A0A087YC94_POEFO Loading...

Lysocardiolipin acyltransferase 1

AlphaFold DB , UniProt , Accession A0A087YC94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M60.9Low89.7Confident183 Ų18381.7 Ų81.790%0.90144%0.441SS*.  0127.20-69.5-165.7-75.200108.3L237M1-L237 HydrophobicContact CB-CD2 4.11Å; M1-L237 HydrophobicContact CE-CD1 3.8Å; M1-L237 HydrophobicContact SD-CD1 4.42Å
2A79.3Confident90.3Very high91 Ų9181.6 Ų81.675%0.75244%0.437SS*.PPolyproline II helixtrans-78.2149.3-178.100000110.8
3V87.7Confident90.8Very high89 Ų8976.4 Ų76.454%0.53941%0.412SS..PPolyproline II helixtrans-65.1135.7173.6173.40000109.2L8 V236V3-L8 HydrophobicContact CG1-CB 4.22Å; V3-V236 HydrophobicContact CG1-CG1 3.88Å; V3-V236 HydrophobicContact CG2-CG1 4.24Å
4S93.9Very high91.3Very high29 Ų2971.4 Ų71.420%0.20339%0.385CS..PPolyproline II helixtrans-81.3131177174.40000110.2R6 G7 L8 V236 L237S4-R6 PolarHBondContact O-N 3.2Å; S4-R6 PolarHBondContact OG-N 2.94Å; S4-G7 PolarHBondContact O-N 3.35Å; S4-G7 VanDerWaalsContact O-N 3.11Å; S4-G7 PolarHBondContact OG-N 3.41Å; S4-L8 WeakPolarHBondContact O-CB 3.43Å; S4-L8 PolarHBondContact O-N 3.32Å; S4-V236 PolarHBondContact N-O 3.32Å; S4-L237 WeakPolarHBondContact CB-O 3.44Å
5V93.9Very high91.8Very high123 Ų12371.3 Ų71.375%0.74538%0.38SS*.Hα-helixtrans-57.1-40.7172.6176.90000110.6L8 F9V5-L8 PolarHBondContact O-N 3.35Å; V5-F9 WeakPolarHBondContact O-CB 3.49Å; V5-F9 PolarHBondContact O-N 2.62Å
6R93Very high92.2Very high145 Ų14568.6 Ų68.655%0.54737%0.365SS..Hα-helixtrans-67.3-41.2177.6-50.7179.568.6177.12.8110.7S4 F9 F10 V62 F63S4-R6 PolarHBondContact O-N 3.2Å; S4-R6 PolarHBondContact OG-N 2.94Å; R6-F9 PolarHBondContact O-N 3.46Å; R6-F10 PolarHBondContact O-N 3.14Å; R6-V62 PolarHBondContact NH2-O 3.07Å; R6-F63 HydrophobicContact CB-CE1 3.59Å; R6-F63 HydrophobicContact CB-CZ 4.24Å; R6-F63 WeakPolarHBondContact O-CZ 3.5Å
7G94Very high92.6Very high0 Ų064.6 Ų64.60%034%0.344CS..Hα-helixtrans-62.1-45.1175.500000113.3S4 F10 I11 L235S4-G7 PolarHBondContact O-N 3.35Å; S4-G7 VanDerWaalsContact O-N 3.11Å; S4-G7 PolarHBondContact OG-N 3.41Å; G7-F10 WeakPolarHBondContact O-CB 3.49Å; G7-F10 PolarHBondContact O-N 3.26Å; G7-I11 PolarHBondContact O-N 3.11Å; G7-I11 VanDerWaalsContact O-N 3.13Å; G7-L235 WeakPolarHBondContact CA-O 3.49Å
8L95.1Very high92.9Very high88 Ų8861.2 Ų61.246%0.46133%0.326SS..Hα-helixtrans-62.8-43.7176-174.663.9000111.2V3 S4 V5 F10 I11 M12V3-L8 HydrophobicContact CG1-CB 4.22Å; S4-L8 WeakPolarHBondContact O-CB 3.43Å; S4-L8 PolarHBondContact O-N 3.32Å; V5-L8 PolarHBondContact O-N 3.35Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 2.86Å; L8-I11 PolarHBondContact O-N 3.29Å; L8-M12 HydrophobicContact CD1-CG 3.98Å; L8-M12 HydrophobicContact CG-CG 4.13Å; L8-M12 VanDerWaalsContact O-CB 3.26Å; L8-M12 WeakPolarHBondContact O-CB 3.39Å; L8-M12 WeakPolarHBondContact O-CG 3.06Å; L8-M12 PolarHBondContact O-N 2.78Å
9F96.4Very high93.2Very high102 Ų10260.1 Ų60.145%0.44732%0.318SS..Hα-helixtrans-56.2-46.5174.7172.2-102.6000111.9V5 R6 M12 A13 L58 V62 F63V5-F9 WeakPolarHBondContact O-CB 3.49Å; V5-F9 PolarHBondContact O-N 2.62Å; R6-F9 PolarHBondContact O-N 3.46Å; F9-M12 PolarHBondContact O-N 3.2Å; F9-A13 VanDerWaalsContact O-CB 3.24Å; F9-A13 WeakPolarHBondContact O-CB 3.25Å; F9-A13 PolarHBondContact O-N 2.81Å; F9-L58 HydrophobicContact CE1-CD2 3.75Å; F9-L58 HydrophobicContact CZ-CD2 4.34Å; F9-V62 HydrophobicContact CE1-CG1 4.23Å; F9-F63 HydrophobicContact CD1-CZ 4.32Å
10F96.6Very high93.4Very high0 Ų057.3 Ų57.30%030%0.303CS..Hα-helixtrans-58.3-53.2178.1-177.2-95.3000112.1R6 G7 L8 M12 A13 L14 L58 L59 F63 M93 L235 F240R6-F10 PolarHBondContact O-N 3.14Å; G7-F10 WeakPolarHBondContact O-CB 3.49Å; G7-F10 PolarHBondContact O-N 3.26Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 2.86Å; F10-M12 PolarHBondContact O-N 2.81Å; F10-A13 PolarHBondContact O-N 3.46Å; F10-L14 HydrophobicContact CD1-CD1 4.01Å; F10-L14 HydrophobicContact CD1-CG 4.49Å; F10-L14 HydrophobicContact CE1-CD1 3.36Å; F10-L14 HydrophobicContact CE1-CG 4.2Å; F10-L14 HydrophobicContact CE2-CD1 4.46Å; F10-L14 HydrophobicContact CZ-CD1 3.64Å; F10-L14 HydrophobicContact CZ-CG 4.36Å; F10-L14 WeakPolarHBondContact O-CG 3.34Å; F10-L14 PolarHBondContact O-N 2.82Å; F10-L58 HydrophobicContact CD2-CB 3.72Å; F10-L58 HydrophobicContact CD2-CD1 3.94Å; F10-L58 HydrophobicContact CD2-CG 4.39Å; F10-L58 HydrophobicContact CE2-CB 3.63Å; F10-L58 HydrophobicContact CE2-CD1 4.12Å; F10-L59 HydrophobicContact CE2-CD2 3.91Å; F10-L59 HydrophobicContact CE2-CG 3.93Å; F10-L59 HydrophobicContact CZ-CD2 3.97Å; F10-L59 HydrophobicContact CZ-CG 4.12Å; F10-F63 HydrophobicContact CB-CE2 3.86Å; F10-F63 HydrophobicContact CB-CZ 3.74Å; F10-F63 AromaticContact CD2-CD2 3.9Å; F10-F63 HydrophobicContact CD2-CD2 3.9Å; F10-F63 AromaticContact CD2-CE2 3.53Å; F10-F63 HydrophobicContact CD2-CE2 3.53Å; F10-F63 HydrophobicContact CD2-CZ 4.25Å; F10-F63 HydrophobicContact CG-CE2 4.14Å; F10-F63 HydrophobicContact CG-CZ 4.44Å; F10-M93 HydrophobicContact CE1-CE 4.07Å; F10-M93 HydrophobicContact CE1-SD 4.4Å; F10-M93 HydrophobicContact CZ-CE 3.87Å; F10-M93 HydrophobicContact CZ-SD 4.13Å; F10-L235 HydrophobicContact CD1-CD1 4.13Å; F10-L235 HydrophobicContact CE1-CD1 3.64Å; F10-L235 HydrophobicContact CZ-CD1 4.48Å; F10-F240 HydrophobicContact CB-CE1 4Å; F10-F240 HydrophobicContact CB-CZ 3.64Å; F10-F240 AromaticContact CD1-CE1 3.82Å; F10-F240 HydrophobicContact CD1-CE1 3.82Å; F10-F240 HydrophobicContact CD1-CZ 4.21Å; F10-F240 AromaticContact CD2-CE1 3.71Å; F10-F240 HydrophobicContact CD2-CE1 3.71Å; F10-F240 HydrophobicContact CD2-CZ 4.18Å; F10-F240 HydrophobicContact CE1-CE1 4.19Å; F10-F240 HydrophobicContact CE2-CE1 4.09Å; F10-F240 AromaticContact CG-CE1 3.56Å; F10-F240 HydrophobicContact CG-CE1 3.56Å; F10-F240 AromaticContact CG-CZ 3.76Å; F10-F240 HydrophobicContact CG-CZ 3.76Å; F10-F240 HydrophobicContact CZ-CE1 4.31Å
11I95.6Very high93.7Very high49 Ų4954.8 Ų54.825%0.25129%0.292SS..Hα-helixtrans-65.6-41.4-177.2-64.1-64.5000111.3G7 L8 L14 F15 L235 V236G7-I11 PolarHBondContact O-N 3.11Å; G7-I11 VanDerWaalsContact O-N 3.13Å; L8-I11 PolarHBondContact O-N 3.29Å; I11-L14 PolarHBondContact O-N 2.91Å; I11-F15 WeakPolarHBondContact O-CB 3.32Å; I11-F15 PolarHBondContact O-N 2.84Å; I11-L235 HydrophobicContact CD1-CB 4.35Å; I11-V236 HydrophobicContact CG1-CG2 3.92Å
12M96.7Very high95.5Very high80 Ų8046.1 Ų46.139%0.39425%0.249SC..Hα-helixtrans-64.9-43177.3-72.3-58.3-6000111.8L8 F9 F10 L14 F15 L16L8-M12 HydrophobicContact CD1-CG 3.98Å; L8-M12 HydrophobicContact CG-CG 4.13Å; L8-M12 VanDerWaalsContact O-CB 3.26Å; L8-M12 WeakPolarHBondContact O-CB 3.39Å; L8-M12 WeakPolarHBondContact O-CG 3.06Å; L8-M12 PolarHBondContact O-N 2.78Å; F9-M12 PolarHBondContact O-N 3.2Å; F10-M12 PolarHBondContact O-N 2.81Å; M12-L14 VanDerWaalsContact C-N 3.35Å; M12-L14 PolarHBondContact O-N 3Å; M12-F15 PolarHBondContact O-N 3.12Å; M12-L16 HydrophobicContact CE-CD1 3.97Å; M12-L16 HydrophobicContact CE-CD2 4.43Å; M12-L16 HydrophobicContact CE-CG 4.13Å; M12-L16 VanDerWaalsContact O-CB 3.23Å; M12-L16 WeakPolarHBondContact O-CB 3.42Å; M12-L16 WeakPolarHBondContact O-CG 3.19Å; M12-L16 PolarHBondContact O-N 2.83Å
13A97.9Very high96.4Very high14 Ų1441.8 Ų41.812%0.11621%0.213CC..Hα-helixtrans-60.8-44.3176.900000111.6F9 F10 G17 L58F9-A13 VanDerWaalsContact O-CB 3.24Å; F9-A13 WeakPolarHBondContact O-CB 3.25Å; F9-A13 PolarHBondContact O-N 2.81Å; F10-A13 PolarHBondContact O-N 3.46Å; A13-G17 PolarHBondContact O-N 2.66Å; A13-L58 HydrophobicContact CB-CD1 3.97Å
