDerWaalsContact C-OG 3.28Å; S307-S321 PolarHBondContact O-OG 3.37Å; S307-S321 PolarHBondContact OG-OG 3.28Å
308Y96.5Very high95.5Very high7 Ų745.7 Ų45.73%0.02724%0.24CC..Hα-helixtrans-64.1-51.5176.1172.1-81.2000111.2S129 Y130 P134 A304 Y305 F306 I310 A311 D312 G318 I319 M322S129-Y308 PolarHBondContact O-OH 3.21Å; Y130-Y308 HydrophobicContact CD1-CE1 4.06Å; Y130-Y308 HydrophobicContact CE1-CE1 4.4Å; P134-Y308 HydrophobicContact CG-CE1 4.45Å; P134-Y308 HydrophobicContact CG-CE2 4.48Å; A304-Y308 PolarHBondContact O-N 3.37Å; Y305-Y308 WeakPolarHBondContact O-CB 3.45Å; Y305-Y308 PolarHBondContact O-N 3.42Å; F306-Y308 VanDerWaalsContact C-N 3.26Å; F306-Y308 PolarHBondContact O-N 3.34Å; Y308-I310 PolarHBondContact O-N 3.02Å; Y308-A311 PolarHBondContact O-N 3.4Å; Y308-D312 VanDerWaalsContact CE1-OD2 3.26Å; Y308-D312 WeakPolarHBondContact CE1-OD2 3.41Å; Y308-D312 VanDerWaalsContact CZ-OD2 3.29Å; Y308-D312 PolarHBondContact O-N 3.25Å; Y308-D312 PolarHBondContact OH-OD2 3.37Å; Y308-D312 VanDerWaalsContact OH-OD2 3.05Å; Y308-G318 WeakPolarHBondContact CD2-O 3.45Å; Y308-G318 WeakPolarHBondContact O-CA 3.36Å; Y308-I319 HydrophobicContact CD2-CG1 4.48Å; Y308-I319 HydrophobicContact CE2-CG1 3.79Å; Y308-M322 HydrophobicContact CD2-CB 4.43Å; Y308-M322 HydrophobicContact CD2-CE 4.01Å; Y308-M322 HydrophobicContact CG-CE 3.79Å
309I96.2Very high95.6Very high45 Ų4539.9 Ų39.923%0.23122%0.215CC..Hα-helixtrans-63.9-43.5-178.1-61.8-65.3000111.4Y130 Y305 F306 A311 D312 C313Y130-I309 HydrophobicContact CD1-CD1 4.03Å; Y130-I309 HydrophobicContact CE1-CD1 4.41Å; Y305-I309 HydrophobicContact CD1-CG1 4.01Å; Y305-I309 HydrophobicContact CE1-CD1 3.97Å; Y305-I309 HydrophobicContact CE1-CG1 3.63Å; Y305-I309 PolarHBondContact O-N 3.34Å; Y305-I309 VanDerWaalsContact O-N 3.12Å; F306-I309 PolarHBondContact O-N 3.37Å; I309-A311 PolarHBondContact O-N 3.43Å; I309-D312 PolarHBondContact O-N 3.27Å; I309-C313 PolarHBondContact O-N 3.19Å; I309-C313 PolarHBondContact O-SG 2.71Å
310I97Very high95.6Very high47 Ų4739.2 Ų39.224%0.24121%0.21CC..Hα-helixtrans-64.8-39.4179.9-69.5-66.3000111.9I277 F281 F306 Y308 C313 I314I277-I310 HydrophobicContact CG2-CG2 4.27Å; F281-I310 HydrophobicContact CE2-CB 4.12Å; F281-I310 HydrophobicContact CE2-CG1 4.32Å; F281-I310 HydrophobicContact CE2-CG2 3.9Å; F281-I310 HydrophobicContact CZ-CB 4.4Å; F281-I310 HydrophobicContact CZ-CG1 4.09Å; F281-I310 HydrophobicContact CZ-CG2 4.33Å; F306-I310 HydrophobicContact CD1-CG1 4.16Å; F306-I310 HydrophobicContact CD2-CG1 4.05Å; F306-I310 HydrophobicContact CE1-CD1 4.27Å; F306-I310 HydrophobicContact CE1-CG1 3.86Å; F306-I310 HydrophobicContact CE2-CD1 3.77Å; F306-I310 HydrophobicContact CE2-CG1 3.74Å; F306-I310 HydrophobicContact CG-CG1 4.25Å; F306-I310 HydrophobicContact CZ-CD1 3.62Å; F306-I310 HydrophobicContact CZ-CG1 3.64Å; F306-I310 WeakPolarHBondContact O-CB 3.24Å; F306-I310 WeakPolarHBondContact O-CG1 3.5Å; F306-I310 PolarHBondContact O-N 3.44Å; Y308-I310 PolarHBondContact O-N 3.02Å; I310-C313 WeakPolarHBondContact O-CB 3.46Å; I310-C313 PolarHBondContact O-N 3.2Å; I310-I314 HydrophobicContact CG2-CD1 3.95Å; I310-I314 WeakPolarHBondContact O-CG1 3.41Å; I310-I314 PolarHBondContact O-N 3.24Å; I310-I314 VanDerWaalsContact O-N 3.11Å
311A96.8Very high95.7Very high0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-64.3-43.4175.200000111.7I277 S307 Y308 I309 C313 I314 G315 W316 S321I277-A311 HydrophobicContact CB-CB 4.38Å; I277-A311 HydrophobicContact CD1-CB 3.87Å; I277-A311 HydrophobicContact CG2-CB 4.15Å; S307-A311 WeakPolarHBondContact O-CB 3.25Å; S307-A311 PolarHBondContact O-N 3.05Å; S307-A311 VanDerWaalsContact O-N 3.16Å; Y308-A311 PolarHBondContact O-N 3.4Å; I309-A311 PolarHBondContact O-N 3.43Å; A311-C313 VanDerWaalsContact C-N 3.33Å; A311-C313 PolarHBondContact O-N 2.84Å; A311-I314 PolarHBondContact O-N 3.32Å; A311-G315 PolarHBondContact O-N 3.49Å; A311-W316 CarbonylContact C-O 3.51Å; A311-W316 CarbonylContact O-C 3.58Å; A311-W316 PolarHBondContact O-N 2.89Å; A311-W316 VanDerWaalsContact O-O 3.13Å; A311-S321 VanDerWaalsContact CB-CB 3.47Å
312D92.7Very high95.7Very high55 Ų5537.6 Ų37.629%0.29420%0.202SC..Hα-helixtrans-62.9-37.7173.4-80.21.2000111.7Y308 I309 I314 G315 G318Y308-D312 VanDerWaalsContact CE1-OD2 3.26Å; Y308-D312 WeakPolarHBondContact CE1-OD2 3.41Å; Y308-D312 VanDerWaalsContact CZ-OD2 3.29Å; Y308-D312 PolarHBondContact O-N 3.25Å; Y308-D312 PolarHBondContact OH-OD2 3.37Å; Y308-D312 VanDerWaalsContact OH-OD2 3.05Å; I309-D312 PolarHBondContact O-N 3.27Å; D312-I314 VanDerWaalsContact C-N 3.28Å; D312-I314 PolarHBondContact O-N 3.18Å; D312-G315 PolarHBondContact O-N 3.07Å; D312-G318 VanDerWaalsContact OD1-CA 3.23Å; D312-G318 WeakPolarHBondContact OD1-CA 3.44Å; D312-G318 PolarHBondContact OD1-N 2.81Å
313C94.4Very high95.7Very high98 Ų9833.6 Ų33.666%0.66218%0.181SC*.Hα-helixtrans-61.6-33.1175.1-71.80000113.2I309 I310 A311 G315I309-C313 PolarHBondContact O-N 3.19Å; I309-C313 PolarHBondContact O-SG 2.71Å; I310-C313 WeakPolarHBondContact O-CB 3.46Å; I310-C313 PolarHBondContact O-N 3.2Å; A311-C313 VanDerWaalsContact C-N 3.33Å; A311-C313 PolarHBondContact O-N 2.84Å; C313-G315 VanDerWaalsContact C-N 3.3Å
314I93.6Very high95.6Very high95 Ų9532.9 Ų32.949%0.48718%0.179SC..Hα-helixtrans-83.1-10.8177.5-67.5163.2000111.4I277 I310 A311 D312 W316I277-I314 HydrophobicContact CD1-CB 4.45Å; I277-I314 HydrophobicContact CD1-CD1 3.57Å; I310-I314 HydrophobicContact CG2-CD1 3.95Å; I310-I314 WeakPolarHBondContact O-CG1 3.41Å; I310-I314 PolarHBondContact O-N 3.24Å; I310-I314 VanDerWaalsContact O-N 3.11Å; A311-I314 PolarHBondContact O-N 3.32Å; D312-I314 VanDerWaalsContact C-N 3.28Å; D312-I314 PolarHBondContact O-N 3.18Å; I314-W316 HydrophobicContact CG2-CD2 3.79Å; I314-W316 HydrophobicContact CG2-CE3 4.09Å; I314-W316 HydrophobicContact CG2-CG 4.12Å; I314-W316 HydrophobicContact CG2-CZ2 4.37Å
315G91Very high95.6Very high52 Ų5232.9 Ų32.954%0.53618%0.179SC..THydrogen-bonded Turntrans8020.3-174.500000113.4A311 D312 C313A311-G315 PolarHBondContact O-N 3.49Å; D312-G315 PolarHBondContact O-N 3.07Å; C313-G315 VanDerWaalsContact C-N 3.3Å
316W94.8Very high95.6Very high79 Ų7929 Ų2930%0.29916%0.164SC..SBendtrans-100.3175170.3-66.6-11.7000110.5G273 I277 A311 I314 G318G273-W316 WeakPolarHBondContact O-CZ3 3.5Å; I277-W316 HydrophobicContact CD1-CD2 4.36Å; I277-W316 HydrophobicContact CD1-CE3 3.34Å; I277-W316 HydrophobicContact CD1-CZ3 3.82Å; I277-W316 HydrophobicContact CG1-CE3 3.81Å; I277-W316 HydrophobicContact CG1-CZ3 3.9Å; A311-W316 CarbonylContact C-O 3.51Å; A311-W316 CarbonylContact O-C 3.58Å; A311-W316 PolarHBondContact O-N 2.89Å; A311-W316 VanDerWaalsContact O-O 3.13Å; I314-W316 HydrophobicContact CG2-CD2 3.79Å; I314-W316 HydrophobicContact CG2-CE3 4.09Å; I314-W316 HydrophobicContact CG2-CG 4.12Å; I314-W316 HydrophobicContact CG2-CZ2 4.37Å; W316-G318 PolarHBondContact O-N 2.93Å; W316-G318 VanDerWaalsContact O-N 3.14Å
317S94.7Very high95.5Very high9 Ų926.6 Ų26.66%0.06315%0.154CC..  trans-75.4107.6-175.7-178.80000111.8V270 I319 I320 S321V270-S317 PolarHBondContact O-N 3.48Å; S317-I319 PolarHBondContact O-N 3.42Å; S317-I320 PolarHBondContact O-N 3.4Å; S317-I320 WeakPolarHBondContact OG-CG1 3.2Å; S317-I320 PolarHBondContact OG-N 3.08Å; S317-S321 WeakPolarHBondContact O-CB 3.22Å; S317-S321 PolarHBondContact O-N 3.17Å
318G95.5Very high95.3Very high0 Ų028.2 Ų28.20%016%0.163CC..Hα-helixtrans-56.2-36.3170.500000113.5Y308 D312 W316 S321 M322Y308-G318 WeakPolarHBondContact CD2-O 3.45Å; Y308-G318 WeakPolarHBondContact O-CA 3.36Å; D312-G318 VanDerWaalsContact OD1-CA 3.23Å; D312-G318 WeakPolarHBondContact OD1-CA 3.44Å; D312-G318 PolarHBondContact OD1-N 2.81Å; W316-G318 PolarHBondContact O-N 2.93Å; W316-G318 VanDerWaalsContact O-N 3.14Å; G318-S321 WeakPolarHBondContact O-CB 3.31Å; G318-S321 PolarHBondContact O-N 3.28Å; G318-M322 PolarHBondContact O-N 3.24Å
319I94.1Very high95.2Very high7 Ų727.9 Ų27.94%0.03616%0.162CC..Hα-helixtrans-67.4-50.7-178.8-63.3172.6000111L133 I137 A237 I240 Y308 S317 S321 M322 I323L133-I319 HydrophobicContact CD2-CD1 3.59Å; L133-I319 HydrophobicContact CD2-CG1 4.13Å; I137-I319 HydrophobicContact CD1-CB 4.06Å; I137-I319 HydrophobicContact CD1-CD1 4.32Å; I137-I319 HydrophobicContact CD1-CG1 3.75Å; I137-I319 HydrophobicContact CD1-CG2 3.56Å; I137-I319 HydrophobicContact CG1-CG2 4.27Å; I137-I319 HydrophobicContact CG2-CG2 4.41Å; A237-I319 HydrophobicContact CB-CB 4.41Å; A237-I319 HydrophobicContact CB-CG2 3.5Å; I240-I319 HydrophobicContact CB-CD1 4.16Å; I240-I319 HydrophobicContact CD1-CD1 3.16Å; I240-I319 HydrophobicContact CG1-CD1 4.22Å; I240-I319 HydrophobicContact CG2-CD1 4.03Å; Y308-I319 HydrophobicContact CD2-CG1 4.48Å; Y308-I319 HydrophobicContact CE2-CG1 3.79Å; S317-I319 PolarHBondContact O-N 3.42Å; I319-S321 PolarHBondContact O-N 2.94Å; I319-M322 PolarHBondContact O-N 3.46Å; I319-M322 VanDerWaalsContact O-N 3.11Å; I319-I323 HydrophobicContact CG2-CD1 4.13Å; I319-I323 WeakPolarHBondContact O-CG1 3.16Å; I319-I323 PolarHBondContact O-N 3.18Å
320I95.6Very high95.1Very high15 Ų1525.9 Ų25.98%0.07715%0.152CC..Hα-helixtrans-65.2-35.6179.2-61.5170.6000110A237 V241 S271 L275 S317 I323 G324A237-I320 HydrophobicContact CB-CD1 4.44Å; A237-I320 HydrophobicContact CB-CG1 3.76Å; V241-I320 HydrophobicContact CG2-CD1 4.27Å; S271-I320 WeakPolarHBondContact O-CG2 3.41Å; L275-I320 HydrophobicContact CB-CG2 3.8Å; L275-I320 HydrophobicContact CD1-CG2 4.48Å; S317-I320 PolarHBondContact O-N 3.4Å; S317-I320 WeakPolarHBondContact OG-CG1 3.2Å; S317-I320 PolarHBondContact OG-N 3.08Å; I320-I323 PolarHBondContact O-N 3.46Å; I320-G324 PolarHBondContact O-N 3.21Å
321S97.7Very high94.6Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-58.1-47.5170.71760000112G274 G278 S307 A311 S317 G318 I319 I323 G324 C325G274-S321 WeakPolarHBondContact O-CA 3.32Å; G274-S321 WeakPolarHBondContact O-CB 3.31Å; G278-S321 WeakPolarHBondContact CA-O 3.31Å; G278-S321 PolarHBondContact N-OG 3.24Å; S307-S321 VanDerWaalsContact C-OG 3.28Å; S307-S321 PolarHBondContact O-OG 3.37Å; S307-S321 PolarHBondContact OG-OG 3.28Å; A311-S321 VanDerWaalsContact CB-CB 3.47Å; S317-S321 WeakPolarHBondContact O-CB 3.22Å; S317-S321 PolarHBondContact O-N 3.17Å; G318-S321 WeakPolarHBondContact O-CB 3.31Å; G318-S321 PolarHBondContact O-N 3.28Å; I319-S321 PolarHBondContact O-N 2.94Å; S321-I323 PolarHBondContact O-N 2.64Å; S321-G324 PolarHBondContact O-N 3.25Å; S321-C325 VanDerWaalsContact O-CB 3.31Å; S321-C325 WeakPolarHBondContact O-CB 3.46Å; S321-C325 PolarHBondContact O-N 3.42Å
322M97Very high94.3Very high1 Ų125.5 Ų25.51%0.00515%0.149CC..Hα-helixtrans-63.7-41.5177.1-171.7169.3-76.100112.7P134 I137 L138 Y305 Y308 G318 I319 C325 G326P134-M322 HydrophobicContact CB-CE 3.63Å; P134-M322 HydrophobicContact CB-SD 3.94Å; I137-M322 HydrophobicContact CB-SD 4.2Å; I137-M322 HydrophobicContact CG2-CB 4.25Å; I137-M322 HydrophobicContact CG2-CG 4.19Å; I137-M322 HydrophobicContact CG2-SD 4.3Å; L138-M322 HydrophobicContact CB-CG 4.39Å; L138-M322 HydrophobicContact CB-SD 3.93Å; L138-M322 HydrophobicContact CD1-CG 4.23Å; Y305-M322 HydrophobicContact CD2-CE 4.33Å; Y308-M322 HydrophobicContact CD2-CB 4.43Å; Y308-M322 HydrophobicContact CD2-CE 4.01Å; Y308-M322 HydrophobicContact CG-CE 3.79Å; G318-M322 PolarHBondContact O-N 3.24Å; I319-M322 PolarHBondContact O-N 3.46Å; I319-M322 VanDerWaalsContact O-N 3.11Å; M322-C325 PolarHBondContact O-N 3.47Å; M322-G326 PolarHBondContact O-N 3.24Å
323I95.5Very high94.1Very high3 Ų322.9 Ų22.92%0.01514%0.135CC..Hα-helixtrans-60.6-48.7175.6-65.1168.3000110.4I137 L233 F234 A237 I319 I320 S321 C325 G326 L327I137-I323 HydrophobicContact CG2-CD1 4.23Å; I137-I323 HydrophobicContact CG2-CG1 3.48Å; I137-I323 VanDerWaalsContact CG2-CG1 3.48Å; L233-I323 HydrophobicContact CD1-CD1 4.32Å; L233-I323 HydrophobicContact CG-CD1 4.13Å; F234-I323 HydrophobicContact CD1-CD1 4.46Å; F234-I323 HydrophobicContact CE1-CG2 3.9Å; F234-I323 HydrophobicContact CZ-CG2 4.09Å; A237-I323 HydrophobicContact CB-CD1 4.14Å; I319-I323 HydrophobicContact CG2-CD1 4.13Å; I319-I323 WeakPolarHBondContact O-CG1 3.16Å; I319-I323 PolarHBondContact O-N 3.18Å; I320-I323 PolarHBondContact O-N 3.46Å; S321-I323 PolarHBondContact O-N 2.64Å; I323-C325 PolarHBondContact O-N 2.87Å; I323-G326 PolarHBondContact O-N 3.42Å; I323-L327 HydrophobicContact CG2-CD1 4.01Å; I323-L327 HydrophobicContact CG2-CG 4.5Å; I323-L327 WeakPolarHBondContact O-CB 3.34Å; I323-L327 WeakPolarHBondContact O-CG 3.35Å; I323-L327 PolarHBondContact O-N 3.3Å
324G95.9Very high93.9Very high6 Ų619.1 Ų19.16%0.06211%0.107CC..Hα-helixtrans-62-42.6178.500000112.6I320 S321 I328I320-G324 PolarHBondContact O-N 3.21Å; S321-G324 PolarHBondContact O-N 3.25Å; G324-I328 WeakPolarHBondContact O-CG1 2.98Å; G324-I328 PolarHBondContact O-N 2.95Å
325C97.6Very high93.5Very high0 Ų017.7 Ų17.70%010%0.099CC..Hα-helixtrans-62.5-49.3175.8-1730000111.1G278 S321 M322 I323 L327 I328 Q329G278-C325 WeakPolarHBondContact O-CA 3.38Å; G278-C325 VanDerWaalsContact O-CB 3.31Å; G278-C325 WeakPolarHBondContact O-CB 3.35Å; G278-C325 PolarHBondContact O-N 3.36Å; S321-C325 VanDerWaalsContact O-CB 3.31Å; S321-C325 WeakPolarHBondContact O-CB 3.46Å; S321-C325 PolarHBondContact O-N 3.42Å; M322-C325 PolarHBondContact O-N 3.47Å; I323-C325 PolarHBondContact O-N 2.87Å; C325-L327 PolarHBondContact O-N 3.26Å; C325-I328 PolarHBondContact O-N 3.32Å; C325-Q329 WeakPolarHBondContact O-CB 3.33Å; C325-Q329 VanDerWaalsContact O-CG 3.24Å; C325-Q329 WeakPolarHBondContact O-CG 3.37Å; C325-Q329 PolarHBondContact O-N 3.03Å; C325-Q329 PolarHBondContact SG-NE2 3.28Å; C325-Q329 VanDerWaalsContact SG-NE2 3.43Å
326G96.6Very high93.4Very high0 Ų015.6 Ų15.60%08%0.075CC..Hα-helixtrans-62.1-40.2-178.800000113.3S141 Y142 M322 I323 Q329 A330S141-G326 WeakPolarHBondContact OG-CA 3.21Å; Y142-G326 WeakPolarHBondContact CD1-O 3.46Å; M322-G326 PolarHBondContact O-N 3.24Å; I323-G326 PolarHBondContact O-N 3.42Å; G326-Q329 PolarHBondContact O-N 3.06Å; G326-A330 WeakPolarHBondContact O-CB 3.44Å; G326-A330 PolarHBondContact O-N 3.46Å
327L94.2Very high93Very high39 Ų3912.5 Ų12.520%0.2046%0.064CC..Hα-helixtrans-62.1-44.9175-77.3173000112.7L144 I323 C325 A331L144-L327 HydrophobicContact CB-CD2 4.03Å; L144-L327 HydrophobicContact CD2-CD1 4.5Å; L144-L327 HydrophobicContact CD2-CD2 4.08Å; L144-L327 HydrophobicContact CG-CD2 4.38Å; I323-L327 HydrophobicContact CG2-CD1 4.01Å; I323-L327 HydrophobicContact CG2-CG 4.5Å; I323-L327 WeakPolarHBondContact O-CB 3.34Å; I323-L327 WeakPolarHBondContact O-CG 3.35Å; I323-L327 PolarHBondContact O-N 3.3Å; C325-L327 PolarHBondContact O-N 3.26Å; L327-A331 VanDerWaalsContact O-CB 3.28Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 2.93Å
328I94.1Very high92.6Very high35 Ų3513.8 Ų13.818%0.1798%0.079CC..Hα-helixtrans-68-40.1177.3-65.6-63.5000111V279 G282 I283 G324 C325 A331 Y332V279-I328 HydrophobicContact CG1-CG1 4.37Å; V279-I328 HydrophobicContact CG2-CG1 4.19Å; G282-I328 VanDerWaalsContact C-CG2 3.48Å; I283-I328 HydrophobicContact CG1-CG2 4.42Å; G324-I328 WeakPolarHBondContact O-CG1 2.98Å; G324-I328 PolarHBondContact O-N 2.95Å; C325-I328 PolarHBondContact O-N 3.32Å; I328-A331 PolarHBondContact O-N 3.4Å; I328-Y332 HydrophobicContact CD1-CE2 4.19Å; I328-Y332 HydrophobicContact CG2-CD2 4.05Å; I328-Y332 WeakPolarHBondContact O-CD2 3.4Å; I328-Y332 PolarHBondContact O-N 3.26Å
329Q95.1Very high92.2Very high0 Ų020.1 Ų20.10%011%0.109CC..Iπ-helixtrans-62.1-46.3176.1-74.6176.7-14.500111.6Y142 T285 I300 C325 G326 A331 Y332 A333 F334Y142-Q329 HydrophobicContact CE1-CB 3.99Å; Y142-Q329 PolarHBondContact OH-OE1 2.86Å; T285-Q329 HydrophobicContact CG2-CG 3.93Å; T285-Q329 PolarHBondContact OG1-NE2 2.69Å; T285-Q329 VanDerWaalsContact OG1-NE2 3.1Å; I300-Q329 PolarHBondContact O-NE2 3.25Å; C325-Q329 WeakPolarHBondContact O-CB 3.33Å; C325-Q329 VanDerWaalsContact O-CG 3.24Å; C325-Q329 WeakPolarHBondContact O-CG 3.37Å; C325-Q329 PolarHBondContact O-N 3.03Å; C325-Q329 PolarHBondContact SG-NE2 3.28Å; C325-Q329 VanDerWaalsContact SG-NE2 3.43Å; G326-Q329 PolarHBondContact O-N 3.06Å; Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.04Å; Q329-Y332 PolarHBondContact O-N 2.78Å; Q329-A333 HydrophobicContact CB-CB 4.2Å; Q329-A333 HydrophobicContact CG-CB 4.41Å; Q329-A333 CarbonylContact O-C 3.48Å; Q329-A333 WeakPolarHBondContact O-CA 3.44Å; Q329-A333 VanDerWaalsContact O-CB 3.31Å; Q329-A333 WeakPolarHBondContact O-CB 3.42Å; Q329-A333 PolarHBondContact O-N 2.89Å; Q329-F334 HydrophobicContact CB-CE1 4.48Å; Q329-F334 VanDerWaalsContact O-CD1 3.31Å; Q329-F334 WeakPolarHBondContact O-CD1 3.44Å; Q329-F334 PolarHBondContact O-N 3.19Å
330A92.7Very high92Very high3 Ų327.5 Ų27.53%0.02514%0.14CC..Iπ-helixtrans-63.3-37175.700000111.9Y142 Y145 G326 F334Y142-A330 HydrophobicContact CD1-CB 4.17Å; Y145-A330 VanDerWaalsContact CB-CB 3.49Å; Y145-A330 HydrophobicContact CD1-CB 4.26Å; Y145-A330 HydrophobicContact CG-CB 3.85Å; G326-A330 WeakPolarHBondContact O-CB 3.44Å; G326-A330 PolarHBondContact O-N 3.46Å; A330-F334 HydrophobicContact CB-CD2 4.16Å; A330-F334 HydrophobicContact CB-CE2 3.88Å; A330-F334 HydrophobicContact CB-CZ 4.13Å
331A88.1Confident91.8Very high7 Ų730.4 Ų30.46%0.05815%0.151CC..Iπ-helixtrans-68.4-40.3178.900000114.2Y145 L327 I328 Q329 H335Y145-A331 HydrophobicContact CD2-CB 3.83Å; Y145-A331 HydrophobicContact CE2-CB 3.31Å; Y145-A331 VanDerWaalsContact CZ-CA 3.45Å; L327-A331 VanDerWaalsContact O-CB 3.28Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 2.93Å; I328-A331 PolarHBondContact O-N 3.4Å; Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.04Å; A331-H335 PolarHBondContact O-CE1 3Å; A331-H335 PolarHBondContact O-ND1 3.25Å
332Y89.3Confident91.6Very high31 Ų3131.7 Ų31.712%0.12216%0.159CC..Iπ-helixtrans-128.1-46.5-169.6-52.7-75000113.6I328 Q329 F334 H335 D527 I531 R532 L535 Q536I328-Y332 HydrophobicContact CD1-CE2 4.19Å; I328-Y332 HydrophobicContact CG2-CD2 4.05Å; I328-Y332 WeakPolarHBondContact O-CD2 3.4Å; I328-Y332 PolarHBondContact O-N 3.26Å; Q329-Y332 PolarHBondContact O-N 2.78Å; Y332-F334 VanDerWaalsContact C-N 3.28Å; Y332-F334 PolarHBondContact O-N 3.21Å; Y332-H335 PolarHBondContact O-N 3.07Å; Y332-H335 VanDerWaalsContact O-N 3.13Å; Y332-D527 VanDerWaalsContact CE1-OD1 3.22Å; Y332-D527 WeakPolarHBondContact CE1-OD1 3.23Å; Y332-D527 PolarHBondContact OH-OD1 2.95Å; Y332-I531 HydrophobicContact CD1-CG2 4.49Å; Y332-I531 HydrophobicContact CE1-CG2 3.78Å; Y332-I531 HydrophobicContact CE2-CG2 4.24Å; Y332-R532 HydrophobicContact CD1-CG 4.48Å; Y332-R532 HydrophobicContact CE1-CG 4.22Å; Y332-L535 HydrophobicContact CD1-CB 4.5Å; Y332-L535 HydrophobicContact CD1-CD1 4.32Å; Y332-L535 HydrophobicContact CD2-CD1 3.77Å; Y332-L535 HydrophobicContact CE2-CD1 4.12Å; Y332-L535 HydrophobicContact CG-CB 4.3Å; Y332-L535 HydrophobicContact CG-CD1 3.89Å; Y332-Q536 HydrophobicContact CD1-CG 4.28Å
333A89.7Confident91.3Very high0 Ų037.9 Ų37.90%019%0.186CC..Iπ-helixtrans-64.2-33-177.300000112.5T285 Q329 H335 N336T285-A333 HydrophobicContact CG2-CB 4.23Å; Q329-A333 HydrophobicContact CB-CB 4.2Å; Q329-A333 HydrophobicContact CG-CB 4.41Å; Q329-A333 CarbonylContact O-C 3.48Å; Q329-A333 WeakPolarHBondContact O-CA 3.44Å; Q329-A333 VanDerWaalsContact O-CB 3.31Å; Q329-A333 WeakPolarHBondContact O-CB 3.42Å; Q329-A333 PolarHBondContact O-N 2.89Å; A333-H335 PolarHBondContact O-N 3.34Å; A333-N336 WeakPolarHBondContact O-CB 3.26Å; A333-N336 PolarHBondContact O-N 3.43Å
334F89.3Confident91.2Very high20 Ų2039.9 Ų39.99%0.08820%0.2CC..Hα-helixtrans-64.2-28.4177.7-73.514.2000112.5Y142 I300 Q329 A330 Y332 N336 I337 V342 L345 H346Y142-F334 HydrophobicContact CD1-CE1 4.2Å; Y142-F334 HydrophobicContact CD1-CE2 4.4Å; Y142-F334 AromaticContact CD1-CZ 3.55Å; Y142-F334 HydrophobicContact CD1-CZ 3.55Å; Y142-F334 AromaticContact CD2-CZ 3.93Å; Y142-F334 HydrophobicContact CD2-CZ 3.93Å; Y142-F334 AromaticContact CE1-CE1 3.96Å; Y142-F334 HydrophobicContact CE1-CE1 3.96Å; Y142-F334 AromaticContact CE1-CZ 3.76Å; Y142-F334 HydrophobicContact CE1-CZ 3.76Å; Y142-F334 HydrophobicContact CE2-CZ 4.13Å; Y142-F334 HydrophobicContact CG-CE2 4.35Å; Y142-F334 AromaticContact CG-CZ 3.64Å; Y142-F334 HydrophobicContact CG-CZ 3.64Å; I300-F334 HydrophobicContact CG2-CE1 4.46Å; Q329-F334 HydrophobicContact CB-CE1 4.48Å; Q329-F334 VanDerWaalsContact O-CD1 3.31Å; Q329-F334 WeakPolarHBondContact O-CD1 3.44Å; Q329-F334 PolarHBondContact O-N 3.19Å; A330-F334 HydrophobicContact CB-CD2 4.16Å; A330-F334 HydrophobicContact CB-CE2 3.88Å; A330-F334 HydrophobicContact CB-CZ 4.13Å; Y332-F334 VanDerWaalsContact C-N 3.28Å; Y332-F334 PolarHBondContact O-N 3.21Å; F334-N336 VanDerWaalsContact C-N 3.32Å; F334-I337 VanDerWaalsContact O-CG1 3.29Å; F334-I337 WeakPolarHBondContact O-CG1 3.21Å; F334-V342 HydrophobicContact CB-CG2 4.36Å; F334-V342 HydrophobicContact CD2-CG1 4.07Å; F334-V342 HydrophobicContact CG-CG1 4.42Å; F334-V342 WeakPolarHBondContact O-CG2 3.3Å; F334-L345 HydrophobicContact CD1-CD2 3.89Å; F334-L345 HydrophobicContact CE1-CD2 3.17Å; F334-L345 HydrophobicContact CE2-CD2 4.43Å; F334-L345 HydrophobicContact CZ-CD2 3.49Å; F334-L345 VanDerWaalsContact CZ-CD2 3.49Å; F334-H346 AromaticContact CE2-CE1 3.71Å; F334-H346 AromaticContact CE2-NE2 3.87Å
335H86.2Confident91.1Very high65 Ų6539.6 Ų39.630%0.30120%0.197SC..Hα-helixtrans-79.3-16.9176.9-59.881.2000112.4A331 Y332 A333 Q536A331-H335 PolarHBondContact O-CE1 3Å; A331-H335 PolarHBondContact O-ND1 3.25Å; Y332-H335 PolarHBondContact O-N 3.07Å; Y332-H335 VanDerWaalsContact O-N 3.13Å; A333-H335 PolarHBondContact O-N 3.34Å; H335-Q536 HydrophobicContact CB-CG 4.45Å
336N87.1Confident90.9Very high8 Ų842.9 Ų42.94%0.04321%0.212CC..Hα-helixtrans-82.4-19.1175.9-69.5-20.6000113C286 T289 A333 F334 L535 Q536 R537C286-N336 PolarHBondContact O-ND2 2.84Å; T289-N336 PolarHBondContact OG1-ND2 3.36Å; A333-N336 WeakPolarHBondContact O-CB 3.26Å; A333-N336 PolarHBondContact O-N 3.43Å; F334-N336 VanDerWaalsContact C-N 3.32Å; N336-L535 PolarHBondContact ND2-O 2.88Å; N336-Q536 WeakPolarHBondContact OD1-CA 3.2Å; N336-R537 PolarHBondContact OD1-N 3.17Å
337I88Confident90.8Very high13 Ų1347.9 Ų47.97%0.06724%0.238CC..SBendtrans-104.3147-178.961.1165.3000110.1T289 I300 F334 V342T289-I337 HydrophobicContact CG2-CG2 4.43Å; I300-I337 HydrophobicContact CD1-CD1 3.78Å; I300-I337 HydrophobicContact CD1-CG2 4.16Å; F334-I337 VanDerWaalsContact O-CG1 3.29Å; F334-I337 WeakPolarHBondContact O-CG1 3.21Å; I337-V342 HydrophobicContact CD1-CB 4.39Å; I337-V342 HydrophobicContact CD1-CG2 3.65Å; I337-V342 HydrophobicContact CG1-CG2 3.56Å
338G86.3Confident90.8Very high37 Ų3749.4 Ų49.438%0.38125%0.246SC..  trans-64.8152.8178.400000112.4K340 Y341 V342G338-K340 PolarHBondContact O-N 3.19Å; G338-K340 VanDerWaalsContact O-N 3.11Å; G338-Y341 WeakPolarHBondContact O-CA 3.27Å; G338-Y341 WeakPolarHBondContact O-CB 3.19Å; G338-Y341 PolarHBondContact O-N 3.33Å; G338-V342 PolarHBondContact O-N 3.24Å; G338-V342 VanDerWaalsContact O-N 3.16Å
339E87Confident90.8Very high132 Ų13247.9 Ų47.962%0.61724%0.239SC*.Hα-helixtrans-54.4-36.4-175-61.9-169165.200114.1Y341 V342 K343E339-Y341 VanDerWaalsContact C-N 3.26Å; E339-Y341 PolarHBondContact O-N 2.96Å; E339-V342 PolarHBondContact O-N 3.45Å; E339-K343 WeakPolarHBondContact O-CG 3.22Å; E339-K343 PolarHBondContact O-N 3.48Å
340K89.7Confident90.7Very high162 Ų16252.6 Ų52.670%0.70426%0.259SS*.Hα-helixtrans-58.2-40175.5-176.5-179.3177.3-177.80111.6G338 S344G338-K340 PolarHBondContact O-N 3.19Å; G338-K340 VanDerWaalsContact O-N 3.11Å; K340-S344 WeakPolarHBondContact O-CB 3.36Å; K340-S344 PolarHBondContact O-N 3.49Å; K340-S344 PolarHBondContact O-OG 3.44Å
341Y91.8Very high90.7Very high76 Ų7656.5 Ų56.530%0.29828%0.278SS..Hα-helixtrans-74-38178.7-62-73.4000111.5H294 V297 G338 E339 S344 L345H294-Y341 PolarHBondContact ND1-OH 3.28Å; V297-Y341 HydrophobicContact CG2-CD1 4Å; V297-Y341 HydrophobicContact CG2-CG 4.36Å; G338-Y341 WeakPolarHBondContact O-CA 3.27Å; G338-Y341 WeakPolarHBondContact O-CB 3.19Å; G338-Y341 PolarHBondContact O-N 3.33Å; E339-Y341 VanDerWaalsContact C-N 3.26Å; E339-Y341 PolarHBondContact O-N 2.96Å; Y341-S344 PolarHBondContact O-N 3.26Å; Y341-L345 WeakPolarHBondContact O-CB 3.37Å; Y341-L345 PolarHBondContact O-N 2.98Å
342V92.3Very high90.9Very high27 Ų2760.1 Ų60.116%0.16430%0.296CS..Hα-helixtrans-60.1-47.7173.4-177.30000110.8F334 I337 G338 E339 S344 L345 H346F334-V342 HydrophobicContact CB-CG2 4.36Å; F334-V342 HydrophobicContact CD2-CG1 4.07Å; F334-V342 HydrophobicContact CG-CG1 4.42Å; F334-V342 WeakPolarHBondContact O-CG2 3.3Å; I337-V342 HydrophobicContact CD1-CB 4.39Å; I337-V342 HydrophobicContact CD1-CG2 3.65Å; I337-V342 HydrophobicContact CG1-CG2 3.56Å; G338-V342 PolarHBondContact O-N 3.24Å; G338-V342 VanDerWaalsContact O-N 3.16Å; E339-V342 PolarHBondContact O-N 3.45Å; V342-S344 VanDerWaalsContact C-N 3.3Å; V342-S344 PolarHBondContact O-N 3.37Å; V342-L345 WeakPolarHBondContact O-CB 3.48Å; V342-L345 PolarHBondContact O-N 3.49Å; V342-H346 PolarHBondContact O-N 3.37Å
343K91.3Very high91.1Very high131 Ų13158.9 Ų58.957%0.5729%0.293SS*.Hα-helixtrans-59.9-41.9176.2-71.7175.2-177.8172.70111.6E339 L347E339-K343 WeakPolarHBondContact O-CG 3.22Å; E339-K343 PolarHBondContact O-N 3.48Å; K343-L347 WeakPolarHBondContact O-CB 3.46Å; K343-L347 PolarHBondContact O-N 2.96Å
344S92.8Very high91Very high46 Ų4662.4 Ų62.432%0.32231%0.309SS..Hα-helixtrans-65-41.8177.1-57.10000111.9K340 Y341 V342 L347 I348K340-S344 WeakPolarHBondContact O-CB 3.36Å; K340-S344 PolarHBondContact O-N 3.49Å; K340-S344 PolarHBondContact O-OG 3.44Å; Y341-S344 PolarHBondContact O-N 3.26Å; V342-S344 VanDerWaalsContact C-N 3.3Å; V342-S344 PolarHBondContact O-N 3.37Å; S344-L347 PolarHBondContact O-N 2.73Å; S344-I348 VanDerWaalsContact O-CG1 3.28Å; S344-I348 WeakPolarHBondContact O-CG1 3.17Å; S344-I348 PolarHBondContact O-N 2.91Å
345L94.1Very high91Very high0 Ų064 Ų640%032%0.321CS..Hα-helixtrans-59.2-53.7176.3176.667.2000110.6Y142 V297 I300 L301 F334 Y341 V342 L347 I348 T349Y142-L345 HydrophobicContact CE2-CD1 4.3Å; Y142-L345 HydrophobicContact CE2-CD2 4.27Å; Y142-L345 HydrophobicContact CE2-CG 4.31Å; V297-L345 HydrophobicContact CG1-CB 4.09Å; V297-L345 HydrophobicContact CG1-CD1 3.88Å; I300-L345 HydrophobicContact CD1-CD2 4.29Å; I300-L345 HydrophobicContact CG2-CD1 4.28Å; I300-L345 HydrophobicContact CG2-CD2 3.97Å; L301-L345 HydrophobicContact CD1-CD1 4.25Å; L301-L345 HydrophobicContact CD2-CD1 3.52Å; L301-L345 HydrophobicContact CG-CD1 3.73Å; F334-L345 HydrophobicContact CD1-CD2 3.89Å; F334-L345 HydrophobicContact CE1-CD2 3.17Å; F334-L345 HydrophobicContact CE2-CD2 4.43Å; F334-L345 HydrophobicContact CZ-CD2 3.49Å; F334-L345 VanDerWaalsContact CZ-CD2 3.49Å; Y341-L345 WeakPolarHBondContact O-CB 3.37Å; Y341-L345 PolarHBondContact O-N 2.98Å; V342-L345 WeakPolarHBondContact O-CB 3.48Å; V342-L345 PolarHBondContact O-N 3.49Å; L345-L347 VanDerWaalsContact C-N 3.28Å; L345-L347 PolarHBondContact O-N 3.38Å; L345-I348 PolarHBondContact O-N 3.3Å; L345-T349 HydrophobicContact CD1-CG2 4.11Å; L345-T349 WeakPolarHBondContact O-CG2 3.23Å; L345-T349 PolarHBondContact O-N 2.84Å; L345-T349 PolarHBondContact O-OG1 3.29Å
346H93.3Very high91.2Very high68 Ų6861.4 Ų61.432%0.31531%0.31SS..Hα-helixtrans-57.8-39.5177.6-85.1-40.9000113F334 V342 T349 K350F334-H346 AromaticContact CE2-CE1 3.71Å; F334-H346 AromaticContact CE2-NE2 3.87Å; V342-H346 PolarHBondContact O-N 3.37Å; H346-T349 WeakPolarHBondContact CA-OG1 3.14Å; H346-T349 PolarHBondContact O-OG1 3.03Å; H346-K350 WeakPolarHBondContact O-CB 3.4Å; H346-K350 PolarHBondContact O-N 2.87Å
347L93.6Very high91.3Very high105 Ų10563.6 Ų63.655%0.5532%0.32SS..Hα-helixtrans-65.2-46.2177.4-17963.5000111.6K343 S344 L345 I351K343-L347 WeakPolarHBondContact O-CB 3.46Å; K343-L347 PolarHBondContact O-N 2.96Å; S344-L347 PolarHBondContact O-N 2.73Å; L345-L347 VanDerWaalsContact C-N 3.28Å; L345-L347 PolarHBondContact O-N 3.38Å; L347-I351 HydrophobicContact CD1-CD1 3.81Å; L347-I351 HydrophobicContact CD1-CG1 4.29Å; L347-I351 HydrophobicContact CG-CD1 3.87Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.31Å; L347-I351 PolarHBondContact O-N 3.4Å
348I94.8Very high91.3Very high72 Ų7263.1 Ų63.137%0.36932%0.318SS..Hα-helixtrans-63.7-48.9-179-71.3166000110.6V297 L301 S344 L345 K350 I351 L352V297-I348 HydrophobicContact CG1-CD1 4.23Å; L301-I348 HydrophobicContact CD1-CG2 4.1Å; S344-I348 VanDerWaalsContact O-CG1 3.28Å; S344-I348 WeakPolarHBondContact O-CG1 3.17Å; S344-I348 PolarHBondContact O-N 2.91Å; L345-I348 PolarHBondContact O-N 3.3Å; I348-K350 VanDerWaalsContact C-N 3.34Å; I348-K350 PolarHBondContact O-N 3.45Å; I348-I351 PolarHBondContact O-N 3.45Å; I348-L352 HydrophobicContact CG2-CD1 3.76Å; I348-L352 HydrophobicContact CG2-CG 4.42Å; I348-L352 WeakPolarHBondContact O-CB 3.33Å; I348-L352 VanDerWaalsContact O-CG 3.3Å; I348-L352 WeakPolarHBondContact O-CG 3.2Å; I348-L352 PolarHBondContact O-N 2.95Å
349T95.1Very high91.5Very high3 Ų361.9 Ų61.92%0.01830%0.303CS..Hα-helixtrans-65.9-38.6-178.250.20000111.7Q139 Y142 L301 L345 H346 L352 A353Q139-T349 PolarHBondContact OE1-OG1 2.91Å; Y142-T349 HydrophobicContact CD2-CG2 4.15Å; Y142-T349 HydrophobicContact CE2-CG2 3.88Å; L301-T349 HydrophobicContact CD2-CG2 3.43Å; L301-T349 VanDerWaalsContact CD2-CG2 3.43Å; L345-T349 HydrophobicContact CD1-CG2 4.11Å; L345-T349 WeakPolarHBondContact O-CG2 3.23Å; L345-T349 PolarHBondContact O-N 2.84Å; L345-T349 PolarHBondContact O-OG1 3.29Å; H346-T349 WeakPolarHBondContact CA-OG1 3.14Å; H346-T349 PolarHBondContact O-OG1 3.03Å; T349-L352 PolarHBondContact O-N 2.91Å; T349-A353 WeakPolarHBondContact O-CB 3.26Å; T349-A353 PolarHBondContact O-N 3.31Å
350K93.4Very high91.6Very high98 Ų9855.9 Ų55.943%0.42628%0.275SS..Hα-helixtrans-59.8-51.3173.1179.7169.6177.7167.10112.1H346 I348 L352 A353 E354H346-K350 WeakPolarHBondContact O-CB 3.4Å; H346-K350 PolarHBondContact O-N 2.87Å; I348-K350 VanDerWaalsContact C-N 3.34Å; I348-K350 PolarHBondContact O-N 3.45Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 3.41Å; K350-A353 PolarHBondContact O-N 3.02Å; K350-E354 WeakPolarHBondContact CE-OE1 3.15Å; K350-E354 HydrophobicContact CG-CG 4.43Å; K350-E354 WeakPolarHBondContact CG-OE1 3.28Å; K350-E354 WeakPolarHBondContact O-CB 3.18Å; K350-E354 WeakPolarHBondContact O-CG 3.35Å; K350-E354 PolarHBondContact O-N 3.01Å
351I92.1Very high91.5Very high85 Ų8548.4 Ų48.444%0.43624%0.242SC..Hα-helixtrans-61.6-43.1179.8-68.4167000110.6L347 I348 E354 V355L347-I351 HydrophobicContact CD1-CD1 3.81Å; L347-I351 HydrophobicContact CD1-CG1 4.29Å; L347-I351 HydrophobicContact CG-CD1 3.87Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.31Å; L347-I351 PolarHBondContact O-N 3.4Å; I348-I351 PolarHBondContact O-N 3.45Å; I351-E354 PolarHBondContact O-N 3.47Å; I351-V355 HydrophobicContact CG2-CG2 4.39Å; I351-V355 WeakPolarHBondContact O-CB 3.4Å; I351-V355 VanDerWaalsContact O-CG2 3.28Å; I351-V355 WeakPolarHBondContact O-CG2 3.5Å; I351-V355 PolarHBondContact O-N 3.31Å
352L92.8Very high91.3Very high83 Ų8345 Ų4544%0.43523%0.229SC..Hα-helixtrans-62.9-44.6178.6-72.9169.8000111.9P135 I348 T349 K350 V355 S356P135-L352 HydrophobicContact CB-CB 3.98Å; I348-L352 HydrophobicContact CG2-CD1 3.76Å; I348-L352 HydrophobicContact CG2-CG 4.42Å; I348-L352 WeakPolarHBondContact O-CB 3.33Å; I348-L352 VanDerWaalsContact O-CG 3.3Å; I348-L352 WeakPolarHBondContact O-CG 3.2Å; I348-L352 PolarHBondContact O-N 2.95Å; T349-L352 PolarHBondContact O-N 2.91Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 3.41Å; L352-V355 PolarHBondContact O-N 3.29Å; L352-S356 WeakPolarHBondContact O-CB 3.34Å; L352-S356 PolarHBondContact O-N 3.06Å; L352-S356 PolarHBondContact O-OG 3.36Å
353A92.6Very high91.1Very high6 Ų644.3 Ų44.35%0.0522%0.224CC..Hα-helixtrans-61.9-47.4175.600000111.7I136 Q139 T349 K350 V355 S356 E357I136-A353 HydrophobicContact CG1-CB 4.44Å; Q139-A353 HydrophobicContact CB-CB 3.71Å; Q139-A353 HydrophobicContact CG-CB 4Å; T349-A353 WeakPolarHBondContact O-CB 3.26Å; T349-A353 PolarHBondContact O-N 3.31Å; K350-A353 PolarHBondContact O-N 3.02Å; A353-V355 VanDerWaalsContact C-N 3.29Å; A353-V355 PolarHBondContact O-N 2.94Å; A353-S356 PolarHBondContact O-N 3.01Å; A353-E357 WeakPolarHBondContact O-CG 3.32Å; A353-E357 PolarHBondContact O-N 2.83Å
354E88.5Confident91Very high74 Ų7438 Ų3835%0.34620%0.197SC..Hα-helixtrans-60.4-36.3178.6-77.6179.5-166.200113K77 K350 I351 A358K77-E354 WeakPolarHBondContact CE-O 3.46Å; K77-E354 PolarHBondContact NZ-O 2.87Å; K350-E354 WeakPolarHBondContact CE-OE1 3.15Å; K350-E354 HydrophobicContact CG-CG 4.43Å; K350-E354 WeakPolarHBondContact CG-OE1 3.28Å; K350-E354 WeakPolarHBondContact O-CB 3.18Å; K350-E354 WeakPolarHBondContact O-CG 3.35Å; K350-E354 PolarHBondContact O-N 3.01Å; I351-E354 PolarHBondContact O-N 3.47Å; E354-A358 WeakPolarHBondContact O-CB 3.31Å; E354-A358 PolarHBondContact O-N 2.86Å
355V89.3Confident90.8Very high53 Ų5335.9 Ų35.932%0.32118%0.181SC..Hα-helixtrans-71.8-46.9174.8170.80000110.4L70 I351 L352 A353 E357 A358 V359L70-V355 HydrophobicContact CD2-CG1 4.31Å; I351-V355 HydrophobicContact CG2-CG2 4.39Å; I351-V355 WeakPolarHBondContact O-CB 3.4Å; I351-V355 VanDerWaalsContact O-CG2 3.28Å; I351-V355 WeakPolarHBondContact O-CG2 3.5Å; I351-V355 PolarHBondContact O-N 3.31Å; L352-V355 PolarHBondContact O-N 3.29Å; A353-V355 VanDerWaalsContact C-N 3.29Å; A353-V355 PolarHBondContact O-N 2.94Å; V355-E357 PolarHBondContact O-N 3.17Å; V355-A358 PolarHBondContact O-N 3.27Å; V355-V359 HydrophobicContact CG1-CG2 4.32Å; V355-V359 VanDerWaalsContact O-CG2 3.27Å; V355-V359 WeakPolarHBondContact O-CG2 3.43Å; V355-V359 PolarHBondContact O-N 3.37Å
356S90.5Very high90.5Very high10 Ų1036 Ų367%0.0718%0.182CC..Hα-helixtrans-58.2-47.5178.4-73.80000112L132 L352 A353 A358 V359 I360L132-S356 VanDerWaalsContact O-CB 3.24Å; L132-S356 WeakPolarHBondContact O-CB 3.28Å; L132-S356 PolarHBondContact O-OG 3.22Å; L352-S356 WeakPolarHBondContact O-CB 3.34Å; L352-S356 PolarHBondContact O-N 3.06Å; L352-S356 PolarHBondContact O-OG 3.36Å; A353-S356 PolarHBondContact O-N 3.01Å; S356-A358 VanDerWaalsContact C-N 3.32Å; S356-A358 PolarHBondContact O-N 3.15Å; S356-V359 PolarHBondContact O-N 2.96Å; S356-I360 VanDerWaalsContact O-CG1 3.25Å; S356-I360 WeakPolarHBondContact O-CG1 3.29Å; S356-I360 PolarHBondContact O-N 3.36Å
357E88.7Confident90.1Very high55 Ų5533.5 Ų33.526%0.25717%0.171SC..Hα-helixtrans-58.7-44.2175.9-75.7178.1-171.100111.8I136 A353 V355 V359 I360 F361I136-E357 HydrophobicContact CD1-CG 3.7Å; I136-E357 HydrophobicContact CG1-CG 4.01Å; I136-E357 HydrophobicContact CG2-CG 4.45Å; A353-E357 WeakPolarHBondContact O-CG 3.32Å; A353-E357 PolarHBondContact O-N 2.83Å; V355-E357 PolarHBondContact O-N 3.17Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 3.03Å; E357-I360 PolarHBondContact O-N 3.47Å; E357-F361 HydrophobicContact CB-CE2 4.45Å; E357-F361 VanDerWaalsContact O-CD2 3.22Å; E357-F361 WeakPolarHBondContact O-CD2 3.4Å; E357-F361 PolarHBondContact O-N 3.41Å
358A88.6Confident89.8Confident3 Ų329.8 Ų29.83%0.02515%0.152CC..Hα-helixtrans-65.1-39.3-179.500000112.6L73 L96 E354 V355 S356 I360 L362L73-A358 HydrophobicContact CD2-CB 4.24Å; L96-A358 HydrophobicContact CD1-CB 3.81Å; L96-A358 HydrophobicContact CD2-CB 4.41Å; E354-A358 WeakPolarHBondContact O-CB 3.31Å; E354-A358 PolarHBondContact O-N 2.86Å; V355-A358 PolarHBondContact O-N 3.27Å; S356-A358 VanDerWaalsContact C-N 3.32Å; S356-A358 PolarHBondContact O-N 3.15Å; A358-I360 VanDerWaalsContact C-N 3.34Å; A358-L362 WeakPolarHBondContact O-CB 3.36Å; A358-L362 PolarHBondContact O-N 3.13Å
359V88.7Confident89.3Confident11 Ų1128.2 Ų28.27%0.06714%0.144CC..Hα-helixtrans-60.6-45173.11700000110.5F69 L70 L73 L132 V355 S356 E357 L362 F363F69-V359 HydrophobicContact CE1-CG1 4.16Å; F69-V359 HydrophobicContact CE1-CG2 4.15Å; L70-V359 HydrophobicContact CD2-CG2 3.93Å; L73-V359 HydrophobicContact CD1-CB 4.46Å; L73-V359 HydrophobicContact CD1-CG2 3.54Å; L132-V359 HydrophobicContact CD1-CG1 3.93Å; L132-V359 HydrophobicContact CD2-CB 4.09Å; L132-V359 HydrophobicContact CD2-CG1 3.75Å; V355-V359 HydrophobicContact CG1-CG2 4.32Å; V355-V359 VanDerWaalsContact O-CG2 3.27Å; V355-V359 WeakPolarHBondContact O-CG2 3.43Å; V355-V359 PolarHBondContact O-N 3.37Å; S356-V359 PolarHBondContact O-N 2.96Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 3.03Å; V359-L362 PolarHBondContact O-N 2.98Å; V359-F363 HydrophobicContact CG1-CD2 3.51Å; V359-F363 HydrophobicContact CG1-CE2 3.46Å; V359-F363 VanDerWaalsContact CG1-CE2 3.46Å; V359-F363 WeakPolarHBondContact O-CB 3.43Å; V359-F363 VanDerWaalsContact O-CD2 3.24Å; V359-F363 WeakPolarHBondContact O-CD2 3.49Å; V359-F363 PolarHBondContact O-N 2.82Å
360I89.2Confident88.6Confident5 Ų529.7 Ų29.73%0.02616%0.155CC..Hα-helixtrans-61.5-50.7179.3-66.2165.3000111.5F128 L132 I136 S356 E357 A358 L362 F363 L364 A428F128-I360 HydrophobicContact CD2-CD1 4.31Å; F128-I360 HydrophobicContact CD2-CG1 4.48Å; F128-I360 HydrophobicContact CE2-CD1 4.02Å; L132-I360 HydrophobicContact CB-CD1 4.11Å; L132-I360 HydrophobicContact CB-CG1 4.13Å; L132-I360 HydrophobicContact CD1-CG1 3.69Å; L132-I360 HydrophobicContact CG-CG1 4.48Å; I136-I360 HydrophobicContact CD1-CD1 3.54Å; S356-I360 VanDerWaalsContact O-CG1 3.25Å; S356-I360 WeakPolarHBondContact O-CG1 3.29Å; S356-I360 PolarHBondContact O-N 3.36Å; E357-I360 PolarHBondContact O-N 3.47Å; A358-I360 VanDerWaalsContact C-N 3.34Å; I360-L362 VanDerWaalsContact C-N 3.31Å; I360-L362 PolarHBondContact O-N 3.18Å; I360-F363 PolarHBondContact O-N 3.04Å; I360-L364 PolarHBondContact O-N 3.1Å; I360-A428 HydrophobicContact CB-CB 4.47Å; I360-A428 HydrophobicContact CD1-CB 4.38Å; I360-A428 HydrophobicContact CG2-CB 3.36Å
361F88.5Confident87.9Confident5 Ų526.9 Ų26.92%0.02214%0.142CC..Hα-helixtrans-64.5-36-179.2-73.4-55.4000112.6S93 L96 I97 E357 L364 G365S93-F361 WeakPolarHBondContact OG-CE2 3.18Å; L96-F361 HydrophobicContact CB-CB 3.93Å; L96-F361 HydrophobicContact CD1-CB 4.41Å; I97-F361 HydrophobicContact CD1-CD1 4.08Å; I97-F361 HydrophobicContact CG1-CB 4.15Å; I97-F361 HydrophobicContact CG1-CD1 4.25Å; I97-F361 WeakPolarHBondContact CG1-O 3.17Å; E357-F361 HydrophobicContact CB-CE2 4.45Å; E357-F361 VanDerWaalsContact O-CD2 3.22Å; E357-F361 WeakPolarHBondContact O-CD2 3.4Å; E357-F361 PolarHBondContact O-N 3.41Å; F361-L364 WeakPolarHBondContact O-CB 3.42Å; F361-L364 PolarHBondContact O-N 3.44Å; F361-G365 PolarHBondContact O-N 3.42Å; F361-G365 VanDerWaalsContact O-N 3.13Å
362L88.1Confident87.5Confident5 Ų529.7 Ų29.73%0.02615%0.151CC..Hα-helixtrans-66.5-46.1174.7-162.5164.5000110.8F69 L73 A358 V359 I360 L364 G365 I366F69-L362 HydrophobicContact CE2-CD1 3.64Å; F69-L362 HydrophobicContact CE2-CD2 3.39Å; F69-L362 HydrophobicContact CE2-CG 4.08Å; F69-L362 HydrophobicContact CZ-CB 4.25Å; F69-L362 HydrophobicContact CZ-CD1 3.85Å; F69-L362 HydrophobicContact CZ-CD2 3.63Å; F69-L362 HydrophobicContact CZ-CG 4.1Å; L73-L362 HydrophobicContact CD1-CD1 4.43Å; L73-L362 HydrophobicContact CD2-CB 4.23Å; L73-L362 HydrophobicContact CD2-CD1 3.34Å; L73-L362 HydrophobicContact CD2-CG 4.39Å; L73-L362 HydrophobicContact CG-CD1 3.8Å; A358-L362 WeakPolarHBondContact O-CB 3.36Å; A358-L362 PolarHBondContact O-N 3.13Å; V359-L362 PolarHBondContact O-N 2.98Å; I360-L362 VanDerWaalsContact C-N 3.31Å; I360-L362 PolarHBondContact O-N 3.18Å; L362-L364 VanDerWaalsContact C-N 3.28Å; L362-L364 PolarHBondContact O-N 2.75Å; L362-G365 WeakPolarHBondContact O-CA 3.23Å; L362-G365 PolarHBondContact O-N 3.48Å; L362-I366 HydrophobicContact CD2-CD1 3.29Å; L362-I366 HydrophobicContact CD2-CG1 3.74Å; L362-I366 PolarHBondContact O-N 3.24Å
363F87Confident87.1Confident12 Ų1229.5 Ų29.55%0.05315%0.15CC..Hα-helixtrans-59.2-39.7174.8-87.8-59.3000112.4F69 W121 F123 L127 V359 I360 G365 I366 Q367F69-F363 HydrophobicContact CE1-CE2 4.31Å; F69-F363 HydrophobicContact CZ-CE2 4.5Å; W121-F363 HydrophobicContact CB-CE1 4.48Å; W121-F363 HydrophobicContact CE3-CE1 4.19Å; W121-F363 HydrophobicContact CE3-CZ 4.4Å; F123-F363 HydrophobicContact CB-CB 4.44Å; F123-F363 HydrophobicContact CB-CD1 4.35Å; F123-F363 HydrophobicContact CB-CG 4.43Å; F123-F363 HydrophobicContact CD2-CB 3.74Å; F123-F363 HydrophobicContact CD2-CD2 4.01Å; F123-F363 AromaticContact CD2-CG 3.88Å; F123-F363 HydrophobicContact CD2-CG 3.88Å; F123-F363 HydrophobicContact CE2-CB 4.42Å; F123-F363 HydrophobicContact CG-CB 4.43Å; L127-F363 HydrophobicContact CD2-CE2 4.33Å; V359-F363 HydrophobicContact CG1-CD2 3.51Å; V359-F363 HydrophobicContact CG1-CE2 3.46Å; V359-F363 VanDerWaalsContact CG1-CE2 3.46Å; V359-F363 WeakPolarHBondContact O-CB 3.43Å; V359-F363 VanDerWaalsContact O-CD2 3.24Å; V359-F363 WeakPolarHBondContact O-CD2 3.49Å; V359-F363 PolarHBondContact O-N 2.82Å; I360-F363 PolarHBondContact O-N 3.04Å; F363-G365 VanDerWaalsContact C-N 3.27Å; F363-G365 PolarHBondContact O-N 3.46Å; F363-I366 HydrophobicContact CD1-CD1 4.32Å; F363-I366 PolarHBondContact O-N 3.17Å; F363-Q367 WeakPolarHBondContact O-CB 3.41Å; F363-Q367 WeakPolarHBondContact O-CG 3.4Å; F363-Q367 PolarHBondContact O-N 2.94Å
364L89.1Confident86.9Confident0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-55.7-45.9173.3-168.9156000110.5I97 I360 F361 L362 Q367 V368 F431 I461I97-L364 HydrophobicContact CD1-CD2 4.18Å; I97-L364 HydrophobicContact CG1-CD2 4.15Å; I97-L364 HydrophobicContact CG2-CD2 4.12Å; I360-L364 PolarHBondContact O-N 3.1Å; F361-L364 WeakPolarHBondContact O-CB 3.42Å; F361-L364 PolarHBondContact O-N 3.44Å; L362-L364 VanDerWaalsContact C-N 3.28Å; L362-L364 PolarHBondContact O-N 2.75Å; L364-Q367 PolarHBondContact O-N 3.38Å; L364-V368 WeakPolarHBondContact O-CG2 3.38Å; L364-V368 PolarHBondContact O-N 2.96Å; L364-F431 HydrophobicContact CD1-CB 4.31Å; L364-F431 HydrophobicContact CD1-CG 4.41Å; L364-I461 HydrophobicContact CD1-CB 4.43Å; L364-I461 HydrophobicContact CD1-CD1 4.19Å; L364-I461 HydrophobicContact CD1-CG2 3.65Å
365G89.3Confident86.9Confident0 Ų034.8 Ų34.80%017%0.167CC..Hα-helixtrans-60.8-43.6175.200000114.2I97 G100 I101 F361 L362 F363 Q367 V368I97-G365 WeakPolarHBondContact O-CA 3.32Å; G100-G365 VanDerWaalsContact C-C 3.44Å; I101-G365 WeakPolarHBondContact CA-O 3.06Å; I101-G365 WeakPolarHBondContact CG1-O 3.48Å; F361-G365 PolarHBondContact O-N 3.42Å; F361-G365 VanDerWaalsContact O-N 3.13Å; L362-G365 WeakPolarHBondContact O-CA 3.23Å; L362-G365 PolarHBondContact O-N 3.48Å; F363-G365 VanDerWaalsContact C-N 3.27Å; F363-G365 PolarHBondContact O-N 3.46Å; G365-Q367 VanDerWaalsContact C-N 3.28Å; G365-Q367 PolarHBondContact O-N 2.93Å; G365-V368 WeakPolarHBondContact O-CB 3.39Å; G365-V368 WeakPolarHBondContact O-CG2 2.83Å; G365-V368 PolarHBondContact O-N 2.98Å
366I86.8Confident86.9Confident4 Ų432.4 Ų32.42%0.02115%0.153CC..Hα-helixtrans-61.7-39.6176.5-69.3170.7000111F69 G100 F103 L362 F363 V368 I369 S370F69-I366 HydrophobicContact CE2-CD1 4.46Å; G100-I366 WeakPolarHBondContact O-CG1 3.37Å; F103-I366 HydrophobicContact CD1-CD1 3.75Å; F103-I366 HydrophobicContact CD1-CG1 3.97Å; F103-I366 HydrophobicContact CE1-CD1 4.07Å; L362-I366 HydrophobicContact CD2-CD1 3.29Å; L362-I366 HydrophobicContact CD2-CG1 3.74Å; L362-I366 PolarHBondContact O-N 3.24Å; F363-I366 HydrophobicContact CD1-CD1 4.32Å; F363-I366 PolarHBondContact O-N 3.17Å; I366-V368 VanDerWaalsContact C-N 3.29Å; I366-V368 PolarHBondContact O-N 3.38Å; I366-I369 PolarHBondContact O-N 2.95Å; I366-S370 WeakPolarHBondContact CG2-OG 3.25Å; I366-S370 WeakPolarHBondContact O-CB 3.48Å; I366-S370 PolarHBondContact O-N 2.9Å; I366-S370 PolarHBondContact O-OG 3.47Å
367Q85.3Confident87Confident15 Ų1535.5 Ų35.57%0.0717%0.171CC..Hα-helixtrans-70-24.5-177-69.7-72.410.900113F123 F363 L364 G365 I369 Y371 F431F123-Q367 HydrophobicContact CB-CG 4.38Å; F363-Q367 WeakPolarHBondContact O-CB 3.41Å; F363-Q367 WeakPolarHBondContact O-CG 3.4Å; F363-Q367 PolarHBondContact O-N 2.94Å; L364-Q367 PolarHBondContact O-N 3.38Å; G365-Q367 VanDerWaalsContact C-N 3.28Å; G365-Q367 PolarHBondContact O-N 2.93Å; Q367-I369 PolarHBondContact O-N 3.38Å; Q367-I369 VanDerWaalsContact O-N 3.14Å; Q367-Y371 WeakPolarHBondContact O-CB 3.35Å; Q367-Y371 PolarHBondContact O-N 3.4Å; Q367-F431 HydrophobicContact CB-CE1 4.36Å; Q367-F431 HydrophobicContact CB-CE2 4.34Å; Q367-F431 HydrophobicContact CB-CZ 3.59Å; Q367-F431 HydrophobicContact CG-CE1 4.13Å; Q367-F431 HydrophobicContact CG-CZ 3.72Å
368V87.2Confident87.2Confident27 Ų2733.5 Ų33.516%0.16417%0.165CC..Hα-helixtrans-53.6-34.9171.7-173.80000111.5I101 L364 G365 I366 L373 L458I101-V368 HydrophobicContact CD1-CG2 4.08Å; I101-V368 HydrophobicContact CG1-CB 4.1Å; I101-V368 HydrophobicContact CG1-CG2 3.87Å; L364-V368 WeakPolarHBondContact O-CG2 3.38Å; L364-V368 PolarHBondContact O-N 2.96Å; G365-V368 WeakPolarHBondContact O-CB 3.39Å; G365-V368 WeakPolarHBondContact O-CG2 2.83Å; G365-V368 PolarHBondContact O-N 2.98Å; I366-V368 VanDerWaalsContact C-N 3.29Å; I366-V368 PolarHBondContact O-N 3.38Å; V368-L373 WeakPolarHBondContact O-CD1 3.42Å; V368-L458 HydrophobicContact CB-CD1 4.33Å; V368-L458 HydrophobicContact CB-CD2 4.38Å; V368-L458 HydrophobicContact CG1-CD2 4.15Å; V368-L458 HydrophobicContact CG2-CD1 3.87Å; V368-L458 HydrophobicContact CG2-CD2 3.89Å; V368-L458 HydrophobicContact CG2-CG 4.21Å
369I85.5Confident87.4Confident39 Ų3933.4 Ų33.420%0.216%0.164CC..Hα-helixtrans-102.1-37.7-175.1-64157.5000111.5I101 S105 F108 I366 Q367I101-I369 HydrophobicContact CB-CD1 4.23Å; I101-I369 HydrophobicContact CG2-CD1 3.71Å; I101-I369 HydrophobicContact CG2-CG1 4.44Å; I101-I369 WeakPolarHBondContact O-CD1 3.38Å; S105-I369 VanDerWaalsContact N-CD1 3.28Å; S105-I369 WeakPolarHBondContact OG-CD1 3.34Å; F108-I369 HydrophobicContact CB-CG2 3.89Å; F108-I369 HydrophobicContact CD2-CG2 4.42Å; F108-I369 HydrophobicContact CG-CG2 4.08Å; I366-I369 PolarHBondContact O-N 2.95Å; Q367-I369 PolarHBondContact O-N 3.38Å; Q367-I369 VanDerWaalsContact O-N 3.14Å
370S79.5Confident87.7Confident34 Ų3432.9 Ų32.924%0.23816%0.161CC..Hα-helixtrans-74.6-31.3-174.9-54.40000112.1I366I366-S370 WeakPolarHBondContact CG2-OG 3.25Å; I366-S370 WeakPolarHBondContact O-CB 3.48Å; I366-S370 PolarHBondContact O-N 2.9Å; I366-S370 PolarHBondContact O-OG 3.47Å
371Y78.7Confident87.9Confident39 Ų3936.7 Ų36.715%0.15318%0.18CC..SBendtrans-81.7138.3-176.4-155.4-87.3000110.8Q367 L373 N451 V454Q367-Y371 WeakPolarHBondContact O-CB 3.35Å; Q367-Y371 PolarHBondContact O-N 3.4Å; Y371-L373 PolarHBondContact O-N 3.4Å; Y371-N451 HydrophobicContact CE1-CB 4.04Å; Y371-N451 WeakPolarHBondContact CE1-OD1 3.39Å; Y371-N451 VanDerWaalsContact CZ-OD1 3.28Å; Y371-N451 PolarHBondContact OH-OD1 2.92Å; Y371-V454 HydrophobicContact CD1-CB 4.41Å; Y371-V454 HydrophobicContact CD1-CG1 3.88Å; Y371-V454 HydrophobicContact CD2-CG1 4.28Å; Y371-V454 HydrophobicContact CE1-CB 3.87Å; Y371-V454 HydrophobicContact CE1-CG1 3.76Å; Y371-V454 HydrophobicContact CE1-CG2 4.33Å; Y371-V454 HydrophobicContact CE2-CG1 4.16Å; Y371-V454 HydrophobicContact CG-CG1 4.15Å
372K82.8Confident88.2Confident144 Ų14441 Ų4163%0.62620%0.196SC*.  trans-71.794.4175.3-170.1-170.6-178.7-140.80109.8E374 N451K372-E374 WeakPolarHBondContact CE-OE1 3.42Å; K372-E374 IonicContact NZ-OE1 2.75Å; K372-E374 PolarHBondContact NZ-OE1 3.27Å; K372-E374 PolarHBondContact O-N 3.35Å; K372-N451 PolarHBondContact O-ND2 3.49Å
373L85.3Confident88.6Confident78 Ų7840.8 Ų40.841%0.40820%0.196SC..  trans-72.1115.5-177.5-57.5-179.7000111.2V368 Y371 T455V368-L373 WeakPolarHBondContact O-CD1 3.42Å; Y371-L373 PolarHBondContact O-N 3.4Å; L373-T455 HydrophobicContact CB-CG2 3.6Å; L373-T455 HydrophobicContact CD2-CG2 3.58Å; L373-T455 HydrophobicContact CG-CG2 4.16Å
374E88Confident89Confident42 Ų4241.4 Ų41.420%0.19620%0.199CC..  trans-97119.1168.7-64.2-68.9167.700109.2K372 Y448 N451 I452 T455K372-E374 WeakPolarHBondContact CE-OE1 3.42Å; K372-E374 IonicContact NZ-OE1 2.75Å; K372-E374 PolarHBondContact NZ-OE1 3.27Å; K372-E374 PolarHBondContact O-N 3.35Å; E374-Y448 HydrophobicContact CB-CD2 4.24Å; E374-Y448 HydrophobicContact CB-CE2 4.12Å; E374-Y448 HydrophobicContact CG-CD2 3.86Å; E374-Y448 HydrophobicContact CG-CE2 4.15Å; E374-N451 HydrophobicContact CB-CB 4Å; E374-N451 HydrophobicContact CG-CB 3.65Å; E374-I452 HydrophobicContact CB-CG1 3.99Å; E374-T455 WeakPolarHBondContact O-CB 3.39Å; E374-T455 VanDerWaalsContact O-CG2 3.25Å; E374-T455 WeakPolarHBondContact O-CG2 3.39Å; E374-T455 PolarHBondContact O-OG1 3.35Å
375W88.7Confident89.3Confident150 Ų15044.9 Ų44.957%0.56822%0.217SC*.  trans-95.6121.9-173-172.3-88.3000112T377 I380 F459W375-T377 PolarHBondContact NE1-OG1 2.92Å; W375-I380 HydrophobicContact CD2-CD1 3.74Å; W375-I380 HydrophobicContact CE3-CD1 3.74Å; W375-I380 HydrophobicContact CG-CD1 4.38Å; W375-I380 HydrophobicContact CH2-CD1 4Å; W375-I380 HydrophobicContact CZ2-CD1 4Å; W375-I380 HydrophobicContact CZ3-CD1 3.87Å; W375-F459 AromaticContact CH2-CD2 3.9Å; W375-F459 HydrophobicContact CH2-CD2 3.9Å; W375-F459 AromaticContact CH2-CE2 3.93Å; W375-F459 HydrophobicContact CH2-CE2 3.93Å; W375-F459 HydrophobicContact CZ3-CD2 4.17Å
376H90.5Very high89.6Confident3 Ų345.3 Ų45.31%0.01422%0.219CC..  trans-129.694.5173.6-172.7-73.2000110.9F184 P187 G378 F379 I380 I452F184-H376 PolarHBondContact O-CE1 2.85Å; P187-H376 PolarHBondContact O-NE2 3.26Å; H376-G378 PolarHBondContact O-N 3.34Å; H376-F379 HydrophobicContact CB-CB 4.33Å; H376-F379 VanDerWaalsContact ND1-CB 3.27Å; H376-F379 WeakPolarHBondContact ND1-CB 3.17Å; H376-F379 PolarHBondContact ND1-N 2.7Å; H376-F379 VanDerWaalsContact ND1-N 3.11Å; H376-F379 PolarHBondContact O-N 3.13Å; H376-I380 WeakPolarHBondContact O-CG1 3.45Å; H376-I380 PolarHBondContact O-N 3.27Å; H376-I380 VanDerWaalsContact O-N 3.14Å; H376-I452 HydrophobicContact CB-CD1 4.2Å; H376-I452 HydrophobicContact CB-CG1 4.36Å; H376-I452 HydrophobicContact CB-CG2 4.17Å
377T91.9Very high90Very high75 Ų7545.2 Ų45.246%0.4622%0.219SC..Hα-helixtrans-51.4-48-170.3-530000113.6W375 F379 I380 I381W375-T377 PolarHBondContact NE1-OG1 2.92Å; T377-F379 VanDerWaalsContact C-N 3.33Å; T377-F379 PolarHBondContact O-N 2.88Å; T377-I380 PolarHBondContact O-N 2.87Å; T377-I381 HydrophobicContact CG2-CD1 3.6Å; T377-I381 HydrophobicContact CG2-CG1 4.39Å; T377-I381 WeakPolarHBondContact O-CB 3.31Å; T377-I381 WeakPolarHBondContact O-CG1 3.47Å; T377-I381 PolarHBondContact O-N 3.44Å
378G92Very high90.5Very high12 Ų1247 Ų4712%0.12423%0.229CC..Hα-helixtrans-65.9-36.2-177.600000113F184 H376 W382F184-G378 WeakPolarHBondContact CD1-O 3.28Å; F184-G378 WeakPolarHBondContact O-CA 3.44Å; H376-G378 PolarHBondContact O-N 3.34Å; G378-W382 VanDerWaalsContact O-CB 3.28Å; G378-W382 WeakPolarHBondContact O-CB 3.36Å; G378-W382 PolarHBondContact O-N 2.95Å
379F93.2Very high90.9Very high1 Ų149.6 Ų49.60%0.00424%0.242CC..Hα-helixtrans-73.4-38.6-176.3-173-86.9000110.3M175 F184 L189 M191 F196 F199 H376 T377 G383 I452 T456M175-F379 HydrophobicContact CE-CD1 4.4Å; M175-F379 HydrophobicContact CE-CD2 3.61Å; M175-F379 HydrophobicContact CE-CE1 4.12Å; M175-F379 HydrophobicContact CE-CE2 3.27Å; M175-F379 HydrophobicContact CE-CG 4.18Å; M175-F379 HydrophobicContact CE-CZ 3.56Å; F184-F379 HydrophobicContact CD1-CB 4.17Å; F184-F379 HydrophobicContact CE1-CB 4.24Å; F184-F379 HydrophobicContact CE1-CD2 4.06Å; F184-F379 HydrophobicContact CE1-CG 4.47Å; F184-F379 HydrophobicContact CZ-CD2 4.22Å; L189-F379 HydrophobicContact CD1-CB 4.06Å; L189-F379 HydrophobicContact CD1-CD2 3.79Å; L189-F379 HydrophobicContact CD1-CG 4.22Å; M191-F379 HydrophobicContact SD-CE2 4.4Å; F196-F379 HydrophobicContact CD1-CE2 4.09Å; F196-F379 HydrophobicContact CE1-CD2 4.26Å; F196-F379 AromaticContact CE1-CE2 3.81Å; F196-F379 HydrophobicContact CE1-CE2 3.81Å; F199-F379 HydrophobicContact CB-CZ 4.33Å; F199-F379 HydrophobicContact CD1-CE1 4.32Å; F199-F379 AromaticContact CD1-CZ 3.88Å; F199-F379 HydrophobicContact CD1-CZ 3.88Å; F199-F379 AromaticContact CD2-CE1 3.9Å; F199-F379 HydrophobicContact CD2-CE1 3.9Å; F199-F379 AromaticContact CD2-CZ 3.89Å; F199-F379 HydrophobicContact CD2-CZ 3.89Å; F199-F379 HydrophobicContact CE1-CE1 4.2Å; F199-F379 HydrophobicContact CE1-CZ 4.17Å; F199-F379 AromaticContact CE2-CE1 3.75Å; F199-F379 HydrophobicContact CE2-CE1 3.75Å; F199-F379 HydrophobicContact CE2-CZ 4.17Å; F199-F379 HydrophobicContact CG-CE1 4.18Å; F199-F379 AromaticContact CG-CZ 3.74Å; F199-F379 HydrophobicContact CG-CZ 3.74Å; F199-F379 AromaticContact CZ-CE1 3.92Å; F199-F379 HydrophobicContact CZ-CE1 3.92Å; F199-F379 HydrophobicContact CZ-CZ 4.3Å; H376-F379 HydrophobicContact CB-CB 4.33Å; H376-F379 VanDerWaalsContact ND1-CB 3.27Å; H376-F379 WeakPolarHBondContact ND1-CB 3.17Å; H376-F379 PolarHBondContact ND1-N 2.7Å; H376-F379 VanDerWaalsContact ND1-N 3.11Å; H376-F379 PolarHBondContact O-N 3.13Å; T377-F379 VanDerWaalsContact C-N 3.33Å; T377-F379 PolarHBondContact O-N 2.88Å; F379-G383 WeakPolarHBondContact O-CA 3.18Å; F379-G383 PolarHBondContact O-N 2.76Å; F379-I452 HydrophobicContact CD1-CG2 3.89Å; F379-I452 HydrophobicContact CE1-CG2 4.28Å; F379-I452 HydrophobicContact CG-CG2 4.23Å; F379-T456 HydrophobicContact CD1-CG2 3.75Å; F379-T456 VanDerWaalsContact CD1-OG1 3.24Å; F379-T456 WeakPolarHBondContact CD1-OG1 3.34Å; F379-T456 HydrophobicContact CE1-CG2 3.83Å
380I94.7Very high91.3Very high1 Ų148 Ų481%0.00523%0.234CC..Hα-helixtrans-65.1-52175.6-63.2169.9000111.4W375 H376 T377 G383 L384 T456 F459W375-I380 HydrophobicContact CD2-CD1 3.74Å; W375-I380 HydrophobicContact CE3-CD1 3.74Å; W375-I380 HydrophobicContact CG-CD1 4.38Å; W375-I380 HydrophobicContact CH2-CD1 4Å; W375-I380 HydrophobicContact CZ2-CD1 4Å; W375-I380 HydrophobicContact CZ3-CD1 3.87Å; H376-I380 WeakPolarHBondContact O-CG1 3.45Å; H376-I380 PolarHBondContact O-N 3.27Å; H376-I380 VanDerWaalsContact O-N 3.14Å; T377-I380 PolarHBondContact O-N 2.87Å; I380-G383 PolarHBondContact O-N 3.39Å; I380-L384 WeakPolarHBondContact O-CB 3.38Å; I380-L384 PolarHBondContact O-N 3.44Å; I380-T456 HydrophobicContact CG1-CG2 4.22Å; I380-T456 WeakPolarHBondContact CG1-OG1 3.34Å; I380-F459 HydrophobicContact CG2-CB 4.1Å; I380-F459 HydrophobicContact CG2-CD1 3.14Å; I380-F459 HydrophobicContact CG2-CD2 4.36Å; I380-F459 HydrophobicContact CG2-CE1 3.53Å; I380-F459 HydrophobicContact CG2-CG 3.6Å; I380-F459 HydrophobicContact CG2-CZ 4.29Å
381I94.8Very high92.1Very high85 Ų8546.9 Ų46.944%0.43622%0.224SC..Hα-helixtrans-66.5-48.5-175.9-67.6175.2000111T377 G383 L384 I385T377-I381 HydrophobicContact CG2-CD1 3.6Å; T377-I381 HydrophobicContact CG2-CG1 4.39Å; T377-I381 WeakPolarHBondContact O-CB 3.31Å; T377-I381 WeakPolarHBondContact O-CG1 3.47Å; T377-I381 PolarHBondContact O-N 3.44Å; I381-G383 VanDerWaalsContact C-N 3.34Å; I381-G383 PolarHBondContact O-N 3.42Å; I381-L384 PolarHBondContact O-N 2.93Å; I381-I385 HydrophobicContact CG2-CD1 3.68Å; I381-I385 HydrophobicContact CG2-CG1 4.44Å; I381-I385 VanDerWaalsContact O-CG1 3.32Å; I381-I385 WeakPolarHBondContact O-CG1 3.1Å; I381-I385 PolarHBondContact O-N 3.46Å
382W94.9Very high92.9Very high94 Ų9447.1 Ų47.136%0.35623%0.23SC..Hα-helixtrans-66-37.8177.2-75.8119.6000112I178 G183 F184 G378 L384 I385 L386I178-W382 HydrophobicContact CD1-CB 4.4Å; I178-W382 HydrophobicContact CD1-CD2 3.72Å; I178-W382 HydrophobicContact CD1-CE3 3.59Å; I178-W382 HydrophobicContact CD1-CG 4.1Å; I178-W382 HydrophobicContact CD1-CZ3 4.05Å; I178-W382 HydrophobicContact CG2-CD2 4.27Å; I178-W382 HydrophobicContact CG2-CG 4.15Å; G183-W382 PolarHBondContact O-NE1 3.26Å; F184-W382 AromaticContact CD1-CD1 3.94Å; F184-W382 HydrophobicContact CE1-CB 3.84Å; F184-W382 HydrophobicContact CE1-CG 4.26Å; G378-W382 VanDerWaalsContact O-CB 3.28Å; G378-W382 WeakPolarHBondContact O-CB 3.36Å; G378-W382 PolarHBondContact O-N 2.95Å; W382-L384 PolarHBondContact O-N 3.21Å; W382-I385 PolarHBondContact O-N 2.75Å; W382-L386 VanDerWaalsContact O-CB 3.27Å; W382-L386 WeakPolarHBondContact O-CB 3.35Å; W382-L386 VanDerWaalsContact O-CG 3.23Å; W382-L386 WeakPolarHBondContact O-CG 3.5Å; W382-L386 PolarHBondContact O-N 3.18Å
383G95.3Very high93.5Very high1 Ų143.3 Ų43.31%0.0122%0.216CC..Hα-helixtrans-57.1-47.6173.700000111.8F379 I380 I381 C387F379-G383 WeakPolarHBondContact O-CA 3.18Å; F379-G383 PolarHBondContact O-N 2.76Å; I380-G383 PolarHBondContact O-N 3.39Å; I381-G383 VanDerWaalsContact C-N 3.34Å; I381-G383 PolarHBondContact O-N 3.42Å; G383-C387 WeakPolarHBondContact O-CB 3.38Å; G383-C387 PolarHBondContact O-N 3.35Å