14L97.7Very high96.9Very high7 Ų739.1 Ų39.14%0.03720%0.197CC..Hα-helixtrans-64.2-48.3176.3-68.2-169.5000112.3F10 I11 M12 S18 W51 L54 P55 L58 M93 F122F10-L14 HydrophobicContact CD1-CD1 4.01Å; F10-L14 HydrophobicContact CD1-CG 4.49Å; F10-L14 HydrophobicContact CE1-CD1 3.36Å; F10-L14 HydrophobicContact CE1-CG 4.2Å; F10-L14 HydrophobicContact CE2-CD1 4.46Å; F10-L14 HydrophobicContact CZ-CD1 3.64Å; F10-L14 HydrophobicContact CZ-CG 4.36Å; F10-L14 WeakPolarHBondContact O-CG 3.34Å; F10-L14 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 2.91Å; M12-L14 VanDerWaalsContact C-N 3.35Å; M12-L14 PolarHBondContact O-N 3Å; L14-S18 VanDerWaalsContact O-CB 3.23Å; L14-S18 WeakPolarHBondContact O-CB 3.37Å; L14-S18 PolarHBondContact O-N 2.83Å; L14-W51 HydrophobicContact CB-CZ2 4.25Å; L14-W51 HydrophobicContact CD2-CZ2 4.13Å; L14-W51 PolarHBondContact O-NE1 3.31Å; L14-L54 HydrophobicContact CD2-CD2 4.31Å; L14-L54 HydrophobicContact CD2-CG 4.18Å; L14-P55 HydrophobicContact CD1-CB 4.48Å; L14-P55 HydrophobicContact CD2-CB 3.85Å; L14-P55 HydrophobicContact CD2-CG 3.63Å; L14-L58 HydrophobicContact CD2-CD1 3.83Å; L14-L58 HydrophobicContact CG-CD1 4.27Å; L14-M93 HydrophobicContact CD1-SD 3.91Å; L14-F122 HydrophobicContact CB-CE1 4.12Å; L14-F122 HydrophobicContact CB-CZ 3.86Å
15F97.9Very high97.1Very high70 Ų7039.4 Ų39.431%0.30720%0.195SC..Hα-helixtrans-62.7-50.8-179.5174.2-104.2000111.5I11 M12 G17 S18 F19 P120 F122I11-F15 WeakPolarHBondContact O-CB 3.32Å; I11-F15 PolarHBondContact O-N 2.84Å; M12-F15 PolarHBondContact O-N 3.12Å; F15-G17 PolarHBondContact O-N 2.7Å; F15-S18 PolarHBondContact O-N 3.32Å; F15-F19 HydrophobicContact CZ-CB 4.41Å; F15-F19 HydrophobicContact CZ-CD2 4.26Å; F15-F19 HydrophobicContact CZ-CG 4.47Å; F15-F19 VanDerWaalsContact O-CB 3.22Å; F15-F19 WeakPolarHBondContact O-CB 3.45Å; F15-F19 PolarHBondContact O-N 3.35Å; F15-P120 HydrophobicContact CE2-CB 4.46Å; F15-F122 HydrophobicContact CB-CE2 4.19Å; F15-F122 HydrophobicContact CB-CZ 4.39Å; F15-F122 HydrophobicContact CD2-CE2 4.1Å
16L98.5Very high97.3Very high28 Ų2833.7 Ų33.715%0.14716%0.161CC..Hα-helixtrans-63.7-42.7-179.7-68.4170.4000111.6M12 S18 F19 F20 I321 F325M12-L16 HydrophobicContact CE-CD1 3.97Å; M12-L16 HydrophobicContact CE-CD2 4.43Å; M12-L16 HydrophobicContact CE-CG 4.13Å; M12-L16 VanDerWaalsContact O-CB 3.23Å; M12-L16 WeakPolarHBondContact O-CB 3.42Å; M12-L16 WeakPolarHBondContact O-CG 3.19Å; M12-L16 PolarHBondContact O-N 2.83Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.86Å; L16-F19 PolarHBondContact O-N 2.89Å; L16-F20 HydrophobicContact CB-CD2 4.34Å; L16-F20 HydrophobicContact CD2-CE2 4.01Å; L16-F20 WeakPolarHBondContact O-CB 3.23Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 2.71Å; L16-I321 HydrophobicContact CB-CD1 4.04Å; L16-I321 HydrophobicContact CB-CG1 4.28Å; L16-I321 HydrophobicContact CB-CG2 4.16Å; L16-I321 HydrophobicContact CD1-CG2 4.15Å; L16-F325 HydrophobicContact CD1-CE2 3.91Å; L16-F325 HydrophobicContact CD1-CZ 4.05Å; L16-F325 HydrophobicContact CD2-CE2 4.22Å; L16-F325 HydrophobicContact CD2-CZ 3.74Å
17G98.4Very high97.5Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-60.1-43.117500000111.9A13 F15 G21 W317A13-G17 PolarHBondContact O-N 2.66Å; F15-G17 PolarHBondContact O-N 2.7Å; G17-G21 VanDerWaalsContact O-CA 3.31Å; G17-G21 WeakPolarHBondContact O-CA 3.46Å; G17-G21 PolarHBondContact O-N 3.15Å; G17-W317 WeakPolarHBondContact O-CZ3 3Å
18S98.2Very high97.7Very high3 Ų330.7 Ų30.72%0.02116%0.161CC..Hα-helixtrans-72-40.3-179.6-170.50000112.4L14 F15 L16 S22 W51 G121 F122L14-S18 VanDerWaalsContact O-CB 3.23Å; L14-S18 WeakPolarHBondContact O-CB 3.37Å; L14-S18 PolarHBondContact O-N 2.83Å; F15-S18 PolarHBondContact O-N 3.32Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.86Å; S18-S22 VanDerWaalsContact O-CB 3.24Å; S18-S22 WeakPolarHBondContact O-CB 3.37Å; S18-S22 PolarHBondContact O-N 2.81Å; S18-S22 PolarHBondContact O-OG 2.85Å; S18-W51 VanDerWaalsContact N-NE1 3.11Å; S18-G121 PolarHBondContact OG-O 3.04Å; S18-F122 VanDerWaalsContact OG-CA 3.26Å; S18-F122 WeakPolarHBondContact OG-CA 3.21Å; S18-F122 PolarHBondContact OG-N 3.37Å
19F98.6Very high97.8Very high40 Ų4027.3 Ų27.318%0.17514%0.144CC..Hα-helixtrans-66.1-55.2178.4-178.3-95.2000111.7F15 L16 S22 I23 P120 W124F15-F19 HydrophobicContact CZ-CB 4.41Å; F15-F19 HydrophobicContact CZ-CD2 4.26Å; F15-F19 HydrophobicContact CZ-CG 4.47Å; F15-F19 VanDerWaalsContact O-CB 3.22Å; F15-F19 WeakPolarHBondContact O-CB 3.45Å; F15-F19 PolarHBondContact O-N 3.35Å; L16-F19 PolarHBondContact O-N 2.89Å; F19-S22 PolarHBondContact O-N 3.31Å; F19-I23 HydrophobicContact CD1-CD1 4.01Å; F19-I23 HydrophobicContact CD2-CD1 4.33Å; F19-I23 HydrophobicContact CE1-CD1 3.49Å; F19-I23 VanDerWaalsContact CE1-CD1 3.49Å; F19-I23 HydrophobicContact CE2-CD1 3.85Å; F19-I23 HydrophobicContact CG-CD1 4.4Å; F19-I23 HydrophobicContact CZ-CD1 3.39Å; F19-I23 PolarHBondContact O-N 3.38Å; F19-I23 VanDerWaalsContact O-N 3.1Å; F19-P120 HydrophobicContact CD2-CB 4.43Å; F19-W124 HydrophobicContact CD2-CH2 4.15Å; F19-W124 AromaticContact CD2-CZ3 3.7Å; F19-W124 HydrophobicContact CD2-CZ3 3.7Å; F19-W124 AromaticContact CE2-CH2 3.71Å; F19-W124 HydrophobicContact CE2-CH2 3.71Å; F19-W124 AromaticContact CE2-CZ3 3.59Å; F19-W124 HydrophobicContact CE2-CZ3 3.59Å
20F98.6Very high97.8Very high4 Ų423.3 Ų23.32%0.01813%0.127CC..Hα-helixtrans-68.3-37.1177.6-71.5-53.7000112.2L16 S22 I23 V24 F320 I321 C324 F325 L328L16-F20 HydrophobicContact CB-CD2 4.34Å; L16-F20 HydrophobicContact CD2-CE2 4.01Å; L16-F20 WeakPolarHBondContact O-CB 3.23Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 2.71Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 2.86Å; F20-I23 PolarHBondContact O-N 2.93Å; F20-V24 WeakPolarHBondContact O-CB 3.12Å; F20-V24 WeakPolarHBondContact O-CG2 3.5Å; F20-V24 PolarHBondContact O-N 2.75Å; F20-F320 HydrophobicContact CB-CE1 3.68Å; F20-F320 HydrophobicContact CB-CZ 4.18Å; F20-I321 HydrophobicContact CE2-CG2 4.46Å; F20-C324 HydrophobicContact CB-CB 4.27Å; F20-C324 HydrophobicContact CD1-CB 3.59Å; F20-C324 HydrophobicContact CD2-CB 3.79Å; F20-C324 HydrophobicContact CE1-CB 3.73Å; F20-C324 HydrophobicContact CE2-CB 3.91Å; F20-C324 HydrophobicContact CG-CB 3.63Å; F20-C324 HydrophobicContact CZ-CB 3.89Å; F20-F325 HydrophobicContact CE2-CD2 4.23Å; F20-F325 HydrophobicContact CE2-CE1 4.35Å; F20-F325 AromaticContact CE2-CE2 3.92Å; F20-F325 HydrophobicContact CE2-CE2 3.92Å; F20-F325 AromaticContact CE2-CZ 3.98Å; F20-F325 HydrophobicContact CE2-CZ 3.98Å; F20-F325 HydrophobicContact CZ-CD1 4.35Å; F20-F325 HydrophobicContact CZ-CE1 4.17Å; F20-F325 HydrophobicContact CZ-CZ 4.26Å; F20-L328 HydrophobicContact CE1-CD1 3.86Å; F20-L328 HydrophobicContact CZ-CD1 3.81Å
21G98.4Very high97.8Very high6 Ų626.9 Ų26.96%0.06215%0.15CC..Iπ-helixtrans-59.8-43.6174.300000111.7G17 M25 L26G17-G21 VanDerWaalsContact O-CA 3.31Å; G17-G21 WeakPolarHBondContact O-CA 3.46Å; G17-G21 PolarHBondContact O-N 3.15Å; G21-M25 WeakPolarHBondContact O-CA 3.1Å; G21-M25 VanDerWaalsContact O-CB 3.24Å; G21-M25 WeakPolarHBondContact O-CB 3.32Å; G21-M25 PolarHBondContact O-N 3.32Å; G21-L26 PolarHBondContact O-N 3.42Å