384L95.8Very high93.9Very high26 Ų2639.9 Ų39.914%0.13620%0.198CC..Hα-helixtrans-62.9-50.1176.1-176.6156.6000112.1I380 I381 W382 L386 C387 L388 F459 I460 F463I380-L384 WeakPolarHBondContact O-CB 3.38Å; I380-L384 PolarHBondContact O-N 3.44Å; I381-L384 PolarHBondContact O-N 2.93Å; W382-L384 PolarHBondContact O-N 3.21Å; L384-L386 PolarHBondContact O-N 3.44Å; L384-C387 WeakPolarHBondContact O-CB 3.23Å; L384-C387 PolarHBondContact O-N 2.89Å; L384-L388 HydrophobicContact CD2-CD1 3.86Å; L384-L388 WeakPolarHBondContact O-CG 3.38Å; L384-L388 PolarHBondContact O-N 3.34Å; L384-L388 VanDerWaalsContact O-N 3.14Å; L384-F459 HydrophobicContact CD1-CD1 4.35Å; L384-F459 HydrophobicContact CD1-CE1 3.74Å; L384-I460 HydrophobicContact CB-CG1 4.25Å; L384-F463 HydrophobicContact CD1-CB 4.09Å; L384-F463 HydrophobicContact CD1-CD1 3.57Å; L384-F463 HydrophobicContact CD1-CD2 4.05Å; L384-F463 HydrophobicContact CD1-CE1 3.96Å; L384-F463 HydrophobicContact CD1-CE2 4.39Å; L384-F463 HydrophobicContact CD1-CG 3.61Å; L384-F463 HydrophobicContact CD1-CZ 4.35Å; L384-F463 HydrophobicContact CD2-CE1 4.27Å; L384-F463 HydrophobicContact CG-CD1 4.25Å; L384-F463 HydrophobicContact CG-CE1 4.43Å
385I95.8Very high94.2Very high73 Ų7337.9 Ų37.937%0.37419%0.189SC..Hα-helixtrans-61.1-48.2-178-69.9169.5000110.7I381 W382 C387 L388 L389I381-I385 HydrophobicContact CG2-CD1 3.68Å; I381-I385 HydrophobicContact CG2-CG1 4.44Å; I381-I385 VanDerWaalsContact O-CG1 3.32Å; I381-I385 WeakPolarHBondContact O-CG1 3.1Å; I381-I385 PolarHBondContact O-N 3.46Å; W382-I385 PolarHBondContact O-N 2.75Å; I385-C387 VanDerWaalsContact C-N 3.32Å; I385-C387 PolarHBondContact O-N 3.1Å; I385-L388 PolarHBondContact O-N 3.12Å; I385-L389 VanDerWaalsContact O-CB 3.24Å; I385-L389 WeakPolarHBondContact O-CB 3.42Å; I385-L389 PolarHBondContact O-N 3.26Å
386L96.1Very high94.5Very high8 Ų834.8 Ų34.84%0.04218%0.179CC..Hα-helixtrans-66.6-36.1-179.5-69.2176.5000112.1I174 M175 I178 W382 L384 L388 L389 S390I174-L386 HydrophobicContact CB-CD1 4.22Å; I174-L386 HydrophobicContact CB-CD2 4.17Å; I174-L386 HydrophobicContact CG2-CD1 3.88Å; I174-L386 HydrophobicContact CG2-CD2 3.48Å; I174-L386 VanDerWaalsContact CG2-CD2 3.48Å; I174-L386 HydrophobicContact CG2-CG 4.34Å; M175-L386 HydrophobicContact CB-CD1 4.35Å; M175-L386 HydrophobicContact CG-CD1 3.38Å; I178-L386 HydrophobicContact CD1-CD1 3.86Å; I178-L386 HydrophobicContact CD1-CG 4.47Å; W382-L386 VanDerWaalsContact O-CB 3.27Å; W382-L386 WeakPolarHBondContact O-CB 3.35Å; W382-L386 VanDerWaalsContact O-CG 3.23Å; W382-L386 WeakPolarHBondContact O-CG 3.5Å; W382-L386 PolarHBondContact O-N 3.18Å; L384-L386 PolarHBondContact O-N 3.44Å; L386-L388 VanDerWaalsContact C-N 3.31Å; L386-L388 PolarHBondContact O-N 2.94Å; L386-L389 PolarHBondContact O-N 3.14Å; L386-S390 WeakPolarHBondContact O-CB 3.48Å; L386-S390 PolarHBondContact O-N 3.48Å; L386-S390 PolarHBondContact O-OG 3.1Å
387C95Very high94.6Very high2 Ų237.9 Ų37.91%0.01420%0.2CC..Hα-helixtrans-59.2-41.4175.1-178.60000112.3G383 L384 I385 R391 R426G383-C387 WeakPolarHBondContact O-CB 3.38Å; G383-C387 PolarHBondContact O-N 3.35Å; L384-C387 WeakPolarHBondContact O-CB 3.23Å; L384-C387 PolarHBondContact O-N 2.89Å; I385-C387 VanDerWaalsContact C-N 3.32Å; I385-C387 PolarHBondContact O-N 3.1Å; C387-R391 WeakPolarHBondContact O-CB 3.3Å; C387-R426 PolarHBondContact SG-NE 3.16Å; C387-R426 PolarHBondContact SG-NH2 2.89Å
388L94.6Very high94.6Very high52 Ų5234.7 Ų34.727%0.27218%0.181SC..Hα-helixtrans-76.8-40.9176.6-62.3-178.3000112.4L384 I385 L386 T392 M468L384-L388 HydrophobicContact CD2-CD1 3.86Å; L384-L388 WeakPolarHBondContact O-CG 3.38Å; L384-L388 PolarHBondContact O-N 3.34Å; L384-L388 VanDerWaalsContact O-N 3.14Å; I385-L388 PolarHBondContact O-N 3.12Å; L386-L388 VanDerWaalsContact C-N 3.31Å; L386-L388 PolarHBondContact O-N 2.94Å; L388-T392 PolarHBondContact O-N 2.94Å; L388-T392 VanDerWaalsContact O-N 3.1Å; L388-T392 PolarHBondContact O-OG1 3.38Å; L388-M468 HydrophobicContact CD1-CE 3.6Å; L388-M468 HydrophobicContact CD2-CE 3.4Å; L388-M468 HydrophobicContact CD2-SD 3.93Å; L388-M468 HydrophobicContact CG-CE 4.14Å
389L95.4Very high94.6Very high83 Ų8334.2 Ų34.244%0.43518%0.175SC..Hα-helixtrans-67.9-47.1-178.2-176.566.1000111.6I385 L386 R391 T392 I393I385-L389 VanDerWaalsContact O-CB 3.24Å; I385-L389 WeakPolarHBondContact O-CB 3.42Å; I385-L389 PolarHBondContact O-N 3.26Å; L386-L389 PolarHBondContact O-N 3.14Å; L389-R391 VanDerWaalsContact C-N 3.29Å; L389-R391 PolarHBondContact O-N 3.24Å; L389-T392 WeakPolarHBondContact O-CB 3.39Å; L389-T392 PolarHBondContact O-N 3.02Å; L389-I393 HydrophobicContact CD1-CD1 4.15Å; L389-I393 HydrophobicContact CG-CD1 3.88Å; L389-I393 WeakPolarHBondContact O-CG1 3.26Å; L389-I393 PolarHBondContact O-N 3.38Å
390S95.5Very high94.4Very high6 Ų637 Ų374%0.04220%0.198CC..Hα-helixtrans-60-44.2178.878.40000110.3N167 I171 L386 T392 I393 V394N167-S390 WeakPolarHBondContact OD1-CB 3.48Å; N167-S390 PolarHBondContact OD1-O 2.99Å; N167-S390 PolarHBondContact OD1-OG 2.99Å; I171-S390 WeakPolarHBondContact CD1-OG 3.49Å; I171-S390 WeakPolarHBondContact CG1-OG 3.45Å; L386-S390 WeakPolarHBondContact O-CB 3.48Å; L386-S390 PolarHBondContact O-N 3.48Å; L386-S390 PolarHBondContact O-OG 3.1Å; S390-T392 VanDerWaalsContact C-N 3.31Å; S390-T392 PolarHBondContact O-N 2.89Å; S390-I393 PolarHBondContact O-N 2.91Å; S390-V394 VanDerWaalsContact O-CB 3.31Å; S390-V394 WeakPolarHBondContact O-CB 3.49Å; S390-V394 VanDerWaalsContact O-CG2 3.25Å; S390-V394 WeakPolarHBondContact O-CG2 3.46Å; S390-V394 PolarHBondContact O-N 3.03Å
391R94.5Very high94.1Very high10 Ų1041.9 Ų41.94%0.03822%0.223CC..Hα-helixtrans-56.8-46.9177.8-17867.5176.1168.67111.2N167 E231 C387 L389 I395 L420N167-R391 PolarHBondContact OD1-N 3.21Å; E231-R391 IonicContact OE1-CZ 3.57Å; E231-R391 IonicContact OE1-NH1 3.65Å; E231-R391 PolarHBondContact OE1-NH1 3.14Å; E231-R391 IonicContact OE1-NH2 3.41Å; E231-R391 PolarHBondContact OE1-NH2 3.31Å; E231-R391 IonicContact OE2-CZ 3.92Å; E231-R391 IonicContact OE2-NH1 2.96Å; E231-R391 IonicContact OE2-NH2 3.75Å; E231-R391 PolarHBondContact OE2-NH2 3.4Å; C387-R391 WeakPolarHBondContact O-CB 3.3Å; L389-R391 VanDerWaalsContact C-N 3.29Å; L389-R391 PolarHBondContact O-N 3.24Å; R391-I395 HydrophobicContact CG-CD1 3.99Å; R391-I395 VanDerWaalsContact NE-CD1 3.32Å; R391-I395 WeakPolarHBondContact O-CB 3.29Å; R391-I395 WeakPolarHBondContact O-CG1 3.34Å; R391-I395 PolarHBondContact O-N 3.44Å; R391-L420 PolarHBondContact NH2-O 2.95Å; R391-L420 VanDerWaalsContact NH2-O 3.12Å
392T95.3Very high93.6Very high44 Ų4437.9 Ų37.927%0.2720%0.203SC..Hα-helixtrans-60.4-51178.4-56.70000111.2L388 L389 S390 F396 I421L388-T392 PolarHBondContact O-N 2.94Å; L388-T392 VanDerWaalsContact O-N 3.1Å; L388-T392 PolarHBondContact O-OG1 3.38Å; L389-T392 WeakPolarHBondContact O-CB 3.39Å; L389-T392 PolarHBondContact O-N 3.02Å; S390-T392 VanDerWaalsContact C-N 3.31Å; S390-T392 PolarHBondContact O-N 2.89Å; T392-F396 HydrophobicContact CG2-CD2 3.74Å; T392-F396 HydrophobicContact CG2-CE2 3.52Å; T392-F396 WeakPolarHBondContact O-CD2 3.33Å; T392-F396 PolarHBondContact O-N 3.32Å; T392-F396 VanDerWaalsContact O-N 3.1Å; T392-I421 HydrophobicContact CG2-CD1 4.21Å; T392-I421 WeakPolarHBondContact OG1-CG2 3.49Å
393I95.6Very high93.2Very high64 Ų6435.6 Ų35.633%0.32820%0.198SC..Hα-helixtrans-62.2-50.8-179.5-66.3167.6000110.6L389 S390 I395 F396 C397L389-I393 HydrophobicContact CD1-CD1 4.15Å; L389-I393 HydrophobicContact CG-CD1 3.88Å; L389-I393 WeakPolarHBondContact O-CG1 3.26Å; L389-I393 PolarHBondContact O-N 3.38Å; S390-I393 PolarHBondContact O-N 2.91Å; I393-I395 PolarHBondContact O-N 3.47Å; I393-F396 PolarHBondContact O-N 2.89Å; I393-C397 WeakPolarHBondContact O-CB 3.47Å; I393-C397 PolarHBondContact O-N 3.35Å; I393-C397 PolarHBondContact O-SG 3.4Å
394V95.4Very high92.5Very high5 Ų544.9 Ų44.93%0.0323%0.234CC..Hα-helixtrans-62.6-43-175.7170.30000111.4C166 F170 S390 C397 I398C166-V394 HydrophobicContact CB-CG1 4.16Å; C166-V394 HydrophobicContact CB-CG2 3.81Å; F170-V394 HydrophobicContact CD2-CG2 3.95Å; F170-V394 HydrophobicContact CE2-CG2 4.29Å; S390-V394 VanDerWaalsContact O-CB 3.31Å; S390-V394 WeakPolarHBondContact O-CB 3.49Å; S390-V394 VanDerWaalsContact O-CG2 3.25Å; S390-V394 WeakPolarHBondContact O-CG2 3.46Å; S390-V394 PolarHBondContact O-N 3.03Å; V394-C397 PolarHBondContact O-N 3.35Å; V394-I398 HydrophobicContact CG1-CD1 3.67Å; V394-I398 HydrophobicContact CG1-CG1 4.36Å; V394-I398 WeakPolarHBondContact O-CB 3.4Å; V394-I398 VanDerWaalsContact O-CG1 3.32Å; V394-I398 WeakPolarHBondContact O-CG1 3.14Å; V394-I398 PolarHBondContact O-N 3.41Å
395I94.1Very high91.7Very high1 Ų147.7 Ų47.71%0.00525%0.252CS..Hα-helixtrans-64.3-46.3176.8-73.3169000110.9R391 I393 C397 I398 T399 Q417 L420 I421R391-I395 HydrophobicContact CG-CD1 3.99Å; R391-I395 VanDerWaalsContact NE-CD1 3.32Å; R391-I395 WeakPolarHBondContact O-CB 3.29Å; R391-I395 WeakPolarHBondContact O-CG1 3.34Å; R391-I395 PolarHBondContact O-N 3.44Å; I393-I395 PolarHBondContact O-N 3.47Å; I395-C397 VanDerWaalsContact C-N 3.33Å; I395-C397 PolarHBondContact O-N 3.33Å; I395-I398 PolarHBondContact O-N 3.45Å; I395-T399 HydrophobicContact CG2-CG2 3.85Å; I395-T399 VanDerWaalsContact O-CB 3.28Å; I395-T399 WeakPolarHBondContact O-CB 3.48Å; I395-T399 WeakPolarHBondContact O-CG2 3.38Å; I395-T399 PolarHBondContact O-N 3.22Å; I395-T399 PolarHBondContact O-OG1 3.34Å; I395-Q417 HydrophobicContact CG2-CB 4.44Å; I395-L420 VanDerWaalsContact CD1-C 3.49Å; I395-L420 HydrophobicContact CD1-CB 4.11Å; I395-L420 HydrophobicContact CD1-CD2 4.1Å; I395-L420 HydrophobicContact CD1-CG 3.78Å; I395-L420 WeakPolarHBondContact CD1-O 3.12Å; I395-L420 HydrophobicContact CG1-CD2 4.09Å; I395-L420 HydrophobicContact CG1-CG 4.32Å; I395-L420 HydrophobicContact CG2-CB 4.44Å; I395-L420 HydrophobicContact CG2-CD2 3.91Å; I395-L420 HydrophobicContact CG2-CG 4.5Å; I395-I421 HydrophobicContact CB-CD1 4.41Å; I395-I421 HydrophobicContact CB-CG1 3.82Å; I395-I421 HydrophobicContact CD1-CB 4.16Å; I395-I421 HydrophobicContact CD1-CG1 3.54Å; I395-I421 HydrophobicContact CG1-CG1 4.28Å; I395-I421 HydrophobicContact CG2-CD1 4.19Å; I395-I421 HydrophobicContact CG2-CG1 3.77Å
396F94Very high90.4Very high84 Ų8448.3 Ų48.337%0.36826%0.256SS..Hα-helixtrans-62.7-40.4178.6-76.8-51.1000112.3T392 I393 T399 A400 Q417 I421T392-F396 HydrophobicContact CG2-CD2 3.74Å; T392-F396 HydrophobicContact CG2-CE2 3.52Å; T392-F396 WeakPolarHBondContact O-CD2 3.33Å; T392-F396 PolarHBondContact O-N 3.32Å; T392-F396 VanDerWaalsContact O-N 3.1Å; I393-F396 PolarHBondContact O-N 2.89Å; F396-T399 WeakPolarHBondContact CA-OG1 3.19Å; F396-T399 PolarHBondContact O-OG1 3.34Å; F396-A400 VanDerWaalsContact O-CB 3.24Å; F396-A400 WeakPolarHBondContact O-CB 3.29Å; F396-A400 PolarHBondContact O-N 2.87Å; F396-Q417 VanDerWaalsContact CD1-OE1 3.26Å; F396-Q417 HydrophobicContact CE1-CB 4.25Å; F396-Q417 VanDerWaalsContact CE1-OE1 3.27Å; F396-I421 HydrophobicContact CD2-CD1 4.13Å; F396-I421 HydrophobicContact CE1-CD1 4.1Å; F396-I421 HydrophobicContact CE2-CD1 3.63Å; F396-I421 HydrophobicContact CZ-CD1 3.6Å
397C93.5Very high88.5Confident68 Ų6850.3 Ų50.346%0.45927%0.266SS..Hα-helixtrans-64.1-48.4176-69.90000112.1I393 V394 I395 A400 I401I393-C397 WeakPolarHBondContact O-CB 3.47Å; I393-C397 PolarHBondContact O-N 3.35Å; I393-C397 PolarHBondContact O-SG 3.4Å; V394-C397 PolarHBondContact O-N 3.35Å; I395-C397 VanDerWaalsContact C-N 3.33Å; I395-C397 PolarHBondContact O-N 3.33Å; C397-A400 PolarHBondContact O-N 3.37Å; C397-I401 VanDerWaalsContact O-CG1 3.31Å; C397-I401 WeakPolarHBondContact O-CG1 3.42Å; C397-I401 PolarHBondContact O-N 3.3Å; C397-I401 VanDerWaalsContact O-N 3.08Å
398I92.3Very high86.6Confident9 Ų952.2 Ų52.25%0.04628%0.276CS..Hα-helixtrans-66.9-43.8-179.1-68.9175.3000110.8I158 F159 V394 I395 A400 I401 V402I158-I398 HydrophobicContact CG2-CG2 3.65Å; F159-I398 HydrophobicContact CD1-CB 4.3Å; F159-I398 HydrophobicContact CD1-CD1 4.45Å; F159-I398 HydrophobicContact CD1-CG2 3.77Å; F159-I398 HydrophobicContact CD2-CG2 4.25Å; F159-I398 HydrophobicContact CE1-CB 3.93Å; F159-I398 HydrophobicContact CE1-CG2 3.53Å; F159-I398 HydrophobicContact CE2-CG2 4.03Å; F159-I398 HydrophobicContact CG-CG2 4.12Å; F159-I398 HydrophobicContact CZ-CB 4.4Å; F159-I398 HydrophobicContact CZ-CG2 3.67Å; V394-I398 HydrophobicContact CG1-CD1 3.67Å; V394-I398 HydrophobicContact CG1-CG1 4.36Å; V394-I398 WeakPolarHBondContact O-CB 3.4Å; V394-I398 VanDerWaalsContact O-CG1 3.32Å; V394-I398 WeakPolarHBondContact O-CG1 3.14Å; V394-I398 PolarHBondContact O-N 3.41Å; I395-I398 PolarHBondContact O-N 3.45Å; I398-A400 VanDerWaalsContact C-N 3.31Å; I398-A400 PolarHBondContact O-N 3.08Å; I398-I401 PolarHBondContact O-N 3.27Å; I398-I401 VanDerWaalsContact O-N 3.15Å; I398-V402 HydrophobicContact CG2-CG2 4.09Å; I398-V402 VanDerWaalsContact O-CG2 3.31Å; I398-V402 WeakPolarHBondContact O-CG2 3.38Å; I398-V402 PolarHBondContact O-N 3.43Å
399T90.8Very high84.8Confident2 Ų257.3 Ų57.31%0.01230%0.299CS..Hα-helixtrans-63-37.3177.4550000111.7F159 I395 F396 V402 N403 I412 Q417F159-T399 HydrophobicContact CE1-CG2 3.94Å; F159-T399 HydrophobicContact CZ-CG2 3.55Å; I395-T399 HydrophobicContact CG2-CG2 3.85Å; I395-T399 VanDerWaalsContact O-CB 3.28Å; I395-T399 WeakPolarHBondContact O-CB 3.48Å; I395-T399 WeakPolarHBondContact O-CG2 3.38Å; I395-T399 PolarHBondContact O-N 3.22Å; I395-T399 PolarHBondContact O-OG1 3.34Å; F396-T399 WeakPolarHBondContact CA-OG1 3.19Å; F396-T399 PolarHBondContact O-OG1 3.34Å; T399-V402 PolarHBondContact O-N 3.19Å; T399-N403 WeakPolarHBondContact O-CB 3.37Å; T399-N403 PolarHBondContact O-N 2.93Å; T399-N403 PolarHBondContact O-ND2 3.1Å; T399-I412 HydrophobicContact CG2-CD1 4.28Å; T399-I412 HydrophobicContact CG2-CG2 4.4Å; T399-Q417 HydrophobicContact CG2-CG 3.77Å
400A89Confident83.2Confident59 Ų5953.8 Ų53.849%0.48828%0.281SS..Hα-helixtrans-62.2-42.4173.100000111.8F396 C397 I398 Y404F396-A400 VanDerWaalsContact O-CB 3.24Å; F396-A400 WeakPolarHBondContact O-CB 3.29Å; F396-A400 PolarHBondContact O-N 2.87Å; C397-A400 PolarHBondContact O-N 3.37Å; I398-A400 VanDerWaalsContact C-N 3.31Å; I398-A400 PolarHBondContact O-N 3.08Å; A400-Y404 VanDerWaalsContact O-CB 3.22Å; A400-Y404 WeakPolarHBondContact O-CB 3.45Å; A400-Y404 PolarHBondContact O-N 3.21Å
401I88.1Confident81.9Confident103 Ų10361.2 Ų61.253%0.52831%0.312SS..Hα-helixtrans-65.3-48.5176.3-65.7164.8000110.7C397 I398 N403 Y404 V405C397-I401 VanDerWaalsContact O-CG1 3.31Å; C397-I401 WeakPolarHBondContact O-CG1 3.42Å; C397-I401 PolarHBondContact O-N 3.3Å; C397-I401 VanDerWaalsContact O-N 3.08Å; I398-I401 PolarHBondContact O-N 3.27Å; I398-I401 VanDerWaalsContact O-N 3.15Å; I401-N403 PolarHBondContact O-N 2.86Å; I401-Y404 PolarHBondContact O-N 2.91Å; I401-V405 HydrophobicContact CG2-CG2 4.3Å; I401-V405 WeakPolarHBondContact O-CG2 3.37Å; I401-V405 PolarHBondContact O-N 3.2Å
402V85Confident81.2Confident1 Ų161.3 Ų61.31%0.00631%0.313CS..Hα-helixtrans-62.3-45.2-179.3171.60000111V155 I398 T399 Y404 N406V155-V402 HydrophobicContact CG1-CG1 4.26Å; V155-V402 HydrophobicContact CG2-CG1 4.16Å; I398-V402 HydrophobicContact CG2-CG2 4.09Å; I398-V402 VanDerWaalsContact O-CG2 3.31Å; I398-V402 WeakPolarHBondContact O-CG2 3.38Å; I398-V402 PolarHBondContact O-N 3.43Å; T399-V402 PolarHBondContact O-N 3.19Å; V402-Y404 VanDerWaalsContact C-N 3.29Å; V402-Y404 PolarHBondContact O-N 3.02Å; V402-N406 PolarHBondContact O-N 2.97Å
403N85.3Confident80.7Confident47 Ų4762.7 Ų62.725%0.25132%0.322SS..Hα-helixtrans-67.2-28.8177.5-72.1-17.8000112.4T399 I401 N406 I412T399-N403 WeakPolarHBondContact O-CB 3.37Å; T399-N403 PolarHBondContact O-N 2.93Å; T399-N403 PolarHBondContact O-ND2 3.1Å; I401-N403 PolarHBondContact O-N 2.86Å; N403-N406 PolarHBondContact O-OD1 3.2Å; N403-I412 PolarHBondContact ND2-O 2.87Å; N403-I412 PolarHBondContact OD1-N 3.13Å
404Y82.4Confident80.3Confident195 Ų19565.2 Ų65.277%0.76534%0.335SS*.Hα-helixtrans-76.5-47.1176.4179.1-97.8000112.1A400 I401 V402 N406A400-Y404 VanDerWaalsContact O-CB 3.22Å; A400-Y404 WeakPolarHBondContact O-CB 3.45Å; A400-Y404 PolarHBondContact O-N 3.21Å; I401-Y404 PolarHBondContact O-N 2.91Å; V402-Y404 VanDerWaalsContact C-N 3.29Å; V402-Y404 PolarHBondContact O-N 3.02Å; Y404-N406 PolarHBondContact O-N 3.38Å
405V77.6Confident79.9Confident85 Ų8567.4 Ų67.452%0.51535%0.35SS..Hα-helixtrans-70.7-14.4180-1780000111I401 I407I401-V405 HydrophobicContact CG2-CG2 4.3Å; I401-V405 WeakPolarHBondContact O-CG2 3.37Å; I401-V405 PolarHBondContact O-N 3.2Å; V405-I407 HydrophobicContact CB-CD1 4.19Å; V405-I407 HydrophobicContact CB-CG1 3.78Å; V405-I407 HydrophobicContact CG1-CD1 3.89Å; V405-I407 HydrophobicContact CG1-CG1 3.39Å; V405-I407 PolarHBondContact O-N 2.95Å
406N68.6Low79.6Confident86 Ų8668.7 Ų68.746%0.4636%0.356SS..THydrogen-bonded Turntrans48.643.5-174.7-71.8-52.7000111.4V402 N403 Y404 D408 E409V402-N406 PolarHBondContact O-N 2.97Å; N403-N406 PolarHBondContact O-OD1 3.2Å; Y404-N406 PolarHBondContact O-N 3.38Å; N406-D408 PolarHBondContact O-N 3.43Å; N406-E409 PolarHBondContact O-N 3.31Å
407I56.6Low79.4Confident51 Ų5165.3 Ų65.326%0.26234%0.342SS..G310 helixtrans-61115.7174.5-56.6175.8000106.2V155 I158 V405 E409 T410V155-I407 HydrophobicContact CG2-CG2 4.25Å; I158-I407 HydrophobicContact CD1-CD1 3.91Å; V405-I407 HydrophobicContact CB-CD1 4.19Å; V405-I407 HydrophobicContact CB-CG1 3.78Å; V405-I407 HydrophobicContact CG1-CD1 3.89Å; V405-I407 HydrophobicContact CG1-CG1 3.39Å; V405-I407 PolarHBondContact O-N 2.95Å; I407-E409 PolarHBondContact O-N 2.89Å; I407-T410 PolarHBondContact O-N 3.08Å; I407-T410 PolarHBondContact O-OG1 3.21Å
408D56Low79.3Confident42 Ų4265.3 Ų65.323%0.22534%0.336CS..G310 helixtrans71.415.6175.9-60.1-48.5000118.1N406 T410 R516N406-D408 PolarHBondContact O-N 3.43Å; D408-T410 HydrophobicContact CB-CG2 3.69Å; D408-T410 WeakPolarHBondContact O-CG2 3.24Å; D408-T410 PolarHBondContact O-N 3.47Å; D408-R516 VanDerWaalsContact C-NH1 3.31Å; D408-R516 VanDerWaalsContact CB-NH1 3.32Å; D408-R516 PolarHBondContact O-NH1 2.96Å; D408-R516 WeakPolarHBondContact OD1-CD 3.31Å; D408-R516 IonicContact OD1-NH1 3.81Å; D408-R516 PolarHBondContact OD1-NH1 2.85Å
409E56Low79.1Confident159 Ų15964.9 Ų64.974%0.74333%0.334SS*.G310 helixtrans59.817.7-171.6-58.9177148.300113.2N406 I407 K411 R516N406-E409 PolarHBondContact O-N 3.31Å; I407-E409 PolarHBondContact O-N 2.89Å; E409-K411 PolarHBondContact O-N 3.14Å; E409-R516 IonicContact OE2-NH2 2.61Å
410T61.3Low79.1Confident9 Ų965 Ų656%0.05534%0.335CS..  trans-85.2107-175.864.60000109.5Y152 I407 D408Y152-T410 HydrophobicContact CD1-CG2 3.8Å; Y152-T410 HydrophobicContact CE1-CG2 3.13Å; I407-T410 PolarHBondContact O-N 3.08Å; I407-T410 PolarHBondContact O-OG1 3.21Å; D408-T410 HydrophobicContact CB-CG2 3.69Å; D408-T410 WeakPolarHBondContact O-CG2 3.24Å; D408-T410 PolarHBondContact O-N 3.47Å
411K69.2Low79.3Confident161 Ų16163.6 Ų63.670%0.732%0.319SS*.  trans-95105.7172.1-69.1-175.3-179.31790108.9E409 T413E409-K411 PolarHBondContact O-N 3.14Å; K411-T413 PolarHBondContact O-N 3.16Å
412I79.1Confident79.4Confident12 Ų1261.3 Ų61.36%0.06230%0.304CS..  trans-78105.8174.1-54.8177.8000107.8V155 F159 T399 N403 Q416 Q417V155-I412 HydrophobicContact CG1-CD1 4.48Å; F159-I412 HydrophobicContact CE2-CD1 3.8Å; F159-I412 HydrophobicContact CZ-CD1 3.91Å; T399-I412 HydrophobicContact CG2-CD1 4.28Å; T399-I412 HydrophobicContact CG2-CG2 4.4Å; N403-I412 PolarHBondContact ND2-O 2.87Å; N403-I412 PolarHBondContact OD1-N 3.13Å; I412-Q416 HydrophobicContact CG2-CB 3.75Å; I412-Q417 HydrophobicContact CG2-CG 3.69Å; I412-Q417 PolarHBondContact O-NE2 3.46Å
413T85.1Confident79.4Confident73 Ų7361.4 Ų61.445%0.44831%0.305SS..  trans-63.4152.2178.161.20000111.2K411 S415 Q416 Q417K411-T413 PolarHBondContact O-N 3.16Å; T413-S415 PolarHBondContact O-N 3.12Å; T413-S415 VanDerWaalsContact O-N 3.16Å; T413-Q416 WeakPolarHBondContact O-CA 3.26Å; T413-Q416 WeakPolarHBondContact O-CB 3.29Å; T413-Q416 PolarHBondContact O-N 3.19Å; T413-Q416 VanDerWaalsContact OG1-CD 3.27Å; T413-Q416 VanDerWaalsContact OG1-CG 3.3Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.06Å; T413-Q416 PolarHBondContact OG1-N 2.88Å; T413-Q416 PolarHBondContact OG1-OE1 3.48Å; T413-Q416 VanDerWaalsContact OG1-OE1 3.06Å; T413-Q417 WeakPolarHBondContact O-CG 3.33Å; T413-Q417 PolarHBondContact O-N 3.31Å
414I87Confident79.5Confident118 Ų11859.5 Ų59.561%0.60530%0.296SS*.Hα-helixtrans-56-36.7179.7-61.8168.6000111.5Q416 Q417 I418I414-Q416 PolarHBondContact O-N 3.43Å; I414-Q417 WeakPolarHBondContact O-CB 3.4Å; I414-Q417 PolarHBondContact O-N 2.87Å; I414-Q417 VanDerWaalsContact O-N 3.16Å; I414-I418 HydrophobicContact CG2-CD1 4.12Å; I414-I418 HydrophobicContact CG2-CG1 4.49Å; I414-I418 WeakPolarHBondContact O-CG1 3.32Å; I414-I418 PolarHBondContact O-N 3.33Å
415S86.9Confident79.8Confident51 Ų5150.4 Ų50.436%0.35726%0.261SS..Hα-helixtrans-60-43.3174.6-53.80000112.2T413 Q417 I418 I419 L479T413-S415 PolarHBondContact O-N 3.12Å; T413-S415 VanDerWaalsContact O-N 3.16Å; S415-Q417 VanDerWaalsContact C-N 3.33Å; S415-Q417 PolarHBondContact O-N 2.92Å; S415-I418 PolarHBondContact O-N 3.41Å; S415-I419 VanDerWaalsContact O-CD1 3.3Å; S415-I419 WeakPolarHBondContact O-CD1 3.22Å; S415-I419 VanDerWaalsContact O-CG1 3.22Å; S415-I419 WeakPolarHBondContact O-CG1 3.5Å; S415-I419 PolarHBondContact O-N 3.27Å; S415-L479 WeakPolarHBondContact O-CD2 3.41Å
416Q87.3Confident80.5Confident28 Ų2846.5 Ų46.513%0.13124%0.237CC..Hα-helixtrans-64.9-37.2174.9-71.8164.9-27.200111.9L224 I412 T413 I414 I419 L420L224-Q416 HydrophobicContact CD1-CB 3.96Å; L224-Q416 HydrophobicContact CD1-CG 4.06Å; L224-Q416 HydrophobicContact CD2-CG 4.09Å; I412-Q416 HydrophobicContact CG2-CB 3.75Å; T413-Q416 WeakPolarHBondContact O-CA 3.26Å; T413-Q416 WeakPolarHBondContact O-CB 3.29Å; T413-Q416 PolarHBondContact O-N 3.19Å; T413-Q416 VanDerWaalsContact OG1-CD 3.27Å; T413-Q416 VanDerWaalsContact OG1-CG 3.3Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.06Å; T413-Q416 PolarHBondContact OG1-N 2.88Å; T413-Q416 PolarHBondContact OG1-OE1 3.48Å; T413-Q416 VanDerWaalsContact OG1-OE1 3.06Å; I414-Q416 PolarHBondContact O-N 3.43Å; Q416-I419 PolarHBondContact O-N 3.28Å; Q416-L420 PolarHBondContact O-N 2.96Å
417Q91.2Very high81.4Confident13 Ų1342.5 Ų42.56%0.06122%0.216CC..Hα-helixtrans-63.8-45.1176.2-56.6175.59.400111.3I395 F396 T399 I412 T413 I414 S415 I419 L420 I421I395-Q417 HydrophobicContact CG2-CB 4.44Å; F396-Q417 VanDerWaalsContact CD1-OE1 3.26Å; F396-Q417 HydrophobicContact CE1-CB 4.25Å; F396-Q417 VanDerWaalsContact CE1-OE1 3.27Å; T399-Q417 HydrophobicContact CG2-CG 3.77Å; I412-Q417 HydrophobicContact CG2-CG 3.69Å; I412-Q417 PolarHBondContact O-NE2 3.46Å; T413-Q417 WeakPolarHBondContact O-CG 3.33Å; T413-Q417 PolarHBondContact O-N 3.31Å; I414-Q417 WeakPolarHBondContact O-CB 3.4Å; I414-Q417 PolarHBondContact O-N 2.87Å; I414-Q417 VanDerWaalsContact O-N 3.16Å; S415-Q417 VanDerWaalsContact C-N 3.33Å; S415-Q417 PolarHBondContact O-N 2.92Å; Q417-I419 VanDerWaalsContact C-N 3.26Å; Q417-I419 PolarHBondContact O-N 2.89Å; Q417-L420 WeakPolarHBondContact O-CB 3.31Å; Q417-L420 PolarHBondContact O-N 3.25Å; Q417-L420 VanDerWaalsContact O-N 3.12Å; Q417-I421 VanDerWaalsContact O-CG1 3.24Å; Q417-I421 WeakPolarHBondContact O-CG1 3.49Å; Q417-I421 PolarHBondContact O-N 3.23Å
418I91.2Very high82.7Confident67 Ų6740.6 Ų40.634%0.34421%0.208SC..Hα-helixtrans-59.2-40.3176.9-68.7167.2000110.7I414 S415 I421 Y422 L479I414-I418 HydrophobicContact CG2-CD1 4.12Å; I414-I418 HydrophobicContact CG2-CG1 4.49Å; I414-I418 WeakPolarHBondContact O-CG1 3.32Å; I414-I418 PolarHBondContact O-N 3.33Å; S415-I418 PolarHBondContact O-N 3.41Å; I418-I421 PolarHBondContact O-N 3.2Å; I418-Y422 WeakPolarHBondContact O-CB 3.37Å; I418-Y422 PolarHBondContact O-N 3.38Å; I418-L479 HydrophobicContact CB-CD2 4.2Å; I418-L479 HydrophobicContact CG2-CD2 4.06Å
419I88.6Confident84.2Confident1 Ų139 Ų391%0.00520%0.2CC..Hα-helixtrans-68-39.4177.4-59.9156.9000111.2F215 L224 S415 Q416 Q417 I421 Y422 G423 M476 L479 I481F215-I419 HydrophobicContact CE1-CG2 3.78Å; F215-I419 HydrophobicContact CZ-CG2 3.47Å; F215-I419 VanDerWaalsContact CZ-CG2 3.47Å; L224-I419 HydrophobicContact CD2-CD1 4.02Å; L224-I419 HydrophobicContact CD2-CG2 4.48Å; S415-I419 VanDerWaalsContact O-CD1 3.3Å; S415-I419 WeakPolarHBondContact O-CD1 3.22Å; S415-I419 VanDerWaalsContact O-CG1 3.22Å; S415-I419 WeakPolarHBondContact O-CG1 3.5Å; S415-I419 PolarHBondContact O-N 3.27Å; Q416-I419 PolarHBondContact O-N 3.28Å; Q417-I419 VanDerWaalsContact C-N 3.26Å; Q417-I419 PolarHBondContact O-N 2.89Å; I419-I421 VanDerWaalsContact C-N 3.27Å; I419-I421 PolarHBondContact O-N 3.43Å; I419-Y422 PolarHBondContact O-N 3.38Å; I419-G423 WeakPolarHBondContact O-CA 3.07Å; I419-G423 PolarHBondContact O-N 3.03Å; I419-M476 HydrophobicContact CD1-SD 3.9Å; I419-M476 HydrophobicContact CG1-SD 3.84Å; I419-M476 HydrophobicContact CG2-SD 3.91Å; I419-L479 HydrophobicContact CD1-CD2 4.17Å; I419-L479 HydrophobicContact CG1-CD2 3.8Å; I419-I481 HydrophobicContact CD1-CD1 3.21Å; I419-I481 HydrophobicContact CD1-CG1 3.68Å; I419-I481 HydrophobicContact CG1-CD1 4.16Å
420L90Very high85.9Confident4 Ų431.4 Ų31.42%0.02117%0.165CC..Hα-helixtrans-63.9-35.1176.2-165.468.3000112F159 I227 V228 E231 R391 I395 Q416 Q417F159-L420 HydrophobicContact CD1-CD2 3.87Å; F159-L420 HydrophobicContact CE1-CD2 3.51Å; F159-L420 HydrophobicContact CZ-CD2 3.94Å; I227-L420 HydrophobicContact CG2-CD1 4.29Å; V228-L420 HydrophobicContact CG2-CD1 3.73Å; E231-L420 VanDerWaalsContact OE2-CD1 3.26Å; E231-L420 WeakPolarHBondContact OE2-CD1 3.4Å; R391-L420 PolarHBondContact NH2-O 2.95Å; R391-L420 VanDerWaalsContact NH2-O 3.12Å; I395-L420 VanDerWaalsContact CD1-C 3.49Å; I395-L420 HydrophobicContact CD1-CB 4.11Å; I395-L420 HydrophobicContact CD1-CD2 4.1Å; I395-L420 HydrophobicContact CD1-CG 3.78Å; I395-L420 WeakPolarHBondContact CD1-O 3.12Å; I395-L420 HydrophobicContact CG1-CD2 4.09Å; I395-L420 HydrophobicContact CG1-CG 4.32Å; I395-L420 HydrophobicContact CG2-CB 4.44Å; I395-L420 HydrophobicContact CG2-CD2 3.91Å; I395-L420 HydrophobicContact CG2-CG 4.5Å; Q416-L420 PolarHBondContact O-N 2.96Å; Q417-L420 WeakPolarHBondContact O-CB 3.31Å; Q417-L420 PolarHBondContact O-N 3.25Å; Q417-L420 VanDerWaalsContact O-N 3.12Å
421I92.3Very high87.3Confident30 Ų3031.1 Ų31.115%0.15416%0.162CC..Hα-helixtrans-71.2-52.5176-64.4165000110T392 I395 F396 Q417 I418 I419 G424T392-I421 HydrophobicContact CG2-CD1 4.21Å; T392-I421 WeakPolarHBondContact OG1-CG2 3.49Å; I395-I421 HydrophobicContact CB-CD1 4.41Å; I395-I421 HydrophobicContact CB-CG1 3.82Å; I395-I421 HydrophobicContact CD1-CB 4.16Å; I395-I421 HydrophobicContact CD1-CG1 3.54Å; I395-I421 HydrophobicContact CG1-CG1 4.28Å; I395-I421 HydrophobicContact CG2-CD1 4.19Å; I395-I421 HydrophobicContact CG2-CG1 3.77Å; F396-I421 HydrophobicContact CD2-CD1 4.13Å; F396-I421 HydrophobicContact CE1-CD1 4.1Å; F396-I421 HydrophobicContact CE2-CD1 3.63Å; F396-I421 HydrophobicContact CZ-CD1 3.6Å; Q417-I421 VanDerWaalsContact O-CG1 3.24Å; Q417-I421 WeakPolarHBondContact O-CG1 3.49Å; Q417-I421 PolarHBondContact O-N 3.23Å; I418-I421 PolarHBondContact O-N 3.2Å; I419-I421 VanDerWaalsContact C-N 3.27Å; I419-I421 PolarHBondContact O-N 3.43Å; I421-G424 PolarHBondContact O-N 3.49Å
422Y90.3Very high88.1Confident54 Ų5423.6 Ų23.621%0.21213%0.131CC..Hα-helixtrans-72.6-30.8-175.1-155.9-94.3000113.3I418 I419 G424 M468 T471 I472 L475I418-Y422 WeakPolarHBondContact O-CB 3.37Å; I418-Y422 PolarHBondContact O-N 3.38Å; I419-Y422 PolarHBondContact O-N 3.38Å; Y422-G424 PolarHBondContact O-N 2.88Å; Y422-M468 HydrophobicContact CE1-CB 4.07Å; Y422-M468 HydrophobicContact CE1-CG 4.47Å; Y422-M468 HydrophobicContact CE2-CE 4.46Å; Y422-T471 WeakPolarHBondContact CE1-OG1 2.97Å; Y422-T471 WeakPolarHBondContact OH-CB 3.48Å; Y422-T471 PolarHBondContact OH-OG1 3.26Å; Y422-I472 HydrophobicContact CD1-CB 4.29Å; Y422-I472 HydrophobicContact CD1-CD1 3.83Å; Y422-I472 HydrophobicContact CE1-CB 4.32Å; Y422-L475 HydrophobicContact CD1-CD2 3.41Å; Y422-L475 VanDerWaalsContact CD1-CD2 3.41Å; Y422-L475 HydrophobicContact CD2-CD2 3.84Å; Y422-L475 HydrophobicContact CE1-CD2 3.9Å; Y422-L475 HydrophobicContact CE2-CD2 4.3Å; Y422-L475 HydrophobicContact CG-CD2 3.36Å
423G85.8Confident88.7Confident3 Ų323.2 Ų23.23%0.03113%0.129CC..THydrogen-bonded Turntrans-79.4-0.6178.800000114.4I419 L425I419-G423 WeakPolarHBondContact O-CA 3.07Å; I419-G423 PolarHBondContact O-N 3.03Å; G423-L425 PolarHBondContact O-N 2.88Å
424G86.5Confident88.9Confident7 Ų719.8 Ų19.87%0.07211%0.107CC..  trans-78.554.7178.200000113.9V206 I421 Y422V206-G424 VanDerWaalsContact CG1-CA 3.47Å; I421-G424 PolarHBondContact O-N 3.49Å; Y422-G424 PolarHBondContact O-N 2.88Å
425L90.3Very high88.9Confident5 Ų515 Ų153%0.0268%0.084CC..BIsolated β-bridgetrans-68.4155.5-176.9-51.4144.5000110.2V206 D207 A210 V211 G423 T464 M468V206-L425 CarbonylContact C-O 3.57Å; V206-L425 VanDerWaalsContact CA-O 3.31Å; V206-L425 WeakPolarHBondContact CA-O 3.46Å; D207-L425 PolarHBondContact N-O 2.99Å; D207-L425 WeakPolarHBondContact O-CB 3.36Å; A210-L425 HydrophobicContact CB-CD1 3.81Å; V211-L425 HydrophobicContact CG2-CD1 3.99Å; G423-L425 PolarHBondContact O-N 2.88Å; L425-T464 VanDerWaalsContact CD2-C 3.5Å; L425-T464 WeakPolarHBondContact CD2-O 3.37Å; L425-M468 HydrophobicContact CD2-CB 3.53Å
426R92.1Very high88.6Confident2 Ų215.5 Ų15.51%0.0088%0.082CC..  trans-93.1146.9171.2-54.9-52.2176.6174.23.4108.8I203 V204 A205 C387 I460 I461 T464 V465I203-R426 HydrophobicContact CD1-CG 4.11Å; I203-R426 VanDerWaalsContact O-CD 3.22Å; I203-R426 WeakPolarHBondContact O-CD 3.31Å; I203-R426 PolarHBondContact O-NE 2.93Å; I203-R426 PolarHBondContact O-NH1 3.38Å; V204-R426 PolarHBondContact O-NH1 3.11Å; A205-R426 WeakPolarHBondContact O-CD 3.4Å; A205-R426 PolarHBondContact O-NH1 3.14Å; C387-R426 PolarHBondContact SG-NE 3.16Å; C387-R426 PolarHBondContact SG-NH2 2.89Å; R426-I460 HydrophobicContact CB-CG2 4.27Å; R426-I460 HydrophobicContact CG-CG2 3.73Å; R426-I461 HydrophobicContact CB-CG1 3.83Å; R426-T464 HydrophobicContact CG-CG2 4.33Å; R426-T464 PolarHBondContact N-OG1 3.34Å; R426-T464 VanDerWaalsContact N-OG1 3.15Å; R426-V465 VanDerWaalsContact O-CG2 3.29Å; R426-V465 WeakPolarHBondContact O-CG2 3.36Å
427G86Confident88.6Confident2 Ų214.1 Ų14.12%0.0218%0.076CC..  trans-143.2-156.8-173.200000114.5V429 A430 I461G427-V429 VanDerWaalsContact C-N 3.33Å; G427-V429 PolarHBondContact O-N 3.07Å; G427-A430 PolarHBondContact O-N 3.16Å; G427-I461 VanDerWaalsContact O-CD1 3.23Å; G427-I461 WeakPolarHBondContact O-CD1 3.31Å
428A84.1Confident88Confident12 Ų1215.7 Ų15.710%0.0999%0.087CC..Hα-helixtrans-43.1-50.3-177.900000115.3I360 A430 F431 A432I360-A428 HydrophobicContact CB-CB 4.47Å; I360-A428 HydrophobicContact CD1-CB 4.38Å; I360-A428 HydrophobicContact CG2-CB 3.36Å; A428-A430 PolarHBondContact O-N 2.72Å; A428-F431 PolarHBondContact O-N 3.27Å; A428-A432 PolarHBondContact O-N 3.31Å
429V88.4Confident87.2Confident8 Ų817.1 Ų17.15%0.0489%0.092CC..Hα-helixtrans-63.9-43.1-170.91770000111.2F128 L133 A205 D236 I240 G427 F431 A432 L433F128-V429 HydrophobicContact CZ-CG2 4.17Å; L133-V429 HydrophobicContact CD1-CG2 4.37Å; A205-V429 HydrophobicContact CB-CB 4.02Å; A205-V429 HydrophobicContact CB-CG1 3.94Å; D236-V429 HydrophobicContact CB-CG2 4.19Å; I240-V429 HydrophobicContact CD1-CG1 3.89Å; I240-V429 HydrophobicContact CG1-CG1 3.94Å; G427-V429 VanDerWaalsContact C-N 3.33Å; G427-V429 PolarHBondContact O-N 3.07Å; V429-F431 VanDerWaalsContact C-N 3.32Å; V429-F431 PolarHBondContact O-N 2.93Å; V429-A432 PolarHBondContact O-N 3.16Å; V429-L433 HydrophobicContact CG1-CD1 4.13Å; V429-L433 HydrophobicContact CG1-CG 4.46Å; V429-L433 WeakPolarHBondContact O-CB 3.26Å; V429-L433 WeakPolarHBondContact O-CG 3.34Å; V429-L433 PolarHBondContact O-N 3.44Å
430A92Very high86.4Confident0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-60.8-41.3177.400000112L202 I203 A205 G427 A428 A434 I461L202-A430 VanDerWaalsContact O-CA 3.32Å; L202-A430 WeakPolarHBondContact O-CA 3.35Å; L202-A430 WeakPolarHBondContact O-CB 3.36Å; I203-A430 HydrophobicContact CD1-CB 4.39Å; A205-A430 HydrophobicContact CB-CB 4.4Å; G427-A430 PolarHBondContact O-N 3.16Å; A428-A430 PolarHBondContact O-N 2.72Å; A430-A434 WeakPolarHBondContact O-CB 3.41Å; A430-A434 PolarHBondContact O-N 2.91Å; A430-A434 VanDerWaalsContact O-N 3.14Å; A430-I461 HydrophobicContact CB-CD1 4.36Å
431F89.5Confident85.6Confident2 Ų223.1 Ų23.11%0.00912%0.124CC..Hα-helixtrans-66.7-46.1175.8177.1-104.9000111.9F123 L364 Q367 A428 V429 L433 A434 V435 V454 L458 I461F123-F431 HydrophobicContact CD1-CE1 4Å; F123-F431 HydrophobicContact CE1-CD1 4.29Å; F123-F431 HydrophobicContact CE1-CE1 4.23Å; F123-F431 HydrophobicContact CG-CE1 4.46Å; L364-F431 HydrophobicContact CD1-CB 4.31Å; L364-F431 HydrophobicContact CD1-CG 4.41Å; Q367-F431 HydrophobicContact CB-CE1 4.36Å; Q367-F431 HydrophobicContact CB-CE2 4.34Å; Q367-F431 HydrophobicContact CB-CZ 3.59Å; Q367-F431 HydrophobicContact CG-CE1 4.13Å; Q367-F431 HydrophobicContact CG-CZ 3.72Å; A428-F431 PolarHBondContact O-N 3.27Å; V429-F431 VanDerWaalsContact C-N 3.32Å; V429-F431 PolarHBondContact O-N 2.93Å; F431-L433 VanDerWaalsContact C-N 3.33Å; F431-L433 PolarHBondContact O-N 3.27Å; F431-A434 WeakPolarHBondContact O-CB 3.23Å; F431-A434 PolarHBondContact O-N 3.47Å; F431-A434 VanDerWaalsContact O-N 3.1Å; F431-V435 HydrophobicContact CD1-CG2 4.43Å; F431-V435 HydrophobicContact CD2-CG2 4.33Å; F431-V435 HydrophobicContact CE1-CG2 3.88Å; F431-V435 HydrophobicContact CE2-CG2 3.77Å; F431-V435 HydrophobicContact CZ-CG2 3.51Å; F431-V435 PolarHBondContact O-N 3.08Å; F431-V454 HydrophobicContact CE2-CG1 4.05Å; F431-L458 HydrophobicContact CE2-CD1 4.15Å; F431-I461 HydrophobicContact CB-CD1 3.59Å
432A87Confident84.7Confident4 Ų422.2 Ų22.23%0.03312%0.119CC..Hα-helixtrans-61.2-43.4-178.400000112.2F123 F128 A428 V429 A434 V435 L436F123-A432 HydrophobicContact CE1-CB 3.85Å; F123-A432 HydrophobicContact CZ-CB 4Å; F128-A432 HydrophobicContact CB-CB 4.48Å; F128-A432 HydrophobicContact CD1-CB 3.46Å; F128-A432 VanDerWaalsContact CD1-CB 3.46Å; F128-A432 HydrophobicContact CD2-CB 3.78Å; F128-A432 HydrophobicContact CE1-CB 3.39Å; F128-A432 HydrophobicContact CE2-CB 3.71Å; F128-A432 HydrophobicContact CG-CB 3.63Å; F128-A432 HydrophobicContact CZ-CB 3.5Å; A428-A432 PolarHBondContact O-N 3.31Å; V429-A432 PolarHBondContact O-N 3.16Å; A432-A434 VanDerWaalsContact C-N 3.32Å; A432-A434 PolarHBondContact O-N 3.23Å; A432-V435 PolarHBondContact O-N 3.05Å; A432-L436 VanDerWaalsContact O-CB 3.27Å; A432-L436 WeakPolarHBondContact O-CB 3.19Å; A432-L436 PolarHBondContact O-N 3.29Å
433L90.3Very high83.4Confident4 Ų424.2 Ų24.22%0.02114%0.139CC..Hα-helixtrans-63.5-36.7174.4-71.7178.4000112.4L202 T239 I240 N243 V429 F431 L436 I437L202-L433 HydrophobicContact CB-CB 3.67Å; L202-L433 HydrophobicContact CB-CD1 4.1Å; T239-L433 HydrophobicContact CG2-CD1 3.54Å; I240-L433 HydrophobicContact CG1-CD1 3.95Å; I240-L433 HydrophobicContact CG1-CD2 4.07Å; I240-L433 HydrophobicContact CG1-CG 4.29Å; N243-L433 HydrophobicContact CB-CD1 3.98Å; N243-L433 HydrophobicContact CB-CD2 4.14Å; V429-L433 HydrophobicContact CG1-CD1 4.13Å; V429-L433 HydrophobicContact CG1-CG 4.46Å; V429-L433 WeakPolarHBondContact O-CB 3.26Å; V429-L433 WeakPolarHBondContact O-CG 3.34Å; V429-L433 PolarHBondContact O-N 3.44Å; F431-L433 VanDerWaalsContact C-N 3.33Å; F431-L433 PolarHBondContact O-N 3.27Å; L433-L436 HydrophobicContact CD2-CD2 4.4Å; L433-L436 PolarHBondContact O-N 3.04Å; L433-I437 WeakPolarHBondContact O-CG1 3.32Å; L433-I437 PolarHBondContact O-N 3.45Å
434A90.8Very high82.3Confident0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-65-41.3176.900000112.9L202 A430 F431 A432 L436 I453 V454 T457L202-A434 HydrophobicContact CD1-CB 4.27Å; L202-A434 HydrophobicContact CD2-CB 4.31Å; A430-A434 WeakPolarHBondContact O-CB 3.41Å; A430-A434 PolarHBondContact O-N 2.91Å; A430-A434 VanDerWaalsContact O-N 3.14Å; F431-A434 WeakPolarHBondContact O-CB 3.23Å; F431-A434 PolarHBondContact O-N 3.47Å; F431-A434 VanDerWaalsContact O-N 3.1Å; A432-A434 VanDerWaalsContact C-N 3.32Å; A432-A434 PolarHBondContact O-N 3.23Å; A434-L436 VanDerWaalsContact C-N 3.35Å; A434-I453 HydrophobicContact CB-CG2 4.11Å; A434-V454 HydrophobicContact CB-CG2 4.13Å; A434-T457 HydrophobicContact CB-CG2 3.89Å; A434-T457 WeakPolarHBondContact CB-OG1 3.31Å
435V85.9Confident81.4Confident19 Ų1935.8 Ų35.812%0.11520%0.196CC..Hα-helixtrans-72.8-31.1177.3175.90000111.6F431 A432 I437 V454F431-V435 HydrophobicContact CD1-CG2 4.43Å; F431-V435 HydrophobicContact CD2-CG2 4.33Å; F431-V435 HydrophobicContact CE1-CG2 3.88Å; F431-V435 HydrophobicContact CE2-CG2 3.77Å; F431-V435 HydrophobicContact CZ-CG2 3.51Å; F431-V435 PolarHBondContact O-N 3.08Å; A432-V435 PolarHBondContact O-N 3.05Å; V435-I437 PolarHBondContact O-N 3.43Å; V435-V454 HydrophobicContact CG2-CG1 4.27Å; V435-V454 HydrophobicContact CG2-CG2 4.33Å
436L81.9Confident80.6Confident60 Ų6036.3 Ų36.331%0.31420%0.202SC..Hα-helixtrans-71.1-14.3179.517658.1000113.3P125 A432 L433 A434 P438P125-L436 HydrophobicContact CB-CB 4.14Å; P125-L436 HydrophobicContact CB-CD1 3.31Å; P125-L436 HydrophobicContact CB-CG 4.14Å; P125-L436 HydrophobicContact CG-CB 4.19Å; P125-L436 HydrophobicContact CG-CD1 3.64Å; P125-L436 HydrophobicContact CG-CG 4.48Å; A432-L436 VanDerWaalsContact O-CB 3.27Å; A432-L436 WeakPolarHBondContact O-CB 3.19Å; A432-L436 PolarHBondContact O-N 3.29Å; L433-L436 HydrophobicContact CD2-CD2 4.4Å; L433-L436 PolarHBondContact O-N 3.04Å; A434-L436 VanDerWaalsContact C-N 3.35Å; L436-P438 WeakPolarHBondContact O-CD 3.26Å; L436-P438 VanDerWaalsContact O-N 3.14Å
437I85.5Confident80Confident0 Ų040.9 Ų40.90%023%0.226CC..SBendtrans-59118.9179.4-57177.9000110.2L198 L202 L433 V435 I441 F442 K450 I453L198-I437 HydrophobicContact CD2-CD1 3.95Å; L198-I437 HydrophobicContact CD2-CG1 4.33Å; L198-I437 HydrophobicContact CD2-CG2 3.99Å; L198-I437 HydrophobicContact CG-CD1 4.26Å; L202-I437 HydrophobicContact CD2-CD1 3.73Å; L433-I437 WeakPolarHBondContact O-CG1 3.32Å; L433-I437 PolarHBondContact O-N 3.45Å; V435-I437 PolarHBondContact O-N 3.43Å; I437-I441 HydrophobicContact CG2-CD1 4.16Å; I437-F442 HydrophobicContact CG2-CE2 3.72Å; I437-F442 HydrophobicContact CG2-CZ 3.84Å; I437-K450 WeakPolarHBondContact O-CE 3.49Å; I437-K450 PolarHBondContact O-NZ 2.84Å; I437-I453 HydrophobicContact CD1-CD1 4.2Å; I437-I453 HydrophobicContact CD1-CG2 3.86Å
438P79.3Confident79.9Confident46 Ų4643.6 Ų43.630%0.29924%0.236SC..  trans-59.6143.6173.2-18.426.3000112.4L436 D440 I441L436-P438 WeakPolarHBondContact O-CD 3.26Å; L436-P438 VanDerWaalsContact O-N 3.14Å; P438-D440 WeakPolarHBondContact CB-OD1 3.22Å; P438-I441 HydrophobicContact CB-CD1 4Å; P438-I441 HydrophobicContact CB-CG1 4.01Å; P438-I441 VanDerWaalsContact CD-CD1 3.46Å; P438-I441 HydrophobicContact CG-CD1 3.74Å; P438-I441 HydrophobicContact CG-CG1 4.28Å; P438-I441 WeakPolarHBondContact O-CB 3.23Å
439E73.8Confident80Confident96 Ų9643.7 Ų43.745%0.44923%0.234SC..G310 helixtrans-76.8-23.8-173.5-72.4171.3-159.500113.6I441 K450E439-I441 PolarHBondContact O-N 3.28Å; E439-K450 HydrophobicContact CG-CD 3.61Å; E439-K450 IonicContact OE1-NZ 3.34Å; E439-K450 PolarHBondContact OE1-NZ 3.13Å
440D72.3Confident80Confident125 Ų12544.3 Ų44.367%0.66824%0.236SC*.G310 helixtrans-69.6-16.2177.255.5-43.4000113.6P438 F442P438-D440 WeakPolarHBondContact CB-OD1 3.22Å; D440-F442 VanDerWaalsContact C-N 3.28Å; D440-F442 PolarHBondContact O-N 3.14Å
441I74.2Confident79.9Confident7 Ų744.7 Ų44.74%0.03624%0.238CC..G310 helixtrans-66.9-28.4179.7-69.6-171.6000112.2L198 I247 N250 N251 I437 P438 E439L198-I441 HydrophobicContact CD2-CG2 4.3Å; I247-I441 HydrophobicContact CB-CD1 4.29Å; I247-I441 HydrophobicContact CG1-CD1 4.1Å; I247-I441 HydrophobicContact CG2-CD1 3.77Å; N250-I441 HydrophobicContact CB-CG2 3.91Å; N250-I441 WeakPolarHBondContact ND2-CG2 3.46Å; N250-I441 PolarHBondContact ND2-O 3.35Å; N251-I441 WeakPolarHBondContact OD1-CG1 3.21Å; I437-I441 HydrophobicContact CG2-CD1 4.16Å; P438-I441 HydrophobicContact CB-CD1 4Å; P438-I441 HydrophobicContact CB-CG1 4.01Å; P438-I441 VanDerWaalsContact CD-CD1 3.46Å; P438-I441 HydrophobicContact CG-CD1 3.74Å; P438-I441 HydrophobicContact CG-CG1 4.28Å; P438-I441 WeakPolarHBondContact O-CB 3.23Å; E439-I441 PolarHBondContact O-N 3.28Å
442F72.1Confident80Confident11 Ų1144.6 Ų44.65%0.04824%0.238CC..SBendtrans-94.6123.6-177-42.6-107.2000110.7L195 I437 D440 M444 G446 H449 K450 I453L195-F442 HydrophobicContact CD1-CD1 3.92Å; L195-F442 HydrophobicContact CD1-CE1 3.41Å; L195-F442 VanDerWaalsContact CD1-CE1 3.41Å; L195-F442 HydrophobicContact CD1-CZ 4.05Å; L195-F442 HydrophobicContact CD2-CD1 3.36Å; L195-F442 HydrophobicContact CD2-CE1 3.48Å; L195-F442 VanDerWaalsContact CD2-CE1 3.48Å; L195-F442 HydrophobicContact CG-CD1 4.28Å; L195-F442 HydrophobicContact CG-CE1 4Å; I437-F442 HydrophobicContact CG2-CE2 3.72Å; I437-F442 HydrophobicContact CG2-CZ 3.84Å; D440-F442 VanDerWaalsContact C-N 3.28Å; D440-F442 PolarHBondContact O-N 3.14Å; F442-M444 VanDerWaalsContact C-N 3.28Å; F442-M444 PolarHBondContact O-N 2.96Å; F442-G446 WeakPolarHBondContact CD2-O 3.44Å; F442-H449 HydrophobicContact CB-CB 4.42Å; F442-H449 HydrophobicContact CD1-CB 3.21Å; F442-H449 HydrophobicContact CE1-CB 3.46Å; F442-H449 VanDerWaalsContact CE1-CB 3.46Å; F442-H449 HydrophobicContact CG-CB 3.93Å; F442-H449 HydrophobicContact CZ-CB 4.41Å; F442-K450 HydrophobicContact CD2-CB 4.48Å; F442-K450 HydrophobicContact CE2-CB 3.7Å; F442-K450 HydrophobicContact CE2-CG 4.48Å; F442-K450 HydrophobicContact CZ-CB 3.88Å; F442-I453 HydrophobicContact CE1-CD1 3.82Å; F442-I453 HydrophobicContact CZ-CD1 3.96Å
443P62.7Low80.3Confident95 Ų9544.4 Ų44.462%0.61724%0.236SC*.SBendtrans-66.7-27.3-172.225.2-34.2000113.6
444M64Low80.4Confident130 Ų13044.2 Ų44.264%0.6424%0.235SC*.SBendtrans-137.4131.2-178.3-68.5-69.1172.800109.5F442 G446 H449F442-M444 VanDerWaalsContact C-N 3.28Å; F442-M444 PolarHBondContact O-N 2.96Å; M444-G446 PolarHBondContact O-N 2.97Å; M444-H449 PolarHBondContact O-CE1 2.87Å; M444-H449 PolarHBondContact O-ND1 3.25Å
445N67.3Low80.5Confident124 Ų12444.5 Ų44.566%0.66324%0.237SC*.  trans47.953.1-178.2-61.9-17.5000113I447 Y448 H449N445-I447 VanDerWaalsContact C-N 3.26Å; N445-I447 PolarHBondContact O-N 3.39Å; N445-I447 VanDerWaalsContact O-N 3.1Å; N445-Y448 WeakPolarHBondContact O-CB 3.07Å; N445-Y448 PolarHBondContact O-N 3.23Å; N445-H449 PolarHBondContact O-N 2.85Å; N445-H449 PolarHBondContact O-ND1 3.49Å
446G72.8Confident80.9Confident15 Ų1543.6 Ų43.616%0.15523%0.231CC..Hα-helixtrans-17.2-67.5167.500000115.1F442 M444 Y448 K450F442-G446 WeakPolarHBondContact CD2-O 3.44Å; M444-G446 PolarHBondContact O-N 2.97Å; G446-Y448 PolarHBondContact O-N 3.31Å; G446-K450 WeakPolarHBondContact O-CB 3.39Å; G446-K450 PolarHBondContact O-N 3.04Å; G446-K450 VanDerWaalsContact O-N 3.16Å
447I80Confident81.5Confident98 Ų9840.7 Ų40.750%0.50322%0.216SC..Hα-helixtrans-65.2-39-172.2-60.6159.5000111.7N445 N451N445-I447 VanDerWaalsContact C-N 3.26Å; N445-I447 PolarHBondContact O-N 3.39Å; N445-I447 VanDerWaalsContact O-N 3.1Å; I447-N451 VanDerWaalsContact O-CB 3.26Å; I447-N451 WeakPolarHBondContact O-CB 3.4Å; I447-N451 PolarHBondContact O-N 2.86Å; I447-N451 PolarHBondContact O-ND2 3.28Å; I447-N451 PolarHBondContact O-OD1 2.91Å; I447-N451 VanDerWaalsContact O-OD1 3.13Å
448Y84.5Confident81.9Confident60 Ų6041.1 Ų41.124%0.23522%0.219CC..Hα-helixtrans-65-47.7-177.6177.8-104.2000111.9P187 L189 E374 N445 G446 N451 I452P187-Y448 VanDerWaalsContact CG-OH 3.26Å; P187-Y448 WeakPolarHBondContact CG-OH 3.37Å; L189-Y448 HydrophobicContact CD2-CE1 4.34Å; E374-Y448 HydrophobicContact CB-CD2 4.24Å; E374-Y448 HydrophobicContact CB-CE2 4.12Å; E374-Y448 HydrophobicContact CG-CD2 3.86Å; E374-Y448 HydrophobicContact CG-CE2 4.15Å; N445-Y448 WeakPolarHBondContact O-CB 3.07Å; N445-Y448 PolarHBondContact O-N 3.23Å; G446-Y448 PolarHBondContact O-N 3.31Å; Y448-N451 PolarHBondContact O-N 3.4Å; Y448-I452 HydrophobicContact CD1-CD1 3.81Å; Y448-I452 HydrophobicContact CE1-CD1 3.26Å; Y448-I452 HydrophobicContact CE1-CG1 4.4Å; Y448-I452 HydrophobicContact CE2-CD1 4.15Å; Y448-I452 HydrophobicContact CG-CD1 4.46Å; Y448-I452 VanDerWaalsContact CZ-CD1 3.46Å; Y448-I452 WeakPolarHBondContact O-CG1 3.43Å; Y448-I452 PolarHBondContact O-N 3.18Å
449H85.7Confident82.6Confident13 Ų1342 Ų426%0.0622%0.218CC..Hα-helixtrans-70.5-39.8-178.7-65.897.4000112.2M191 F442 M444 N445 N451 I452 I453M191-H449 HydrophobicContact CE-CB 4.04Å; F442-H449 HydrophobicContact CB-CB 4.42Å; F442-H449 HydrophobicContact CD1-CB 3.21Å; F442-H449 HydrophobicContact CE1-CB 3.46Å; F442-H449 VanDerWaalsContact CE1-CB 3.46Å; F442-H449 HydrophobicContact CG-CB 3.93Å; F442-H449 HydrophobicContact CZ-CB 4.41Å; M444-H449 PolarHBondContact O-CE1 2.87Å; M444-H449 PolarHBondContact O-ND1 3.25Å; N445-H449 PolarHBondContact O-N 2.85Å; N445-H449 PolarHBondContact O-ND1 3.49Å; H449-N451 VanDerWaalsContact C-N 3.29Å; H449-N451 PolarHBondContact O-N 3.36Å; H449-I452 PolarHBondContact O-N 3.2Å; H449-I453 PolarHBondContact O-N 3.35Å
450K88.2Confident83.7Confident22 Ų2237.5 Ų37.510%0.09620%0.197CC..Hα-helixtrans-56.2-47.1170.1179.9179.5171176.70110.7I437 E439 F442 G446 I452 I453 V454I437-K450 WeakPolarHBondContact O-CE 3.49Å; I437-K450 PolarHBondContact O-NZ 2.84Å; E439-K450 HydrophobicContact CG-CD 3.61Å; E439-K450 IonicContact OE1-NZ 3.34Å; E439-K450 PolarHBondContact OE1-NZ 3.13Å; F442-K450 HydrophobicContact CD2-CB 4.48Å; F442-K450 HydrophobicContact CE2-CB 3.7Å; F442-K450 HydrophobicContact CE2-CG 4.48Å; F442-K450 HydrophobicContact CZ-CB 3.88Å; G446-K450 WeakPolarHBondContact O-CB 3.39Å; G446-K450 PolarHBondContact O-N 3.04Å; G446-K450 VanDerWaalsContact O-N 3.16Å; K450-I452 VanDerWaalsContact C-N 3.33Å; K450-I452 PolarHBondContact O-N 3.45Å; K450-I453 PolarHBondContact O-N 3.46Å; K450-I453 VanDerWaalsContact O-N 3.14Å; K450-V454 HydrophobicContact CG-CG2 4.47Å; K450-V454 WeakPolarHBondContact O-CG2 3.29Å; K450-V454 PolarHBondContact O-N 3.47Å
451N90.1Very high84.7Confident7 Ų731.6 Ų31.64%0.03717%0.165CC..Hα-helixtrans-62.9-40.1-179.8-68.6-2.4000111.8Y371 K372 E374 I447 Y448 H449 I453 V454 T455Y371-N451 HydrophobicContact CE1-CB 4.04Å; Y371-N451 WeakPolarHBondContact CE1-OD1 3.39Å; Y371-N451 VanDerWaalsContact CZ-OD1 3.28Å; Y371-N451 PolarHBondContact OH-OD1 2.92Å; K372-N451 PolarHBondContact O-ND2 3.49Å; E374-N451 HydrophobicContact CB-CB 4Å; E374-N451 HydrophobicContact CG-CB 3.65Å; I447-N451 VanDerWaalsContact O-CB 3.26Å; I447-N451 WeakPolarHBondContact O-CB 3.4Å; I447-N451 PolarHBondContact O-N 2.86Å; I447-N451 PolarHBondContact O-ND2 3.28Å; I447-N451 PolarHBondContact O-OD1 2.91Å; I447-N451 VanDerWaalsContact O-OD1 3.13Å; Y448-N451 PolarHBondContact O-N 3.4Å; H449-N451 VanDerWaalsContact C-N 3.29Å; H449-N451 PolarHBondContact O-N 3.36Å; N451-I453 VanDerWaalsContact C-N 3.33Å; N451-I453 PolarHBondContact O-N 3.06Å; N451-V454 PolarHBondContact O-N 3.07Å; N451-T455 WeakPolarHBondContact O-CG2 3.26Å; N451-T455 PolarHBondContact O-N 3.11Å; N451-T455 PolarHBondContact O-OG1 3.29Å
452I92Very high85.5Confident0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-60.6-42173.8-70.6170.5000111.9L189 E374 H376 F379 Y448 H449 K450 T455 T456L189-I452 HydrophobicContact CD2-CD1 3.52Å; E374-I452 HydrophobicContact CB-CG1 3.99Å; H376-I452 HydrophobicContact CB-CD1 4.2Å; H376-I452 HydrophobicContact CB-CG1 4.36Å; H376-I452 HydrophobicContact CB-CG2 4.17Å; F379-I452 HydrophobicContact CD1-CG2 3.89Å; F379-I452 HydrophobicContact CE1-CG2 4.28Å; F379-I452 HydrophobicContact CG-CG2 4.23Å; Y448-I452 HydrophobicContact CD1-CD1 3.81Å; Y448-I452 HydrophobicContact CE1-CD1 3.26Å; Y448-I452 HydrophobicContact CE1-CG1 4.4Å; Y448-I452 HydrophobicContact CE2-CD1 4.15Å; Y448-I452 HydrophobicContact CG-CD1 4.46Å; Y448-I452 VanDerWaalsContact CZ-CD1 3.46Å; Y448-I452 WeakPolarHBondContact O-CG1 3.43Å; Y448-I452 PolarHBondContact O-N 3.18Å; H449-I452 PolarHBondContact O-N 3.2Å; K450-I452 VanDerWaalsContact C-N 3.33Å; K450-I452 PolarHBondContact O-N 3.45Å; I452-T455 WeakPolarHBondContact CA-OG1 3.27Å; I452-T455 PolarHBondContact O-OG1 2.84Å; I452-T456 VanDerWaalsContact O-CB 3.23Å; I452-T456 WeakPolarHBondContact O-CB 3.31Å; I452-T456 PolarHBondContact O-N 3.3Å; I452-T456 PolarHBondContact O-OG1 3.44Å
453I92.6Very high86.5Confident0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-62.5-47.9177.3-73.5171.7000109.8L195 F199 L202 A434 I437 F442 H449 K450 N451 T456 T457L195-I453 HydrophobicContact CD1-CD1 3.92Å; L195-I453 HydrophobicContact CG-CD1 4.32Å; F199-I453 HydrophobicContact CD2-CB 4.45Å; F199-I453 HydrophobicContact CD2-CG1 4.18Å; F199-I453 HydrophobicContact CD2-CG2 3.99Å; L202-I453 HydrophobicContact CD2-CG2 4.04Å; A434-I453 HydrophobicContact CB-CG2 4.11Å; I437-I453 HydrophobicContact CD1-CD1 4.2Å; I437-I453 HydrophobicContact CD1-CG2 3.86Å; F442-I453 HydrophobicContact CE1-CD1 3.82Å; F442-I453 HydrophobicContact CZ-CD1 3.96Å; H449-I453 PolarHBondContact O-N 3.35Å; K450-I453 PolarHBondContact O-N 3.46Å; K450-I453 VanDerWaalsContact O-N 3.14Å; N451-I453 VanDerWaalsContact C-N 3.33Å; N451-I453 PolarHBondContact O-N 3.06Å; I453-T456 PolarHBondContact O-N 3.16Å; I453-T457 HydrophobicContact CG2-CG2 4.44Å; I453-T457 VanDerWaalsContact O-CG2 3.24Å; I453-T457 WeakPolarHBondContact O-CG2 3.36Å; I453-T457 PolarHBondContact O-N 3.06Å; I453-T457 PolarHBondContact O-OG1 2.57Å
454V92Very high88Confident0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-63.9-42.21791760000112Y371 F431 A434 V435 K450 N451 T456 T457 L458Y371-V454 HydrophobicContact CD1-CB 4.41Å; Y371-V454 HydrophobicContact CD1-CG1 3.88Å; Y371-V454 HydrophobicContact CD2-CG1 4.28Å; Y371-V454 HydrophobicContact CE1-CB 3.87Å; Y371-V454 HydrophobicContact CE1-CG1 3.76Å; Y371-V454 HydrophobicContact CE1-CG2 4.33Å; Y371-V454 HydrophobicContact CE2-CG1 4.16Å; Y371-V454 HydrophobicContact CG-CG1 4.15Å; F431-V454 HydrophobicContact CE2-CG1 4.05Å; A434-V454 HydrophobicContact CB-CG2 4.13Å; V435-V454 HydrophobicContact CG2-CG1 4.27Å; V435-V454 HydrophobicContact CG2-CG2 4.33Å; K450-V454 HydrophobicContact CG-CG2 4.47Å; K450-V454 WeakPolarHBondContact O-CG2 3.29Å; K450-V454 PolarHBondContact O-N 3.47Å; N451-V454 PolarHBondContact O-N 3.07Å; V454-T456 VanDerWaalsContact C-N 3.31Å; V454-T456 PolarHBondContact O-N 3.19Å; V454-T457 WeakPolarHBondContact CA-OG1 3.15Å; V454-T457 PolarHBondContact O-OG1 3.15Å; V454-L458 WeakPolarHBondContact O-CB 3.43Å; V454-L458 PolarHBondContact O-N 2.86Å
455T93.8Very high89.2Confident6 Ų626.3 Ų26.34%0.03713%0.132CC..Hα-helixtrans-64-40.1176.857.40000111.8L373 E374 N451 I452 F459L373-T455 HydrophobicContact CB-CG2 3.6Å; L373-T455 HydrophobicContact CD2-CG2 3.58Å; L373-T455 HydrophobicContact CG-CG2 4.16Å; E374-T455 WeakPolarHBondContact O-CB 3.39Å; E374-T455 VanDerWaalsContact O-CG2 3.25Å; E374-T455 WeakPolarHBondContact O-CG2 3.39Å; E374-T455 PolarHBondContact O-OG1 3.35Å; N451-T455 WeakPolarHBondContact O-CG2 3.26Å; N451-T455 PolarHBondContact O-N 3.11Å; N451-T455 PolarHBondContact O-OG1 3.29Å; I452-T455 WeakPolarHBondContact CA-OG1 3.27Å; I452-T455 PolarHBondContact O-OG1 2.84Å; T455-F459 WeakPolarHBondContact O-CB 3.36Å; T455-F459 PolarHBondContact O-N 3.17Å
456T94.8Very high90.1Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-68.6-44.3-179.3-58.80000111.5F199 F379 I380 I452 I453 V454 F459 I460F199-T456 HydrophobicContact CE2-CG2 3.84Å; F199-T456 HydrophobicContact CZ-CG2 3.67Å; F379-T456 HydrophobicContact CD1-CG2 3.75Å; F379-T456 VanDerWaalsContact CD1-OG1 3.24Å; F379-T456 WeakPolarHBondContact CD1-OG1 3.34Å; F379-T456 HydrophobicContact CE1-CG2 3.83Å; I380-T456 HydrophobicContact CG1-CG2 4.22Å; I380-T456 WeakPolarHBondContact CG1-OG1 3.34Å; I452-T456 VanDerWaalsContact O-CB 3.23Å; I452-T456 WeakPolarHBondContact O-CB 3.31Å; I452-T456 PolarHBondContact O-N 3.3Å; I452-T456 PolarHBondContact O-OG1 3.44Å; I453-T456 PolarHBondContact O-N 3.16Å; V454-T456 VanDerWaalsContact C-N 3.31Å; V454-T456 PolarHBondContact O-N 3.19Å; T456-F459 PolarHBondContact O-N 3.33Å; T456-I460 HydrophobicContact CG2-CD1 3.79Å; T456-I460 HydrophobicContact CG2-CG1 4.44Å; T456-I460 VanDerWaalsContact O-CG1 3.25Å; T456-I460 WeakPolarHBondContact O-CG1 3.1Å; T456-I460 PolarHBondContact O-N 3.35Å
457T94.7Very high90.9Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-64.6-43.5177.355.80000110.8F199 L202 I203 A434 I453 V454 F459 I460 I461F199-T457 HydrophobicContact CD2-CG2 4.43Å; F199-T457 HydrophobicContact CE2-CG2 3.87Å; L202-T457 HydrophobicContact CD1-CG2 3.22Å; I203-T457 HydrophobicContact CD1-CG2 4.35Å; A434-T457 HydrophobicContact CB-CG2 3.89Å; A434-T457 WeakPolarHBondContact CB-OG1 3.31Å; I453-T457 HydrophobicContact CG2-CG2 4.44Å; I453-T457 VanDerWaalsContact O-CG2 3.24Å; I453-T457 WeakPolarHBondContact O-CG2 3.36Å; I453-T457 PolarHBondContact O-N 3.06Å; I453-T457 PolarHBondContact O-OG1 2.57Å; V454-T457 WeakPolarHBondContact CA-OG1 3.15Å; V454-T457 PolarHBondContact O-OG1 3.15Å; T457-F459 VanDerWaalsContact C-N 3.34Å; T457-F459 PolarHBondContact O-N 3.31Å; T457-I460 PolarHBondContact O-N 2.86Å; T457-I461 WeakPolarHBondContact O-CB 3.28Å; T457-I461 WeakPolarHBondContact O-CD1 3.33Å; T457-I461 VanDerWaalsContact O-CG1 3.22Å; T457-I461 WeakPolarHBondContact O-CG1 3.41Å; T457-I461 PolarHBondContact O-N 3.4Å
458L93.1Very high91.4Very high9 Ų922 Ų225%0.04710%0.103CC..Hα-helixtrans-59.8-44.3176-172.8145.5000111.7V368 F431 V454 I461 L462V368-L458 HydrophobicContact CB-CD1 4.33Å; V368-L458 HydrophobicContact CB-CD2 4.38Å; V368-L458 HydrophobicContact CG1-CD2 4.15Å; V368-L458 HydrophobicContact CG2-CD1 3.87Å; V368-L458 HydrophobicContact CG2-CD2 3.89Å; V368-L458 HydrophobicContact CG2-CG 4.21Å; F431-L458 HydrophobicContact CE2-CD1 4.15Å; V454-L458 WeakPolarHBondContact O-CB 3.43Å; V454-L458 PolarHBondContact O-N 2.86Å; L458-I461 PolarHBondContact O-N 2.94Å; L458-L462 WeakPolarHBondContact O-CB 3.31Å; L458-L462 PolarHBondContact O-N 3.16Å
459F94.6Very high91.6Very high65 Ų6519.4 Ų19.429%0.2859%0.094SC..Hα-helixtrans-63.2-46.1176.5-179.5-91.3000112W375 I380 L384 T455 T456 T457 I461 L462 F463W375-F459 AromaticContact CH2-CD2 3.9Å; W375-F459 HydrophobicContact CH2-CD2 3.9Å; W375-F459 AromaticContact CH2-CE2 3.93Å; W375-F459 HydrophobicContact CH2-CE2 3.93Å; W375-F459 HydrophobicContact CZ3-CD2 4.17Å; I380-F459 HydrophobicContact CG2-CB 4.1Å; I380-F459 HydrophobicContact CG2-CD1 3.14Å; I380-F459 HydrophobicContact CG2-CD2 4.36Å; I380-F459 HydrophobicContact CG2-CE1 3.53Å; I380-F459 HydrophobicContact CG2-CG 3.6Å; I380-F459 HydrophobicContact CG2-CZ 4.29Å; L384-F459 HydrophobicContact CD1-CD1 4.35Å; L384-F459 HydrophobicContact CD1-CE1 3.74Å; T455-F459 WeakPolarHBondContact O-CB 3.36Å; T455-F459 PolarHBondContact O-N 3.17Å; T456-F459 PolarHBondContact O-N 3.33Å; T457-F459 VanDerWaalsContact C-N 3.34Å; T457-F459 PolarHBondContact O-N 3.31Å; F459-I461 VanDerWaalsContact C-N 3.33Å; F459-I461 PolarHBondContact O-N 3.5Å; F459-L462 PolarHBondContact O-N 3.03Å; F459-F463 VanDerWaalsContact O-CB 3.31Å; F459-F463 WeakPolarHBondContact O-CB 3.43Å; F459-F463 PolarHBondContact O-N 2.95Å
460I95.5Very high91.7Very high1 Ų122.2 Ų22.21%0.00511%0.109CC..Hα-helixtrans-63.7-40.1179.3-66.1166.7000110.8F199 I203 L384 R426 T456 T457 F463 T464F199-I460 HydrophobicContact CZ-CD1 4.21Å; I203-I460 HydrophobicContact CD1-CB 4.19Å; I203-I460 HydrophobicContact CD1-CD1 3.97Å; I203-I460 HydrophobicContact CD1-CG2 3.96Å; I203-I460 HydrophobicContact CG1-CD1 4.05Å; L384-I460 HydrophobicContact CB-CG1 4.25Å; R426-I460 HydrophobicContact CB-CG2 4.27Å; R426-I460 HydrophobicContact CG-CG2 3.73Å; T456-I460 HydrophobicContact CG2-CD1 3.79Å; T456-I460 HydrophobicContact CG2-CG1 4.44Å; T456-I460 VanDerWaalsContact O-CG1 3.25Å; T456-I460 WeakPolarHBondContact O-CG1 3.1Å; T456-I460 PolarHBondContact O-N 3.35Å; T457-I460 PolarHBondContact O-N 2.86Å; I460-F463 PolarHBondContact O-N 3.45Å; I460-T464 HydrophobicContact CG2-CG2 4.26Å; I460-T464 WeakPolarHBondContact O-CB 3.37Å; I460-T464 WeakPolarHBondContact O-CG2 3.32Å; I460-T464 PolarHBondContact O-N 3.19Å; I460-T464 PolarHBondContact O-OG1 3.06Å