22S98.3Very high97.9Very high0 Ų026.9 Ų26.90%015%0.15CC..Iπ-helixtrans-61.4-48.2175.8-62.80000112S18 F19 F20 L26 G27 G121 F345S18-S22 VanDerWaalsContact O-CB 3.24Å; S18-S22 WeakPolarHBondContact O-CB 3.37Å; S18-S22 PolarHBondContact O-N 2.81Å; S18-S22 PolarHBondContact O-OG 2.85Å; F19-S22 PolarHBondContact O-N 3.31Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 2.86Å; S22-L26 WeakPolarHBondContact O-CB 3.42Å; S22-L26 PolarHBondContact O-N 3.21Å; S22-G27 PolarHBondContact O-N 3Å; S22-G121 PolarHBondContact OG-O 3.46Å; S22-F345 VanDerWaalsContact O-CE2 3.24Å; S22-F345 WeakPolarHBondContact O-CE2 3.46Å; S22-F345 VanDerWaalsContact O-CZ 3.29Å; S22-F345 WeakPolarHBondContact O-CZ 3.43Å
23I98.4Very high97.9Very high0 Ų023.5 Ų23.50%013%0.134CC..Iπ-helixtrans-72.9-50.1-175.6-73165000112.1F19 F20 G27 W124 Y337 V338 M341 T342F19-I23 HydrophobicContact CD1-CD1 4.01Å; F19-I23 HydrophobicContact CD2-CD1 4.33Å; F19-I23 HydrophobicContact CE1-CD1 3.49Å; F19-I23 VanDerWaalsContact CE1-CD1 3.49Å; F19-I23 HydrophobicContact CE2-CD1 3.85Å; F19-I23 HydrophobicContact CG-CD1 4.4Å; F19-I23 HydrophobicContact CZ-CD1 3.39Å; F19-I23 PolarHBondContact O-N 3.38Å; F19-I23 VanDerWaalsContact O-N 3.1Å; F20-I23 PolarHBondContact O-N 2.93Å; I23-G27 WeakPolarHBondContact O-CA 3.48Å; I23-W124 HydrophobicContact CD1-CZ3 4.08Å; I23-W124 HydrophobicContact CG1-CZ3 4.23Å; I23-Y337 HydrophobicContact CG2-CD1 4.31Å; I23-Y337 HydrophobicContact CG2-CE1 3.87Å; I23-Y337 PolarHBondContact O-OH 3.04Å; I23-V338 HydrophobicContact CD1-CG1 4.2Å; I23-V338 HydrophobicContact CG2-CB 4.44Å; I23-V338 HydrophobicContact CG2-CG2 4.03Å; I23-M341 HydrophobicContact CB-CB 4.4Å; I23-M341 HydrophobicContact CG1-CB 4.18Å; I23-M341 HydrophobicContact CG2-CB 3.83Å; I23-M341 HydrophobicContact CG2-CG 4.27Å; I23-T342 WeakPolarHBondContact CD1-OG1 2.95Å
24V98.4Very high97.8Very high34 Ų3427.9 Ų27.921%0.20616%0.155CC..Iπ-helixtrans-93.6-28.7-166.8-175.80000112.4F20 P28 F320 F334F20-V24 WeakPolarHBondContact O-CB 3.12Å; F20-V24 WeakPolarHBondContact O-CG2 3.5Å; F20-V24 PolarHBondContact O-N 2.75Å; V24-P28 WeakPolarHBondContact O-CD 3.27Å; V24-P28 WeakPolarHBondContact O-CG 3.45Å; V24-F320 HydrophobicContact CB-CE2 4.41Å; V24-F320 HydrophobicContact CB-CZ 4.04Å; V24-F320 HydrophobicContact CG1-CE2 4.21Å; V24-F320 HydrophobicContact CG1-CZ 4.34Å; V24-F334 HydrophobicContact CG2-CE2 3.98Å; V24-F334 HydrophobicContact CG2-CZ 3.78Å
25M98.1Very high97.7Very high34 Ų3433.6 Ų33.617%0.16718%0.184CC..Iπ-helixtrans-100.4-48.8179.5-53.117669.700112.2G21 V29 I47 Y316 W317 F320G21-M25 WeakPolarHBondContact O-CA 3.1Å; G21-M25 VanDerWaalsContact O-CB 3.24Å; G21-M25 WeakPolarHBondContact O-CB 3.32Å; G21-M25 PolarHBondContact O-N 3.32Å; M25-V29 WeakPolarHBondContact O-CG2 3.41Å; M25-I47 HydrophobicContact CB-CG2 3.81Å; M25-I47 HydrophobicContact CE-CG2 3.83Å; M25-I47 HydrophobicContact SD-CG2 4.4Å; M25-Y316 WeakPolarHBondContact CE-OH 3.43Å; M25-Y316 PolarHBondContact SD-OH 2.88Å; M25-W317 HydrophobicContact SD-CH2 3.74Å; M25-W317 HydrophobicContact SD-CZ2 4.39Å; M25-W317 HydrophobicContact SD-CZ3 4.35Å; M25-F320 HydrophobicContact CG-CE2 4.06Å; M25-F320 HydrophobicContact CG-CZ 3.81Å; M25-F320 HydrophobicContact SD-CE1 4.36Å; M25-F320 HydrophobicContact SD-CE2 4.31Å; M25-F320 HydrophobicContact SD-CZ 4.03Å
26L98.3Very high97.5Very high4 Ų431.9 Ų31.92%0.02118%0.181CC..Iπ-helixtrans-82.2-35.8-177.9-60.5175.9000112.5G21 S22 V29 L30 T44 I47 V48 A125 V128G21-L26 PolarHBondContact O-N 3.42Å; S22-L26 WeakPolarHBondContact O-CB 3.42Å; S22-L26 PolarHBondContact O-N 3.21Å; L26-V29 WeakPolarHBondContact O-CB 3.3Å; L26-V29 PolarHBondContact O-N 3.23Å; L26-L30 PolarHBondContact O-N 3.27Å; L26-T44 HydrophobicContact CD2-CG2 4.21Å; L26-I47 HydrophobicContact CD2-CB 3.82Å; L26-I47 HydrophobicContact CD2-CD1 4.24Å; L26-I47 HydrophobicContact CD2-CG2 3.43Å; L26-I47 VanDerWaalsContact CD2-CG2 3.43Å; L26-I47 HydrophobicContact CG-CG2 4.06Å; L26-V48 HydrophobicContact CD1-CG2 4.15Å; L26-V48 HydrophobicContact CD2-CG2 4.25Å; L26-A125 HydrophobicContact CD1-CB 4.12Å; L26-V128 HydrophobicContact CB-CG1 4.24Å; L26-V128 HydrophobicContact CB-CG2 4.47Å; L26-V128 HydrophobicContact CD1-CB 3.99Å; L26-V128 HydrophobicContact CD1-CG1 3.9Å; L26-V128 HydrophobicContact CD1-CG2 4.33Å; L26-V128 HydrophobicContact CD2-CG1 3.82Å; L26-V128 HydrophobicContact CG-CG1 4.2Å
27G97.6Very high97.4Very high4 Ų431 Ų314%0.04118%0.177CC..G310 helixtrans-50.8-53.4179.700000114.6S22 I23 V29 L30 M341S22-G27 PolarHBondContact O-N 3Å; I23-G27 WeakPolarHBondContact O-CA 3.48Å; G27-V29 PolarHBondContact O-N 2.97Å; G27-V29 VanDerWaalsContact O-N 3.16Å; G27-L30 WeakPolarHBondContact O-CG 3.48Å; G27-L30 PolarHBondContact O-N 2.8Å; G27-M341 VanDerWaalsContact CA-CE 3.4Å
28P97.4Very high97.2Very high77 Ų7734.1 Ų34.150%0.520%0.203SC..G310 helixtrans-61.9-21.6177.7-23.434.3000114.3V24 P31 Y337V24-P28 WeakPolarHBondContact O-CD 3.27Å; V24-P28 WeakPolarHBondContact O-CG 3.45Å; P28-P31 WeakPolarHBondContact O-CD 3.43Å; P28-Y337 VanDerWaalsContact CD-OH 3.25Å; P28-Y337 WeakPolarHBondContact CD-OH 3.43Å; P28-Y337 VanDerWaalsContact CG-OH 3.32Å; P28-Y337 WeakPolarHBondContact CG-OH 3.29Å
29V97.3Very high97.1Very high18 Ų1841.6 Ų41.611%0.10923%0.231CC..G310 helixtrans-86.7-17-177.1-1790000111.7M25 L26 G27 P31 L32 Y40 L43 T44 I47M25-V29 WeakPolarHBondContact O-CG2 3.41Å; L26-V29 WeakPolarHBondContact O-CB 3.3Å; L26-V29 PolarHBondContact O-N 3.23Å; G27-V29 PolarHBondContact O-N 2.97Å; G27-V29 VanDerWaalsContact O-N 3.16Å; V29-P31 VanDerWaalsContact C-CD 3.49Å; V29-L32 HydrophobicContact CG1-CB 4.41Å; V29-L32 HydrophobicContact CG1-CD2 4.27Å; V29-L32 WeakPolarHBondContact O-CB 3.42Å; V29-L32 PolarHBondContact O-N 3.28Å; V29-Y40 HydrophobicContact CG1-CD2 3.9Å; V29-Y40 HydrophobicContact CG1-CE2 4.26Å; V29-Y40 WeakPolarHBondContact O-CD2 3.36Å; V29-L43 HydrophobicContact CG1-CD2 3.77Å; V29-L43 HydrophobicContact CG1-CG 4.24Å; V29-L43 HydrophobicContact CG2-CD2 3.85Å; V29-L43 HydrophobicContact CG2-CG 4.47Å; V29-T44 HydrophobicContact CG1-CG2 3.8Å; V29-I47 HydrophobicContact CG2-CD1 4.03Å
30L97.3Very high97Very high17 Ų1739.7 Ų39.79%0.08922%0.223CC..THydrogen-bonded Turntrans-53.1-44.7-177.7-61.6-175.8000114.2L26 G27 L32 M33 Y40 V128 M341 V344 F345 L355L26-L30 PolarHBondContact O-N 3.27Å; G27-L30 WeakPolarHBondContact O-CG 3.48Å; G27-L30 PolarHBondContact O-N 2.8Å; L30-L32 PolarHBondContact O-N 2.74Å; L30-L32 VanDerWaalsContact O-N 3.1Å; L30-M33 HydrophobicContact CB-CE 4Å; L30-M33 HydrophobicContact CD2-CE 3.81Å; L30-M33 HydrophobicContact CG-CE 4.48Å; L30-M33 VanDerWaalsContact O-CE 3.27Å; L30-M33 WeakPolarHBondContact O-CE 3.43Å; L30-M33 WeakPolarHBondContact O-CG 3.36Å; L30-M33 PolarHBondContact O-N 3.04Å; L30-M33 VanDerWaalsContact O-N 3.1Å; L30-Y40 HydrophobicContact CD2-CE2 4.26Å; L30-V128 HydrophobicContact CD2-CG2 3.97Å; L30-M341 HydrophobicContact CD1-CE 4.01Å; L30-V344 HydrophobicContact CD1-CG1 4.27Å; L30-F345 HydrophobicContact CD1-CE1 4.23Å; L30-F345 HydrophobicContact CD1-CZ 4.05Å; L30-L355 HydrophobicContact CD1-CD1 4.34Å; L30-L355 HydrophobicContact CD2-CD1 3.87Å; L30-L355 HydrophobicContact CD2-CD2 4.47Å
31P96.9Very high96.9Very high76 Ų7639.7 Ų39.749%0.49422%0.222SC..THydrogen-bonded Turntrans-60.3-24.1179.2-24.135.8000113.9P28 V29 M33 L34P28-P31 WeakPolarHBondContact O-CD 3.43Å; V29-P31 VanDerWaalsContact C-CD 3.49Å; P31-M33 PolarHBondContact O-N 3.3Å; P31-L34 WeakPolarHBondContact O-CB 3.35Å; P31-L34 PolarHBondContact O-N 2.83Å; P31-L34 VanDerWaalsContact O-N 3.08Å