461I93.3Very high91.7Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-65.8-47.6176.4-65.5160.9000110.4L364 R426 G427 A430 F431 T457 L458 F459 F463 T464 V465L364-I461 HydrophobicContact CD1-CB 4.43Å; L364-I461 HydrophobicContact CD1-CD1 4.19Å; L364-I461 HydrophobicContact CD1-CG2 3.65Å; R426-I461 HydrophobicContact CB-CG1 3.83Å; G427-I461 VanDerWaalsContact O-CD1 3.23Å; G427-I461 WeakPolarHBondContact O-CD1 3.31Å; A430-I461 HydrophobicContact CB-CD1 4.36Å; F431-I461 HydrophobicContact CB-CD1 3.59Å; T457-I461 WeakPolarHBondContact O-CB 3.28Å; T457-I461 WeakPolarHBondContact O-CD1 3.33Å; T457-I461 VanDerWaalsContact O-CG1 3.22Å; T457-I461 WeakPolarHBondContact O-CG1 3.41Å; T457-I461 PolarHBondContact O-N 3.4Å; L458-I461 PolarHBondContact O-N 2.94Å; F459-I461 VanDerWaalsContact C-N 3.33Å; F459-I461 PolarHBondContact O-N 3.5Å; I461-F463 VanDerWaalsContact C-N 3.28Å; I461-F463 PolarHBondContact O-N 2.93Å; I461-T464 PolarHBondContact O-N 2.96Å; I461-T464 PolarHBondContact O-OG1 3.16Å; I461-V465 HydrophobicContact CG2-CG2 3.9Å; I461-V465 WeakPolarHBondContact O-CB 3.42Å; I461-V465 WeakPolarHBondContact O-CG2 3.25Å; I461-V465 PolarHBondContact O-N 3.45Å
462L92.5Very high91.6Very high59 Ų5922.6 Ų22.631%0.30911%0.114SC..Hα-helixtrans-60.6-39.7177.8-171.271.1000111.6I97 L458 F459 G466I97-L462 HydrophobicContact CG2-CD1 3.97Å; L458-L462 WeakPolarHBondContact O-CB 3.31Å; L458-L462 PolarHBondContact O-N 3.16Å; F459-L462 PolarHBondContact O-N 3.03Å; L462-G466 WeakPolarHBondContact O-CA 3.22Å; L462-G466 PolarHBondContact O-N 2.96Å
463F93.4Very high91.1Very high65 Ų6525.2 Ų25.229%0.28513%0.125SC..Hα-helixtrans-66.9-48.7175.6-177.1-90.7000111.7L384 F459 I460 I461 F467 M468L384-F463 HydrophobicContact CD1-CB 4.09Å; L384-F463 HydrophobicContact CD1-CD1 3.57Å; L384-F463 HydrophobicContact CD1-CD2 4.05Å; L384-F463 HydrophobicContact CD1-CE1 3.96Å; L384-F463 HydrophobicContact CD1-CE2 4.39Å; L384-F463 HydrophobicContact CD1-CG 3.61Å; L384-F463 HydrophobicContact CD1-CZ 4.35Å; L384-F463 HydrophobicContact CD2-CE1 4.27Å; L384-F463 HydrophobicContact CG-CD1 4.25Å; L384-F463 HydrophobicContact CG-CE1 4.43Å; F459-F463 VanDerWaalsContact O-CB 3.31Å; F459-F463 WeakPolarHBondContact O-CB 3.43Å; F459-F463 PolarHBondContact O-N 2.95Å; I460-F463 PolarHBondContact O-N 3.45Å; I461-F463 VanDerWaalsContact C-N 3.28Å; I461-F463 PolarHBondContact O-N 2.93Å; F463-F467 HydrophobicContact CD2-CB 4.4Å; F463-F467 HydrophobicContact CE1-CD1 4.24Å; F463-F467 HydrophobicContact CE2-CB 4.3Å; F463-F467 HydrophobicContact CE2-CD1 4.37Å; F463-F467 HydrophobicContact CE2-CG 4.37Å; F463-F467 HydrophobicContact CZ-CB 4.44Å; F463-F467 AromaticContact CZ-CD1 3.86Å; F463-F467 HydrophobicContact CZ-CD1 3.86Å; F463-F467 HydrophobicContact CZ-CE1 4.45Å; F463-F467 HydrophobicContact CZ-CG 4.3Å; F463-F467 WeakPolarHBondContact O-CA 2.88Å; F463-F467 WeakPolarHBondContact O-CB 3.02Å; F463-F467 PolarHBondContact O-N 2.76Å; F463-M468 PolarHBondContact O-N 3.38Å
464T92.8Very high90.8Very high2 Ų228.8 Ų28.81%0.01215%0.148CC..Iπ-helixtrans-68.8-55.2-178.452.30000111.2L425 R426 I460 I461 G466 M468 G469L425-T464 VanDerWaalsContact CD2-C 3.5Å; L425-T464 WeakPolarHBondContact CD2-O 3.37Å; R426-T464 HydrophobicContact CG-CG2 4.33Å; R426-T464 PolarHBondContact N-OG1 3.34Å; R426-T464 VanDerWaalsContact N-OG1 3.15Å; I460-T464 HydrophobicContact CG2-CG2 4.26Å; I460-T464 WeakPolarHBondContact O-CB 3.37Å; I460-T464 WeakPolarHBondContact O-CG2 3.32Å; I460-T464 PolarHBondContact O-N 3.19Å; I460-T464 PolarHBondContact O-OG1 3.06Å; I461-T464 PolarHBondContact O-N 2.96Å; I461-T464 PolarHBondContact O-OG1 3.16Å; T464-G466 VanDerWaalsContact C-N 3.33Å; T464-G466 PolarHBondContact O-N 2.8Å; T464-M468 HydrophobicContact CG2-SD 4.16Å; T464-M468 CarbonylContact O-C 3.6Å; T464-M468 VanDerWaalsContact O-CA 3.29Å; T464-M468 WeakPolarHBondContact O-CA 3.36Å; T464-M468 WeakPolarHBondContact O-CB 3.17Å; T464-M468 PolarHBondContact O-N 3.45Å; T464-G469 PolarHBondContact O-N 3.4Å
465V89.3Confident90.5Very high7 Ų730.5 Ų30.54%0.04216%0.157CC..Iπ-helixtrans-62.7-39.4178.3178.80000111.9L94 I97 R426 I461 G469L94-V465 HydrophobicContact CB-CG1 4.46Å; I97-V465 HydrophobicContact CD1-CG1 4.08Å; R426-V465 VanDerWaalsContact O-CG2 3.29Å; R426-V465 WeakPolarHBondContact O-CG2 3.36Å; I461-V465 HydrophobicContact CG2-CG2 3.9Å; I461-V465 WeakPolarHBondContact O-CB 3.42Å; I461-V465 WeakPolarHBondContact O-CG2 3.25Å; I461-V465 PolarHBondContact O-N 3.45Å; V465-G469 VanDerWaalsContact O-CA 3.26Å; V465-G469 WeakPolarHBondContact O-CA 3.29Å; V465-G469 PolarHBondContact O-N 3.42Å
466G87.4Confident89.9Confident11 Ų1130.4 Ų30.411%0.11316%0.156CC..Iπ-helixtrans-74.7-64.3-179.600000112.9L462 T464 I470L462-G466 WeakPolarHBondContact O-CA 3.22Å; L462-G466 PolarHBondContact O-N 2.96Å; T464-G466 VanDerWaalsContact C-N 3.33Å; T464-G466 PolarHBondContact O-N 2.8Å; G466-I470 WeakPolarHBondContact O-CB 3.47Å; G466-I470 VanDerWaalsContact O-CD1 3.23Å; G466-I470 WeakPolarHBondContact O-CD1 3.18Å; G466-I470 WeakPolarHBondContact O-CG1 3.25Å; G466-I470 PolarHBondContact O-N 3.12Å
467F90Very high89.2Confident116 Ų11637.4 Ų37.451%0.50919%0.187SC..Iπ-helixtrans-73.4-58.2-176.5-176.4-103000111.3F463 G469 I470 T471F463-F467 HydrophobicContact CD2-CB 4.4Å; F463-F467 HydrophobicContact CE1-CD1 4.24Å; F463-F467 HydrophobicContact CE2-CB 4.3Å; F463-F467 HydrophobicContact CE2-CD1 4.37Å; F463-F467 HydrophobicContact CE2-CG 4.37Å; F463-F467 HydrophobicContact CZ-CB 4.44Å; F463-F467 AromaticContact CZ-CD1 3.86Å; F463-F467 HydrophobicContact CZ-CD1 3.86Å; F463-F467 HydrophobicContact CZ-CE1 4.45Å; F463-F467 HydrophobicContact CZ-CG 4.3Å; F463-F467 WeakPolarHBondContact O-CA 2.88Å; F463-F467 WeakPolarHBondContact O-CB 3.02Å; F463-F467 PolarHBondContact O-N 2.76Å; F467-G469 PolarHBondContact O-N 2.93Å; F467-I470 PolarHBondContact O-N 3.12Å; F467-T471 WeakPolarHBondContact O-CG2 3.24Å; F467-T471 PolarHBondContact O-N 2.86Å; F467-T471 PolarHBondContact O-OG1 3.32Å
468M89.9Confident88.7Confident20 Ų2044 Ų4410%0.09922%0.221CC..Iπ-helixtrans-69.7-32.3-177-61.2-176157.400112.9L388 Y422 L425 F463 T464 T471 I472L388-M468 HydrophobicContact CD1-CE 3.6Å; L388-M468 HydrophobicContact CD2-CE 3.4Å; L388-M468 HydrophobicContact CD2-SD 3.93Å; L388-M468 HydrophobicContact CG-CE 4.14Å; Y422-M468 HydrophobicContact CE1-CB 4.07Å; Y422-M468 HydrophobicContact CE1-CG 4.47Å; Y422-M468 HydrophobicContact CE2-CE 4.46Å; L425-M468 HydrophobicContact CD2-CB 3.53Å; F463-M468 PolarHBondContact O-N 3.38Å; T464-M468 HydrophobicContact CG2-SD 4.16Å; T464-M468 CarbonylContact O-C 3.6Å; T464-M468 VanDerWaalsContact O-CA 3.29Å; T464-M468 WeakPolarHBondContact O-CA 3.36Å; T464-M468 WeakPolarHBondContact O-CB 3.17Å; T464-M468 PolarHBondContact O-N 3.45Å; M468-T471 VanDerWaalsContact CA-OG1 3.29Å; M468-T471 WeakPolarHBondContact CA-OG1 3.34Å; M468-T471 PolarHBondContact O-N 3.02Å; M468-T471 PolarHBondContact O-OG1 2.8Å; M468-I472 PolarHBondContact O-N 2.83Å
469G88Confident88.1Confident4 Ų445.2 Ų45.24%0.04123%0.228CC..Hα-helixtrans-69.3-28.4176.500000114.3T464 V465 F467 I472T464-G469 PolarHBondContact O-N 3.4Å; V465-G469 VanDerWaalsContact O-CA 3.26Å; V465-G469 WeakPolarHBondContact O-CA 3.29Å; V465-G469 PolarHBondContact O-N 3.42Å; F467-G469 PolarHBondContact O-N 2.93Å; G469-I472 WeakPolarHBondContact O-CG2 3.28Å
470I87.7Confident87Confident73 Ų7351.1 Ų51.137%0.37425%0.253SS..Hα-helixtrans-78.1-40.8172.3-68.9170.6000110.7P91 L94 G466 F467 P474P91-I470 HydrophobicContact CG-CG1 4.49Å; L94-I470 HydrophobicContact CD2-CD1 3.6Å; L94-I470 HydrophobicContact CD2-CG1 4Å; G466-I470 WeakPolarHBondContact O-CB 3.47Å; G466-I470 VanDerWaalsContact O-CD1 3.23Å; G466-I470 WeakPolarHBondContact O-CD1 3.18Å; G466-I470 WeakPolarHBondContact O-CG1 3.25Å; G466-I470 PolarHBondContact O-N 3.12Å; F467-I470 PolarHBondContact O-N 3.12Å; I470-P474 WeakPolarHBondContact O-CD 3.2Å
471T89.6Confident85.6Confident36 Ų3652.7 Ų52.722%0.22126%0.261CS..Hα-helixtrans-82.2-12.4-172.951.50000114.4Y422 F467 M468 K473 P474 L475Y422-T471 WeakPolarHBondContact CE1-OG1 2.97Å; Y422-T471 WeakPolarHBondContact OH-CB 3.48Å; Y422-T471 PolarHBondContact OH-OG1 3.26Å; F467-T471 WeakPolarHBondContact O-CG2 3.24Å; F467-T471 PolarHBondContact O-N 2.86Å; F467-T471 PolarHBondContact O-OG1 3.32Å; M468-T471 VanDerWaalsContact CA-OG1 3.29Å; M468-T471 WeakPolarHBondContact CA-OG1 3.34Å; M468-T471 PolarHBondContact O-N 3.02Å; M468-T471 PolarHBondContact O-OG1 2.8Å; T471-K473 VanDerWaalsContact C-N 3.32Å; T471-K473 PolarHBondContact O-N 3.27Å; T471-P474 WeakPolarHBondContact O-CD 3.22Å; T471-P474 WeakPolarHBondContact O-CG 3.43Å; T471-L475 WeakPolarHBondContact O-CB 3.49Å; T471-L475 PolarHBondContact O-N 3.15Å; T471-L475 VanDerWaalsContact O-N 3.14Å
472I86.6Confident84Confident1 Ų162.6 Ų62.61%0.00530%0.298CS..Hα-helixtrans-62.3-37.6176.8179.470.2000112.1V211 I214 Y422 M468 G469 L475 M476V211-I472 HydrophobicContact CG2-CD1 4.19Å; V211-I472 HydrophobicContact CG2-CG1 3.99Å; I214-I472 HydrophobicContact CD1-CB 4.28Å; I214-I472 HydrophobicContact CD1-CG1 4.18Å; I214-I472 HydrophobicContact CD1-CG2 3.35Å; Y422-I472 HydrophobicContact CD1-CB 4.29Å; Y422-I472 HydrophobicContact CD1-CD1 3.83Å; Y422-I472 HydrophobicContact CE1-CB 4.32Å; M468-I472 PolarHBondContact O-N 2.83Å; G469-I472 WeakPolarHBondContact O-CG2 3.28Å; I472-L475 HydrophobicContact CD1-CD2 4.4Å; I472-L475 WeakPolarHBondContact O-CB 3.47Å; I472-L475 PolarHBondContact O-N 2.8Å; I472-M476 HydrophobicContact CD1-CG 4.05Å; I472-M476 HydrophobicContact CD1-SD 4.49Å; I472-M476 HydrophobicContact CG1-CG 4.12Å; I472-M476 WeakPolarHBondContact O-CB 3.39Å; I472-M476 WeakPolarHBondContact O-CG 3.44Å; I472-M476 PolarHBondContact O-N 3.26Å
473K82.6Confident82.6Confident55 Ų5566.4 Ų66.424%0.23931%0.313CS..Hα-helixtrans-63.4-50.2-179.4-167.2172.4-176.9175.60113S88 I214 T471 L475 M476 K477S88-K473 PolarHBondContact O-NZ 3.14Å; I214-K473 HydrophobicContact CD1-CB 3.85Å; I214-K473 HydrophobicContact CD1-CG 4.47Å; T471-K473 VanDerWaalsContact C-N 3.32Å; T471-K473 PolarHBondContact O-N 3.27Å; K473-L475 VanDerWaalsContact C-N 3.33Å; K473-M476 PolarHBondContact O-N 3.46Å; K473-K477 PolarHBondContact O-N 2.82Å
474P85.5Confident80.9Confident75 Ų7568.1 Ų68.149%0.48732%0.32SS..Hα-helixtrans-65.2-35.4173.722.9-31.4000112.6I470 T471 M476 K477 L478I470-P474 WeakPolarHBondContact O-CD 3.2Å; T471-P474 WeakPolarHBondContact O-CD 3.22Å; T471-P474 WeakPolarHBondContact O-CG 3.43Å; P474-M476 PolarHBondContact O-N 2.84Å; P474-K477 PolarHBondContact O-N 2.85Å; P474-L478 PolarHBondContact O-N 3.34Å
475L86.5Confident79.2Confident35 Ų3574.9 Ų74.918%0.18336%0.356CS..Hα-helixtrans-59.5-47.1175.5-177.967.6000111.6Y422 T471 I472 K473 K477 L478 L479Y422-L475 HydrophobicContact CD1-CD2 3.41Å; Y422-L475 VanDerWaalsContact CD1-CD2 3.41Å; Y422-L475 HydrophobicContact CD2-CD2 3.84Å; Y422-L475 HydrophobicContact CE1-CD2 3.9Å; Y422-L475 HydrophobicContact CE2-CD2 4.3Å; Y422-L475 HydrophobicContact CG-CD2 3.36Å; T471-L475 WeakPolarHBondContact O-CB 3.49Å; T471-L475 PolarHBondContact O-N 3.15Å; T471-L475 VanDerWaalsContact O-N 3.14Å; I472-L475 HydrophobicContact CD1-CD2 4.4Å; I472-L475 WeakPolarHBondContact O-CB 3.47Å; I472-L475 PolarHBondContact O-N 2.8Å; K473-L475 VanDerWaalsContact C-N 3.33Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.36Å; L475-L478 WeakPolarHBondContact O-CB 3.32Å; L475-L478 PolarHBondContact O-N 3.03Å; L475-L478 VanDerWaalsContact O-N 3.1Å; L475-L479 HydrophobicContact CD1-CD1 3.59Å; L475-L479 HydrophobicContact CG-CD1 3.99Å; L475-L479 VanDerWaalsContact O-CD1 3.26Å; L475-L479 WeakPolarHBondContact O-CD1 3.13Å; L475-L479 PolarHBondContact O-N 3.42Å
476M80.5Confident77.6Confident5 Ų582.8 Ų82.83%0.02539%0.392CS..Hα-helixtrans-60.8-39178-73.3-69.6-67.400112.6I214 F215 I218 V220 I419 I472 K473 P474 L478 L479 I481I214-M476 HydrophobicContact CG2-CG 4.3Å; F215-M476 HydrophobicContact CD1-CE 3.54Å; F215-M476 HydrophobicContact CD1-SD 4.45Å; F215-M476 HydrophobicContact CE1-CE 3.29Å; F215-M476 HydrophobicContact CE1-SD 3.74Å; F215-M476 HydrophobicContact CZ-CE 4.4Å; I218-M476 HydrophobicContact CD1-CB 4.03Å; I218-M476 HydrophobicContact CD1-CE 4.41Å; V220-M476 HydrophobicContact CG2-CE 3.86Å; I419-M476 HydrophobicContact CD1-SD 3.9Å; I419-M476 HydrophobicContact CG1-SD 3.84Å; I419-M476 HydrophobicContact CG2-SD 3.91Å; I472-M476 HydrophobicContact CD1-CG 4.05Å; I472-M476 HydrophobicContact CD1-SD 4.49Å; I472-M476 HydrophobicContact CG1-CG 4.12Å; I472-M476 WeakPolarHBondContact O-CB 3.39Å; I472-M476 WeakPolarHBondContact O-CG 3.44Å; I472-M476 PolarHBondContact O-N 3.26Å; K473-M476 PolarHBondContact O-N 3.46Å; P474-M476 PolarHBondContact O-N 2.84Å; M476-L478 VanDerWaalsContact C-N 3.34Å; M476-L479 PolarHBondContact O-N 2.97Å; M476-I481 HydrophobicContact CB-CD1 4.45Å; M476-I481 HydrophobicContact CE-CD1 3.18Å; M476-I481 HydrophobicContact SD-CD1 3.27Å; M476-I481 WeakPolarHBondContact SD-CD1 3.44Å
477K80.2Confident76Confident147 Ų14789 Ų8964%0.63942%0.418SS*.Hα-helixtrans-65.1-38.8174.6-71.4-178.9178.4-174.90111.8K473 P474 L475K473-K477 PolarHBondContact O-N 2.82Å; P474-K477 PolarHBondContact O-N 2.85Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.36Å
478L83.3Confident74.3Confident138 Ų13890.1 Ų90.172%0.72342%0.423SS*.Hα-helixtrans-66.7-39.3178.1-175.765.2000112.1P474 L475 M476 K480P474-L478 PolarHBondContact O-N 3.34Å; L475-L478 WeakPolarHBondContact O-CB 3.32Å; L475-L478 PolarHBondContact O-N 3.03Å; L475-L478 VanDerWaalsContact O-N 3.1Å; M476-L478 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 3.16Å
479L81.1Confident72.7Confident35 Ų3591.9 Ų91.918%0.18343%0.432CS..THydrogen-bonded Turntrans-74.3-4.3-176.9-92.571.4000114.7S415 I418 I419 L475 M476 I481S415-L479 WeakPolarHBondContact O-CD2 3.41Å; I418-L479 HydrophobicContact CB-CD2 4.2Å; I418-L479 HydrophobicContact CG2-CD2 4.06Å; I419-L479 HydrophobicContact CD1-CD2 4.17Å; I419-L479 HydrophobicContact CG1-CD2 3.8Å; L475-L479 HydrophobicContact CD1-CD1 3.59Å; L475-L479 HydrophobicContact CG-CD1 3.99Å; L475-L479 VanDerWaalsContact O-CD1 3.26Å; L475-L479 WeakPolarHBondContact O-CD1 3.13Å; L475-L479 PolarHBondContact O-N 3.42Å; M476-L479 PolarHBondContact O-N 2.97Å; L479-I481 VanDerWaalsContact C-N 3.3Å; L479-I481 HydrophobicContact CB-CD1 4.09Å; L479-I481 HydrophobicContact CB-CG1 4.01Å; L479-I481 PolarHBondContact O-N 3.46Å
480K71.4Confident71.5Confident189 Ų18993 Ų9382%0.82244%0.44SS*.THydrogen-bonded Turntrans41.951.9178.3-68.3-173.5178.7-179.70113.6L478L478-K480 PolarHBondContact O-N 3.16Å
481I66.9Low70.5Confident33 Ų3392.3 Ų92.317%0.16944%0.436CS..PPolyproline II helixtrans-67.3142.1-174.2-61.6142.9000110.3V220 I419 M476 L479 K483V220-I481 HydrophobicContact CG1-CG2 4.01Å; I419-I481 HydrophobicContact CD1-CD1 3.21Å; I419-I481 HydrophobicContact CD1-CG1 3.68Å; I419-I481 HydrophobicContact CG1-CD1 4.16Å; M476-I481 HydrophobicContact CB-CD1 4.45Å; M476-I481 HydrophobicContact CE-CD1 3.18Å; M476-I481 HydrophobicContact SD-CD1 3.27Å; M476-I481 WeakPolarHBondContact SD-CD1 3.44Å; L479-I481 VanDerWaalsContact C-N 3.3Å; L479-I481 HydrophobicContact CB-CD1 4.09Å; L479-I481 HydrophobicContact CB-CG1 4.01Å; L479-I481 PolarHBondContact O-N 3.46Å; I481-K483 PolarHBondContact O-N 3.38Å; I481-K483 VanDerWaalsContact O-N 3.16Å
482R59.3Low69.6Low208 Ų20896.5 Ų96.579%0.78545%0.452SS*.PPolyproline II helixtrans-56.9118.9173.1-68.2-177.6179.9-172.5-1.4108.9
483K62.6Low68.8Low140 Ų140101.4 Ų101.461%0.60947%0.474SS*.BIsolated β-bridgetrans-72.8151.9169.8-66-176.3178.8-176.40108.5I218 G219 I481 D485I218-K483 HydrophobicContact CG2-CG 4.34Å; G219-K483 CarbonylContact O-C 3.54Å; G219-K483 WeakPolarHBondContact O-CA 3.35Å; I481-K483 PolarHBondContact O-N 3.38Å; I481-K483 VanDerWaalsContact O-N 3.16Å; K483-D485 PolarHBondContact O-N 3.49Å; K483-D485 VanDerWaalsContact O-N 3.12Å
484K58.6Low68.2Low101 Ų101101.2 Ų101.244%0.43948%0.476SS..PPolyproline II helixtrans-56.9117.1169.8-175.3178.8-179.8-177.80107.8G219 H486G219-K484 PolarHBondContact O-N 2.91Å; K484-H486 PolarHBondContact O-N 3.35Å
485D56.7Low67.7Low144 Ų144101.3 Ų101.377%0.7747%0.471SS*.PPolyproline II helixtrans-57.7130.3169.4-70.4-36.4000107.7K483 E487K483-D485 PolarHBondContact O-N 3.49Å; K483-D485 VanDerWaalsContact O-N 3.12Å; D485-E487 VanDerWaalsContact C-N 3.32Å; D485-E487 PolarHBondContact O-N 3.46Å
486H54.7Low67.3Low172 Ų172102.3 Ų102.380%0.79648%0.477SS*.  trans-61.8100171.7-73.5-73.1000107.3K484 K488K484-H486 PolarHBondContact O-N 3.35Å; H486-K488 PolarHBondContact O-N 3.45Å
487E54.6Low67Low141 Ų141106.6 Ų106.666%0.65950%0.495SS*.  trans-55.3107.6174-87.9-177146.400107.9D485 L489D485-E487 VanDerWaalsContact C-N 3.32Å; D485-E487 PolarHBondContact O-N 3.46Å; E487-L489 PolarHBondContact O-N 2.9Å
488K54.1Low66.8Low141 Ų141101.1 Ų101.161%0.61347%0.473SS*.  trans-63.7121.7168.6-67.8-177.5-179.3179.30106.2H486 S490H486-K488 PolarHBondContact O-N 3.45Å; K488-S490 VanDerWaalsContact C-N 3.26Å; K488-S490 PolarHBondContact O-N 2.78Å
489L55.8Low66.6Low57 Ų5798.8 Ų98.830%0.29846%0.461SS..  trans-64.190.4177-81.1141.2000108.2E487 V549 N573 P575E487-L489 PolarHBondContact O-N 2.9Å; L489-V549 HydrophobicContact CD2-CG1 4.15Å; L489-N573 PolarHBondContact N-O 3.38Å; L489-P575 WeakPolarHBondContact O-CD 3.19Å
490S63.2Low66.6Low28 Ų28102.3 Ų102.320%0.19648%0.478CS..  trans-112.4110.1176176.50000108.1K488 F492 H493 I494K488-S490 VanDerWaalsContact C-N 3.26Å; K488-S490 PolarHBondContact O-N 2.78Å; S490-F492 PolarHBondContact O-N 3.39Å; S490-H493 WeakPolarHBondContact O-CB 3.45Å; S490-H493 PolarHBondContact O-N 2.93Å; S490-H493 PolarHBondContact OG-N 3.41Å; S490-I494 PolarHBondContact O-N 3.24Å; S490-I494 VanDerWaalsContact O-N 3.16Å
491L66.8Low66.8Low58 Ų5894.4 Ų94.430%0.30445%0.445SS..Hα-helixtrans-51.9-39.3172.1-17768.6000110.8H493 I494 L495 I546 Y550 I553L491-H493 PolarHBondContact O-N 2.84Å; L491-I494 PolarHBondContact O-N 3.32Å; L491-L495 VanDerWaalsContact O-CB 3.31Å; L491-L495 WeakPolarHBondContact O-CB 3.34Å; L491-L495 PolarHBondContact O-N 3.47Å; L491-I546 HydrophobicContact CD1-CG2 3.63Å; L491-Y550 HydrophobicContact CD2-CD2 4.23Å; L491-I553 HydrophobicContact CB-CD1 4.19Å
492F71Confident67.3Low124 Ų12498 Ų9854%0.54446%0.461SS..Hα-helixtrans-62.6-40.7177.6-174.9-104.8000112.6S490 L495 N496S490-F492 PolarHBondContact O-N 3.39Å; F492-L495 PolarHBondContact O-N 3.1Å; F492-N496 WeakPolarHBondContact CE1-ND2 3.39Å; F492-N496 WeakPolarHBondContact CZ-ND2 3.36Å; F492-N496 WeakPolarHBondContact O-CB 3.2Å; F492-N496 PolarHBondContact O-N 2.86Å
493H69.8Low68.4Low104 Ų10491.7 Ų91.748%0.48145%0.446SS..Hα-helixtrans-64.5-45.1177-177.773.6000111.4S490 L491 N496 K497S490-H493 WeakPolarHBondContact O-CB 3.45Å; S490-H493 PolarHBondContact O-N 2.93Å; S490-H493 PolarHBondContact OG-N 3.41Å; L491-H493 PolarHBondContact O-N 2.84Å; H493-N496 PolarHBondContact O-N 2.84Å; H493-K497 VanDerWaalsContact O-CB 3.26Å; H493-K497 WeakPolarHBondContact O-CB 3.45Å; H493-K497 PolarHBondContact O-N 3.42Å
494I70.8Confident69.3Low51 Ų5188.6 Ų88.626%0.26244%0.436SS..Hα-helixtrans-64.2-44.3178.1-63.8175.2000110.7S490 L491 K497 N498 I546 V549S490-I494 PolarHBondContact O-N 3.24Å; S490-I494 VanDerWaalsContact O-N 3.16Å; L491-I494 PolarHBondContact O-N 3.32Å; I494-K497 PolarHBondContact O-N 3.4Å; I494-N498 WeakPolarHBondContact O-CB 3.12Å; I494-N498 VanDerWaalsContact O-CG 3.24Å; I494-N498 PolarHBondContact O-N 3.45Å; I494-N498 PolarHBondContact O-ND2 2.87Å; I494-I546 HydrophobicContact CG2-CG1 4.47Å; I494-V549 HydrophobicContact CD1-CB 4.36Å; I494-V549 HydrophobicContact CD1-CG1 3.96Å; I494-V549 HydrophobicContact CD1-CG2 3.83Å
495L73.9Confident70Confident76 Ų7683.8 Ų83.840%0.39842%0.415SS..Hα-helixtrans-60.2-52.1177.4-169.792.2000110.9L491 F492 K497 N498 I499L491-L495 VanDerWaalsContact O-CB 3.31Å; L491-L495 WeakPolarHBondContact O-CB 3.34Å; L491-L495 PolarHBondContact O-N 3.47Å; F492-L495 PolarHBondContact O-N 3.1Å; L495-K497 VanDerWaalsContact C-N 3.33Å; L495-K497 PolarHBondContact O-N 3.22Å; L495-N498 PolarHBondContact O-N 2.84Å; L495-I499 HydrophobicContact CD2-CD1 4.03Å; L495-I499 HydrophobicContact CG-CD1 3.98Å; L495-I499 WeakPolarHBondContact O-CG1 3.26Å; L495-I499 PolarHBondContact O-N 3.42Å
496N77.4Confident71.1Confident56 Ų5678.6 Ų78.630%0.29940%0.395SS..Hα-helixtrans-62.2-40.7179.7-79.5-6.6000112.1F492 H493 N498 I499 I500F492-N496 WeakPolarHBondContact CE1-ND2 3.39Å; F492-N496 WeakPolarHBondContact CZ-ND2 3.36Å; F492-N496 WeakPolarHBondContact O-CB 3.2Å; F492-N496 PolarHBondContact O-N 2.86Å; H493-N496 PolarHBondContact O-N 2.84Å; N496-N498 VanDerWaalsContact C-N 3.34Å; N496-N498 PolarHBondContact O-N 3.21Å; N496-I499 PolarHBondContact O-N 3.14Å; N496-I500 WeakPolarHBondContact O-CB 3.24Å; N496-I500 VanDerWaalsContact O-CG1 3.23Å; N496-I500 WeakPolarHBondContact O-CG1 3.14Å; N496-I500 PolarHBondContact O-N 3.41Å
497K75.3Confident72.5Confident95 Ų9574.7 Ų74.741%0.41338%0.379SS..Hα-helixtrans-60.6-45.4175.9-175.1174-179.2173.10111.1H493 I494 L495 I500 D501H493-K497 VanDerWaalsContact O-CB 3.26Å; H493-K497 WeakPolarHBondContact O-CB 3.45Å; H493-K497 PolarHBondContact O-N 3.42Å; I494-K497 PolarHBondContact O-N 3.4Å; L495-K497 VanDerWaalsContact C-N 3.33Å; L495-K497 PolarHBondContact O-N 3.22Å; K497-I500 PolarHBondContact O-N 2.98Å; K497-D501 WeakPolarHBondContact O-CB 3.24Å; K497-D501 PolarHBondContact O-N 3.34Å
498N74.6Confident73.6Confident32 Ų3269.1 Ų69.117%0.17135%0.353CS..Hα-helixtrans-64.5-40.2176.8-71.1-19.1000112I494 L495 N496 D501 Q502I494-N498 WeakPolarHBondContact O-CB 3.12Å; I494-N498 VanDerWaalsContact O-CG 3.24Å; I494-N498 PolarHBondContact O-N 3.45Å; I494-N498 PolarHBondContact O-ND2 2.87Å; L495-N498 PolarHBondContact O-N 2.84Å; N496-N498 VanDerWaalsContact C-N 3.34Å; N496-N498 PolarHBondContact O-N 3.21Å; N498-D501 PolarHBondContact O-N 3.25Å; N498-Q502 WeakPolarHBondContact O-CB 3.44Å; N498-Q502 WeakPolarHBondContact O-CG 3.36Å; N498-Q502 PolarHBondContact O-N 3.44Å
499I79.7Confident74.8Confident90 Ų9067.7 Ų67.746%0.46235%0.351SS..Hα-helixtrans-62.4-48.9175.8-68.9166.7000110.1L495 N496 D501 Q502 T503L495-I499 HydrophobicContact CD2-CD1 4.03Å; L495-I499 HydrophobicContact CG-CD1 3.98Å; L495-I499 WeakPolarHBondContact O-CG1 3.26Å; L495-I499 PolarHBondContact O-N 3.42Å; N496-I499 PolarHBondContact O-N 3.14Å; I499-D501 PolarHBondContact O-N 3.38Å; I499-Q502 PolarHBondContact O-N 2.98Å; I499-T503 HydrophobicContact CG2-CG2 4.21Å; I499-T503 VanDerWaalsContact O-CG2 3.27Å; I499-T503 WeakPolarHBondContact O-CG2 3.31Å; I499-T503 PolarHBondContact O-N 3.04Å; I499-T503 PolarHBondContact O-OG1 3.45Å; I499-T503 VanDerWaalsContact O-OG1 3.13Å
500I81.6Confident76.1Confident108 Ų10872.9 Ų72.955%0.55438%0.376SS*.Hα-helixtrans-59.4-48.5178.7-68.5165.2000110.1N496 K497 Q502 T503 L504N496-I500 WeakPolarHBondContact O-CB 3.24Å; N496-I500 VanDerWaalsContact O-CG1 3.23Å; N496-I500 WeakPolarHBondContact O-CG1 3.14Å; N496-I500 PolarHBondContact O-N 3.41Å; K497-I500 PolarHBondContact O-N 2.98Å; I500-Q502 VanDerWaalsContact C-N 3.35Å; I500-Q502 PolarHBondContact O-N 3.27Å; I500-T503 WeakPolarHBondContact CA-OG1 3.22Å; I500-T503 PolarHBondContact O-N 3.11Å; I500-T503 PolarHBondContact O-OG1 3.23Å; I500-L504 WeakPolarHBondContact O-CB 3.43Å; I500-L504 PolarHBondContact O-N 2.78Å
501D76Confident77Confident24 Ų2477.5 Ų77.513%0.12840%0.397CS..Hα-helixtrans-54.7-49.1176.9-89.5-34000111.4R147 K497 N498 I499 L504 T505 R520R147-D501 IonicContact NH2-OD2 3.81Å; R147-D501 PolarHBondContact NH2-OD2 3.41Å; K497-D501 WeakPolarHBondContact O-CB 3.24Å; K497-D501 PolarHBondContact O-N 3.34Å; N498-D501 PolarHBondContact O-N 3.25Å; I499-D501 PolarHBondContact O-N 3.38Å; D501-L504 PolarHBondContact O-N 3.18Å; D501-T505 PolarHBondContact O-N 2.97Å; D501-T505 PolarHBondContact O-OG1 3.25Å; D501-T505 VanDerWaalsContact O-OG1 3.04Å; D501-R520 IonicContact OD1-CZ 2.82Å; D501-R520 IonicContact OD1-NH1 3.92Å; D501-R520 IonicContact OD1-NH2 2.85Å; D501-R520 PolarHBondContact OD1-NH2 3.02Å; D501-R520 IonicContact OD2-NH1 3.12Å; D501-R520 IonicContact OD2-NH2 3.35Å
502Q77.9Confident77.4Confident108 Ų10877.8 Ų77.851%0.50541%0.414SS..Hα-helixtrans-67.3-40-179.7-71.8-67-64.300112.6N498 I499 I500 L504 T505 G506 E521N498-Q502 WeakPolarHBondContact O-CB 3.44Å; N498-Q502 WeakPolarHBondContact O-CG 3.36Å; N498-Q502 PolarHBondContact O-N 3.44Å; I499-Q502 PolarHBondContact O-N 2.98Å; I500-Q502 VanDerWaalsContact C-N 3.35Å; I500-Q502 PolarHBondContact O-N 3.27Å; Q502-L504 VanDerWaalsContact C-N 3.34Å; Q502-T505 PolarHBondContact O-N 2.91Å; Q502-G506 PolarHBondContact O-N 3.1Å; Q502-E521 PolarHBondContact NE2-OE2 2.75Å
503T82.3Confident77.5Confident75 Ų7574.5 Ų74.546%0.4641%0.406SS..Hα-helixtrans-65.1-39.5175.757.30000111.7I499 I500 G506 I507I499-T503 HydrophobicContact CG2-CG2 4.21Å; I499-T503 VanDerWaalsContact O-CG2 3.27Å; I499-T503 WeakPolarHBondContact O-CG2 3.31Å; I499-T503 PolarHBondContact O-N 3.04Å; I499-T503 PolarHBondContact O-OG1 3.45Å; I499-T503 VanDerWaalsContact O-OG1 3.13Å; I500-T503 WeakPolarHBondContact CA-OG1 3.22Å; I500-T503 PolarHBondContact O-N 3.11Å; I500-T503 PolarHBondContact O-OG1 3.23Å; T503-G506 PolarHBondContact O-N 3.42Å; T503-I507 VanDerWaalsContact O-CG1 3.27Å; T503-I507 WeakPolarHBondContact O-CG1 3.41Å; T503-I507 PolarHBondContact O-N 2.82Å
504L80.6Confident77.2Confident76 Ų7678.7 Ų78.740%0.39842%0.423SS..Hα-helixtrans-65.5-42.6176.9-169.569.3000110.8I500 D501 Q502 G506 I507 E508 N517I500-L504 WeakPolarHBondContact O-CB 3.43Å; I500-L504 PolarHBondContact O-N 2.78Å; D501-L504 PolarHBondContact O-N 3.18Å; Q502-L504 VanDerWaalsContact C-N 3.34Å; L504-G506 VanDerWaalsContact C-N 3.33Å; L504-G506 PolarHBondContact O-N 3.49Å; L504-I507 PolarHBondContact O-N 3.45Å; L504-E508 WeakPolarHBondContact O-CG 3.44Å; L504-E508 PolarHBondContact O-N 2.98Å; L504-N517 WeakPolarHBondContact CD2-ND2 3.37Å
505T73.6Confident76.9Confident0 Ų077 Ų770%042%0.418CS..Hα-helixtrans-60.6-43.8172.7-450000111.6D501 Q502 I507 E508 I509 N517 A518 E521D501-T505 PolarHBondContact O-N 2.97Å; D501-T505 PolarHBondContact O-OG1 3.25Å; D501-T505 VanDerWaalsContact O-OG1 3.04Å; Q502-T505 PolarHBondContact O-N 2.91Å; T505-I507 VanDerWaalsContact C-N 3.3Å; T505-I507 PolarHBondContact O-N 2.85Å; T505-E508 PolarHBondContact O-N 3.05Å; T505-I509 HydrophobicContact CG2-CD1 3.86Å; T505-I509 HydrophobicContact CG2-CG1 4.33Å; T505-I509 VanDerWaalsContact O-CG1 3.29Å; T505-I509 WeakPolarHBondContact O-CG1 3.34Å; T505-I509 PolarHBondContact O-N 3.25Å; T505-N517 HydrophobicContact CG2-CB 4.46Å; T505-A518 HydrophobicContact CG2-CB 4.46Å; T505-E521 WeakPolarHBondContact CB-OE2 3.44Å; T505-E521 HydrophobicContact CG2-CB 3.9Å; T505-E521 HydrophobicContact CG2-CG 4.35Å; T505-E521 WeakPolarHBondContact CG2-OE2 3.17Å; T505-E521 PolarHBondContact OG1-OE2 3.07Å
506G79.6Confident76.6Confident35 Ų3578.2 Ų78.236%0.36142%0.417SS..Hα-helixtrans-57.9-43.517700000112.2Q502 T503 L504 M510Q502-G506 PolarHBondContact O-N 3.1Å; T503-G506 PolarHBondContact O-N 3.42Å; L504-G506 VanDerWaalsContact C-N 3.33Å; L504-G506 PolarHBondContact O-N 3.49Å; G506-M510 VanDerWaalsContact O-CG 3.22Å; G506-M510 WeakPolarHBondContact O-CG 3.41Å; G506-M510 PolarHBondContact O-N 3.01Å
507I83.1Confident76Confident90 Ų9076 Ų7646%0.46241%0.405SS..Hα-helixtrans-66-44.7176.7-67.8164.5000111.3T503 L504 T505 I509 M510 I511T503-I507 VanDerWaalsContact O-CG1 3.27Å; T503-I507 WeakPolarHBondContact O-CG1 3.41Å; T503-I507 PolarHBondContact O-N 2.82Å; L504-I507 PolarHBondContact O-N 3.45Å; T505-I507 VanDerWaalsContact C-N 3.3Å; T505-I507 PolarHBondContact O-N 2.85Å; I507-I509 VanDerWaalsContact C-N 3.34Å; I507-I509 PolarHBondContact O-N 3.39Å; I507-M510 PolarHBondContact O-N 3.11Å; I507-I511 HydrophobicContact CG2-CD1 3.53Å; I507-I511 HydrophobicContact CG2-CG1 4.29Å; I507-I511 VanDerWaalsContact O-CG1 3.31Å; I507-I511 WeakPolarHBondContact O-CG1 3.2Å; I507-I511 PolarHBondContact O-N 2.97Å
508E79.4Confident75.6Confident24 Ų2472.3 Ų72.311%0.11239%0.393CS..Hα-helixtrans-57.8-45.8176.8-77177-167.700111.7L504 T505 M510 I511 G512 S513 G515 N517 A518L504-E508 WeakPolarHBondContact O-CG 3.44Å; L504-E508 PolarHBondContact O-N 2.98Å; T505-E508 PolarHBondContact O-N 3.05Å; E508-M510 VanDerWaalsContact C-N 3.35Å; E508-M510 PolarHBondContact O-N 3.32Å; E508-I511 PolarHBondContact O-N 3.25Å; E508-G512 PolarHBondContact O-N 2.98Å; E508-G512 VanDerWaalsContact O-N 3.08Å; E508-S513 CarbonylContact C-O 3.52Å; E508-S513 PolarHBondContact O-N 3.41Å; E508-S513 VanDerWaalsContact O-N 3.14Å; E508-S513 VanDerWaalsContact O-O 3.12Å; E508-G515 VanDerWaalsContact OE2-CA 3.28Å; E508-G515 WeakPolarHBondContact OE2-CA 3.25Å; E508-N517 PolarHBondContact OE1-ND2 3.04Å; E508-N517 WeakPolarHBondContact OE2-CB 3.32Å; E508-N517 PolarHBondContact OE2-N 3.45Å; E508-A518 PolarHBondContact OE2-N 3.03Å
509I79.5Confident75.2Confident110 Ų11074.8 Ų74.856%0.56441%0.405SS*.Hα-helixtrans-62.3-42.1177.1-66.6168000110.9T505 I507 G512 A518T505-I509 HydrophobicContact CG2-CD1 3.86Å; T505-I509 HydrophobicContact CG2-CG1 4.33Å; T505-I509 VanDerWaalsContact O-CG1 3.29Å; T505-I509 WeakPolarHBondContact O-CG1 3.34Å; T505-I509 PolarHBondContact O-N 3.25Å; I507-I509 VanDerWaalsContact C-N 3.34Å; I507-I509 PolarHBondContact O-N 3.39Å; I509-G512 PolarHBondContact O-N 3.02Å; I509-A518 HydrophobicContact CG1-CB 4.43Å
510M81.2Confident74.9Confident167 Ų16773.5 Ų73.582%0.82340%0.395SS*.Hα-helixtrans-65.7-39.6177.8-67.3-131.8-42.800113.1G506 I507 E508 G512G506-M510 VanDerWaalsContact O-CG 3.22Å; G506-M510 WeakPolarHBondContact O-CG 3.41Å; G506-M510 PolarHBondContact O-N 3.01Å; I507-M510 PolarHBondContact O-N 3.11Å; E508-M510 VanDerWaalsContact C-N 3.35Å; E508-M510 PolarHBondContact O-N 3.32Å; M510-G512 PolarHBondContact O-N 3.2Å
511I83.4Confident74.4Confident125 Ų12571 Ų7164%0.64138%0.381SS*.Hα-helixtrans-72.5-14.4178.3-64.5170.7000110.8I507 E508 S513I507-I511 HydrophobicContact CG2-CD1 3.53Å; I507-I511 HydrophobicContact CG2-CG1 4.29Å; I507-I511 VanDerWaalsContact O-CG1 3.31Å; I507-I511 WeakPolarHBondContact O-CG1 3.2Å; I507-I511 PolarHBondContact O-N 2.97Å; E508-I511 PolarHBondContact O-N 3.25Å; I511-S513 PolarHBondContact O-N 2.73Å
512G75.5Confident74.1Confident63 Ų6376 Ų7665%0.64940%0.402SS*.THydrogen-bonded Turntrans70.611.6-173.300000112.6E508 I509 M510 K514E508-G512 PolarHBondContact O-N 2.98Å; E508-G512 VanDerWaalsContact O-N 3.08Å; I509-G512 PolarHBondContact O-N 3.02Å; M510-G512 PolarHBondContact O-N 3.2Å; G512-K514 PolarHBondContact O-N 3.42Å
513S72.6Confident73.9Confident56 Ų5677.3 Ų77.339%0.39241%0.406SS..  trans-78.8120.3172.2109.90000107.2E508 I511 G515E508-S513 CarbonylContact C-O 3.52Å; E508-S513 PolarHBondContact O-N 3.41Å; E508-S513 VanDerWaalsContact O-N 3.14Å; E508-S513 VanDerWaalsContact O-O 3.12Å; I511-S513 PolarHBondContact O-N 2.73Å; S513-G515 PolarHBondContact O-N 3.38Å
514K62.8Low73.5Confident191 Ų19176.4 Ų76.483%0.8340%0.398SS*.  trans-77.671.8169.2-73.9-175.31791780108.1G512G512-K514 PolarHBondContact O-N 3.42Å
515G64.5Low73.2Confident15 Ų1577.9 Ų77.916%0.15540%0.402CS..  trans-69.9172.4172.500000112E508 S513 N517 A518 I519E508-G515 VanDerWaalsContact OE2-CA 3.28Å; E508-G515 WeakPolarHBondContact OE2-CA 3.25Å; S513-G515 PolarHBondContact O-N 3.38Å; G515-N517 VanDerWaalsContact C-N 3.26Å; G515-N517 PolarHBondContact O-N 3.15Å; G515-A518 PolarHBondContact O-N 2.61Å; G515-I519 PolarHBondContact O-N 2.83Å
516R67Low73.2Confident103 Ų10380.4 Ų80.439%0.38942%0.415SS..Hα-helixtrans-58.4-38.7177.8179.5176.566.1176.7-7.6111.8D408 E409 I519 R520D408-R516 VanDerWaalsContact C-NH1 3.31Å; D408-R516 VanDerWaalsContact CB-NH1 3.32Å; D408-R516 PolarHBondContact O-NH1 2.96Å; D408-R516 WeakPolarHBondContact OD1-CD 3.31Å; D408-R516 IonicContact OD1-NH1 3.81Å; D408-R516 PolarHBondContact OD1-NH1 2.85Å; E409-R516 IonicContact OE2-NH2 2.61Å; R516-I519 PolarHBondContact O-N 3.41Å; R516-R520 VanDerWaalsContact O-CB 3.28Å; R516-R520 WeakPolarHBondContact O-CB 3.31Å; R516-R520 PolarHBondContact O-N 3.38Å
517N66Low73.2Confident8 Ų879.8 Ų79.84%0.04340%0.403CS..Hα-helixtrans-71.1-37.2-176.1-58.2-56.7000111.2L504 T505 E508 G515 R520 E521L504-N517 WeakPolarHBondContact CD2-ND2 3.37Å; T505-N517 HydrophobicContact CG2-CB 4.46Å; E508-N517 PolarHBondContact OE1-ND2 3.04Å; E508-N517 WeakPolarHBondContact OE2-CB 3.32Å; E508-N517 PolarHBondContact OE2-N 3.45Å; G515-N517 VanDerWaalsContact C-N 3.26Å; G515-N517 PolarHBondContact O-N 3.15Å; N517-R520 PolarHBondContact O-N 2.83Å; N517-R520 PolarHBondContact OD1-NH2 2.9Å; N517-E521 VanDerWaalsContact O-CB 3.29Å; N517-E521 WeakPolarHBondContact O-CB 3.43Å; N517-E521 PolarHBondContact O-N 3.49Å
518A66.2Low72.9Confident19 Ų1979 Ų7916%0.15740%0.398CS..Hα-helixtrans-60.3-46172.900000112.9T505 E508 I509 G515 E521 F522T505-A518 HydrophobicContact CG2-CB 4.46Å; E508-A518 PolarHBondContact OE2-N 3.03Å; I509-A518 HydrophobicContact CG1-CB 4.43Å; G515-A518 PolarHBondContact O-N 2.61Å; A518-E521 PolarHBondContact O-N 3.44Å; A518-F522 WeakPolarHBondContact O-CB 3.37Å; A518-F522 PolarHBondContact O-N 3.34Å
519I67.8Low72.7Confident84 Ų8483.4 Ų83.443%0.43142%0.417SS..Hα-helixtrans-65.8-44.4177.4-65.1170.7000110.6G515 R516 E521 F522 F523G515-I519 PolarHBondContact O-N 2.83Å; R516-I519 PolarHBondContact O-N 3.41Å; I519-E521 VanDerWaalsContact C-N 3.34Å; I519-E521 PolarHBondContact O-N 2.91Å; I519-F522 WeakPolarHBondContact O-CB 3.03Å; I519-F522 PolarHBondContact O-N 3.01Å; I519-F523 HydrophobicContact CG2-CD2 3.74Å; I519-F523 HydrophobicContact CG2-CE2 3.6Å; I519-F523 VanDerWaalsContact O-CD2 3.25Å; I519-F523 WeakPolarHBondContact O-CD2 3.42Å; I519-F523 PolarHBondContact O-N 2.94Å
520R72Confident72.6Confident63 Ų6384.3 Ų84.324%0.23841%0.414CS..Hα-helixtrans-56.9-48.3176.6-179.3179.270.8177.91.2111.2D501 R516 N517 F522 F523 I524D501-R520 IonicContact OD1-CZ 2.82Å; D501-R520 IonicContact OD1-NH1 3.92Å; D501-R520 IonicContact OD1-NH2 2.85Å; D501-R520 PolarHBondContact OD1-NH2 3.02Å; D501-R520 IonicContact OD2-NH1 3.12Å; D501-R520 IonicContact OD2-NH2 3.35Å; R516-R520 VanDerWaalsContact O-CB 3.28Å; R516-R520 WeakPolarHBondContact O-CB 3.31Å; R516-R520 PolarHBondContact O-N 3.38Å; N517-R520 PolarHBondContact O-N 2.83Å; N517-R520 PolarHBondContact OD1-NH2 2.9Å; R520-F522 VanDerWaalsContact C-N 3.35Å; R520-F523 PolarHBondContact O-N 3.29Å; R520-I524 HydrophobicContact CG-CD1 3.94Å; R520-I524 VanDerWaalsContact O-CG1 3.31Å; R520-I524 WeakPolarHBondContact O-CG1 3.39Å; R520-I524 PolarHBondContact O-N 3.36Å
521E70.7Confident72.6Confident56 Ų5679.1 Ų79.126%0.26239%0.389SS..Hα-helixtrans-68.4-35.8-179.2-165.7161.1143.200111.9Q502 T505 N517 A518 I519 F523 I524 H525Q502-E521 PolarHBondContact NE2-OE2 2.75Å; T505-E521 WeakPolarHBondContact CB-OE2 3.44Å; T505-E521 HydrophobicContact CG2-CB 3.9Å; T505-E521 HydrophobicContact CG2-CG 4.35Å; T505-E521 WeakPolarHBondContact CG2-OE2 3.17Å; T505-E521 PolarHBondContact OG1-OE2 3.07Å; N517-E521 VanDerWaalsContact O-CB 3.29Å; N517-E521 WeakPolarHBondContact O-CB 3.43Å; N517-E521 PolarHBondContact O-N 3.49Å; A518-E521 PolarHBondContact O-N 3.44Å; I519-E521 VanDerWaalsContact C-N 3.34Å; I519-E521 PolarHBondContact O-N 2.91Å; E521-F523 PolarHBondContact O-N 3.16Å; E521-I524 PolarHBondContact O-N 2.99Å; E521-H525 VanDerWaalsContact O-CB 3.28Å; E521-H525 WeakPolarHBondContact O-CB 3.38Å; E521-H525 PolarHBondContact O-N 2.88Å
522F70.9Confident72.5Confident129 Ų12974.2 Ų74.257%0.56636%0.362SS*.Hα-helixtrans-59.2-46.6171.9179.5-100.4000112A518 I519 R520 H525 I526A518-F522 WeakPolarHBondContact O-CB 3.37Å; A518-F522 PolarHBondContact O-N 3.34Å; I519-F522 WeakPolarHBondContact O-CB 3.03Å; I519-F522 PolarHBondContact O-N 3.01Å; R520-F522 VanDerWaalsContact C-N 3.35Å; F522-H525 PolarHBondContact O-N 3.01Å; F522-I526 HydrophobicContact CD1-CD1 3.91Å; F522-I526 HydrophobicContact CE1-CD1 3.29Å; F522-I526 HydrophobicContact CE1-CG1 4.42Å; F522-I526 HydrophobicContact CE2-CD1 3.97Å; F522-I526 HydrophobicContact CG-CD1 4.49Å; F522-I526 HydrophobicContact CZ-CD1 3.34Å; F522-I526 HydrophobicContact CZ-CG1 4.36Å; F522-I526 WeakPolarHBondContact O-CG1 3.3Å; F522-I526 PolarHBondContact O-N 3.16Å
523F73.2Confident72.6Confident134 Ų13477.5 Ų77.559%0.58836%0.36SS*.Hα-helixtrans-63.5-43175.1-82.4-68.6000112.2I519 R520 E521 H525 I526 D527I519-F523 HydrophobicContact CG2-CD2 3.74Å; I519-F523 HydrophobicContact CG2-CE2 3.6Å; I519-F523 VanDerWaalsContact O-CD2 3.25Å; I519-F523 WeakPolarHBondContact O-CD2 3.42Å; I519-F523 PolarHBondContact O-N 2.94Å; R520-F523 PolarHBondContact O-N 3.29Å; E521-F523 PolarHBondContact O-N 3.16Å; F523-H525 VanDerWaalsContact C-N 3.32Å; F523-H525 PolarHBondContact O-N 2.9Å; F523-I526 PolarHBondContact O-N 3.36Å; F523-D527 WeakPolarHBondContact O-CB 3.24Å; F523-D527 PolarHBondContact O-N 3Å
524I74.2Confident73.1Confident57 Ų5779.4 Ų79.429%0.29237%0.365SS..Hα-helixtrans-62.4-41.2176.4-68.6167.3000110.9R520 E521 D527 Q528R520-I524 HydrophobicContact CG-CD1 3.94Å; R520-I524 VanDerWaalsContact O-CG1 3.31Å; R520-I524 WeakPolarHBondContact O-CG1 3.39Å; R520-I524 PolarHBondContact O-N 3.36Å; E521-I524 PolarHBondContact O-N 2.99Å; I524-D527 PolarHBondContact O-N 2.8Å; I524-Q528 HydrophobicContact CG2-CG 4.3Å; I524-Q528 WeakPolarHBondContact O-CB 3.29Å; I524-Q528 VanDerWaalsContact O-CG 3.29Å; I524-Q528 WeakPolarHBondContact O-CG 3.09Å; I524-Q528 PolarHBondContact O-N 3.19Å
525H73.5Confident74Confident106 Ų10670.7 Ų70.749%0.49133%0.328SS..Hα-helixtrans-66.4-43.7179.9-170.476.2000111.6E521 F522 F523 D527 K529E521-H525 VanDerWaalsContact O-CB 3.28Å; E521-H525 WeakPolarHBondContact O-CB 3.38Å; E521-H525 PolarHBondContact O-N 2.88Å; F522-H525 PolarHBondContact O-N 3.01Å; F523-H525 VanDerWaalsContact C-N 3.32Å; F523-H525 PolarHBondContact O-N 2.9Å; H525-D527 VanDerWaalsContact C-N 3.35Å; H525-K529 WeakPolarHBondContact O-CB 3.47Å; H525-K529 PolarHBondContact O-N 3.2Å
526I75.2Confident74.8Confident53 Ų5370.1 Ų70.127%0.27232%0.321SS..Hα-helixtrans-62.6-44.7173.3-73.2180000110.8F522 F523 K529 Y530 I531F522-I526 HydrophobicContact CD1-CD1 3.91Å; F522-I526 HydrophobicContact CE1-CD1 3.29Å; F522-I526 HydrophobicContact CE1-CG1 4.42Å; F522-I526 HydrophobicContact CE2-CD1 3.97Å; F522-I526 HydrophobicContact CG-CD1 4.49Å; F522-I526 HydrophobicContact CZ-CD1 3.34Å; F522-I526 HydrophobicContact CZ-CG1 4.36Å; F522-I526 WeakPolarHBondContact O-CG1 3.3Å; F522-I526 PolarHBondContact O-N 3.16Å; F523-I526 PolarHBondContact O-N 3.36Å; I526-K529 PolarHBondContact O-N 2.94Å; I526-Y530 PolarHBondContact O-N 3.45Å; I526-I531 HydrophobicContact CG2-CD1 4.11Å; I526-I531 HydrophobicContact CG2-CG1 4.34Å; I526-I531 PolarHBondContact O-N 3.42Å
527D79.2Confident74.9Confident22 Ų2269.9 Ų69.912%0.11832%0.32CS..Iπ-helixtrans-57.7-51.7179.4-178.843.4000110.9Y332 F523 I524 H525 I531 R532Y332-D527 VanDerWaalsContact CE1-OD1 3.22Å; Y332-D527 WeakPolarHBondContact CE1-OD1 3.23Å; Y332-D527 PolarHBondContact OH-OD1 2.95Å; F523-D527 WeakPolarHBondContact O-CB 3.24Å; F523-D527 PolarHBondContact O-N 3Å; I524-D527 PolarHBondContact O-N 2.8Å; H525-D527 VanDerWaalsContact C-N 3.35Å; D527-I531 PolarHBondContact O-N 2.98Å; D527-I531 VanDerWaalsContact O-N 3.13Å; D527-I531 WeakPolarHBondContact OD1-CB 3.41Å; D527-R532 WeakPolarHBondContact O-CB 3.49Å; D527-R532 PolarHBondContact O-N 3.28Å; D527-R532 IonicContact OD2-CZ 2.67Å; D527-R532 IonicContact OD2-NE 3.66Å; D527-R532 PolarHBondContact OD2-NE 3.12Å; D527-R532 IonicContact OD2-NH2 2.6Å
528Q76.5Confident75.1Confident74 Ų7475.3 Ų75.335%0.34635%0.349SS..Iπ-helixtrans-64.8-43179.1-73.2179.3000113.1I524I524-Q528 HydrophobicContact CG2-CG 4.3Å; I524-Q528 WeakPolarHBondContact O-CB 3.29Å; I524-Q528 VanDerWaalsContact O-CG 3.29Å; I524-Q528 WeakPolarHBondContact O-CG 3.09Å; I524-Q528 PolarHBondContact O-N 3.19Å
529K75.4Confident74.9Confident116 Ų11677.1 Ų77.150%0.50436%0.36SS..Iπ-helixtrans-76.4-36.8-171.7-172.5174.1177.9-170.30112.9H525 I526H525-K529 WeakPolarHBondContact O-CB 3.47Å; H525-K529 PolarHBondContact O-N 3.2Å; I526-K529 PolarHBondContact O-N 2.94Å
530Y77.8Confident74.4Confident129 Ų12975.6 Ų75.651%0.50635%0.351SS..Iπ-helixtrans-120.7-55.9-173-62.6-76.7000112.3I526 H533 I534I526-Y530 PolarHBondContact O-N 3.45Å; Y530-H533 PolarHBondContact O-N 2.92Å; Y530-I534 WeakPolarHBondContact O-CD1 3.29Å; Y530-I534 WeakPolarHBondContact O-CG1 3.26Å; Y530-I534 PolarHBondContact O-N 3.37Å; Y530-I534 VanDerWaalsContact O-N 3.16Å
531I79.6Confident73.7Confident59 Ų5980.9 Ų80.930%0.30337%0.371SS..Iπ-helixtrans-67.1-51.5-166.5-56.7179.7000111Y332 I526 D527 H533 I534 L535Y332-I531 HydrophobicContact CD1-CG2 4.49Å; Y332-I531 HydrophobicContact CE1-CG2 3.78Å; Y332-I531 HydrophobicContact CE2-CG2 4.24Å; I526-I531 HydrophobicContact CG2-CD1 4.11Å; I526-I531 HydrophobicContact CG2-CG1 4.34Å; I526-I531 PolarHBondContact O-N 3.42Å; D527-I531 PolarHBondContact O-N 2.98Å; D527-I531 VanDerWaalsContact O-N 3.13Å; D527-I531 WeakPolarHBondContact OD1-CB 3.41Å; I531-H533 PolarHBondContact O-N 3.3Å; I531-I534 PolarHBondContact O-N 3.38Å; I531-L535 HydrophobicContact CG2-CD1 3.5Å; I531-L535 HydrophobicContact CG2-CG 4.18Å; I531-L535 WeakPolarHBondContact O-CB 3.35Å; I531-L535 WeakPolarHBondContact O-CG 3.41Å; I531-L535 PolarHBondContact O-N 3.25Å
532R81.9Confident73.1Confident21 Ų2181 Ų818%0.07937%0.369CS..Hα-helixtrans-62.6-41.9179.2-72.9-176.1177-109.7-13.7112.7Y332 D527 I534 L535 Q536 P539 E540Y332-R532 HydrophobicContact CD1-CG 4.48Å; Y332-R532 HydrophobicContact CE1-CG 4.22Å; D527-R532 WeakPolarHBondContact O-CB 3.49Å; D527-R532 PolarHBondContact O-N 3.28Å; D527-R532 IonicContact OD2-CZ 2.67Å; D527-R532 IonicContact OD2-NE 3.66Å; D527-R532 PolarHBondContact OD2-NE 3.12Å; D527-R532 IonicContact OD2-NH2 2.6Å; R532-I534 PolarHBondContact O-N 3.18Å; R532-L535 PolarHBondContact O-N 3.01Å; R532-Q536 WeakPolarHBondContact O-CA 3.27Å; R532-Q536 VanDerWaalsContact O-CB 3.23Å; R532-Q536 WeakPolarHBondContact O-CB 3.48Å; R532-Q536 PolarHBondContact O-N 2.59Å; R532-P539 HydrophobicContact CB-CB 4.45Å; R532-E540 PolarHBondContact NH1-O 3.46Å; R532-E540 VanDerWaalsContact NH1-O 3.16Å
533H78.1Confident72.3Confident132 Ų13280 Ų8061%0.61137%0.369SS*.Hα-helixtrans-65.5-27.7179.5-165.7-70.2000112.4Y530 I531Y530-H533 PolarHBondContact O-N 2.92Å; I531-H533 PolarHBondContact O-N 3.3Å
534I82.5Confident71.6Confident96 Ų9676.8 Ų76.849%0.49236%0.356SS..Hα-helixtrans-83-46.8177.1-67167.2000110.8L287 R290 Y530 I531 R532L287-I534 HydrophobicContact CD2-CG2 4.41Å; R290-I534 PolarHBondContact NH1-O 2.93Å; Y530-I534 WeakPolarHBondContact O-CD1 3.29Å; Y530-I534 WeakPolarHBondContact O-CG1 3.26Å; Y530-I534 PolarHBondContact O-N 3.37Å; Y530-I534 VanDerWaalsContact O-N 3.16Å; I531-I534 PolarHBondContact O-N 3.38Å; R532-I534 PolarHBondContact O-N 3.18Å
535L81.1Confident71.1Confident9 Ų978.4 Ų78.45%0.04736%0.361CS..Hα-helixtrans-90.5-34.6-169.6-61.4-176.7000113.9I283 C286 L287 Y332 N336 I531 R532I283-L535 HydrophobicContact CB-CD2 4.38Å; I283-L535 HydrophobicContact CG1-CD1 4.49Å; I283-L535 HydrophobicContact CG1-CD2 4.37Å; I283-L535 HydrophobicContact CG2-CD2 3.8Å; C286-L535 HydrophobicContact CB-CB 4.03Å; C286-L535 HydrophobicContact CB-CD2 3.99Å; C286-L535 HydrophobicContact CB-CG 4.45Å; L287-L535 HydrophobicContact CD2-CD2 4.45Å; Y332-L535 HydrophobicContact CD1-CB 4.5Å; Y332-L535 HydrophobicContact CD1-CD1 4.32Å; Y332-L535 HydrophobicContact CD2-CD1 3.77Å; Y332-L535 HydrophobicContact CE2-CD1 4.12Å; Y332-L535 HydrophobicContact CG-CB 4.3Å; Y332-L535 HydrophobicContact CG-CD1 3.89Å; N336-L535 PolarHBondContact ND2-O 2.88Å; I531-L535 HydrophobicContact CG2-CD1 3.5Å; I531-L535 HydrophobicContact CG2-CG 4.18Å; I531-L535 WeakPolarHBondContact O-CB 3.35Å; I531-L535 WeakPolarHBondContact O-CG 3.41Å; I531-L535 PolarHBondContact O-N 3.25Å; R532-L535 PolarHBondContact O-N 3.01Å
536Q81.6Confident70.7Confident2 Ų275.6 Ų75.61%0.00935%0.349CS..  trans-91.8143.9179.8-62.6179.8-22.900110.9Y332 H335 N336 R532Y332-Q536 HydrophobicContact CD1-CG 4.28Å; H335-Q536 HydrophobicContact CB-CG 4.45Å; N336-Q536 WeakPolarHBondContact OD1-CA 3.2Å; R532-Q536 WeakPolarHBondContact O-CA 3.27Å; R532-Q536 VanDerWaalsContact O-CB 3.23Å; R532-Q536 WeakPolarHBondContact O-CB 3.48Å; R532-Q536 PolarHBondContact O-N 2.59Å
537R70.3Confident70.4Confident99 Ų9978.4 Ų78.437%0.37436%0.364SS..SBendtrans-73.9-54.1177.4178.1178.6173.3175.5-17112R290 H292 N336R290-R537 HydrophobicContact CG-CB 4.36Å; R290-R537 PolarHBondContact O-NH1 3.29Å; H292-R537 PolarHBondContact CD2-NH1 2.88Å; H292-R537 PolarHBondContact CD2-NH2 3.43Å; H292-R537 VanDerWaalsContact CD2-NH2 3.34Å; H292-R537 PolarHBondContact CE1-NH1 3.32Å; H292-R537 PolarHBondContact ND1-NH1 3.38Å; H292-R537 VanDerWaalsContact NE2-CZ 3.34Å; H292-R537 PolarHBondContact NE2-NH1 3.18Å; H292-R537 PolarHBondContact NE2-NH2 2.98Å; N336-R537 PolarHBondContact OD1-N 3.17Å
538N69.8Low69.9Low121 Ų12180.8 Ų80.865%0.64737%0.374SS*.SBendtrans-112.9105172.7-67.6-8.9000105.6E540N538-E540 PolarHBondContact O-N 3.14Å
539P61.8Low69.5Low58 Ų5878.4 Ų78.438%0.37736%0.364SS..  trans-70.997.5-175.327.7-32.9000109.5R532 R541R532-P539 HydrophobicContact CB-CB 4.45Å; P539-R541 PolarHBondContact O-N 2.99Å; P539-R541 VanDerWaalsContact O-N 3.12Å
540E57Low69.3Low52 Ų5278.5 Ų78.524%0.24336%0.362CS..  trans-60.7116.2169.8-65.5-162.5166.700108.1R532 N538 E544 K548R532-E540 PolarHBondContact NH1-O 3.46Å; R532-E540 VanDerWaalsContact NH1-O 3.16Å; N538-E540 PolarHBondContact O-N 3.14Å; E540-E544 WeakPolarHBondContact CA-OE2 3.47Å; E540-E544 WeakPolarHBondContact CB-OE2 3.21Å; E540-E544 WeakPolarHBondContact CG-OE2 3.36Å; E540-K548 IonicContact OE1-NZ 2.77Å; E540-K548 PolarHBondContact OE1-NZ 3.37Å; E540-K548 IonicContact OE2-NZ 3.8Å; E540-K548 PolarHBondContact OE2-NZ 3.47Å
541R57.5Low69Low174 Ų17477.5 Ų77.566%0.65736%0.362SS*.  trans-72.1152.4172.1-72.1-171.3-177.2173.95.9109.3P539 D543 E544P539-R541 PolarHBondContact O-N 2.99Å; P539-R541 VanDerWaalsContact O-N 3.12Å; R541-D543 PolarHBondContact O-N 2.85Å; R541-E544 PolarHBondContact N-OE1 3.25Å; R541-E544 WeakPolarHBondContact O-CB 3.36Å; R541-E544 PolarHBondContact O-N 3.39Å
542Y58.1Low68.6Low59 Ų5978.7 Ų78.723%0.23137%0.369CS..THydrogen-bonded Turntrans-56-29.8179.6-154.3-86.2000112.2R147 E544 K545R147-Y542 PolarHBondContact NH1-OH 3.35Å; Y542-E544 PolarHBondContact O-N 3.35Å; Y542-K545 WeakPolarHBondContact O-CB 3.49Å; Y542-K545 PolarHBondContact O-N 2.72Å; Y542-K545 VanDerWaalsContact O-N 3.1Å
543D54.1Low68.2Low107 Ų10778.3 Ų78.357%0.57237%0.369SS*.Hα-helixtrans-58.5-30.5176.4-43.4-26.4000112.6R541 K545 I546 L547R541-D543 PolarHBondContact O-N 2.85Å; D543-K545 PolarHBondContact O-N 3.42Å; D543-I546 WeakPolarHBondContact O-CB 3.34Å; D543-I546 PolarHBondContact O-N 2.74Å; D543-I546 VanDerWaalsContact O-N 3.15Å; D543-L547 PolarHBondContact O-N 3.38Å
544E58.6Low68.2Low67 Ų6774.1 Ų74.131%0.31336%0.357SS..Hα-helixtrans-67.7-22.3177.7-68.2173.3-152.700112.7E540 R541 Y542 I546 L547 K548E540-E544 WeakPolarHBondContact CA-OE2 3.47Å; E540-E544 WeakPolarHBondContact CB-OE2 3.21Å; E540-E544 WeakPolarHBondContact CG-OE2 3.36Å; R541-E544 PolarHBondContact N-OE1 3.25Å; R541-E544 WeakPolarHBondContact O-CB 3.36Å; R541-E544 PolarHBondContact O-N 3.39Å; Y542-E544 PolarHBondContact O-N 3.35Å; E544-I546 VanDerWaalsContact C-N 3.28Å; E544-I546 PolarHBondContact O-N 2.85Å; E544-L547 CarbonylContact O-C 3.59Å; E544-L547 WeakPolarHBondContact O-CB 3.32Å; E544-L547 PolarHBondContact O-N 2.96Å; E544-K548 WeakPolarHBondContact O-CG 3.26Å; E544-K548 PolarHBondContact O-N 3.36Å
545K63.6Low67.9Low91 Ų9174 Ų7440%0.39636%0.357SS..Hα-helixtrans-64.3-37173.1-70.5-175.6176.6-179.40111.6Y542 D543 L547 K548 V549Y542-K545 WeakPolarHBondContact O-CB 3.49Å; Y542-K545 PolarHBondContact O-N 2.72Å; Y542-K545 VanDerWaalsContact O-N 3.1Å; D543-K545 PolarHBondContact O-N 3.42Å; K545-L547 VanDerWaalsContact C-N 3.3Å; K545-K548 PolarHBondContact O-N 3.4Å; K545-V549 WeakPolarHBondContact O-CG2 3.49Å; K545-V549 PolarHBondContact O-N 3.36Å; K545-V549 VanDerWaalsContact O-N 3.11Å
546I65.1Low67.5Low47 Ų4776.4 Ų76.424%0.24137%0.366CS..Hα-helixtrans-65.2-41.3174.9-59.7174.9000109.1L491 I494 D543 E544 V549 Y550L491-I546 HydrophobicContact CD1-CG2 3.63Å; I494-I546 HydrophobicContact CG2-CG1 4.47Å; D543-I546 WeakPolarHBondContact O-CB 3.34Å; D543-I546 PolarHBondContact O-N 2.74Å; D543-I546 VanDerWaalsContact O-N 3.15Å; E544-I546 VanDerWaalsContact C-N 3.28Å; E544-I546 PolarHBondContact O-N 2.85Å; I546-V549 PolarHBondContact O-N 3.05Å; I546-Y550 PolarHBondContact O-N 2.78Å
547L68.7Low67.1Low111 Ų11178 Ų7858%0.58138%0.375SS*.Hα-helixtrans-62.1-45175.7-16872.8000112.3D543 E544 K545 V549 Y550 E551D543-L547 PolarHBondContact O-N 3.38Å; E544-L547 CarbonylContact O-C 3.59Å; E544-L547 WeakPolarHBondContact O-CB 3.32Å; E544-L547 PolarHBondContact O-N 2.96Å; K545-L547 VanDerWaalsContact C-N 3.3Å; L547-V549 VanDerWaalsContact C-N 3.29Å; L547-V549 PolarHBondContact O-N 3.07Å; L547-Y550 WeakPolarHBondContact O-CA 3.4Å; L547-Y550 WeakPolarHBondContact O-CB 3.43Å; L547-Y550 PolarHBondContact O-N 3.19Å; L547-Y550 VanDerWaalsContact O-N 3.1Å; L547-E551 PolarHBondContact O-N 2.89Å
548K68.5Low67.3Low73 Ų7376.2 Ų76.232%0.31737%0.372SS..Hα-helixtrans-60.9-36.2175.8-76.8179.5179.1174.50112.6E540 E544 K545 N552E540-K548 IonicContact OE1-NZ 2.77Å; E540-K548 PolarHBondContact OE1-NZ 3.37Å; E540-K548 IonicContact OE2-NZ 3.8Å; E540-K548 PolarHBondContact OE2-NZ 3.47Å; E544-K548 WeakPolarHBondContact O-CG 3.26Å; E544-K548 PolarHBondContact O-N 3.36Å; K545-K548 PolarHBondContact O-N 3.4Å; K548-N552 WeakPolarHBondContact O-CB 3.46Å; K548-N552 PolarHBondContact O-N 3.38Å; K548-N552 PolarHBondContact O-ND2 2.79Å
549V68.9Low67.5Low24 Ų2474.4 Ų74.415%0.14536%0.362CS..Hα-helixtrans-66.8-43174.1174.40000110.6L489 I494 K545 I546 L547 N552 I553L489-V549 HydrophobicContact CD2-CG1 4.15Å; I494-V549 HydrophobicContact CD1-CB 4.36Å; I494-V549 HydrophobicContact CD1-CG1 3.96Å; I494-V549 HydrophobicContact CD1-CG2 3.83Å; K545-V549 WeakPolarHBondContact O-CG2 3.49Å; K545-V549 PolarHBondContact O-N 3.36Å; K545-V549 VanDerWaalsContact O-N 3.11Å; I546-V549 PolarHBondContact O-N 3.05Å; L547-V549 VanDerWaalsContact C-N 3.29Å; L547-V549 PolarHBondContact O-N 3.07Å; V549-N552 PolarHBondContact O-N 3.43Å; V549-I553 HydrophobicContact CG1-CD1 3.92Å; V549-I553 VanDerWaalsContact O-CG1 3.28Å; V549-I553 WeakPolarHBondContact O-CG1 3.41Å; V549-I553 PolarHBondContact O-N 3.1Å
550Y70.3Confident68.1Low117 Ų11771.7 Ų71.746%0.45935%0.345SS..Hα-helixtrans-60.5-45.9174.6176.6-95.3000111.9L491 I546 L547 N552 I553 A554L491-Y550 HydrophobicContact CD2-CD2 4.23Å; I546-Y550 PolarHBondContact O-N 2.78Å; L547-Y550 WeakPolarHBondContact O-CA 3.4Å; L547-Y550 WeakPolarHBondContact O-CB 3.43Å; L547-Y550 PolarHBondContact O-N 3.19Å; L547-Y550 VanDerWaalsContact O-N 3.1Å; Y550-N552 PolarHBondContact O-N 3.39Å; Y550-I553 PolarHBondContact O-N 2.98Å; Y550-I553 VanDerWaalsContact O-N 3.15Å; Y550-A554 WeakPolarHBondContact O-CB 3.48Å; Y550-A554 PolarHBondContact O-N 3.22Å
551E73.1Confident68.9Low108 Ų10871.2 Ų71.251%0.50535%0.346SS..Hα-helixtrans-58.6-45.5176.2-173.3-178.1179.100111.7L547 I553 A554 L555L547-E551 PolarHBondContact O-N 2.89Å; E551-I553 VanDerWaalsContact C-N 3.32Å; E551-I553 PolarHBondContact O-N 3.27Å; E551-A554 PolarHBondContact O-N 3.38Å; E551-L555 HydrophobicContact CG-CD1 4.14Å; E551-L555 WeakPolarHBondContact O-CB 3.3Å; E551-L555 WeakPolarHBondContact O-CG 3.45Å; E551-L555 PolarHBondContact O-N 2.88Å
552N70.9Confident69.7Low85 Ų8566.7 Ų66.746%0.45534%0.338SS..Hα-helixtrans-62.1-37.6175.7-80-34.2000112.9K548 V549 Y550 K556K548-N552 WeakPolarHBondContact O-CB 3.46Å; K548-N552 PolarHBondContact O-N 3.38Å; K548-N552 PolarHBondContact O-ND2 2.79Å; V549-N552 PolarHBondContact O-N 3.43Å; Y550-N552 PolarHBondContact O-N 3.39Å; N552-K556 WeakPolarHBondContact O-CB 3.4Å; N552-K556 WeakPolarHBondContact O-CG 3.44Å; N552-K556 PolarHBondContact O-N 3.43Å; N552-K556 VanDerWaalsContact O-N 3.09Å
553I73.6Confident70.5Confident13 Ų1368.3 Ų68.37%0.06735%0.347CS..Hα-helixtrans-66.8-45.7175-68.4165.1000109.9L491 V549 Y550 E551 K556 L557 L578L491-I553 HydrophobicContact CB-CD1 4.19Å; V549-I553 HydrophobicContact CG1-CD1 3.92Å; V549-I553 VanDerWaalsContact O-CG1 3.28Å; V549-I553 WeakPolarHBondContact O-CG1 3.41Å; V549-I553 PolarHBondContact O-N 3.1Å; Y550-I553 PolarHBondContact O-N 2.98Å; Y550-I553 VanDerWaalsContact O-N 3.15Å; E551-I553 VanDerWaalsContact C-N 3.32Å; E551-I553 PolarHBondContact O-N 3.27Å; I553-K556 PolarHBondContact O-N 3.1Å; I553-L557 HydrophobicContact CG2-CD1 3.94Å; I553-L557 HydrophobicContact CG2-CG 4.46Å; I553-L557 WeakPolarHBondContact O-CG 2.9Å; I553-L557 PolarHBondContact O-N 3.27Å; I553-L578 HydrophobicContact CG2-CD1 3.81Å
554A76.3Confident71.2Confident44 Ų4467 Ų6736%0.36434%0.344SS..Hα-helixtrans-61.5-44.7178.400000112Y550 E551 K556 L557 L558Y550-A554 WeakPolarHBondContact O-CB 3.48Å; Y550-A554 PolarHBondContact O-N 3.22Å; E551-A554 PolarHBondContact O-N 3.38Å; A554-K556 PolarHBondContact O-N 3.4Å; A554-L557 PolarHBondContact O-N 3.43Å; A554-L558 WeakPolarHBondContact O-CB 3.11Å; A554-L558 PolarHBondContact O-N 3.08Å
555L76.4Confident71.8Confident94 Ų9468.6 Ų68.649%0.49236%0.363SS..Hα-helixtrans-61.8-41.8176-80.3168000112.2E551 L558 L559E551-L555 HydrophobicContact CG-CD1 4.14Å; E551-L555 WeakPolarHBondContact O-CB 3.3Å; E551-L555 WeakPolarHBondContact O-CG 3.45Å; E551-L555 PolarHBondContact O-N 2.88Å; L555-L558 PolarHBondContact O-N 2.91Å; L555-L559 WeakPolarHBondContact O-CB 3.32Å; L555-L559 PolarHBondContact O-N 2.85Å
556K72.8Confident72.1Confident58 Ų5867.8 Ų67.825%0.25236%0.363SS..Hα-helixtrans-67.3-38.6176.3-77.2-175.4179.8-169.60112.6N552 I553 A554 L558 L559 A560 I570 I574N552-K556 WeakPolarHBondContact O-CB 3.4Å; N552-K556 WeakPolarHBondContact O-CG 3.44Å; N552-K556 PolarHBondContact O-N 3.43Å; N552-K556 VanDerWaalsContact O-N 3.09Å; I553-K556 PolarHBondContact O-N 3.1Å; A554-K556 PolarHBondContact O-N 3.4Å; K556-L558 VanDerWaalsContact C-N 3.34Å; K556-L559 PolarHBondContact O-N 3.27Å; K556-A560 WeakPolarHBondContact O-CB 3.24Å; K556-A560 PolarHBondContact O-N 3.46Å; K556-I570 WeakPolarHBondContact O-CG2 3.48Å; K556-I574 HydrophobicContact CB-CD1 3.71Å; K556-I574 HydrophobicContact CD-CD1 4.45Å
557L74.5Confident72.2Confident36 Ų3668.4 Ų68.419%0.18837%0.366CS..Hα-helixtrans-64.2-41.4174.3-73169.3000111I553 A554 A560 T561 L571 I574I553-L557 HydrophobicContact CG2-CD1 3.94Å; I553-L557 HydrophobicContact CG2-CG 4.46Å; I553-L557 WeakPolarHBondContact O-CG 2.9Å; I553-L557 PolarHBondContact O-N 3.27Å; A554-L557 PolarHBondContact O-N 3.43Å; L557-A560 PolarHBondContact O-N 3.39Å; L557-T561 PolarHBondContact O-N 2.93Å; L557-T561 VanDerWaalsContact O-N 3.12Å; L557-L571 HydrophobicContact CD2-CD2 3.93Å; L557-I574 HydrophobicContact CD2-CD1 4.24Å; L557-I574 HydrophobicContact CG-CD1 4.25Å
558L74.6Confident72.2Confident61 Ų6169.8 Ų69.832%0.31937%0.374SS..Hα-helixtrans-64.4-42.8174.5-169.7110.2000112.1A554 L555 K556 A560 T561 T562 L606A554-L558 WeakPolarHBondContact O-CB 3.11Å; A554-L558 PolarHBondContact O-N 3.08Å; L555-L558 PolarHBondContact O-N 2.91Å; K556-L558 VanDerWaalsContact C-N 3.34Å; L558-A560 PolarHBondContact O-N 3.48Å; L558-T561 PolarHBondContact O-N 3.14Å; L558-T561 VanDerWaalsContact O-N 3.11Å; L558-T561 PolarHBondContact O-OG1 3.32Å; L558-T562 PolarHBondContact O-N 3.48Å; L558-T562 VanDerWaalsContact O-N 3.11Å; L558-T562 PolarHBondContact O-OG1 2.87Å; L558-L606 HydrophobicContact CD1-CD1 3.24Å; L558-L606 HydrophobicContact CD2-CD1 4.32Å; L558-L606 HydrophobicContact CG-CD1 4.39Å
559L74.1Confident72.3Confident83 Ų8372 Ų7244%0.43539%0.39SS..Hα-helixtrans-62.2-36176.3-166.879.7000111.5L555 K556 T561 T562 H563 I570L555-L559 WeakPolarHBondContact O-CB 3.32Å; L555-L559 PolarHBondContact O-N 2.85Å; K556-L559 PolarHBondContact O-N 3.27Å; L559-T561 VanDerWaalsContact C-N 3.34Å; L559-T562 PolarHBondContact O-N 3.34Å; L559-T562 PolarHBondContact O-OG1 3.28Å; L559-H563 PolarHBondContact O-N 2.94Å; L559-I570 HydrophobicContact CB-CG2 4.31Å; L559-I570 HydrophobicContact CD2-CD1 4.06Å; L559-I570 HydrophobicContact CD2-CG1 4.17Å; L559-I570 HydrophobicContact CD2-CG2 4.07Å; L559-I570 HydrophobicContact CG-CD1 4.12Å
560A73.4Confident72.1Confident2 Ų272.4 Ų72.42%0.01739%0.391CS..Hα-helixtrans-67.7-32175.300000112.5K556 L557 L558 I567 I570 L571K556-A560 WeakPolarHBondContact O-CB 3.24Å; K556-A560 PolarHBondContact O-N 3.46Å; L557-A560 PolarHBondContact O-N 3.39Å; L558-A560 PolarHBondContact O-N 3.48Å; A560-I567 HydrophobicContact CB-CG1 4.44Å; A560-I567 WeakPolarHBondContact O-CG1 3.28Å; A560-I570 HydrophobicContact CB-CB 4.44Å; A560-I570 HydrophobicContact CB-CG2 4.01Å; A560-L571 HydrophobicContact CB-CD1 4.31Å; A560-L571 HydrophobicContact CB-CD2 3.71Å; A560-L571 HydrophobicContact CB-CG 3.89Å