32L97Very high96.8Very high49 Ų4944 Ų4426%0.25724%0.237SC..Hα-helixtrans-62.2-26.4178.5-172.258.5000112V29 L30 L34 L35 S36 W39 Y40 L43V29-L32 HydrophobicContact CG1-CB 4.41Å; V29-L32 HydrophobicContact CG1-CD2 4.27Å; V29-L32 WeakPolarHBondContact O-CB 3.42Å; V29-L32 PolarHBondContact O-N 3.28Å; L30-L32 PolarHBondContact O-N 2.74Å; L30-L32 VanDerWaalsContact O-N 3.1Å; L32-L34 PolarHBondContact O-N 2.67Å; L32-L35 PolarHBondContact O-N 3.26Å; L32-L35 VanDerWaalsContact O-N 3.12Å; L32-S36 CarbonylContact O-C 3.6Å; L32-S36 PolarHBondContact O-N 2.99Å; L32-W39 HydrophobicContact CD1-CB 4.44Å; L32-W39 HydrophobicContact CD2-CB 4.11Å; L32-W39 HydrophobicContact CG-CB 4.39Å; L32-Y40 HydrophobicContact CB-CD2 4.4Å; L32-L43 HydrophobicContact CD2-CD2 4.27Å
33M96.1Very high96.8Very high9 Ų946.7 Ų46.74%0.04425%0.251CS..Hα-helixtrans-62-29.6176.582.7-179.169.700112.5L30 P31 P37 Y40 L355 I358 C362L30-M33 HydrophobicContact CB-CE 4Å; L30-M33 HydrophobicContact CD2-CE 3.81Å; L30-M33 HydrophobicContact CG-CE 4.48Å; L30-M33 VanDerWaalsContact O-CE 3.27Å; L30-M33 WeakPolarHBondContact O-CE 3.43Å; L30-M33 WeakPolarHBondContact O-CG 3.36Å; L30-M33 PolarHBondContact O-N 3.04Å; L30-M33 VanDerWaalsContact O-N 3.1Å; P31-M33 PolarHBondContact O-N 3.3Å; M33-P37 WeakPolarHBondContact O-CG 3.49Å; M33-Y40 HydrophobicContact CB-CD1 3.73Å; M33-Y40 HydrophobicContact CB-CD2 3.83Å; M33-Y40 HydrophobicContact CB-CE1 4.01Å; M33-Y40 HydrophobicContact CB-CE2 4.14Å; M33-Y40 HydrophobicContact CB-CG 3.63Å; M33-Y40 HydrophobicContact CE-CE1 4.3Å; M33-Y40 HydrophobicContact CE-CE2 3.86Å; M33-L355 HydrophobicContact CE-CD2 4.34Å; M33-I358 HydrophobicContact SD-CB 4.26Å; M33-I358 HydrophobicContact SD-CG2 3.66Å; M33-C362 WeakPolarHBondContact O-CB 3.34Å
34L95.9Very high96.7Very high106 Ų10646.7 Ų46.756%0.55525%0.251SS*.Hα-helixtrans-76.2-29.2178.4-58.1175.6000112P31 L32 W366P31-L34 WeakPolarHBondContact O-CB 3.35Å; P31-L34 PolarHBondContact O-N 2.83Å; P31-L34 VanDerWaalsContact O-N 3.08Å; L32-L34 PolarHBondContact O-N 2.67Å; L34-W366 PolarHBondContact O-NE1 3.42Å
35L95.4Very high96.7Very high126 Ų12645.8 Ų45.866%0.6625%0.245SC*.Hα-helixtrans-94.8-43.4-174.5-58.5177.7000112.3L32 W366L32-L35 PolarHBondContact O-N 3.26Å; L32-L35 VanDerWaalsContact O-N 3.12Å; L35-W366 WeakPolarHBondContact O-CZ2 3.29Å
36S95.5Very high96.6Very high34 Ų3448.5 Ų48.524%0.23825%0.253CS..  trans-152.895.9179.3-173.90000110.6L32 A38 W39 Y40L32-S36 CarbonylContact O-C 3.6Å; L32-S36 PolarHBondContact O-N 2.99Å; S36-A38 PolarHBondContact O-N 3.29Å; S36-W39 PolarHBondContact O-N 3.26Å; S36-W39 PolarHBondContact OG-N 2.96Å; S36-Y40 WeakPolarHBondContact O-CB 3.27Å; S36-Y40 PolarHBondContact O-N 3.41Å
37P95.1Very high96.6Very high10 Ų1049.6 Ų49.67%0.06526%0.259CS..Hα-helixtrans-55.2-36.1176.4-2733.8000113.3M33 Y40 R41 C362 H363 W366M33-P37 WeakPolarHBondContact O-CG 3.49Å; P37-Y40 PolarHBondContact O-N 2.85Å; P37-R41 WeakPolarHBondContact O-CB 3.32Å; P37-R41 PolarHBondContact O-N 3.26Å; P37-C362 HydrophobicContact CG-CB 4.23Å; P37-H363 HydrophobicContact CB-CB 4.22Å; P37-W366 VanDerWaalsContact CD-CD1 3.46Å; P37-W366 HydrophobicContact CG-CB 4.43Å; P37-W366 HydrophobicContact CG-CG 4.23Å
38A94Very high96.6Very high66 Ų6650 Ų5055%0.54526%0.261SS..Hα-helixtrans-65.1-48.7178.600000112.2S36 Y40 R41 W42S36-A38 PolarHBondContact O-N 3.29Å; A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-R41 PolarHBondContact O-N 3.09Å; A38-W42 WeakPolarHBondContact O-CB 3.15Å; A38-W42 PolarHBondContact O-N 3.46Å
39W95.9Very high96.7Very high160 Ų16047.1 Ų47.161%0.60624%0.243SC*.Hα-helixtrans-66.2-38.1176.7-84.495.6000112.2L32 S36 W42 L43L32-W39 HydrophobicContact CD1-CB 4.44Å; L32-W39 HydrophobicContact CD2-CB 4.11Å; L32-W39 HydrophobicContact CG-CB 4.39Å; S36-W39 PolarHBondContact O-N 3.26Å; S36-W39 PolarHBondContact OG-N 2.96Å; W39-W42 HydrophobicContact CE3-CE3 4.24Å; W39-W42 HydrophobicContact CZ3-CE3 4.27Å; W39-W42 HydrophobicContact CZ3-CZ3 4.26Å; W39-W42 PolarHBondContact O-N 2.92Å; W39-L43 VanDerWaalsContact O-CB 3.31Å; W39-L43 WeakPolarHBondContact O-CB 3.15Å; W39-L43 PolarHBondContact O-N 2.89Å
40Y97.5Very high96.7Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-56.3-51172.8172.3-103.2000111.3V29 L30 L32 M33 S36 P37 A38 L43 T44 E359V29-Y40 HydrophobicContact CG1-CD2 3.9Å; V29-Y40 HydrophobicContact CG1-CE2 4.26Å; V29-Y40 WeakPolarHBondContact O-CD2 3.36Å; L30-Y40 HydrophobicContact CD2-CE2 4.26Å; L32-Y40 HydrophobicContact CB-CD2 4.4Å; M33-Y40 HydrophobicContact CB-CD1 3.73Å; M33-Y40 HydrophobicContact CB-CD2 3.83Å; M33-Y40 HydrophobicContact CB-CE1 4.01Å; M33-Y40 HydrophobicContact CB-CE2 4.14Å; M33-Y40 HydrophobicContact CB-CG 3.63Å; M33-Y40 HydrophobicContact CE-CE1 4.3Å; M33-Y40 HydrophobicContact CE-CE2 3.86Å; S36-Y40 WeakPolarHBondContact O-CB 3.27Å; S36-Y40 PolarHBondContact O-N 3.41Å; P37-Y40 PolarHBondContact O-N 2.85Å; A38-Y40 VanDerWaalsContact C-N 3.35Å; Y40-L43 PolarHBondContact O-N 3.36Å; Y40-T44 HydrophobicContact CD2-CG2 3.88Å; Y40-T44 HydrophobicContact CE1-CG2 4.48Å; Y40-T44 HydrophobicContact CE2-CG2 3.56Å; Y40-T44 HydrophobicContact CG-CG2 4.44Å; Y40-T44 WeakPolarHBondContact O-CB 3.13Å; Y40-T44 VanDerWaalsContact O-CG2 3.28Å; Y40-T44 WeakPolarHBondContact O-CG2 3.29Å; Y40-T44 PolarHBondContact O-N 3.3Å; Y40-T44 PolarHBondContact O-OG1 2.92Å; Y40-E359 HydrophobicContact CD1-CG 4.15Å; Y40-E359 WeakPolarHBondContact CD1-OE1 3.43Å; Y40-E359 HydrophobicContact CE1-CB 4.17Å; Y40-E359 VanDerWaalsContact CE1-CD 3.5Å; Y40-E359 HydrophobicContact CE1-CG 4.02Å
41R96.6Very high96.7Very high3 Ų349 Ų491%0.01125%0.253CS..Hα-helixtrans-62-48.6179.4-176.248.432.5-143.6-16.2112.4P37 A38 L43 T44 D45 V128 I155 E359P37-R41 WeakPolarHBondContact O-CB 3.32Å; P37-R41 PolarHBondContact O-N 3.26Å; A38-R41 PolarHBondContact O-N 3.09Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 2.94Å; R41-T44 PolarHBondContact NH1-OG1 3.18Å; R41-T44 PolarHBondContact NH2-OG1 2.63Å; R41-T44 PolarHBondContact O-N 3.46Å; R41-T44 PolarHBondContact O-OG1 2.98Å; R41-D45 WeakPolarHBondContact CD-OD2 3.31Å; R41-D45 IonicContact CZ-OD1 3.15Å; R41-D45 IonicContact NH1-OD1 3.41Å; R41-D45 PolarHBondContact NH1-OD1 2.81Å; R41-D45 WeakPolarHBondContact O-CB 3.44Å; R41-D45 PolarHBondContact O-N 3.12Å; R41-V128 VanDerWaalsContact CZ-O 3.26Å; R41-V128 PolarHBondContact NH1-O 2.85Å; R41-V128 PolarHBondContact NH2-O 2.82Å; R41-I155 HydrophobicContact CG-CD1 4.13Å; R41-E359 IonicContact CZ-OE1 3.49Å; R41-E359 IonicContact CZ-OE2 3.45Å; R41-E359 IonicContact NE-OE1 2.78Å; R41-E359 PolarHBondContact NE-OE1 3.2Å; R41-E359 IonicContact NE-OE2 3.08Å; R41-E359 IonicContact NH2-OE1 2.82Å; R41-E359 PolarHBondContact NH2-OE1 2.91Å; R41-E359 IonicContact NH2-OE2 2.72Å; R41-E359 PolarHBondContact NH2-OE2 2.85Å
42W96.1Very high96.8Very high98 Ų9845.7 Ų45.737%0.37123%0.231SC..Hα-helixtrans-57.2-41.3179.1179.599.1000113.3A38 W39 R46A38-W42 WeakPolarHBondContact O-CB 3.15Å; A38-W42 PolarHBondContact O-N 3.46Å; W39-W42 HydrophobicContact CE3-CE3 4.24Å; W39-W42 HydrophobicContact CZ3-CE3 4.27Å; W39-W42 HydrophobicContact CZ3-CZ3 4.26Å; W39-W42 PolarHBondContact O-N 2.92Å; W42-R46 VanDerWaalsContact CE2-NH1 3.29Å; W42-R46 VanDerWaalsContact CZ2-CZ 3.46Å; W42-R46 VanDerWaalsContact CZ2-NE 3.32Å; W42-R46 VanDerWaalsContact NE1-NH1 3.13Å; W42-R46 VanDerWaalsContact NE1-NH2 3.13Å; W42-R46 WeakPolarHBondContact O-CG 3.4Å; W42-R46 PolarHBondContact O-NH1 3.49Å