561T73.9Confident72Confident42 Ų4267.6 Ų67.626%0.25837%0.373SS..Hα-helixtrans-73.1-31.3174.260.20000112.6L557 L558 L559 F584 I588L557-T561 PolarHBondContact O-N 2.93Å; L557-T561 VanDerWaalsContact O-N 3.12Å; L558-T561 PolarHBondContact O-N 3.14Å; L558-T561 VanDerWaalsContact O-N 3.11Å; L558-T561 PolarHBondContact O-OG1 3.32Å; L559-T561 VanDerWaalsContact C-N 3.34Å; T561-F584 HydrophobicContact CG2-CD1 4.25Å; T561-F584 HydrophobicContact CG2-CE1 3.26Å; T561-F584 HydrophobicContact CG2-CZ 3.68Å; T561-I588 HydrophobicContact CG2-CD1 4.26Å
562T74.2Confident71.7Confident79 Ų7969.4 Ų69.449%0.48538%0.379SS..Hα-helixtrans-79.3-26.7178.258.20000113.2L558 L559 P564L558-T562 PolarHBondContact O-N 3.48Å; L558-T562 VanDerWaalsContact O-N 3.11Å; L558-T562 PolarHBondContact O-OG1 2.87Å; L559-T562 PolarHBondContact O-N 3.34Å; L559-T562 PolarHBondContact O-OG1 3.28Å; T562-P564 WeakPolarHBondContact O-CD 3.23Å
563H74Confident71.4Confident92 Ų9268.1 Ų68.143%0.42637%0.372SS..  trans-120.276.7-179.5-64.7-70000112.1L559 S565 D566 I567 I570L559-H563 PolarHBondContact O-N 2.94Å; H563-S565 PolarHBondContact O-N 2.81Å; H563-S565 VanDerWaalsContact O-N 3.16Å; H563-D566 PolarHBondContact O-N 3.18Å; H563-D566 VanDerWaalsContact O-N 3.13Å; H563-I567 PolarHBondContact O-N 2.78Å; H563-I570 HydrophobicContact CB-CD1 3.96Å
564P70.3Confident71.1Confident80 Ų8067.7 Ų67.752%0.51937%0.37SS..G310 helixtrans-63.2-24.1-175.423.8-33.2000114.1T562 D566 I567T562-P564 WeakPolarHBondContact O-CD 3.23Å; P564-D566 VanDerWaalsContact C-N 3.34Å; P564-I567 HydrophobicContact CB-CD1 4.23Å; P564-I567 WeakPolarHBondContact O-CD1 3.48Å; P564-I567 WeakPolarHBondContact O-CG1 3.35Å
565S70.4Confident70.6Confident101 Ų10166.6 Ų66.671%0.70636%0.359SS*.G310 helixtrans-69.8-27.217748.90000114H563H563-S565 PolarHBondContact O-N 2.81Å; H563-S565 VanDerWaalsContact O-N 3.16Å
566D69.2Low69.8Low73 Ų7367.5 Ų67.539%0.3936%0.361SS..G310 helixtrans-115.214.6-170.6-65.3-64000112.9H563 P564 D568 N569 I570H563-D566 PolarHBondContact O-N 3.18Å; H563-D566 VanDerWaalsContact O-N 3.13Å; P564-D566 VanDerWaalsContact C-N 3.34Å; D566-D568 VanDerWaalsContact C-N 3.28Å; D566-D568 PolarHBondContact O-N 2.83Å; D566-N569 PolarHBondContact O-N 3.4Å; D566-N569 VanDerWaalsContact O-N 3.08Å; D566-I570 HydrophobicContact CB-CD1 4.07Å; D566-I570 HydrophobicContact CB-CG1 4.41Å; D566-I570 WeakPolarHBondContact O-CG1 3.27Å; D566-I570 PolarHBondContact O-N 3.43Å
567I67.9Low69.1Low60 Ų6069.5 Ų69.531%0.30838%0.382SS..Hα-helixtrans-49.9-47.4-178.6-70.6173.8000111.6A560 H563 P564 N569 I570 L571A560-I567 HydrophobicContact CB-CG1 4.44Å; A560-I567 WeakPolarHBondContact O-CG1 3.28Å; H563-I567 PolarHBondContact O-N 2.78Å; P564-I567 HydrophobicContact CB-CD1 4.23Å; P564-I567 WeakPolarHBondContact O-CD1 3.48Å; P564-I567 WeakPolarHBondContact O-CG1 3.35Å; I567-N569 VanDerWaalsContact C-N 3.3Å; I567-N569 PolarHBondContact O-N 3.21Å; I567-I570 PolarHBondContact O-N 3.41Å; I567-L571 HydrophobicContact CG2-CD1 3.44Å; I567-L571 VanDerWaalsContact CG2-CD1 3.44Å; I567-L571 HydrophobicContact CG2-CG 4.01Å; I567-L571 VanDerWaalsContact O-CB 3.28Å; I567-L571 WeakPolarHBondContact O-CB 3.46Å; I567-L571 WeakPolarHBondContact O-CG 3.44Å; I567-L571 PolarHBondContact O-N 2.98Å
568D68.8Low68.3Low140 Ų14071.3 Ų71.375%0.74939%0.392SS*.Hα-helixtrans-64.9-35.6-175.8-69.9-29.2000112.3D566 K572D566-D568 VanDerWaalsContact C-N 3.28Å; D566-D568 PolarHBondContact O-N 2.83Å; D568-K572 PolarHBondContact O-N 3.21Å
569N70.5Confident67.4Low120 Ų12071.7 Ų71.764%0.64239%0.391SS*.Hα-helixtrans-72-44.8175.8-75-28.2000111.2D566 I567 K572D566-N569 PolarHBondContact O-N 3.4Å; D566-N569 VanDerWaalsContact O-N 3.08Å; I567-N569 VanDerWaalsContact C-N 3.3Å; I567-N569 PolarHBondContact O-N 3.21Å; N569-K572 WeakPolarHBondContact O-CB 3.5Å; N569-K572 PolarHBondContact O-N 2.97Å
570I65.3Low66Low33 Ų3374.9 Ų74.917%0.16940%0.401CS..Hα-helixtrans-66.6-43.6-178.7-64.3165.9000110.9K556 L559 A560 H563 D566 I567 K572K556-I570 WeakPolarHBondContact O-CG2 3.48Å; L559-I570 HydrophobicContact CB-CG2 4.31Å; L559-I570 HydrophobicContact CD2-CD1 4.06Å; L559-I570 HydrophobicContact CD2-CG1 4.17Å; L559-I570 HydrophobicContact CD2-CG2 4.07Å; L559-I570 HydrophobicContact CG-CD1 4.12Å; A560-I570 HydrophobicContact CB-CB 4.44Å; A560-I570 HydrophobicContact CB-CG2 4.01Å; H563-I570 HydrophobicContact CB-CD1 3.96Å; D566-I570 HydrophobicContact CB-CD1 4.07Å; D566-I570 HydrophobicContact CB-CG1 4.41Å; D566-I570 WeakPolarHBondContact O-CG1 3.27Å; D566-I570 PolarHBondContact O-N 3.43Å; I567-I570 PolarHBondContact O-N 3.41Å; I570-K572 VanDerWaalsContact C-N 3.33Å; I570-K572 PolarHBondContact O-N 3.34Å
571L67.4Low64.6Low15 Ų1578.6 Ų78.68%0.07942%0.421CS..G310 helixtrans-84.50.8-176.7-61.7-176.1000113.6L557 A560 I567 N573 I574 K579L557-L571 HydrophobicContact CD2-CD2 3.93Å; A560-L571 HydrophobicContact CB-CD1 4.31Å; A560-L571 HydrophobicContact CB-CD2 3.71Å; A560-L571 HydrophobicContact CB-CG 3.89Å; I567-L571 HydrophobicContact CG2-CD1 3.44Å; I567-L571 VanDerWaalsContact CG2-CD1 3.44Å; I567-L571 HydrophobicContact CG2-CG 4.01Å; I567-L571 VanDerWaalsContact O-CB 3.28Å; I567-L571 WeakPolarHBondContact O-CB 3.46Å; I567-L571 WeakPolarHBondContact O-CG 3.44Å; I567-L571 PolarHBondContact O-N 2.98Å; L571-N573 PolarHBondContact O-N 2.81Å; L571-I574 HydrophobicContact CD2-CD1 3.5Å; L571-I574 VanDerWaalsContact CD2-CD1 3.5Å; L571-I574 PolarHBondContact O-N 3.42Å; L571-K579 HydrophobicContact CB-CD 4.41Å; L571-K579 HydrophobicContact CB-CG 4.4Å; L571-K579 HydrophobicContact CD1-CG 4.32Å; L571-K579 WeakPolarHBondContact O-CE 3.17Å; L571-K579 PolarHBondContact O-NZ 2.88Å; L571-K579 VanDerWaalsContact O-NZ 3.1Å
572K67.7Low62.9Low146 Ų14680.8 Ų80.864%0.63544%0.436SS*.G310 helixtrans-50.8-36.3-174.9-167.9173.5-178.31770113.8D568 N569 I570D568-K572 PolarHBondContact O-N 3.21Å; N569-K572 WeakPolarHBondContact O-CB 3.5Å; N569-K572 PolarHBondContact O-N 2.97Å; I570-K572 VanDerWaalsContact C-N 3.33Å; I570-K572 PolarHBondContact O-N 3.34Å
573N65Low61.4Low58 Ų5881.9 Ų81.931%0.3144%0.439SS..G310 helixtrans-97-2.1-174.9-60.2-12.6000114.3L489 L571L489-N573 PolarHBondContact N-O 3.38Å; L571-N573 PolarHBondContact O-N 2.81Å
574I66.6Low59.8Low4 Ų481.8 Ų81.82%0.02144%0.437CS..SBendtrans-87.9138.8179.4-73.4168.8000109.2K556 L557 L571 L578 K579K556-I574 HydrophobicContact CB-CD1 3.71Å; K556-I574 HydrophobicContact CD-CD1 4.45Å; L557-I574 HydrophobicContact CD2-CD1 4.24Å; L557-I574 HydrophobicContact CG-CD1 4.25Å; L571-I574 HydrophobicContact CD2-CD1 3.5Å; L571-I574 VanDerWaalsContact CD2-CD1 3.5Å; L571-I574 PolarHBondContact O-N 3.42Å; I574-L578 HydrophobicContact CG2-CB 3.66Å; I574-L578 HydrophobicContact CG2-CD1 3.97Å; I574-L578 HydrophobicContact CG2-CG 4.44Å; I574-K579 WeakPolarHBondContact O-CE 3.25Å
575P64.5Low58.1Low21 Ų2186 Ų8614%0.13645%0.447CS..  trans-58.114117722.4-33.2000111.2L489 S577 L578L489-P575 WeakPolarHBondContact O-CD 3.19Å; P575-S577 PolarHBondContact O-N 2.84Å; P575-S577 VanDerWaalsContact O-N 3.12Å; P575-L578 HydrophobicContact CG-CD1 4.02Å; P575-L578 HydrophobicContact CG-CG 4.4Å; P575-L578 PolarHBondContact O-N 3.23Å
576E60.9Low56.6Low114 Ų11486.9 Ų86.953%0.53344%0.444SS..Hα-helixtrans-59.7-28-174.5-68.4-154.8157.500113.5L578 K579 F580E576-L578 PolarHBondContact O-N 2.93Å; E576-L578 VanDerWaalsContact O-N 3.15Å; E576-K579 HydrophobicContact CG-CD 4.44Å; E576-K579 WeakPolarHBondContact O-CB 3.27Å; E576-K579 PolarHBondContact O-N 3.23Å; E576-F580 HydrophobicContact CB-CD2 3.98Å; E576-F580 HydrophobicContact CB-CE2 4.06Å; E576-F580 HydrophobicContact CG-CE2 4.45Å; E576-F580 VanDerWaalsContact O-CD2 3.31Å; E576-F580 WeakPolarHBondContact O-CD2 3.46Å; E576-F580 PolarHBondContact O-N 3.4Å
577S58.2Low55.2Low100 Ų10089.1 Ų89.170%0.69946%0.456SS*.Hα-helixtrans-55.3-31.4174.454.60000113.5P575P575-S577 PolarHBondContact O-N 2.84Å; P575-S577 VanDerWaalsContact O-N 3.12Å
578L57.2Low53.6Low74 Ų7489.3 Ų89.339%0.38746%0.457SS..Hα-helixtrans-85.6-23.3175.3-68.9174.1000112.8I553 I574 P575 E576I553-L578 HydrophobicContact CG2-CD1 3.81Å; I574-L578 HydrophobicContact CG2-CB 3.66Å; I574-L578 HydrophobicContact CG2-CD1 3.97Å; I574-L578 HydrophobicContact CG2-CG 4.44Å; P575-L578 HydrophobicContact CG-CD1 4.02Å; P575-L578 HydrophobicContact CG-CG 4.4Å; P575-L578 PolarHBondContact O-N 3.23Å; E576-L578 PolarHBondContact O-N 2.93Å; E576-L578 VanDerWaalsContact O-N 3.15Å
579K54.9Low51.8Low69 Ų6988.8 Ų88.830%0.345%0.453SS..Hα-helixtrans-73.6-37.4176.4-59.6-174.5-173.8-173.60112.1L571 I574 E576 N581L571-K579 HydrophobicContact CB-CD 4.41Å; L571-K579 HydrophobicContact CB-CG 4.4Å; L571-K579 HydrophobicContact CD1-CG 4.32Å; L571-K579 WeakPolarHBondContact O-CE 3.17Å; L571-K579 PolarHBondContact O-NZ 2.88Å; L571-K579 VanDerWaalsContact O-NZ 3.1Å; I574-K579 WeakPolarHBondContact O-CE 3.25Å; E576-K579 HydrophobicContact CG-CD 4.44Å; E576-K579 WeakPolarHBondContact O-CB 3.27Å; E576-K579 PolarHBondContact O-N 3.23Å; K579-N581 VanDerWaalsContact C-N 3.34Å; K579-N581 PolarHBondContact O-N 3.29Å
580F45.5Very low50.1Low150 Ų15088.4 Ų88.466%0.65846%0.457SS*.THydrogen-bonded Turntrans-87.517.6-167.7-83.4-70.9000115.3E576 P582E576-F580 HydrophobicContact CB-CD2 3.98Å; E576-F580 HydrophobicContact CB-CE2 4.06Å; E576-F580 HydrophobicContact CG-CE2 4.45Å; E576-F580 VanDerWaalsContact O-CD2 3.31Å; E576-F580 WeakPolarHBondContact O-CD2 3.46Å; E576-F580 PolarHBondContact O-N 3.4Å; F580-P582 WeakPolarHBondContact O-CD 3.24Å
581N44.1Very low48.4Very low80 Ų8091.8 Ų91.843%0.42848%0.475SS..  trans-67.5109.4168.4-165.9-22.4000108.3K579 N583 F584K579-N581 VanDerWaalsContact C-N 3.34Å; K579-N581 PolarHBondContact O-N 3.29Å; N581-N583 PolarHBondContact O-N 3.44Å; N581-N583 WeakPolarHBondContact OD1-CB 3.27Å; N581-N583 PolarHBondContact OD1-N 2.78Å; N581-F584 WeakPolarHBondContact O-CB 3.19Å; N581-F584 PolarHBondContact O-N 3.24Å
582P39Very low46.7Very low88 Ų8896.3 Ų96.357%0.57150%0.503SS*.Hα-helixtrans-61-20.3-174.525.5-34.2000112.6F580 F584 N586F580-P582 WeakPolarHBondContact O-CD 3.24Å; P582-F584 PolarHBondContact O-N 2.92Å; P582-N586 PolarHBondContact O-N 2.69Å
583N43Very low44.9Very low102 Ų102100.3 Ų100.355%0.54552%0.516SS..Hα-helixtrans-66.7-24173.7-65.6-19.3000113N581 N587N581-N583 PolarHBondContact O-N 3.44Å; N581-N583 WeakPolarHBondContact OD1-CB 3.27Å; N581-N583 PolarHBondContact OD1-N 2.78Å; N583-N587 WeakPolarHBondContact O-CB 3.43Å; N583-N587 PolarHBondContact O-N 3.31Å
584F40.1Very low43.3Very low89 Ų89102.2 Ų102.239%0.3953%0.526SS..Hα-helixtrans-75.8-38-177.9-122.5-95.6000112.5T561 N581 P582T561-F584 HydrophobicContact CG2-CD1 4.25Å; T561-F584 HydrophobicContact CG2-CE1 3.26Å; T561-F584 HydrophobicContact CG2-CZ 3.68Å; N581-F584 WeakPolarHBondContact O-CB 3.19Å; N581-F584 PolarHBondContact O-N 3.24Å; P582-F584 PolarHBondContact O-N 2.92Å
585K34.9Very low41.7Very low168 Ų168107.1 Ų107.173%0.7356%0.561SS**Hα-helixtrans-82.8-35.5-177.7-155.4173.8-174.7176.70112.6
586N38.5Very low40.2Very low121 Ų121110 Ų11065%0.64758%0.582SS**Hα-helixtrans-86.6-24.4-173.3-72.7-5.3000114.3P582P582-N586 PolarHBondContact O-N 2.69Å
587N39.2Very low38.9Very low120 Ų120107.1 Ų107.164%0.64257%0.572SS**SBendtrans-88.1-7.6-173.8-73.4-9.8000115.3N583N583-N587 WeakPolarHBondContact O-CB 3.43Å; N583-N587 PolarHBondContact O-N 3.31Å
588I34.3Very low37.7Very low63 Ų63109.2 Ų109.232%0.32357%0.57SS.*SBendtrans-105.1-13.5-177.5-60179.4000112.9T561 V592T561-I588 HydrophobicContact CG2-CD1 4.26Å; I588-V592 HydrophobicContact CG2-CG2 4.29Å; I588-V592 WeakPolarHBondContact O-CG2 3.46Å
589I31.7Very low36.3Very low130 Ų130111.1 Ų111.167%0.66758%0.578SS**SBendtrans-118.672.1-178.4-44.6173.7000108.4
590P35.2Very low35.2Very low112 Ų112115.1 Ų115.173%0.72759%0.591SS**SBend-158.435.687.140.7-18.1000116.6
591N29.2Very low34.5Very low104 Ų104111.7 Ų111.756%0.55658%0.578SS**  trans-116.216.4-177.3-102.5-3.5000116.3Y593 N594N591-Y593 PolarHBondContact O-N 2.97Å; N591-N594 PolarHBondContact O-N 3.21Å
592V30.5Very low33.9Very low110 Ų110113.3 Ų113.367%0.66759%0.586SS**THydrogen-bonded Turntrans-681.9-178.3179.20000114I588I588-V592 HydrophobicContact CG2-CG2 4.29Å; I588-V592 WeakPolarHBondContact O-CG2 3.46Å
593Y30.7Very low33.5Very low230 Ų230117.8 Ų117.890%0.90259%0.591SS**THydrogen-bonded Turntrans-95.40.8175.2-84.7-77.4000116N591N591-Y593 PolarHBondContact O-N 2.97Å
594N30.3Very low33Very low98 Ų98117.7 Ų117.752%0.52459%0.591SS.*  trans-108.4119.1176.7-77.9-15.5000112N591 S596 T597N591-N594 PolarHBondContact O-N 3.21Å; N594-S596 PolarHBondContact O-N 2.79Å; N594-T597 PolarHBondContact O-N 3.26Å; N594-T597 VanDerWaalsContact O-N 3.1Å; N594-T597 PolarHBondContact O-OG1 2.58Å
595S33.2Very low32.5Very low107 Ų107119 Ų11975%0.74860%0.602SS**THydrogen-bonded Turntrans-54.6-17.4179.652.80000114.7T597S595-T597 VanDerWaalsContact C-N 3.34Å; S595-T597 PolarHBondContact O-N 3.28Å
596S34.8Very low32.1Very low82 Ų82114.7 Ų114.757%0.57359%0.587SS**Hα-helixtrans-72.1-19.9177.3560000114.5N594N594-S596 PolarHBondContact O-N 2.79Å
597T33.4Very low31.6Very low53 Ų53113.9 Ų113.933%0.32559%0.59SS.*Hα-helixtrans-79.3-21.7179.353.10000113.3N594 S595 E599 W600 I601N594-T597 PolarHBondContact O-N 3.26Å; N594-T597 VanDerWaalsContact O-N 3.1Å; N594-T597 PolarHBondContact O-OG1 2.58Å; S595-T597 VanDerWaalsContact C-N 3.34Å; S595-T597 PolarHBondContact O-N 3.28Å; T597-E599 VanDerWaalsContact C-N 3.33Å; T597-E599 PolarHBondContact O-N 2.87Å; T597-W600 PolarHBondContact O-N 3.4Å; T597-I601 VanDerWaalsContact O-CG1 3.31Å; T597-I601 WeakPolarHBondContact O-CG1 3.41Å; T597-I601 PolarHBondContact O-N 3.12Å
598Q31.7Very low30.9Very low143 Ų143114.4 Ų114.467%0.66859%0.592SS**Hα-helixtrans-63.4-40173.2-84.4-172.4-31.200111.5I601 I602Q598-I601 PolarHBondContact O-N 2.96Å; Q598-I602 VanDerWaalsContact O-CG1 3.3Å; Q598-I602 WeakPolarHBondContact O-CG1 3.46Å; Q598-I602 PolarHBondContact O-N 2.75Å
599E28.8Very low30.4Very low115 Ų115116.3 Ų116.354%0.53760%0.602SS.*Hα-helixtrans-68.8-34.7177.3-74.5-161.4174.500113.5T597 R603T597-E599 VanDerWaalsContact C-N 3.33Å; T597-E599 PolarHBondContact O-N 2.87Å; E599-R603 WeakPolarHBondContact O-CB 3.43Å; E599-R603 PolarHBondContact O-N 2.98Å; E599-R603 IonicContact OE2-CZ 3.87Å; E599-R603 IonicContact OE2-NH2 2.78Å; E599-R603 PolarHBondContact OE2-NH2 3.29Å
600W32Very low30.1Very low152 Ų152115.7 Ų115.758%0.57661%0.606SS**Hα-helixtrans-67.8-40.2178.1-176.683.2000111.8T597 R603 N604T597-W600 PolarHBondContact O-N 3.4Å; W600-R603 PolarHBondContact O-N 3.44Å; W600-N604 PolarHBondContact NE1-ND2 3.41Å; W600-N604 PolarHBondContact O-N 2.91Å
601I30.8Very low29.6Very low78 Ų78117.4 Ų117.440%0.461%0.608SS.*Hα-helixtrans-64.8-42177.8-66.1167.9000110.7T597 Q598 N605T597-I601 VanDerWaalsContact O-CG1 3.31Å; T597-I601 WeakPolarHBondContact O-CG1 3.41Å; T597-I601 PolarHBondContact O-N 3.12Å; Q598-I601 PolarHBondContact O-N 2.96Å; I601-N605 PolarHBondContact O-N 3.29Å
602I30.3Very low29.4Very low114 Ų114119.1 Ų119.159%0.58562%0.617SS**Hα-helixtrans-67.5-41.4178.3-64.1167.7000110.8Q598Q598-I602 VanDerWaalsContact O-CG1 3.3Å; Q598-I602 WeakPolarHBondContact O-CG1 3.46Å; Q598-I602 PolarHBondContact O-N 2.75Å
603R31.8Very low29.1Very low182 Ų182120.9 Ų120.969%0.68762%0.622SS**Hα-helixtrans-72.7-36.3-177.6-84.9-165.9-95.9-153.8-6.4114.7E599 W600E599-R603 WeakPolarHBondContact O-CB 3.43Å; E599-R603 PolarHBondContact O-N 2.98Å; E599-R603 IonicContact OE2-CZ 3.87Å; E599-R603 IonicContact OE2-NH2 2.78Å; E599-R603 PolarHBondContact OE2-NH2 3.29Å; W600-R603 PolarHBondContact O-N 3.44Å
604N31.8Very low29Very low101 Ų101116.7 Ų116.754%0.5462%0.621SS.*Hα-helixtrans-96.3-22.6-170.7-84.515.7000115.4W600W600-N604 PolarHBondContact NE1-ND2 3.41Å; W600-N604 PolarHBondContact O-N 2.91Å
605N30Very low28.8Very low117 Ų117119 Ų11963%0.62663%0.633SS**Hα-helixtrans-120-1.7-174.9-76.8-13.2000114.9I601I601-N605 PolarHBondContact O-N 3.29Å
606L25.4Very low28.5Very low76 Ų76121.6 Ų121.640%0.39864%0.639SS.*  trans-128.551.3-176.6-116.9109.4000112.6L558 I608L558-L606 HydrophobicContact CD1-CD1 3.24Å; L558-L606 HydrophobicContact CD2-CD1 4.32Å; L558-L606 HydrophobicContact CG-CD1 4.39Å; L606-I608 HydrophobicContact CD2-CD1 3.51Å; L606-I608 HydrophobicContact CD2-CG1 4.04Å; L606-I608 HydrophobicContact CG-CD1 4.2Å; L606-I608 HydrophobicContact CG-CG1 4.3Å; L606-I608 PolarHBondContact O-N 3.14Å
607S28.9Very low28.1Very low104 Ų104125.1 Ų125.173%0.72765%0.651SS**  trans-74.770.9158.466.50000109.1I609S607-I609 PolarHBondContact O-N 3.46Å
608I24.8Very low27.7Very low132 Ų132134 Ų13468%0.67768%0.68SS**  trans-72.2105.2160.1-61.8177.4000104.9L606 P610L606-I608 HydrophobicContact CD2-CD1 3.51Å; L606-I608 HydrophobicContact CD2-CG1 4.04Å; L606-I608 HydrophobicContact CG-CD1 4.2Å; L606-I608 HydrophobicContact CG-CG1 4.3Å; L606-I608 PolarHBondContact O-N 3.14Å; I608-P610 WeakPolarHBondContact O-CD 3.47Å
609I24.1Very low27.4Very low102 Ų102134.5 Ų134.552%0.52369%0.687SS.*  trans-62.9121178.1-61.4158.3000107.5S607 I611S607-I609 PolarHBondContact O-N 3.46Å; I609-I611 PolarHBondContact O-N 3.05Å; I609-I611 VanDerWaalsContact O-N 3.16Å
610P24.3Very low27.3Very low118 Ų118132.5 Ų132.577%0.76670%0.697SS**  trans-67.1113.5164.4-8.725000107I608 D612I608-P610 WeakPolarHBondContact O-CD 3.47Å; P610-D612 PolarHBondContact O-N 2.64Å
611I24.7Very low26.9Very low148 Ų148132.8 Ų132.876%0.75971%0.71SS**  trans-75104.3164.9-59.1164.3000104.2I609I609-I611 PolarHBondContact O-N 3.05Å; I609-I611 VanDerWaalsContact O-N 3.16Å
612D24.4Very low26.6Very low139 Ų139137.1 Ų137.174%0.74373%0.733SS**  trans177.5142.3144.2-78.9-24.7000106.6P610P610-D612 PolarHBondContact O-N 2.64Å
613D25.7Very low26.3Very low147 Ų147138.4 Ų138.479%0.78674%0.741SS**  trans77.267.6176.6-47.7-25.6000116.6
614V28.5Very low25.8Very low143 Ų143137.8 Ų137.887%0.86775%0.746SS**  trans-95.288.9156.2-179.10000107.3
615D26.3Very low25.5Very low146 Ų146139.2 Ų139.278%0.78176%0.758SS**  trans-71.6138.8168.4-79.8-38.2000110.7D617D615-D617 PolarHBondContact O-N 3.46Å
616D26.7Very low25.2Very low162 Ų162139.7 Ų139.787%0.86676%0.761SS**  trans-69.1104.6-174.1-72.3-55.2000112.6
617D25.4Very low25.1Very low155 Ų155145 Ų14583%0.82978%0.783SS**  trans-13782168.9-116.5-8.9000110.7D615D615-D617 PolarHBondContact O-N 3.46Å
618Y25.1Very low24.8Very low241 Ų241151.1 Ų151.195%0.94579%0.79SS**  trans-150.696.9170.8-111.8-85.1000111.7
619N24.6Very low24.7Very low153 Ų153151.9 Ų151.982%0.81880%0.795SS**  trans-142.788.6167.3-147.222.7000109.7
620G27Very low24.9Very low72 Ų72156.2 Ų156.274%0.74281%0.813SS**  trans-125.4113.1177.100000110.7
621N23.8Very low25Very low158 Ų158157.7 Ų157.785%0.84581%0.814SS**  trans-71130-174.5-124.9-6.6000112N623N621-N623 PolarHBondContact O-N 2.9Å
622L24.6Very low24.9Very low170 Ų170158.8 Ų158.889%0.8982%0.816SS**  trans-89.194.4-174.6-163.778.6000110
623N24.1Very low25Very low141 Ų141160.4 Ų160.475%0.75483%0.825SS**  trans-93113.6174.7-79.1-12.2000111.6N621N621-N623 PolarHBondContact O-N 2.9Å
624H21.8Very low24.9Very low168 Ų168157 Ų15778%0.77882%0.824SS**  trans-2.7117.6150.7-136.8-86.3000116.4D626H624-D626 IonicContact CE1-OD1 2.79Å; H624-D626 IonicContact ND1-OD1 3.43Å; H624-D626 PolarHBondContact ND1-OD1 2.93Å
625V25.4Very low24.8Very low132 Ų132154.4 Ų154.480%0.882%0.818SS**  trans-115.6117.8167.5176.30000108.1
626D23.9Very low24.8Very low127 Ų127154.3 Ų154.368%0.67982%0.817SS**  trans-70.6138-178.6-73.3-31.2000112.7H624H624-D626 IonicContact CE1-OD1 2.79Å; H624-D626 IonicContact ND1-OD1 3.43Å; H624-D626 PolarHBondContact ND1-OD1 2.93Å
627H22.5Very low24.7Very low186 Ų186153.2 Ų153.286%0.86181%0.812SS**  trans-73126.9169.7-77.3-80.7000110.2
628R22.7Very low24.9Very low233 Ų233153.9 Ų153.988%0.87982%0.815SS**  trans-115.4130.7163.7-76.5-169.2-166.8174.55.4110.5
629D23.8Very low24.8Very low148 Ų148150.3 Ų150.379%0.79181%0.813SS**  trans-59.2139.2178.2-55.6-59.5000112.3
630H27Very low25Very low194 Ų194151.1 Ų151.190%0.89882%0.817SS**  trans-120114.5165.8-100.1-64.6000109
631D25.9Very low24.8Very low148 Ų148151.4 Ų151.479%0.79182%0.82SS**  trans-70.9155.9-177.9-85.6-42.9000114.6
632H23Very low24.7Very low172 Ų172147.6 Ų147.680%0.79682%0.817SS**  trans-47.9147.2174.5-74.1-83.4000117.3
633N28.1Very low24.6Very low172 Ų172146.6 Ų146.692%0.9282%0.818SS**  trans-173.9127.1140.6-79.3-35.4000105.1
634G21.8Very low24.6Very low75 Ų75150.2 Ų150.277%0.77383%0.828SS**  cis119.5122.624.800000108.2
635A26.8Very low24.8Very low89 Ų89145.6 Ų145.674%0.73683%0.826SS**  trans83.1141.8176.100000118
636D26.1Very low24.8Very low144 Ų144143.2 Ų143.277%0.7783%0.828SS**  cis-163.9147.6-16.1-92.9-26.5000105.8
637D24.3Very low24.8Very low140 Ų140140 Ų14075%0.74983%0.825SS**  trans23.5123.4151.8-56.8-24.3000121.5
638D30Very low24.9Very low169 Ų169136.7 Ų136.790%0.90482%0.823SS**  -163.5113.7123.6-91.3-28.8000109.7
639D23.5Very low25.1Very low166 Ų166135 Ų13589%0.88882%0.822SS**  trans-64.8123.4172.9-99.4-36.3000110.7
640D28.3Very low25.2Very low170 Ų170133.4 Ų133.491%0.90981%0.812SS**  trans-138.8125.6155.6-105-24.3000110.4
641G23.2Very low25.3Very low78 Ų78126.9 Ų126.980%0.80479%0.789SS**  trans-68.7135.6-157.900000117.1
642G21.6Very low25.6Very low77 Ų77123.2 Ų123.279%0.79478%0.779SS**  trans12.711514500000120.9
643T23.7Very low25.8Very low149 Ų149122.1 Ų122.191%0.91477%0.774SS**  trans-120.1124138.639.60000109.7
644F23.6Very low25.9Very low217 Ų217119 Ų11995%0.95275%0.754SS**  trans-49.9132.1-175.3-100.8-111000115.2
645G26.2Very low26.1Very low72 Ų72122 Ų12274%0.74275%0.749SS**  86.560.5122.200000118.1G647G645-G647 PolarHBondContact O-N 3.36Å
646G23.9Very low26.2Very low82 Ų82124.6 Ų124.685%0.84575%0.748SS**  trans-67.7109.2164.700000111.7S648G646-S648 PolarHBondContact O-N 3.13Å
647G24.2Very low26.4Very low60 Ų60121.9 Ų121.962%0.61974%0.737SS**  trans-65.4115.9158.400000109.1G645 F649G645-G647 PolarHBondContact O-N 3.36Å; G647-F649 WeakPolarHBondContact O-CD2 3.42Å; G647-F649 PolarHBondContact O-N 3.41Å
648S26.2Very low26.4Very low115 Ų115122.9 Ų122.980%0.80474%0.739SS**  trans-65.493.618059.30000111.1G646 I650G646-S648 PolarHBondContact O-N 3.13Å; S648-I650 PolarHBondContact O-N 3.1Å
649F25.7Very low26.5Very low197 Ų197121.5 Ų121.586%0.86473%0.732SS**  trans-71.2115.9164-78.9-89.3000108.5G647 S651G647-F649 WeakPolarHBondContact O-CD2 3.42Å; G647-F649 PolarHBondContact O-N 3.41Å; F649-S651 PolarHBondContact O-N 3.16Å
650I27.1Very low26.7Very low115 Ų115121.4 Ų121.459%0.5973%0.728SS**  trans-60118.4171-64.8168.2000106.9S648 Q654S648-I650 PolarHBondContact O-N 3.1Å; I650-Q654 HydrophobicContact CG2-CB 3.87Å
651S28.7Very low26.6Very low57 Ų57120.6 Ų120.640%0.39972%0.724SS.*  trans-68.6147.5-178.668.60000110.6F649 E653 Q654 M655F649-S651 PolarHBondContact O-N 3.16Å; S651-E653 PolarHBondContact O-N 3.12Å; S651-Q654 WeakPolarHBondContact O-CB 2.97Å; S651-Q654 PolarHBondContact O-N 2.88Å; S651-M655 PolarHBondContact O-N 3.48Å
652A31Very low26.6Very low71 Ų71125.7 Ų125.759%0.58772%0.724SS**Hα-helixtrans-56.9-24.4179.900000113.2M655 M656A652-M655 PolarHBondContact O-N 3.39Å; A652-M656 PolarHBondContact O-N 2.86Å
653E28.6Very low26.9Very low150 Ų150131.1 Ų131.170%0.70173%0.725SS**Hα-helixtrans-65-39.2173.1-167.4176.9-173.100112.3S651 M655 M656 T657S651-E653 PolarHBondContact O-N 3.12Å; E653-M655 VanDerWaalsContact C-N 3.33Å; E653-M656 PolarHBondContact O-N 3.42Å; E653-T657 WeakPolarHBondContact O-CG2 3.27Å; E653-T657 PolarHBondContact O-N 3.48Å; E653-T657 PolarHBondContact O-OG1 3.31Å
654Q28.9Very low26.9Very low107 Ų107133.7 Ų133.750%0.573%0.727SS.*Hα-helixtrans-68.7-32.3173.1-73.4-179.3-1800111.8I650 S651 T657 M658I650-Q654 HydrophobicContact CG2-CB 3.87Å; S651-Q654 WeakPolarHBondContact O-CB 2.97Å; S651-Q654 PolarHBondContact O-N 2.88Å; Q654-T657 PolarHBondContact O-OG1 3.44Å; Q654-M658 WeakPolarHBondContact O-CG 3.36Å; Q654-M658 PolarHBondContact O-N 2.94Å
655M27.2Very low27Very low136 Ų136134 Ų13467%0.6772%0.723SS**Hα-helixtrans-70.3-40.3172.6-86.7-174.5164.400112.8S651 A652 E653 M658 N659S651-M655 PolarHBondContact O-N 3.48Å; A652-M655 PolarHBondContact O-N 3.39Å; E653-M655 VanDerWaalsContact C-N 3.33Å; M655-M658 PolarHBondContact O-N 3.28Å; M655-N659 PolarHBondContact O-N 3.19Å
656M28.6Very low26.7Very low145 Ų145142.2 Ų142.271%0.71473%0.732SS**Hα-helixtrans-67.7-38.4179-77.4-168.9-178.600112.3A652 E653 N659A652-M656 PolarHBondContact O-N 2.86Å; E653-M656 PolarHBondContact O-N 3.42Å; M656-N659 PolarHBondContact O-N 3.32Å
657T29.9Very low26.7Very low86 Ų86146.8 Ų146.853%0.52873%0.729SS.*Hα-helixtrans-71.3-31.9177.851.40000112.7E653 Q654 N659E653-T657 WeakPolarHBondContact O-CG2 3.27Å; E653-T657 PolarHBondContact O-N 3.48Å; E653-T657 PolarHBondContact O-OG1 3.31Å; Q654-T657 PolarHBondContact O-OG1 3.44Å; T657-N659 VanDerWaalsContact C-N 3.26Å; T657-N659 PolarHBondContact O-N 2.73Å
658M25.3Very low26.5Very low162 Ų162151.8 Ų151.880%0.79874%0.739SS**Hα-helixtrans-66.4-25175-79.9-169.517700113.7Q654 M655Q654-M658 WeakPolarHBondContact O-CG 3.36Å; Q654-M658 PolarHBondContact O-N 2.94Å; M655-M658 PolarHBondContact O-N 3.28Å
659N31.2Very low26.3Very low140 Ų140151.5 Ų151.575%0.74974%0.738SS**Hα-helixtrans-91.2-18.1-175.3-146.65.4000114.2M655 M656 T657M655-N659 PolarHBondContact O-N 3.19Å; M656-N659 PolarHBondContact O-N 3.32Å; T657-N659 VanDerWaalsContact C-N 3.26Å; T657-N659 PolarHBondContact O-N 2.73Å
660M27.4Very low26Very low164 Ų164150.7 Ų150.781%0.80874%0.738SS**Hα-helixtrans-84.8-15.5-176.9-70-69.8-100.800114.3K662M660-K662 PolarHBondContact O-N 2.7Å
661N25.9Very low25.8Very low152 Ų152151.5 Ų151.581%0.81374%0.744SS**THydrogen-bonded Turntrans-88.613.6-174.2-87.2-9.5000116.2
662K24.5Very low25.5Very low186 Ų186155.2 Ų155.281%0.80977%0.765SS**  trans-128.487.7173.2-81.8-177.3179.41720112.1M660M660-K662 PolarHBondContact O-N 2.7Å
663K26.7Very low25Very low190 Ų190157.9 Ų157.983%0.82677%0.769SS**  trans179.594.3137.8-95.8151.5-171.8179.30110.1Y665K663-Y665 PolarHBondContact O-N 2.86Å
664Q24.2Very low24.7Very low204 Ų204157.7 Ų157.795%0.95377%0.773SS**  trans-63.9124.6165.4-81.4172-40.100109.7
665Y26.1Very low24.4Very low222 Ų222160.1 Ų160.187%0.87179%0.788SS**  trans-69.9132.4-177.4-69.2-97.9000111.5K663 K667K663-Y665 PolarHBondContact O-N 2.86Å; Y665-K667 PolarHBondContact O-N 3.27Å
666R20.2Very low24.1Very low246 Ų246160.6 Ų160.693%0.92879%0.792SS**  trans-73.6104.3168.5-92.2-176.8171.5170.7-3.2108.8I668R666-I668 PolarHBondContact O-N 3.42Å
667K22.6Very low23.8Very low178 Ų178163.3 Ų163.377%0.77480%0.8SS**  trans-62.7117.2165.2-84.4-178.4170.7-176.90109.6Y665Y665-K667 PolarHBondContact O-N 3.27Å
668I20.1Very low23.4Very low164 Ų164164.6 Ų164.684%0.84180%0.804SS**  trans-96.299.8158.8-65.1174.1000104.7R666 M670R666-I668 PolarHBondContact O-N 3.42Å; I668-M670 PolarHBondContact O-N 2.97Å
669S21.6Very low23.2Very low110 Ų110165 Ų16577%0.76980%0.804SS**  trans-78.1115.4178.656.40000109.7
670M20.3Very low22.8Very low179 Ų179167 Ų16788%0.88281%0.814SS**  trans-103.4137.1155.5-84.6-168.4170.100109I668I668-M670 PolarHBondContact O-N 2.97Å
671N21.7Very low22.5Very low133 Ų133163.8 Ų163.871%0.71181%0.807SS**  trans-90.6110.6-163.3-168.822.1000109.5
672T23.3Very low22.3Very low135 Ų135164.2 Ų164.283%0.82880%0.804SS**  trans-126.873.6168.546.40000108.2D674T672-D674 PolarHBondContact O-N 3.39Å
673N21.4Very low22.2Very low127 Ų127161.4 Ų161.468%0.67980%0.798SS**  trans-68.9110.7156.7-71-20.5000106.7
674D21.4Very low22Very low145 Ų145159.5 Ų159.578%0.77580%0.797SS**  trans156106.8141.3-76.7-16.5000106.8T672T672-D674 PolarHBondContact O-N 3.39Å
675I22.9Very low21.8Very low159 Ų159158.4 Ų158.482%0.81579%0.791SS**  trans168104.1133.7-79.6151.1000107.4F677I675-F677 HydrophobicContact CG2-CD2 4.36Å
676L19.9Very low21.6Very low146 Ų146158.2 Ų158.276%0.76480%0.795SS**  trans-63.3125.5169.5-172.995.7000109.7
677F23.3Very low21.6Very low202 Ų202151.1 Ų151.189%0.88678%0.784SS**  trans-135106.9157-113.8-82.5000109.9I675I675-F677 HydrophobicContact CG2-CD2 4.36Å
678D20.4Very low21.5Very low112 Ų112150 Ų15060%0.59978%0.784SS**  trans-75.7146.4177.4-103.3-38000111.8
679Q21.5Very low21.5Very low170 Ų170153.7 Ų153.779%0.79479%0.789SS**  trans58.8105.8146.8-64.2-179.5-10.300119.2
680L22.4Very low21.6Very low184 Ų184152.9 Ų152.996%0.96379%0.789SS**  trans-151.3107.7131.1-99171.3000109.5
681S22Very low21.8Very low95 Ų95150 Ų15066%0.66479%0.787SS**  trans-98.9159.6178.458.50000111.6
682H21.1Very low21.7Very low162 Ų162151.9 Ų151.975%0.7580%0.797SS**  trans94.5121.7151-80-66000121.9
683N21.9Very low21.9Very low126 Ų126151 Ų15167%0.67480%0.796SS**  trans93.2105.5138.1-63.4-8.9000119.4
684N23.7Very low22.2Very low151 Ų151154.9 Ų154.981%0.80781%0.807SS**  173.5140.784.1-96.7-23.6000113.3
685Q19.9Very low22.4Very low180 Ų180159.3 Ų159.384%0.84181%0.813SS**  trans-74.1143.7179.4-65.3162.8-47.300112.6
686F21.2Very low22.5Very low218 Ų218162.4 Ų162.496%0.95682%0.821SS**  trans-145.9128.6153.6-95.1-78.2000112
687S21.4Very low22.8Very low98 Ų98158.7 Ų158.769%0.68582%0.817SS**  trans-100.6130.2-168.850.80000114
688I21Very low23Very low153 Ų153158.1 Ų158.179%0.78582%0.817SS**  trans32.4116133.8-51.8175.3000118.6A690I688-A690 HydrophobicContact CG2-CB 4.27Å
689Y19.6Very low23.7Very low242 Ų242160.7 Ų160.795%0.94983%0.83SS**  trans-116.5115.4147-83.4-85.5000108.6
690A23.5Very low24.2Very low93 Ų93157.4 Ų157.477%0.76982%0.818SS**  trans-110119.6173.500000108.8I688I688-A690 HydrophobicContact CG2-CB 4.27Å
691S23.3Very low24.9Very low118 Ų118154.2 Ų154.283%0.82580%0.801SS**  trans-117.5120172.165.90000110.6
692N21.3Very low25.4Very low174 Ų174154.9 Ų154.993%0.9380%0.798SS**  trans-58.3130.8177.1-75.2-39.2000113.3
693S27.6Very low26.3Very low115 Ų115153.5 Ų153.580%0.80479%0.791SS**  trans-142.192.5165.5163.40000109.4
694K26.5Very low27Very low210 Ų210150.3 Ų150.391%0.91378%0.783SS**  trans-82.5105.3164.6-78.2-179.7177.11770108.6
695R25.3Very low27.4Very low237 Ų237148.2 Ų148.289%0.89477%0.766SS**  trans-146.3125151.2-78.8-164.5-175.2172.82.2109.9G697R695-G697 PolarHBondContact O-N 3.19Å; R695-G697 VanDerWaalsContact O-N 3.16Å
696K25.7Very low28.1Very low225 Ų225143.9 Ų143.998%0.97875%0.749SS**  trans-54.5112.9167.2-71.8175.3174177.70107.9
697G26.6Very low29Very low67 Ų67137.5 Ų137.569%0.69173%0.725SS**  trans-147.9124.6-174.500000110.4R695R695-G697 PolarHBondContact O-N 3.19Å; R695-G697 VanDerWaalsContact O-N 3.16Å
698Q27.4Very low29.6Very low191 Ų191138.6 Ų138.689%0.89372%0.723SS**  trans-43.5133.9175.2-164.1164.3-10.100111.7D700Q698-D700 PolarHBondContact O-N 3.42Å
699L34.2Very low30.1Very low165 Ų165134.8 Ų134.886%0.86470%0.703SS**  trans-43.292.5-172.8-143.799.3000112.6L701L699-L701 PolarHBondContact O-N 3.16Å
700D32.8Very low30.8Very low102 Ų102130 Ų13055%0.54569%0.687SS.*  trans-85.897.5-178.5-150.4-19.3000108.1Q698 N702 E703Q698-D700 PolarHBondContact O-N 3.42Å; D700-N702 PolarHBondContact O-N 3.22Å; D700-E703 PolarHBondContact O-N 3.47Å
701L36.1Very low31.1Very low117 Ų117134.6 Ų134.661%0.61369%0.686SS**Hα-helixtrans-53-22.6-177.6-101.2150.7000113.3L699 E703 A704 F705L699-L701 PolarHBondContact O-N 3.16Å; L701-E703 VanDerWaalsContact C-N 3.29Å; L701-E703 PolarHBondContact O-N 3.4Å; L701-A704 PolarHBondContact O-N 3.03Å; L701-F705 WeakPolarHBondContact O-CB 3.23Å; L701-F705 PolarHBondContact O-N 3.5Å
702N34Very low31.3Very low109 Ų109135.6 Ų135.658%0.58367%0.672SS**Hα-helixtrans-63.5-33.8173.6-72.2-35000112.6D700 N706D700-N702 PolarHBondContact O-N 3.22Å; N702-N706 VanDerWaalsContact O-CB 3.3Å; N702-N706 WeakPolarHBondContact O-CB 3.41Å; N702-N706 VanDerWaalsContact O-CG 3.22Å; N702-N706 PolarHBondContact O-N 3.02Å; N702-N706 PolarHBondContact O-ND2 3.14Å
703E38.9Very low31.7Very low133 Ų133132.5 Ų132.562%0.62165%0.654SS**Hα-helixtrans-76.3-42.7178.6-163.6151.4-15500110.7D700 L701 F705 N706 D707D700-E703 PolarHBondContact O-N 3.47Å; L701-E703 VanDerWaalsContact C-N 3.29Å; L701-E703 PolarHBondContact O-N 3.4Å; E703-F705 VanDerWaalsContact C-N 3.3Å; E703-F705 PolarHBondContact O-N 3.14Å; E703-N706 PolarHBondContact O-N 3.06Å; E703-D707 WeakPolarHBondContact O-CB 3.36Å; E703-D707 PolarHBondContact O-N 2.9Å
704A36.6Very low31.8Very low59 Ų59129.1 Ų129.149%0.48864%0.637SS.*Hα-helixtrans-61.5-37.3172.200000112.6L701 L708L701-A704 PolarHBondContact O-N 3.03Å; A704-L708 WeakPolarHBondContact O-CB 3.26Å; A704-L708 PolarHBondContact O-N 3.41Å
705F31.7Very low32Very low106 Ų106122.7 Ų122.747%0.46562%0.616SS.*Hα-helixtrans-68.4-41.8174.8-176.4-103.3000111.9L701 E703 L708 L709L701-F705 WeakPolarHBondContact O-CB 3.23Å; L701-F705 PolarHBondContact O-N 3.5Å; E703-F705 VanDerWaalsContact C-N 3.3Å; E703-F705 PolarHBondContact O-N 3.14Å; F705-L708 PolarHBondContact O-N 3.11Å; F705-L709 HydrophobicContact CD1-CD1 3.78Å; F705-L709 HydrophobicContact CE1-CD1 3.35Å; F705-L709 HydrophobicContact CE1-CG 4.34Å; F705-L709 HydrophobicContact CZ-CD1 3.83Å; F705-L709 HydrophobicContact CZ-CG 4.48Å; F705-L709 WeakPolarHBondContact O-CB 3.35Å; F705-L709 WeakPolarHBondContact O-CG 3.41Å; F705-L709 PolarHBondContact O-N 2.92Å
706N36.4Very low32.1Very low89 Ų89115.9 Ų115.948%0.47660%0.596SS.*Hα-helixtrans-67.5-34.7175-79.8-27.2000112.6N702 E703 L709 K710N702-N706 VanDerWaalsContact O-CB 3.3Å; N702-N706 WeakPolarHBondContact O-CB 3.41Å; N702-N706 VanDerWaalsContact O-CG 3.22Å; N702-N706 PolarHBondContact O-N 3.02Å; N702-N706 PolarHBondContact O-ND2 3.14Å; E703-N706 PolarHBondContact O-N 3.06Å; N706-L709 PolarHBondContact O-N 3.04Å; N706-K710 WeakPolarHBondContact O-CB 3.4Å; N706-K710 WeakPolarHBondContact O-CG 3.5Å; N706-K710 PolarHBondContact O-N 2.93Å
707D38.8Very low32.3Very low85 Ų85114.2 Ų114.246%0.45559%0.589SS.*Hα-helixtrans-71-38.8176.6-78.5-15.5000111.6E703 L709 K710 Y711E703-D707 WeakPolarHBondContact O-CB 3.36Å; E703-D707 PolarHBondContact O-N 2.9Å; D707-L709 VanDerWaalsContact C-N 3.33Å; D707-L709 PolarHBondContact O-N 3.19Å; D707-K710 PolarHBondContact O-N 3.28Å; D707-Y711 WeakPolarHBondContact O-CB 3.42Å; D707-Y711 PolarHBondContact O-N 2.84Å
708L35.2Very low32.4Very low121 Ų121119.4 Ų119.463%0.63460%0.595SS**Hα-helixtrans-66.6-36.7173.5-159.3135.2000111.5A704 F705 R712A704-L708 WeakPolarHBondContact O-CB 3.26Å; A704-L708 PolarHBondContact O-N 3.41Å; F705-L708 PolarHBondContact O-N 3.11Å; L708-R712 PolarHBondContact O-N 2.94Å
709L30.5Very low32.4Very low72 Ų72117.7 Ų117.738%0.37759%0.587SS.*Hα-helixtrans-69-42.3171.9-81.8172.1000112.7F705 N706 D707 Y711 R712 I713F705-L709 HydrophobicContact CD1-CD1 3.78Å; F705-L709 HydrophobicContact CE1-CD1 3.35Å; F705-L709 HydrophobicContact CE1-CG 4.34Å; F705-L709 HydrophobicContact CZ-CD1 3.83Å; F705-L709 HydrophobicContact CZ-CG 4.48Å; F705-L709 WeakPolarHBondContact O-CB 3.35Å; F705-L709 WeakPolarHBondContact O-CG 3.41Å; F705-L709 PolarHBondContact O-N 2.92Å; N706-L709 PolarHBondContact O-N 3.04Å; D707-L709 VanDerWaalsContact C-N 3.33Å; D707-L709 PolarHBondContact O-N 3.19Å; L709-Y711 VanDerWaalsContact C-N 3.32Å; L709-Y711 PolarHBondContact O-N 3.48Å; L709-R712 CarbonylContact O-C 3.57Å; L709-R712 PolarHBondContact O-N 3.23Å; L709-R712 VanDerWaalsContact O-N 3.12Å; L709-I713 WeakPolarHBondContact O-CG1 3.29Å; L709-I713 PolarHBondContact O-N 3.36Å
710K33.7Very low31.9Very low141 Ų141116.3 Ų116.361%0.61358%0.579SS**Hα-helixtrans-62.5-40.3175.7-85.3177.1-178.7169.80111.6N706 D707 R712 I713 G714N706-K710 WeakPolarHBondContact O-CB 3.4Å; N706-K710 WeakPolarHBondContact O-CG 3.5Å; N706-K710 PolarHBondContact O-N 2.93Å; D707-K710 PolarHBondContact O-N 3.28Å; K710-R712 PolarHBondContact O-N 2.92Å; K710-I713 PolarHBondContact O-N 2.93Å; K710-G714 PolarHBondContact O-N 3.26Å
711Y31.1Very low31.6Very low191 Ų191117 Ų11775%0.74959%0.59SS**Hα-helixtrans-60.1-37.3175-164.6-96.1000111.1D707 L709 T715D707-Y711 WeakPolarHBondContact O-CB 3.42Å; D707-Y711 PolarHBondContact O-N 2.84Å; L709-Y711 VanDerWaalsContact C-N 3.32Å; L709-Y711 PolarHBondContact O-N 3.48Å; Y711-T715 PolarHBondContact O-N 2.95Å
712R27.5Very low31.2Very low139 Ų139118.8 Ų118.853%0.52560%0.599SS.*Hα-helixtrans-78.3-32.4177.4-132.4174.6-176.7-176.1-0.2114.1L708 L709 K710 G714 T715 I716L708-R712 PolarHBondContact O-N 2.94Å; L709-R712 CarbonylContact O-C 3.57Å; L709-R712 PolarHBondContact O-N 3.23Å; L709-R712 VanDerWaalsContact O-N 3.12Å; K710-R712 PolarHBondContact O-N 2.92Å; R712-G714 VanDerWaalsContact C-N 3.3Å; R712-T715 PolarHBondContact O-N 2.94Å; R712-T715 PolarHBondContact O-OG1 3.4Å; R712-I716 WeakPolarHBondContact O-CG1 2.88Å; R712-I716 PolarHBondContact O-N 2.86Å
713I28.6Very low30.8Very low108 Ų108120.8 Ų120.855%0.55461%0.61SS**Hα-helixtrans-69-34.3173.2-68166.3000110.3L709 K710 T715 I716 K717L709-I713 WeakPolarHBondContact O-CG1 3.29Å; L709-I713 PolarHBondContact O-N 3.36Å; K710-I713 PolarHBondContact O-N 2.93Å; I713-T715 VanDerWaalsContact C-N 3.29Å; I713-T715 PolarHBondContact O-N 3.43Å; I713-I716 PolarHBondContact O-N 3.44Å; I713-K717 PolarHBondContact O-N 3.09Å
714G29.2Very low30.1Very low44 Ų44121.6 Ų121.645%0.45462%0.618SS.*Hα-helixtrans-58.7-38.517300000113K710 R712K710-G714 PolarHBondContact O-N 3.26Å; R712-G714 VanDerWaalsContact C-N 3.3Å
715T32.2Very low29.5Very low75 Ų75124.9 Ų124.946%0.4663%0.633SS.*Hα-helixtrans-75.5-30.5177.854.90000112.9Y711 R712 I713 H718Y711-T715 PolarHBondContact O-N 2.95Å; R712-T715 PolarHBondContact O-N 2.94Å; R712-T715 PolarHBondContact O-OG1 3.4Å; I713-T715 VanDerWaalsContact C-N 3.29Å; I713-T715 PolarHBondContact O-N 3.43Å; T715-H718 PolarHBondContact O-N 3.28Å
716I27.8Very low29.1Very low94 Ų94127.4 Ų127.448%0.48265%0.651SS.*Hα-helixtrans-73-29.9-178.8-67.9167000112.1R712 I713 H718 Q719R712-I716 WeakPolarHBondContact O-CG1 2.88Å; R712-I716 PolarHBondContact O-N 2.86Å; I713-I716 PolarHBondContact O-N 3.44Å; I716-H718 PolarHBondContact O-N 3.45Å; I716-H718 VanDerWaalsContact O-N 3.14Å; I716-Q719 PolarHBondContact O-N 3.13Å
717K29Very low28.7Very low191 Ų191131 Ų13183%0.8367%0.67SS**THydrogen-bonded Turntrans-67.7-13.9179-133.8179.2-174.5-176.80113.7I713I713-K717 PolarHBondContact O-N 3.09Å
718H29.5Very low28.1Very low175 Ų175132.9 Ų132.981%0.8169%0.685SS**THydrogen-bonded Turntrans-90.2-1.6176.4-96.8-75000114.8T715 I716T715-H718 PolarHBondContact O-N 3.28Å; I716-H718 PolarHBondContact O-N 3.45Å; I716-H718 VanDerWaalsContact O-N 3.14Å
719Q26.8Very low27.6Very low156 Ų156134.6 Ų134.673%0.72969%0.694SS**SBendtrans-118.520.7-170.3-73.9-172.9-2900116I716I716-Q719 PolarHBondContact O-N 3.13Å
720L24.6Very low27.6Very low135 Ų135136.7 Ų136.771%0.70771%0.706SS**  trans-130.789.7-180-77.3157.3000112L722L720-L722 PolarHBondContact O-N 3.24Å
721P26.5Very low27.2Very low117 Ų117136.7 Ų136.776%0.7671%0.713SS**  trans-73.5111.7158.426.2-18.8000108D723P721-D723 PolarHBondContact O-N 3.37Å
722L26.1Very low27Very low154 Ų154134.2 Ų134.281%0.80671%0.713SS**  trans-72.684177.9-75.8155.8000110.2L720 N724L720-L722 PolarHBondContact O-N 3.24Å; L722-N724 PolarHBondContact O-N 3.35Å
723D25.5Very low27.1Very low152 Ų152132.8 Ų132.881%0.81372%0.716SS**  trans-83.192.4165.1-88.2-13000110.1P721 T725P721-D723 PolarHBondContact O-N 3.37Å; D723-T725 PolarHBondContact O-N 2.75Å
724N23.8Very low27Very low149 Ų149133 Ų13380%0.79772%0.716SS**  trans-62.996164.9-90.7-21.7000109.7L722L722-N724 PolarHBondContact O-N 3.35Å
725T25Very low26.7Very low129 Ų129138.2 Ų138.279%0.79173%0.729SS**  trans-125.3106.5156.950.40000110.3D723 N727D723-T725 PolarHBondContact O-N 2.75Å; T725-N727 PolarHBondContact O-N 3.47Å
726N24.1Very low26.5Very low159 Ų159142.3 Ų142.385%0.8575%0.745SS**  trans-54.6120.2169.8-71-35.2000110
727N26.7Very low26.4Very low165 Ų165139.9 Ų139.988%0.88274%0.743SS**  trans-150.3102.4152.1-105.7-22.1000111.2T725 N729T725-N727 PolarHBondContact O-N 3.47Å; N727-N729 PolarHBondContact O-N 3.39Å
728T26Very low26.3Very low124 Ų124136.4 Ų136.476%0.76173%0.732SS**  trans-66115.5164.545.30000109.8
729N26.5Very low26.1Very low156 Ų156133.2 Ų133.283%0.83472%0.721SS**  trans162.688.8144.5-85.7-17.3000109.7N727N727-N729 PolarHBondContact O-N 3.39Å
730N29.3Very low26.1Very low117 Ų117132.6 Ų132.663%0.62672%0.718SS**  trans-150.952.6168.8-113.7-8.6000112N732N730-N732 VanDerWaalsContact C-N 3.28Å; N730-N732 PolarHBondContact O-N 3.32Å
731N25.9Very low26.2Very low140 Ų140132.2 Ų132.275%0.74972%0.716SS**THydrogen-bonded Turntrans-77.8-7.4175.5-84.3-2.4000114.1
732N26.7Very low26.1Very low139 Ų139134.2 Ų134.274%0.74371%0.713SS**THydrogen-bonded Turntrans-85.9-12.7-178-67.8-1.4000113.9N730N730-N732 VanDerWaalsContact C-N 3.28Å; N730-N732 PolarHBondContact O-N 3.32Å
733N29Very low26.1Very low110 Ų110136.2 Ų136.259%0.58871%0.711SS**SBendtrans-84.6-13.8-178.3-69.1-11.7000113.5
734I27.1Very low26.1Very low111 Ų111132.9 Ų132.957%0.56970%0.696SS**Hα-helixtrans-77.6-29.9-177.7-60.9176.1000111.3M736 G737I734-M736 VanDerWaalsContact C-N 3.35Å; I734-M736 PolarHBondContact O-N 2.91Å; I734-G737 PolarHBondContact O-N 3.41Å
735E23.8Very low26.2Very low154 Ų154130.5 Ų130.572%0.7269%0.687SS**Hα-helixtrans-73.2-26.2-178.1-128.9177.6-178.100113.1
736M26.3Very low26.2Very low162 Ų162133.7 Ų133.780%0.79869%0.69SS**Hα-helixtrans-71.7-31.7175.6-120.7-179.4-167.600112.5I734I734-M736 VanDerWaalsContact C-N 3.35Å; I734-M736 PolarHBondContact O-N 2.91Å
737G26.4Very low26.3Very low42 Ų42134 Ų13443%0.43369%0.688SS.*Hα-helixtrans-69.4-35.2-178.400000113.9I734 N739 H740 L741I734-G737 PolarHBondContact O-N 3.41Å; G737-N739 VanDerWaalsContact C-N 3.35Å; G737-N739 PolarHBondContact O-N 3.32Å; G737-H740 PolarHBondContact O-N 2.88Å; G737-L741 PolarHBondContact O-N 3.46Å
738I26.3Very low26.2Very low118 Ų118132.8 Ų132.861%0.60568%0.682SS**Hα-helixtrans-70.2-33.8-177.5-62.5176.1000111.3L741I738-L741 PolarHBondContact O-N 3.08Å
739N25.7Very low26.1Very low109 Ų109138 Ų13858%0.58369%0.689SS**Hα-helixtrans-73.4-29.7177.8-76.2-28.7000112.8G737 L741 K742 Y743G737-N739 VanDerWaalsContact C-N 3.35Å; G737-N739 PolarHBondContact O-N 3.32Å; N739-L741 VanDerWaalsContact C-N 3.35Å; N739-K742 PolarHBondContact O-N 2.94Å; N739-Y743 WeakPolarHBondContact O-CD2 3.46Å
740H26.3Very low26.1Very low143 Ų143137.1 Ų137.166%0.66268%0.683SS**Hα-helixtrans-71.2-30.8176.6-157.1-93000112.2G737 K742 Y743G737-H740 PolarHBondContact O-N 2.88Å; H740-K742 VanDerWaalsContact C-N 3.31Å; H740-K742 PolarHBondContact O-N 3.41Å; H740-Y743 PolarHBondContact O-N 3.04Å
741L26.6Very low26Very low126 Ų126138 Ų13866%0.6669%0.687SS**Hα-helixtrans-71.7-23.1177.3-127.187.2000113.6G737 I738 N739 Y743 T744G737-L741 PolarHBondContact O-N 3.46Å; I738-L741 PolarHBondContact O-N 3.08Å; N739-L741 VanDerWaalsContact C-N 3.35Å; L741-Y743 VanDerWaalsContact C-N 3.25Å; L741-Y743 PolarHBondContact O-N 3.18Å; L741-T744 PolarHBondContact O-OG1 3.2Å
742K24Very low25.8Very low160 Ų160139.7 Ų139.770%0.69669%0.691SS**Hα-helixtrans-75-15.6179.7-147.1174.2-172.5175.70113.2N739 H740 T745N739-K742 PolarHBondContact O-N 2.94Å; H740-K742 VanDerWaalsContact C-N 3.31Å; H740-K742 PolarHBondContact O-N 3.41Å; K742-T745 PolarHBondContact O-OG1 3.23Å; K742-T745 VanDerWaalsContact O-OG1 3.04Å
743Y26.4Very low26Very low196 Ų196137.9 Ų137.977%0.76969%0.687SS**Hα-helixtrans-91.3-19.6177.7-75.8-74.2000113.6N739 H740 L741N739-Y743 WeakPolarHBondContact O-CD2 3.46Å; H740-Y743 PolarHBondContact O-N 3.04Å; L741-Y743 VanDerWaalsContact C-N 3.25Å; L741-Y743 PolarHBondContact O-N 3.18Å
744T26.7Very low25.8Very low81 Ų81140.7 Ų140.750%0.49769%0.694SS.*Hα-helixtrans-79.8-20.7177.455.30000112.8L741 K746 M747L741-T744 PolarHBondContact O-OG1 3.2Å; T744-K746 PolarHBondContact O-N 3.29Å; T744-M747 PolarHBondContact O-N 3.47Å
745T25.9Very low25.7Very low100 Ų100144 Ų14461%0.61371%0.707SS**THydrogen-bonded Turntrans-72.810.3177.345.20000115.5K742K742-T745 PolarHBondContact O-OG1 3.23Å; K742-T745 VanDerWaalsContact O-OG1 3.04Å
746K25.2Very low25.8Very low196 Ų196141 Ų14185%0.85270%0.703SS**THydrogen-bonded Turntrans-103.313.3171.9-96.1-174.9177.9-179.90114.1T744 D748T744-K746 PolarHBondContact O-N 3.29Å; K746-D748 VanDerWaalsContact C-N 3.32Å; K746-D748 PolarHBondContact O-N 2.9Å
747M24.6Very low25.8Very low164 Ų164141.4 Ų141.481%0.80871%0.705SS**  trans-85.710.4178.5-81.6-66.3-177.900115.4T744 Y749T744-M747 PolarHBondContact O-N 3.47Å; M747-Y749 PolarHBondContact O-N 3.12Å
748D25.3Very low25.8Very low141 Ų141147.1 Ų147.175%0.75472%0.72SS**  trans-80.176176.8-68.2-17.3000112.1K746K746-D748 VanDerWaalsContact C-N 3.32Å; K746-D748 PolarHBondContact O-N 2.9Å
749Y23.1Very low25.8Very low234 Ų234148.8 Ų148.892%0.91873%0.73SS**  trans-155.753.4159-99.5-74.6000110.8M747M747-Y749 PolarHBondContact O-N 3.12Å
750I27.4Very low26Very low137 Ų137152.7 Ų152.770%0.70375%0.745SS**SBendtrans-133.4124.7160.6-60.5-179.6000106.2
751D27.4Very low26.2Very low134 Ų134153.4 Ų153.472%0.71775%0.748SS**SBendtrans74.542.8170.1-56.6-19.2000119.7
752Q22.4Very low26.3Very low176 Ų176156.9 Ų156.982%0.82276%0.758SS**  trans-99.1115.6146.7-75.3-163.7-7.700109.4K754Q752-K754 PolarHBondContact O-N 2.91Å
753P30.3Very low26.6Very low102 Ų102158.7 Ų158.766%0.66277%0.766SS**  trans-58.8139.2170.226.6-30.5000106.7Q755P753-Q755 PolarHBondContact O-N 3.41Å
754K25.2Very low26.8Very low168 Ų168158 Ų15873%0.7377%0.77SS**  trans-56.283165.9-69175.1-178.9171.10107.6Q752 S756Q752-K754 PolarHBondContact O-N 2.91Å; K754-S756 PolarHBondContact O-N 3.3Å
755Q24.4Very low26.7Very low181 Ų181160 Ų16085%0.84678%0.782SS**  trans-70.575.6156.3-81.1-176.6-12.700104.5P753 M757P753-Q755 PolarHBondContact O-N 3.41Å; Q755-M757 PolarHBondContact O-N 3.25Å
756S26.1Very low26.7Very low90 Ų90164 Ų16463%0.62979%0.794SS**  trans-52.595.5157.151.60000106.3K754 Q758K754-S756 PolarHBondContact O-N 3.3Å; S756-Q758 VanDerWaalsContact C-N 3.34Å; S756-Q758 PolarHBondContact O-N 3.21Å
757M26Very low26.8Very low171 Ų171163.2 Ų163.284%0.84279%0.793SS**SBendtrans28.965.6142.9-156.3176.8-67.200114.2Q755Q755-M757 PolarHBondContact O-N 3.25Å
758Q25.8Very low26.8Very low163 Ų163163.2 Ų163.276%0.76280%0.796SS**  trans-116.960.6161.2-74.4-173.7-23.700107S756S756-Q758 VanDerWaalsContact C-N 3.34Å; S756-Q758 PolarHBondContact O-N 3.21Å
759L28.1Very low26.8Very low152 Ų152163.7 Ų163.780%0.79680%0.798SS**  trans-99.415.3174-125.3137.1000112
760E29.3Very low27Very low192 Ų192159.9 Ų159.990%0.89779%0.792SS**SBendtrans-113.71.6177.2-85.6-171.7159.300116.1
761E30Very low26.9Very low158 Ų158161.9 Ų161.974%0.73880%0.799SS**SBendtrans-102.50172-80.8-176.1163.300114.8K763E761-K763 PolarHBondContact O-N 3.15Å
762F29.4Very low26.9Very low198 Ų198163.5 Ų163.587%0.86880%0.801SS**THydrogen-bonded Turntrans-84.420.9177-111.7-78.2000115.3
763K30.8Very low27Very low198 Ų198162.6 Ų162.686%0.86180%0.802SS**THydrogen-bonded Turntrans-130.415.5174.8-90.8-164.3176.5-172.40116.9E761E761-K763 PolarHBondContact O-N 3.15Å
764Q29.2Very low26.8Very low183 Ų183164.8 Ų164.886%0.85580%0.804SS**SBendtrans-134.531174.5-75.2-167-13.900116.2
765T24.8Very low27Very low123 Ų123163.6 Ų163.676%0.75581%0.805SS**  trans-133.554.6164.640.80000111.3
766E25.6Very low27Very low183 Ų183162.4 Ų162.486%0.85580%0.797SS**  trans-83.7138.4145.9-85.3-178.5156.200107.6
767Q27.1Very low27.2Very low179 Ų179165.1 Ų165.184%0.83681%0.805SS**  trans81.966.3173.2-48.9-179.22.100116.8
768L25.8Very low27.2Very low164 Ų164162.7 Ų162.786%0.85980%0.8SS**  trans-121.4109143.4-86.6164.9000108.2I770L768-I770 PolarHBondContact O-N 2.8Å
769N25.1Very low27.4Very low151 Ų151162.7 Ų162.781%0.80780%0.803SS**  trans-49.8125179.6-71.2-28.9000110.7E771N769-E771 VanDerWaalsContact C-N 3.25Å; N769-E771 PolarHBondContact O-N 3.4Å
770I27.3Very low27.3Very low155 Ų155163.6 Ų163.680%0.79580%0.803SS**  trans-70.590.6162.7-61.1169.5000105.4L768L768-I770 PolarHBondContact O-N 2.8Å
771E25.9Very low27.1Very low179 Ų179159.6 Ų159.684%0.83680%0.796SS**  trans-91.2114.4165.6-144164.7-159.800106.9N769 D773N769-E771 VanDerWaalsContact C-N 3.25Å; N769-E771 PolarHBondContact O-N 3.4Å; E771-D773 PolarHBondContact O-N 3.14Å
772H25.7Very low26.9Very low167 Ų167160.7 Ų160.777%0.77380%0.799SS**  trans-67.1103177.2-89.4-76.2000109.7
773D26.3Very low26.7Very low158 Ų158159.6 Ų159.685%0.84580%0.796SS**  trans-90.899.1161.3-100.4-22.2000109.6E771 N775E771-D773 PolarHBondContact O-N 3.14Å; D773-N775 PolarHBondContact O-N 3.13Å; D773-N775 VanDerWaalsContact O-N 3.17Å
774E25.9Very low26.6Very low148 Ų148157.3 Ų157.369%0.69279%0.793SS**  trans-67.493.6165.9-71.9-169.1156.100110.2K776E774-K776 PolarHBondContact O-N 3.12Å; E774-K776 IonicContact OE2-NZ 3.59Å
775N27.6Very low26.2Very low142 Ų142154 Ų15476%0.75979%0.786SS**  trans-92.991.5160.4-89.3-18.2000110D773 D777D773-N775 PolarHBondContact O-N 3.13Å; D773-N775 VanDerWaalsContact O-N 3.17Å; N775-D777 PolarHBondContact O-N 3.37Å
776K26.2Very low26.2Very low157 Ų157155.2 Ų155.268%0.68379%0.788SS**  trans-73.386.7164.4-78.6174.2177.7151.80109.4E774 T778E774-K776 PolarHBondContact O-N 3.12Å; E774-K776 IonicContact OE2-NZ 3.59Å; K776-T778 PolarHBondContact O-N 3.25Å; K776-T778 VanDerWaalsContact O-N 3.08Å; K776-T778 PolarHBondContact O-OG1 3.39Å
777D29.9Very low26.3Very low146 Ų146156.2 Ų156.278%0.78179%0.793SS**  trans-74.1102.2164.3-76.2-28.7000109N775 I779N775-D777 PolarHBondContact O-N 3.37Å; D777-I779 PolarHBondContact O-N 3.49Å
778T26.4Very low26.1Very low120 Ų120156.4 Ų156.474%0.73679%0.791SS**  trans-72.5108.7-177.7-53.10000108K776 Q780K776-T778 PolarHBondContact O-N 3.25Å; K776-T778 VanDerWaalsContact O-N 3.08Å; K776-T778 PolarHBondContact O-OG1 3.39Å; T778-Q780 VanDerWaalsContact C-N 3.34Å; T778-Q780 PolarHBondContact O-N 3.46Å
779I28.6Very low26Very low163 Ų163155 Ų15584%0.83678%0.784SS**  trans-6794.8171.2-62.7171.8000107.2D777 S781D777-I779 PolarHBondContact O-N 3.49Å; I779-S781 PolarHBondContact O-N 2.66Å
780Q25.9Very low26Very low172 Ų172152.6 Ų152.680%0.80478%0.779SS**  trans-75.6102.7171.4-113.6171.7-13.900108.6T778 K782T778-Q780 VanDerWaalsContact C-N 3.34Å; T778-Q780 PolarHBondContact O-N 3.46Å; Q780-K782 PolarHBondContact O-N 3.18Å; Q780-K782 VanDerWaalsContact O-N 3.14Å
781S24.9Very low25.9Very low107 Ų107154.8 Ų154.875%0.74879%0.785SS**  trans-58105163.150.60000109.7I779I779-S781 PolarHBondContact O-N 2.66Å
782K26.8Very low25.7Very low181 Ų181154.3 Ų154.379%0.78779%0.787SS**  trans-95.399.1158.8-87-175.6173-177.50107.9Q780 D784Q780-K782 PolarHBondContact O-N 3.18Å; Q780-K782 VanDerWaalsContact O-N 3.14Å; K782-D784 PolarHBondContact O-N 2.86Å
783E24.9Very low25.6Very low175 Ų175154.5 Ų154.582%0.81879%0.788SS**  trans-67.8101.1157.3-72.5173.5146.300107.2
784D28.1Very low25.4Very low150 Ų150154.7 Ų154.780%0.80278%0.784SS**  trans-97.9101.1160.8-75.5-29.5000106.8K782K782-D784 PolarHBondContact O-N 2.86Å
785T22.6Very low25.3Very low114 Ų114159 Ų15970%0.69980%0.796SS**  trans-70.1146.6170.240.70000111.6
786D23.1Very low25.1Very low149 Ų149159.8 Ų159.880%0.79780%0.8SS**  trans67.4105.3154.6-59-29.8000118.1
787E27.5Very low25Very low204 Ų204160.9 Ų160.995%0.95381%0.807SS**  -164.3147.4112.5-109.6175.2-179.800112.5
788K24.2Very low24.7Very low183 Ų183161.9 Ų161.980%0.79681%0.807SS**  trans-95152.1-160.5-91.1177175.7173.30112.6
789D23.5Very low24.7Very low135 Ų135161.4 Ų161.472%0.72281%0.809SS**  trans69.3127.2137.8-61.1-28.7000121.4
790S24.5Very low24.5Very low99 Ų99159.7 Ų159.769%0.69281%0.806SS**  trans82.683.5136.769.60000119.2
791H25.1Very low24.5Very low201 Ų201159.5 Ų159.593%0.93181%0.805SS**  trans-145.471.6142.8-83.4-63.3000110.2
792I21.9Very low24.6Very low170 Ų170159.5 Ų159.587%0.87280%0.804SS**  trans-130.589.9160.5-58.9177.7000106.2
793E23.8Very low24.5Very low170 Ų170158.9 Ų158.979%0.79481%0.809SS**  trans-125.4114164.6-82.1-168.415700110.3
794Q23.1Very low24.5Very low162 Ų162158.6 Ų158.676%0.75781%0.807SS**  trans65.879.9133.1-59.9179.6-4.800118.3
795Y23.6Very low25.2Very low240 Ų240156 Ų15694%0.94180%0.799SS**  trans-12279.6140-101-90.1000108.7
796N22.5Very low25.4Very low158 Ų158158.7 Ų158.785%0.84581%0.809SS**  trans-149.495.5167.5-101-22.5000107.8
797Q23.9Very low25.9Very low180 Ų180157.7 Ų157.784%0.84180%0.802SS**  trans-155.9111.3157-111.9169.313.700111.2
798H23.9Very low26Very low166 Ų166159 Ų15977%0.76980%0.799SS**  trans57.2101.7142.1-67.8-26.4000120
799S26.2Very low26.6Very low111 Ų111155.6 Ų155.678%0.77679%0.789SS**  -146.987.4120.846.70000110.3H801S799-H801 VanDerWaalsContact C-N 3.3Å; S799-H801 PolarHBondContact O-N 3.06Å
800T23.8Very low27Very low126 Ų126159.1 Ų159.177%0.77379%0.793SS**  trans-68.785.5163.445.90000108.8S802T800-S802 PolarHBondContact O-N 3.47Å
801H25.9Very low27.5Very low169 Ų169164.5 Ų164.578%0.78280%0.798SS**  trans-90.3101.7163.3-103-66.9000109.3S799 L803S799-H801 VanDerWaalsContact C-N 3.3Å; S799-H801 PolarHBondContact O-N 3.06Å; H801-L803 PolarHBondContact O-N 2.93Å
802S27.8Very low28.1Very low106 Ų106162.6 Ų162.674%0.74179%0.787SS**  trans-32.7118.8170.750.50000114T800T800-S802 PolarHBondContact O-N 3.47Å
803L23.7Very low29Very low168 Ų168164 Ų16488%0.8878%0.782SS**  trans-67.8149.4160.8-77111.2000110.8H801H801-L803 PolarHBondContact O-N 2.93Å
804Q25.3Very low29.5Very low169 Ų169165.7 Ų165.779%0.7978%0.781SS**  trans95.6145169.1-67.1-173.5-19.100117.3
805P42.3Very low30.4Very low96 Ų96163 Ų16362%0.62377%0.772SS**  cis-139.9128.33.429.2-5.9000115.9I807P805-I807 VanDerWaalsContact C-N 3.3Å; P805-I807 PolarHBondContact O-N 3.27Å
806D27.9Very low31.4Very low170 Ų170157.2 Ų157.291%0.90976%0.757SS**  trans-91.623.9162.3-104.3-14.4000113.4R808D806-R808 PolarHBondContact O-N 2.97Å
807I32.7Very low32.1Very low128 Ų128159.1 Ų159.166%0.65675%0.752SS**G310 helixtrans-82.79.3-179.9-62.8175.3000112.5P805 D809P805-I807 VanDerWaalsContact C-N 3.3Å; P805-I807 PolarHBondContact O-N 3.27Å; I807-D809 VanDerWaalsContact C-N 3.35Å; I807-D809 PolarHBondContact O-N 3.17Å
808R31.5Very low33.1Very low233 Ų233158.2 Ų158.288%0.87975%0.745SS**G310 helixtrans-77.6-12.1-178.6-113.4179.4-178.6179.31115.4D806D806-R808 PolarHBondContact O-N 2.97Å
809D35.8Very low34Very low110 Ų110157 Ų15759%0.58874%0.744SS**G310 helixtrans-91-7.9-173.1-138.125.3000115.1I807I807-D809 VanDerWaalsContact C-N 3.35Å; I807-D809 PolarHBondContact O-N 3.17Å
810Y32.2Very low34.7Very low209 Ų209158.4 Ų158.482%0.8274%0.742SS**THydrogen-bonded Turntrans-84.8-22.3-179.3-98.6-84.3000115.1
811R35.1Very low35Very low212 Ų212163 Ų16380%0.875%0.754SS**THydrogen-bonded Turntrans-79.3-34178.1-78.3-171.7-173.7-179.72.4113R813 R814R811-R813 VanDerWaalsContact C-N 3.26Å; R811-R813 PolarHBondContact O-N 3.4Å; R811-R814 PolarHBondContact O-N 3.12Å; R811-R814 VanDerWaalsContact O-N 3.07Å
812K38.2Very low35.5Very low161 Ų161162.7 Ų162.770%0.775%0.753SS**Hα-helixtrans-63.7-26.6-177.3-114.7-178.4179.6-178.10114.3
813R38.7Very low35.9Very low200 Ų200165.6 Ų165.676%0.75575%0.753SS**Hα-helixtrans-81.6-14.6177-67.9-169.1-165.3-146.83.5114.4R811R811-R813 VanDerWaalsContact C-N 3.26Å; R811-R813 PolarHBondContact O-N 3.4Å
814R35Very low36.6Very low205 Ų205165.5 Ų165.577%0.77475%0.746SS**Hα-helixtrans-84.4-33.4178-144.1176-169.9166.41.9111.4R811 R817R811-R814 PolarHBondContact O-N 3.12Å; R811-R814 VanDerWaalsContact O-N 3.07Å; R814-R817 PolarHBondContact O-N 3.36Å
815D42.4Very low37.2Very low106 Ų106165.3 Ų165.357%0.56774%0.744SS**Hα-helixtrans-72.9-37.5178.3-59.4-24.2000111R817 K818D815-R817 PolarHBondContact O-N 3.27Å; D815-K818 PolarHBondContact O-N 3.03Å; D815-K818 VanDerWaalsContact O-N 3.08Å
816L44.2Very low36.9Very low119 Ų119169.6 Ų169.662%0.62375%0.751SS**Hα-helixtrans-65.4-13.2175.7-13991.4000114.4
817R38.1Very low37.5Very low197 Ų197169.6 Ų169.674%0.74374%0.741SS**Hα-helixtrans-92.4-19.2175.2-93.4-172.2-177.9-141.8-1.6113.8R814 D815R814-R817 PolarHBondContact O-N 3.36Å; D815-R817 PolarHBondContact O-N 3.27Å
818K44.3Very low37.9Very low162 Ų162172.6 Ų172.670%0.70475%0.747SS**Hα-helixtrans-83.4-16174.2-78.9-169.1172-170.50113.3D815D815-K818 PolarHBondContact O-N 3.03Å; D815-K818 VanDerWaalsContact O-N 3.08Å
819D42.7Very low38.4Very low139 Ų139167.9 Ų167.974%0.74374%0.737SS**THydrogen-bonded Turntrans-90.5-6.9174.3-65.3-18000112.8
820I40.4Very low38.6Very low141 Ų141172.8 Ų172.872%0.72375%0.749SS**THydrogen-bonded Turntrans-105.4-15.5178.3-63.1177.3000112
821E31.8Very low39.2Very low222 Ų222169.5 Ų169.5100%1.03774%0.743SS**  trans-88.60160.8-74.9178.3179.100109.3

Retrieved 821 of 821 residues in 852.8 ms (Link to these results)

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