43L97.4Very high96.8Very high55 Ų5544.1 Ų44.129%0.28822%0.224SC..Hα-helixtrans-77.8-47-177.7-179.657.1000111.7V29 L32 W39 Y40 R41 D45 R46 I47V29-L43 HydrophobicContact CG1-CD2 3.77Å; V29-L43 HydrophobicContact CG1-CG 4.24Å; V29-L43 HydrophobicContact CG2-CD2 3.85Å; V29-L43 HydrophobicContact CG2-CG 4.47Å; L32-L43 HydrophobicContact CD2-CD2 4.27Å; W39-L43 VanDerWaalsContact O-CB 3.31Å; W39-L43 WeakPolarHBondContact O-CB 3.15Å; W39-L43 PolarHBondContact O-N 2.89Å; Y40-L43 PolarHBondContact O-N 3.36Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 2.94Å; L43-D45 PolarHBondContact O-N 2.85Å; L43-R46 WeakPolarHBondContact O-CB 2.71Å; L43-R46 PolarHBondContact O-N 2.82Å; L43-I47 HydrophobicContact CD1-CD1 4.17Å; L43-I47 HydrophobicContact CD1-CG1 4.42Å; L43-I47 HydrophobicContact CG-CD1 3.99Å; L43-I47 WeakPolarHBondContact O-CG1 3.5Å; L43-I47 PolarHBondContact O-N 3.1Å
44T97.8Very high96.9Very high0 Ų043.9 Ų43.90%022%0.223CC..Hα-helixtrans-64.2-39.5-178.452.20000112.2L26 V29 Y40 R41 R46 I47 V48 V128L26-T44 HydrophobicContact CD2-CG2 4.21Å; V29-T44 HydrophobicContact CG1-CG2 3.8Å; Y40-T44 HydrophobicContact CD2-CG2 3.88Å; Y40-T44 HydrophobicContact CE1-CG2 4.48Å; Y40-T44 HydrophobicContact CE2-CG2 3.56Å; Y40-T44 HydrophobicContact CG-CG2 4.44Å; Y40-T44 WeakPolarHBondContact O-CB 3.13Å; Y40-T44 VanDerWaalsContact O-CG2 3.28Å; Y40-T44 WeakPolarHBondContact O-CG2 3.29Å; Y40-T44 PolarHBondContact O-N 3.3Å; Y40-T44 PolarHBondContact O-OG1 2.92Å; R41-T44 PolarHBondContact NH1-OG1 3.18Å; R41-T44 PolarHBondContact NH2-OG1 2.63Å; R41-T44 PolarHBondContact O-N 3.46Å; R41-T44 PolarHBondContact O-OG1 2.98Å; T44-R46 VanDerWaalsContact C-N 3.26Å; T44-R46 PolarHBondContact O-N 2.87Å; T44-I47 PolarHBondContact O-N 2.77Å; T44-V48 WeakPolarHBondContact O-CB 3.27Å; T44-V48 VanDerWaalsContact O-CG2 3.32Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 2.96Å; T44-V128 HydrophobicContact CG2-CG1 3.55Å
45D97.1Very high97Very high16 Ų1638.9 Ų38.99%0.08620%0.196CC..Hα-helixtrans-61.5-35.3175.6-77.6-4.5000112.3R41 L43 A49 R106 K109R41-D45 WeakPolarHBondContact CD-OD2 3.31Å; R41-D45 IonicContact CZ-OD1 3.15Å; R41-D45 IonicContact NH1-OD1 3.41Å; R41-D45 PolarHBondContact NH1-OD1 2.81Å; R41-D45 WeakPolarHBondContact O-CB 3.44Å; R41-D45 PolarHBondContact O-N 3.12Å; L43-D45 PolarHBondContact O-N 2.85Å; D45-A49 VanDerWaalsContact O-CB 3.26Å; D45-A49 WeakPolarHBondContact O-CB 3.21Å; D45-A49 PolarHBondContact O-N 3.06Å; D45-R106 HydrophobicContact CB-CB 4.37Å; D45-R106 WeakPolarHBondContact O-CB 3.25Å; D45-K109 VanDerWaalsContact CG-NZ 3.26Å; D45-K109 IonicContact OD1-NZ 3.53Å; D45-K109 PolarHBondContact OD1-NZ 3.36Å; D45-K109 IonicContact OD2-NZ 3.5Å; D45-K109 PolarHBondContact OD2-NZ 2.9Å
46R97.4Very high97.1Very high90 Ų9032.9 Ų32.934%0.3417%0.165SC..Hα-helixtrans-70.7-43.9174.7-76.317017168-0.2112.1W42 L43 T44 A49 T50W42-R46 VanDerWaalsContact CE2-NH1 3.29Å; W42-R46 VanDerWaalsContact CZ2-CZ 3.46Å; W42-R46 VanDerWaalsContact CZ2-NE 3.32Å; W42-R46 VanDerWaalsContact NE1-NH1 3.13Å; W42-R46 VanDerWaalsContact NE1-NH2 3.13Å; W42-R46 WeakPolarHBondContact O-CG 3.4Å; W42-R46 PolarHBondContact O-NH1 3.49Å; L43-R46 WeakPolarHBondContact O-CB 2.71Å; L43-R46 PolarHBondContact O-N 2.82Å; T44-R46 VanDerWaalsContact C-N 3.26Å; T44-R46 PolarHBondContact O-N 2.87Å; R46-A49 PolarHBondContact O-N 3.31Å; R46-T50 WeakPolarHBondContact O-CG2 3.2Å; R46-T50 PolarHBondContact O-N 3.4Å
47I98.1Very high97.2Very high27 Ų2731.2 Ų31.214%0.13815%0.154CC..Hα-helixtrans-61.1-50.5176.7-68.6168.4000110M25 L26 V29 L43 T44 A49 T50 W51M25-I47 HydrophobicContact CB-CG2 3.81Å; M25-I47 HydrophobicContact CE-CG2 3.83Å; M25-I47 HydrophobicContact SD-CG2 4.4Å; L26-I47 HydrophobicContact CD2-CB 3.82Å; L26-I47 HydrophobicContact CD2-CD1 4.24Å; L26-I47 HydrophobicContact CD2-CG2 3.43Å; L26-I47 VanDerWaalsContact CD2-CG2 3.43Å; L26-I47 HydrophobicContact CG-CG2 4.06Å; V29-I47 HydrophobicContact CG2-CD1 4.03Å; L43-I47 HydrophobicContact CD1-CD1 4.17Å; L43-I47 HydrophobicContact CD1-CG1 4.42Å; L43-I47 HydrophobicContact CG-CD1 3.99Å; L43-I47 WeakPolarHBondContact O-CG1 3.5Å; L43-I47 PolarHBondContact O-N 3.1Å; T44-I47 PolarHBondContact O-N 2.77Å; I47-A49 VanDerWaalsContact C-N 3.29Å; I47-A49 PolarHBondContact O-N 3.17Å; I47-T50 WeakPolarHBondContact O-CB 3.37Å; I47-T50 PolarHBondContact O-N 2.91Å; I47-T50 VanDerWaalsContact O-N 3.07Å; I47-T50 PolarHBondContact O-OG1 2.65Å; I47-W51 PolarHBondContact O-N 3.1Å
48V97.9Very high97.4Very high14 Ų1430.9 Ų30.99%0.08515%0.151CC..Hα-helixtrans-59.3-42179.1171.60000110.8L26 T44 T50 W51 L52 A129L26-V48 HydrophobicContact CD1-CG2 4.15Å; L26-V48 HydrophobicContact CD2-CG2 4.25Å; T44-V48 WeakPolarHBondContact O-CB 3.27Å; T44-V48 VanDerWaalsContact O-CG2 3.32Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 2.96Å; V48-T50 PolarHBondContact O-N 2.87Å; V48-W51 WeakPolarHBondContact O-CA 3.45Å; V48-W51 WeakPolarHBondContact O-CB 3.42Å; V48-W51 PolarHBondContact O-N 3.19Å; V48-L52 HydrophobicContact CG1-CD1 4.2Å; V48-L52 HydrophobicContact CG1-CG 4.14Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.45Å; V48-A129 HydrophobicContact CG1-CB 4.04Å; V48-A129 HydrophobicContact CG2-CB 4.06Å
49A97.5Very high97.6Very high16 Ų1627.7 Ų27.713%0.13213%0.125CC..Hα-helixtrans-57.9-33177.100000113.6D45 R46 I47 W51 L52 T53 L105 R106D45-A49 VanDerWaalsContact O-CB 3.26Å; D45-A49 WeakPolarHBondContact O-CB 3.21Å; D45-A49 PolarHBondContact O-N 3.06Å; R46-A49 PolarHBondContact O-N 3.31Å; I47-A49 VanDerWaalsContact C-N 3.29Å; I47-A49 PolarHBondContact O-N 3.17Å; A49-W51 VanDerWaalsContact C-N 3.29Å; A49-W51 PolarHBondContact O-N 3.32Å; A49-L52 PolarHBondContact O-N 2.83Å; A49-T53 PolarHBondContact O-N 2.92Å; A49-L105 HydrophobicContact CB-CB 4.37Å; A49-R106 HydrophobicContact CB-CB 3.7Å
50T97.6Very high97.6Very high53 Ų5321.1 Ų21.133%0.32510%0.101SC..Hα-helixtrans-66.1-31.7173.370.30000112.4R46 I47 V48 T53 W317R46-T50 WeakPolarHBondContact O-CG2 3.2Å; R46-T50 PolarHBondContact O-N 3.4Å; I47-T50 WeakPolarHBondContact O-CB 3.37Å; I47-T50 PolarHBondContact O-N 2.91Å; I47-T50 VanDerWaalsContact O-N 3.07Å; I47-T50 PolarHBondContact O-OG1 2.65Å; V48-T50 PolarHBondContact O-N 2.87Å; T50-T53 PolarHBondContact O-OG1 2.89Å; T50-W317 PolarHBondContact O-NE1 2.91Å
51W98.2Very high97.6Very high22 Ų2225 Ų258%0.08312%0.122CC..Hα-helixtrans-76.4-37.2174.9-175.485000111.2L14 S18 I47 V48 A49 T53 L54 P55 W96 F122 W317L14-W51 HydrophobicContact CB-CZ2 4.25Å; L14-W51 HydrophobicContact CD2-CZ2 4.13Å; L14-W51 PolarHBondContact O-NE1 3.31Å; S18-W51 VanDerWaalsContact N-NE1 3.11Å; I47-W51 PolarHBondContact O-N 3.1Å; V48-W51 WeakPolarHBondContact O-CA 3.45Å; V48-W51 WeakPolarHBondContact O-CB 3.42Å; V48-W51 PolarHBondContact O-N 3.19Å; A49-W51 VanDerWaalsContact C-N 3.29Å; A49-W51 PolarHBondContact O-N 3.32Å; W51-T53 PolarHBondContact O-N 3.37Å; W51-T53 VanDerWaalsContact O-N 3.16Å; W51-L54 VanDerWaalsContact O-CB 3.3Å; W51-L54 WeakPolarHBondContact O-CB 3.41Å; W51-L54 PolarHBondContact O-N 2.95Å; W51-P55 HydrophobicContact CH2-CG 4.24Å; W51-P55 HydrophobicContact CZ3-CG 4.39Å; W51-P55 WeakPolarHBondContact O-CD 3.45Å; W51-W96 HydrophobicContact CH2-CZ3 4.42Å; W51-W96 AromaticContact CZ3-CH2 3.84Å; W51-W96 HydrophobicContact CZ3-CH2 3.84Å; W51-W96 AromaticContact CZ3-CZ3 3.91Å; W51-W96 HydrophobicContact CZ3-CZ3 3.91Å; W51-F122 AromaticContact CH2-CD1 3.69Å; W51-F122 HydrophobicContact CH2-CD1 3.69Å; W51-F122 AromaticContact CH2-CE1 3.47Å; W51-F122 HydrophobicContact CH2-CE1 3.47Å; W51-F122 VanDerWaalsContact CH2-CE1 3.47Å; W51-F122 AromaticContact CZ2-CD1 3.89Å; W51-F122 HydrophobicContact CZ2-CD1 3.89Å; W51-F122 AromaticContact CZ2-CE1 3.4Å; W51-F122 HydrophobicContact CZ2-CE1 3.4Å; W51-F122 VanDerWaalsContact CZ2-CE1 3.4Å; W51-F122 HydrophobicContact CZ2-CZ 4.46Å; W51-W317 VanDerWaalsContact CA-CZ2 3.42Å; W51-W317 HydrophobicContact CB-CH2 3.94Å; W51-W317 HydrophobicContact CB-CZ2 3.48Å; W51-W317 VanDerWaalsContact CB-CZ2 3.48Å; W51-W317 AromaticContact CD1-CH2 3.66Å; W51-W317 AromaticContact CD1-CZ2 3.76Å; W51-W317 AromaticContact CD1-CZ3 3.95Å; W51-W317 HydrophobicContact CG-CH2 4.2Å; W51-W317 HydrophobicContact CG-CZ2 4.03Å
52L97.8Very high97.6Very high5 Ų527.4 Ų27.43%0.02614%0.136CC..Hα-helixtrans-59.9-25.1176.1-61.2-179.9000112.9V48 A49 P55 W96 L105V48-L52 HydrophobicContact CG1-CD1 4.2Å; V48-L52 HydrophobicContact CG1-CG 4.14Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.45Å; A49-L52 PolarHBondContact O-N 2.83Å; L52-P55 WeakPolarHBondContact O-CD 3.47Å; L52-W96 HydrophobicContact CD2-CD2 4.12Å; L52-W96 HydrophobicContact CD2-CE3 4.13Å; L52-W96 HydrophobicContact CD2-CH2 3.25Å; L52-W96 HydrophobicContact CD2-CZ2 3.34Å; L52-W96 HydrophobicContact CD2-CZ3 3.74Å; L52-L105 HydrophobicContact CB-CB 4.2Å; L52-L105 HydrophobicContact CB-CD1 3.95Å; L52-L105 HydrophobicContact CB-CG 4.46Å; L52-L105 HydrophobicContact CD1-CB 4.05Å
53T97.9Very high97.5Very high17 Ų1724 Ų2410%0.10412%0.124CC..Hα-helixtrans-73.6-24.6173.158.80000113.5A49 T50 W51 V56 S57 L100 L105 I309 S313A49-T53 PolarHBondContact O-N 2.92Å; T50-T53 PolarHBondContact O-OG1 2.89Å; W51-T53 PolarHBondContact O-N 3.37Å; W51-T53 VanDerWaalsContact O-N 3.16Å; T53-V56 PolarHBondContact O-N 3.25Å; T53-S57 WeakPolarHBondContact O-CB 3.4Å; T53-S57 PolarHBondContact O-N 3.11Å; T53-S57 PolarHBondContact O-OG 3.35Å; T53-L100 HydrophobicContact CG2-CD1 3.99Å; T53-L105 HydrophobicContact CG2-CD1 3.7Å; T53-I309 HydrophobicContact CG2-CG2 4.1Å; T53-S313 WeakPolarHBondContact OG1-CB 3.46Å; T53-S313 PolarHBondContact OG1-OG 3.11Å
54L98.3Very high97.4Very high4 Ų424 Ų242%0.02114%0.138CC..Hα-helixtrans-61.5-52.8-179.2173.863.2000112.7L14 W51 V56 S57 L58 S313 L314 W317L14-L54 HydrophobicContact CD2-CD2 4.31Å; L14-L54 HydrophobicContact CD2-CG 4.18Å; W51-L54 VanDerWaalsContact O-CB 3.3Å; W51-L54 WeakPolarHBondContact O-CB 3.41Å; W51-L54 PolarHBondContact O-N 2.95Å; L54-V56 VanDerWaalsContact C-N 3.31Å; L54-V56 PolarHBondContact O-N 3.17Å; L54-S57 PolarHBondContact O-N 3.03Å; L54-S57 VanDerWaalsContact O-N 3.15Å; L54-L58 HydrophobicContact CD1-CD1 3.98Å; L54-L58 HydrophobicContact CD1-CG 4.02Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.27Å; L54-S313 PolarHBondContact N-OG 3.1Å; L54-L314 HydrophobicContact CD1-CD2 4.18Å; L54-W317 HydrophobicContact CB-CG 4.14Å; L54-W317 HydrophobicContact CD1-CB 3.84Å; L54-W317 HydrophobicContact CD1-CG 4.15Å; L54-W317 HydrophobicContact CD2-CB 3.99Å; L54-W317 HydrophobicContact CD2-CD2 4.14Å; L54-W317 HydrophobicContact CD2-CG 3.87Å; L54-W317 HydrophobicContact CG-CB 4.39Å; L54-W317 HydrophobicContact CG-CG 4.27Å
55P97.9Very high97.4Very high0 Ų024.3 Ų24.30%014%0.139CC..Hα-helixtrans-55.5-44174.9-11.211.4000113L14 W51 L52 S57 L58 L59 M93 W96L14-P55 HydrophobicContact CD1-CB 4.48Å; L14-P55 HydrophobicContact CD2-CB 3.85Å; L14-P55 HydrophobicContact CD2-CG 3.63Å; W51-P55 HydrophobicContact CH2-CG 4.24Å; W51-P55 HydrophobicContact CZ3-CG 4.39Å; W51-P55 WeakPolarHBondContact O-CD 3.45Å; L52-P55 WeakPolarHBondContact O-CD 3.47Å; P55-S57 VanDerWaalsContact C-N 3.3Å; P55-S57 PolarHBondContact O-N 3.46Å; P55-L58 PolarHBondContact O-N 2.93Å; P55-L59 WeakPolarHBondContact O-CB 3.08Å; P55-L59 WeakPolarHBondContact O-CG 3.45Å; P55-L59 PolarHBondContact O-N 3.36Å; P55-M93 HydrophobicContact CB-CG 3.91Å; P55-M93 HydrophobicContact CB-SD 3.89Å; P55-W96 HydrophobicContact CB-CE3 4.16Å; P55-W96 HydrophobicContact CB-CZ3 4.28Å; P55-W96 HydrophobicContact CG-CE3 3.8Å; P55-W96 HydrophobicContact CG-CZ3 3.59Å
56V98.1Very high97.3Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-60.5-43.5178-178.40000110.9T53 L54 L59 E60 W96 C97 L100 K310T53-V56 PolarHBondContact O-N 3.25Å; L54-V56 VanDerWaalsContact C-N 3.31Å; L54-V56 PolarHBondContact O-N 3.17Å; V56-L59 PolarHBondContact O-N 3.3Å; V56-E60 WeakPolarHBondContact CG1-OE1 3.35Å; V56-E60 PolarHBondContact O-N 3.03Å; V56-W96 HydrophobicContact CG2-CB 3.53Å; V56-C97 HydrophobicContact CG1-CB 4.25Å; V56-L100 HydrophobicContact CB-CD2 4.22Å; V56-L100 HydrophobicContact CG1-CB 4.46Å; V56-L100 HydrophobicContact CG1-CD2 3.54Å; V56-K310 HydrophobicContact CG1-CD 4.22Å; V56-K310 HydrophobicContact CG1-CG 4.5Å
57S98.1Very high97.2Very high0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-67.5-41.9-179.4-49.60000112T53 L54 P55 L61 K310 S313T53-S57 WeakPolarHBondContact O-CB 3.4Å; T53-S57 PolarHBondContact O-N 3.11Å; T53-S57 PolarHBondContact O-OG 3.35Å; L54-S57 PolarHBondContact O-N 3.03Å; L54-S57 VanDerWaalsContact O-N 3.15Å; P55-S57 VanDerWaalsContact C-N 3.3Å; P55-S57 PolarHBondContact O-N 3.46Å; S57-L61 VanDerWaalsContact O-CB 3.27Å; S57-L61 WeakPolarHBondContact O-CB 3.41Å; S57-L61 PolarHBondContact O-N 2.83Å; S57-K310 WeakPolarHBondContact CB-O 3.43Å; S57-K310 WeakPolarHBondContact OG-CA 3.45Å; S57-K310 PolarHBondContact OG-O 3.28Å; S57-S313 WeakPolarHBondContact OG-CB 3.5Å
58L98Very high96.9Very high2 Ų224.8 Ų24.81%0.0115%0.145CC..Iπ-helixtrans-60.7-56.3173.8-71.9169.2000110.1F9 F10 A13 L14 L54 P55 E60 V62 F63 L314F9-L58 HydrophobicContact CE1-CD2 3.75Å; F9-L58 HydrophobicContact CZ-CD2 4.34Å; F10-L58 HydrophobicContact CD2-CB 3.72Å; F10-L58 HydrophobicContact CD2-CD1 3.94Å; F10-L58 HydrophobicContact CD2-CG 4.39Å; F10-L58 HydrophobicContact CE2-CB 3.63Å; F10-L58 HydrophobicContact CE2-CD1 4.12Å; A13-L58 HydrophobicContact CB-CD1 3.97Å; L14-L58 HydrophobicContact CD2-CD1 3.83Å; L14-L58 HydrophobicContact CG-CD1 4.27Å; L54-L58 HydrophobicContact CD1-CD1 3.98Å; L54-L58 HydrophobicContact CD1-CG 4.02Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.27Å; P55-L58 PolarHBondContact O-N 2.93Å; L58-E60 PolarHBondContact O-N 2.9Å; L58-V62 HydrophobicContact CD2-CG2 4.08Å; L58-V62 WeakPolarHBondContact O-CA 3.27Å; L58-V62 VanDerWaalsContact O-CB 3.29Å; L58-V62 WeakPolarHBondContact O-CB 3.36Å; L58-V62 PolarHBondContact O-N 3.42Å; L58-F63 HydrophobicContact CB-CD2 4.43Å; L58-F63 HydrophobicContact CB-CE2 4.39Å; L58-F63 VanDerWaalsContact O-CD2 3.24Å; L58-F63 WeakPolarHBondContact O-CD2 3.31Å; L58-F63 PolarHBondContact O-N 2.81Å; L58-L314 HydrophobicContact CD2-CD2 3.8Å; L58-L314 HydrophobicContact CG-CD2 4.04Å
59L97.6Very high96.6Very high0 Ų024.6 Ų24.60%014%0.143CC..Iπ-helixtrans-52.6-52.4-178.1-72.2168000111.3F10 P55 V56 F63 G64 V65 M93 F94 F240F10-L59 HydrophobicContact CE2-CD2 3.91Å; F10-L59 HydrophobicContact CE2-CG 3.93Å; F10-L59 HydrophobicContact CZ-CD2 3.97Å; F10-L59 HydrophobicContact CZ-CG 4.12Å; P55-L59 WeakPolarHBondContact O-CB 3.08Å; P55-L59 WeakPolarHBondContact O-CG 3.45Å; P55-L59 PolarHBondContact O-N 3.36Å; V56-L59 PolarHBondContact O-N 3.3Å; L59-F63 CarbonylContact O-C 3.55Å; L59-F63 WeakPolarHBondContact O-CB 3.41Å; L59-F63 PolarHBondContact O-N 3.44Å; L59-G64 PolarHBondContact O-N 3.46Å; L59-G64 VanDerWaalsContact O-N 3.1Å; L59-V65 HydrophobicContact CB-CB 4.22Å; L59-V65 HydrophobicContact CB-CG2 4.05Å; L59-V65 HydrophobicContact CD2-CG2 4.05Å; L59-V65 WeakPolarHBondContact O-CB 3.49Å; L59-V65 VanDerWaalsContact O-CG2 3.26Å; L59-V65 WeakPolarHBondContact O-CG2 3.3Å; L59-V65 PolarHBondContact O-N 2.96Å; L59-M93 HydrophobicContact CD1-CE 4.45Å; L59-F94 HydrophobicContact CD1-CD1 3.72Å; L59-F94 HydrophobicContact CD1-CE1 3.99Å; L59-F94 HydrophobicContact CD2-CE1 3.97Å; L59-F240 HydrophobicContact CD2-CD1 3.96Å; L59-F240 HydrophobicContact CD2-CE1 4.5Å
60E97.3Very high96.4Very high21 Ų2123.8 Ų23.810%0.09814%0.137CC..Iπ-helixtrans-84-42.2-171.7-62.5-171.7-142.900114.3V56 L58 G64 V67 R101 K310V56-E60 WeakPolarHBondContact CG1-OE1 3.35Å; V56-E60 PolarHBondContact O-N 3.03Å; L58-E60 PolarHBondContact O-N 2.9Å; E60-G64 WeakPolarHBondContact O-CA 3.45Å; E60-G64 PolarHBondContact O-N 3.18Å; E60-V67 HydrophobicContact CG-CG2 4.39Å; E60-R101 IonicContact OE1-CZ 2.7Å; E60-R101 IonicContact OE1-NH1 3.95Å; E60-R101 PolarHBondContact OE1-NH1 3.43Å; E60-R101 IonicContact OE1-NH2 3.66Å; E60-R101 PolarHBondContact OE1-NH2 2.82Å; E60-R101 IonicContact OE2-CZ 3.32Å; E60-R101 IonicContact OE2-NH1 3.97Å; E60-R101 PolarHBondContact OE2-NH1 2.94Å; E60-R101 IonicContact OE2-NH2 3.15Å; E60-R101 PolarHBondContact OE2-NH2 3.36Å; E60-K310 HydrophobicContact CB-CD 4.16Å; E60-K310 IonicContact OE2-NZ 2.69Å; E60-K310 PolarHBondContact OE2-NZ 3.26Å
61L97Very high96.1Very high83 Ų8322.3 Ų22.344%0.43513%0.131SC..Iπ-helixtrans-88.7-34-175.5-60.3-176.3000113.2S57 K310 A311 L314S57-L61 VanDerWaalsContact O-CB 3.27Å; S57-L61 WeakPolarHBondContact O-CB 3.41Å; S57-L61 PolarHBondContact O-N 2.83Å; L61-K310 HydrophobicContact CD1-CB 3.52Å; L61-K310 HydrophobicContact CG-CB 4.03Å; L61-K310 HydrophobicContact CG-CD 4.34Å; L61-A311 HydrophobicContact CD1-CB 4.45Å; L61-L314 HydrophobicContact CB-CD1 3.98Å; L61-L314 HydrophobicContact CD1-CD1 3.88Å
62V96Very high95.7Very high52 Ų5225.9 Ų25.932%0.31515%0.152SC..Iπ-helixtrans-96.1-37.7-175.8-176.80000111.8R6 F9 L58 L314R6-V62 PolarHBondContact NH2-O 3.07Å; F9-V62 HydrophobicContact CE1-CG1 4.23Å; L58-V62 HydrophobicContact CD2-CG2 4.08Å; L58-V62 WeakPolarHBondContact O-CA 3.27Å; L58-V62 VanDerWaalsContact O-CB 3.29Å; L58-V62 WeakPolarHBondContact O-CB 3.36Å; L58-V62 PolarHBondContact O-N 3.42Å; V62-L314 HydrophobicContact CG2-CD1 3.93Å; V62-L314 HydrophobicContact CG2-CD2 4.3Å
63F95.3Very high95.2Very high28 Ų2825.7 Ų25.712%0.12315%0.152CC..SBendtrans-102.9-6.2-178.4-64.1-82.5000113.7R6 F9 F10 L58 L59 V65 F240R6-F63 HydrophobicContact CB-CE1 3.59Å; R6-F63 HydrophobicContact CB-CZ 4.24Å; R6-F63 WeakPolarHBondContact O-CZ 3.5Å; F9-F63 HydrophobicContact CD1-CZ 4.32Å; F10-F63 HydrophobicContact CB-CE2 3.86Å; F10-F63 HydrophobicContact CB-CZ 3.74Å; F10-F63 AromaticContact CD2-CD2 3.9Å; F10-F63 HydrophobicContact CD2-CD2 3.9Å; F10-F63 AromaticContact CD2-CE2 3.53Å; F10-F63 HydrophobicContact CD2-CE2 3.53Å; F10-F63 HydrophobicContact CD2-CZ 4.25Å; F10-F63 HydrophobicContact CG-CE2 4.14Å; F10-F63 HydrophobicContact CG-CZ 4.44Å; L58-F63 HydrophobicContact CB-CD2 4.43Å; L58-F63 HydrophobicContact CB-CE2 4.39Å; L58-F63 VanDerWaalsContact O-CD2 3.24Å; L58-F63 WeakPolarHBondContact O-CD2 3.31Å; L58-F63 PolarHBondContact O-N 2.81Å; L59-F63 CarbonylContact O-C 3.55Å; L59-F63 WeakPolarHBondContact O-CB 3.41Å; L59-F63 PolarHBondContact O-N 3.44Å; F63-V65 VanDerWaalsContact C-N 3.27Å; F63-V65 HydrophobicContact CB-CG2 4.34Å; F63-V65 PolarHBondContact O-N 2.92Å; F63-F240 HydrophobicContact CB-CB 4.44Å; F63-F240 HydrophobicContact CB-CD1 4.38Å; F63-F240 HydrophobicContact CB-CD2 4.43Å; F63-F240 HydrophobicContact CB-CG 4.15Å; F63-F240 HydrophobicContact CD1-CD1 4.25Å; F63-F240 AromaticContact CD1-CD2 3.35Å; F63-F240 HydrophobicContact CD1-CD2 3.35Å; F63-F240 HydrophobicContact CD1-CE1 4.17Å; F63-F240 AromaticContact CD1-CE2 3.27Å; F63-F240 HydrophobicContact CD1-CE2 3.27Å; F63-F240 AromaticContact CD1-CG 3.87Å; F63-F240 HydrophobicContact CD1-CG 3.87Å; F63-F240 AromaticContact CD1-CZ 3.71Å; F63-F240 HydrophobicContact CD1-CZ 3.71Å; F63-F240 HydrophobicContact CD2-CE1 4.24Å; F63-F240 HydrophobicContact CD2-CZ 4.32Å; F63-F240 AromaticContact CE1-CD2 3.77Å; F63-F240 HydrophobicContact CE1-CD2 3.77Å; F63-F240 HydrophobicContact CE1-CE1 4.22Å; F63-F240 AromaticContact CE1-CE2 3.14Å; F63-F240 HydrophobicContact CE1-CE2 3.14Å; F63-F240 AromaticContact CE1-CZ 3.41Å; F63-F240 HydrophobicContact CE1-CZ 3.41Å; F63-F240 VanDerWaalsContact CE1-CZ 3.41Å; F63-F240 HydrophobicContact CE2-CE1 4.42Å; F63-F240 HydrophobicContact CE2-CZ 4.19Å; F63-F240 HydrophobicContact CG-CD1 4.12Å; F63-F240 HydrophobicContact CG-CD2 4Å; F63-F240 HydrophobicContact CG-CE1 4.17Å; F63-F240 HydrophobicContact CG-CE2 4.06Å; F63-F240 HydrophobicContact CG-CG 4.05Å; F63-F240 HydrophobicContact CG-CZ 4.15Å; F63-F240 HydrophobicContact CZ-CE1 4.41Å; F63-F240 AromaticContact CZ-CE2 3.96Å; F63-F240 HydrophobicContact CZ-CE2 3.96Å; F63-F240 AromaticContact CZ-CZ 3.74Å; F63-F240 HydrophobicContact CZ-CZ 3.74Å
64G95.6Very high94.8Very high55 Ų5525.6 Ų25.657%0.56715%0.15SC*.  trans67.326174.400000113.7L59 E60 K66L59-G64 PolarHBondContact O-N 3.46Å; L59-G64 VanDerWaalsContact O-N 3.1Å; E60-G64 WeakPolarHBondContact O-CA 3.45Å; E60-G64 PolarHBondContact O-N 3.18Å; G64-K66 PolarHBondContact O-N 3.46Å
65V96.7Very high94.5Very high6 Ų629.4 Ų29.44%0.03617%0.169CC..  trans-64.3120.2176.2177.80000109.2L59 F63 V67 F240 P241 I244L59-V65 HydrophobicContact CB-CB 4.22Å; L59-V65 HydrophobicContact CB-CG2 4.05Å; L59-V65 HydrophobicContact CD2-CG2 4.05Å; L59-V65 WeakPolarHBondContact O-CB 3.49Å; L59-V65 VanDerWaalsContact O-CG2 3.26Å; L59-V65 WeakPolarHBondContact O-CG2 3.3Å; L59-V65 PolarHBondContact O-N 2.96Å; F63-V65 VanDerWaalsContact C-N 3.27Å; F63-V65 HydrophobicContact CB-CG2 4.34Å; F63-V65 PolarHBondContact O-N 2.92Å; V65-V67 HydrophobicContact CG1-CG2 4.33Å; V65-F240 HydrophobicContact CG2-CB 4.39Å; V65-P241 HydrophobicContact CG1-CG 4.24Å; V65-P241 WeakPolarHBondContact CG1-O 3.42Å; V65-P241 HydrophobicContact CG2-CG 4.38Å; V65-P241 WeakPolarHBondContact CG2-O 3.36Å; V65-I244 HydrophobicContact CG1-CD1 3.84Å; V65-I244 HydrophobicContact CG1-CG1 3.85Å
66K95.4Very high94Very high109 Ų10931.9 Ų31.947%0.47419%0.186SC..EExtended strand (participates in β ladder)trans-84.1135.3174.1-177.2-178.6171-145.50110.3G64 V68 R242 E243 I244G64-K66 PolarHBondContact O-N 3.46Å; K66-V68 HydrophobicContact CG-CG2 4.43Å; K66-R242 PolarHBondContact N-O 2.86Å; K66-E243 HydrophobicContact CB-CB 4.25Å; K66-E243 HydrophobicContact CB-CG 4.11Å; K66-E243 HydrophobicContact CD-CG 4.21Å; K66-E243 WeakPolarHBondContact CE-OE1 3.2Å; K66-E243 HydrophobicContact CG-CG 4.25Å; K66-E243 IonicContact NZ-OE1 2.71Å; K66-E243 PolarHBondContact NZ-OE1 3.48Å; K66-E243 CarbonylContact O-C 3.5Å; K66-E243 WeakPolarHBondContact O-CA 3.48Å; K66-I244 PolarHBondContact O-N 2.96Å
67V94Very high93.6Very high23 Ų2333.2 Ų33.214%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-120.6128178.1-177.60000109.6E60 V65 I69 C97 I244 F246E60-V67 HydrophobicContact CG-CG2 4.39Å; V65-V67 HydrophobicContact CG1-CG2 4.33Å; V67-I69 HydrophobicContact CG1-CD1 3.93Å; V67-I69 HydrophobicContact CG1-CG1 4.08Å; V67-C97 HydrophobicContact CG1-CB 4.21Å; V67-C97 HydrophobicContact CG2-CB 3.78Å; V67-I244 WeakPolarHBondContact CA-O 3.37Å; V67-F246 HydrophobicContact CG1-CD2 3.97Å; V67-F246 HydrophobicContact CG1-CE2 3.96Å
68V92.8Very high93.4Very high10 Ų1034 Ų346%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-120.8129178.9-1790000108.6K66 T70 E243 I244 H245 F246K66-V68 HydrophobicContact CG-CG2 4.43Å; V68-T70 HydrophobicContact CG1-CG2 4.39Å; V68-E243 WeakPolarHBondContact CG2-OE1 3.22Å; V68-I244 PolarHBondContact N-O 3Å; V68-H245 CarbonylContact O-C 3.47Å; V68-H245 WeakPolarHBondContact O-CA 3.43Å; V68-F246 PolarHBondContact O-N 2.68Å
69I92.1Very high93.4Very high10 Ų1036.2 Ų36.25%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-127.5131.2-176.4-62.5151.3000108.5V67 C98 Y102 F246 V248V67-I69 HydrophobicContact CG1-CD1 3.93Å; V67-I69 HydrophobicContact CG1-CG1 4.08Å; I69-C98 HydrophobicContact CD1-CB 3.99Å; I69-C98 HydrophobicContact CG1-CB 4.39Å; I69-Y102 HydrophobicContact CB-CE2 3.9Å; I69-Y102 HydrophobicContact CD1-CD2 3.8Å; I69-Y102 HydrophobicContact CD1-CE2 3.39Å; I69-Y102 HydrophobicContact CG1-CE2 4.2Å; I69-Y102 HydrophobicContact CG2-CD2 4.16Å; I69-Y102 HydrophobicContact CG2-CE2 3.73Å; I69-F246 CarbonylContact C-O 3.56Å; I69-F246 WeakPolarHBondContact CA-O 3.43Å; I69-F246 HydrophobicContact CG1-CB 4.16Å; I69-F246 HydrophobicContact CG1-CD2 4.13Å; I69-V248 HydrophobicContact CG2-CG2 4.43Å
70T93.1Very high93.3Very high0 Ų036.3 Ų36.30%021%0.211CC..EExtended strand (participates in β ladder)trans-135.6163.5-175.959.50000110.8V68 F246 H247 V248 F289 D290 V294V68-T70 HydrophobicContact CG1-CG2 4.39Å; T70-F246 PolarHBondContact N-O 3.31Å; T70-F246 PolarHBondContact OG1-O 3.41Å; T70-H247 PolarHBondContact OG1-ND1 3.01Å; T70-V248 PolarHBondContact O-N 3.12Å; T70-F289 HydrophobicContact CG2-CB 4.21Å; T70-F289 WeakPolarHBondContact OG1-CB 3.37Å; T70-D290 HydrophobicContact CG2-CB 4Å; T70-V294 HydrophobicContact CG2-CG1 4.5Å
71G91.4Very high93.4Very high21 Ų2135.3 Ų35.322%0.21621%0.207CC..EExtended strand (participates in β ladder)trans99.1-133.8175.900000113.7V248 V297G71-V248 CarbonylContact C-O 3.52Å; G71-V248 WeakPolarHBondContact CA-O 3.32Å; G71-V297 WeakPolarHBondContact O-CG2 3.47Å
72D89.8Confident93.5Very high98 Ų9831.3 Ų31.352%0.52419%0.186SC..SBendtrans-93.6-17.7-171.8-56.8-29.4000113.4V248 R249 R250D72-V248 PolarHBondContact N-O 3.39Å; D72-R249 WeakPolarHBondContact OD2-CA 3.12Å; D72-R250 HydrophobicContact CB-CB 4Å; D72-R250 PolarHBondContact OD2-N 3.22Å
73G86.6Confident93.6Very high1 Ų128.9 Ų28.91%0.0117%0.171CC..  trans67.2-150.4-174.800000113.5H218 V248G73-H218 PolarHBondContact O-CD2 3.09Å; G73-V248 VanDerWaalsContact O-CG1 3.25Å; G73-V248 WeakPolarHBondContact O-CG1 3.45Å
74F90.8Very high93.7Very high15 Ų1527.5 Ų27.57%0.06617%0.165CC..  trans-126.8149.9179.5-69.4-101.4000110.4P76 I82 L99 H218 I220 V248F74-P76 WeakPolarHBondContact O-CD 3.37Å; F74-I82 HydrophobicContact CE1-CD1 3.77Å; F74-I82 HydrophobicContact CE1-CG1 4.13Å; F74-I82 HydrophobicContact CZ-CD1 4.24Å; F74-L99 HydrophobicContact CD1-CD2 4.2Å; F74-L99 HydrophobicContact CD2-CD2 4.46Å; F74-L99 HydrophobicContact CE1-CD2 3.66Å; F74-L99 HydrophobicContact CE2-CD2 3.95Å; F74-L99 HydrophobicContact CZ-CD2 3.48Å; F74-L99 VanDerWaalsContact CZ-CD2 3.48Å; F74-H218 AromaticContact CD1-CD2 3.69Å; F74-H218 AromaticContact CD1-CE1 3.79Å; F74-H218 AromaticContact CD1-CG 3.84Å; F74-H218 AromaticContact CD1-ND1 3.88Å; F74-H218 AromaticContact CD1-NE2 3.65Å; F74-H218 HydrophobicContact CE1-CB 4.06Å; F74-H218 AromaticContact CE1-CD2 3.96Å; F74-H218 AromaticContact CE1-CG 3.75Å; F74-H218 AromaticContact CE1-ND1 3.99Å; F74-I220 HydrophobicContact CE2-CD1 4.29Å; F74-I220 HydrophobicContact CZ-CD1 3.68Å; F74-V248 HydrophobicContact CE2-CG1 4.25Å; F74-V248 HydrophobicContact CE2-CG2 4.17Å
75I90.8Very high93.9Very high83 Ų8325 Ų2543%0.42614%0.138SC..  trans-89.2116.9165.3-58.6-177.3000108.1G77 E78I75-G77 PolarHBondContact O-N 2.95Å; I75-E78 HydrophobicContact CB-CB 3.97Å; I75-E78 HydrophobicContact CG2-CB 4.29Å; I75-E78 WeakPolarHBondContact O-CB 3.11Å; I75-E78 PolarHBondContact O-N 3.35Å; I75-E78 VanDerWaalsContact O-N 3.14Å
76P88.3Confident93.9Very high53 Ų5325.8 Ų25.834%0.34414%0.142SC..THydrogen-bonded Turntrans-61.2126.3-176.7-24.234.1000112.3F74 E78 Y104 C300F74-P76 WeakPolarHBondContact O-CD 3.37Å; P76-E78 VanDerWaalsContact C-N 3.34Å; P76-Y104 HydrophobicContact CB-CD2 4.47Å; P76-Y104 HydrophobicContact CB-CE2 3.74Å; P76-C300 HydrophobicContact CG-CB 3.67Å
77G89.6Confident93.9Very high28 Ų2823.2 Ų23.229%0.28913%0.129SC..THydrogen-bonded Turntrans87.7-0.7179.900000114.7I75 P158I75-G77 PolarHBondContact O-N 2.95Å; G77-P158 WeakPolarHBondContact O-CB 3.4Å
78E93.5Very high94Very high15 Ų1522.1 Ų22.17%0.0712%0.122CC..  trans-70139.7177.5-175.2170-12200112.8I75 P76 S80 Q160 D215 H218 R250I75-E78 HydrophobicContact CB-CB 3.97Å; I75-E78 HydrophobicContact CG2-CB 4.29Å; I75-E78 WeakPolarHBondContact O-CB 3.11Å; I75-E78 PolarHBondContact O-N 3.35Å; I75-E78 VanDerWaalsContact O-N 3.14Å; P76-E78 VanDerWaalsContact C-N 3.34Å; E78-S80 PolarHBondContact O-N 2.93Å; E78-Q160 PolarHBondContact O-NE2 2.57Å; E78-D215 HydrophobicContact CG-CB 3.5Å; E78-H218 IonicContact OE2-CE1 2.89Å; E78-H218 PolarHBondContact OE2-CE1 3.36Å; E78-H218 IonicContact OE2-NE2 3.51Å; E78-R250 IonicContact OE1-CZ 3.25Å; E78-R250 VanDerWaalsContact OE1-CZ 3.25Å; E78-R250 IonicContact OE1-NE 3.99Å; E78-R250 PolarHBondContact OE1-NE 2.81Å; E78-R250 VanDerWaalsContact OE1-NE 3.12Å; E78-R250 IonicContact OE1-NH2 2.62Å; E78-R250 PolarHBondContact OE1-NH2 3.2Å; E78-R250 IonicContact OE2-CZ 3.77Å; E78-R250 IonicContact OE2-NE 3.92Å; E78-R250 PolarHBondContact OE2-NE 3.13Å; E78-R250 IonicContact OE2-NH2 3.87Å
79R97Very high94.2Very high50 Ų5026.3 Ų26.319%0.18914%0.137CC..  trans-79113173.5-56.4170-69.4175.110.3108.8P158 L159 D212 N213 D215 A216R79-P158 HydrophobicContact CG-CB 4.19Å; R79-L159 CarbonylContact C-O 3.59Å; R79-L159 VanDerWaalsContact CA-O 3.31Å; R79-L159 WeakPolarHBondContact CA-O 3.34Å; R79-D212 PolarHBondContact NH1-O 3.08Å; R79-D212 IonicContact NH2-OD1 3Å; R79-N213 WeakPolarHBondContact CD-OD1 3.48Å; R79-D215 VanDerWaalsContact CB-OD2 3.23Å; R79-D215 WeakPolarHBondContact CB-OD2 3.45Å; R79-D215 WeakPolarHBondContact CG-OD2 3.44Å; R79-D215 IonicContact CZ-OD1 2.75Å; R79-D215 VanDerWaalsContact CZ-OD1 3.32Å; R79-D215 IonicContact CZ-OD2 3.79Å; R79-D215 PolarHBondContact N-OD2 2.92Å; R79-D215 IonicContact NE-OD1 2.62Å; R79-D215 PolarHBondContact NE-OD1 3.15Å; R79-D215 VanDerWaalsContact NE-OD1 3.15Å; R79-D215 IonicContact NE-OD2 2.9Å; R79-D215 PolarHBondContact NE-OD2 3.23Å; R79-D215 IonicContact NH2-OD1 3.59Å; R79-D215 PolarHBondContact NH2-OD1 2.92Å; R79-D215 IonicContact NH2-OD2 3.76Å; R79-D215 WeakPolarHBondContact O-CB 3.46Å; R79-D215 PolarHBondContact O-N 2.95Å; R79-A216 PolarHBondContact O-N 2.69Å
80S97.1Very high94.3Very high1 Ų126 Ų261%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-144.6153.1-174.563.80000115E78 L159 Q160 L161 A216 H218E78-S80 PolarHBondContact O-N 2.93Å; S80-L159 PolarHBondContact N-O 3.46Å; S80-Q160 CarbonylContact O-C 3.53Å; S80-Q160 VanDerWaalsContact O-CA 3.31Å; S80-Q160 WeakPolarHBondContact O-CA 3.23Å; S80-L161 PolarHBondContact O-N 3.02Å; S80-A216 WeakPolarHBondContact CA-O 3.47Å; S80-A216 WeakPolarHBondContact CB-O 3.32Å; S80-H218 WeakPolarHBondContact CB-ND1 3.46Å; S80-H218 PolarHBondContact OG-ND1 3.34Å
81V98.4Very high94.5Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-97123.5165.9171.70000107.3I83 L163 F201 I204 V205 L208 L214 A216 V217 H218V81-I83 HydrophobicContact CG1-CG2 4.24Å; V81-L163 HydrophobicContact CG1-CD2 3.25Å; V81-F201 HydrophobicContact CG1-CD2 4.44Å; V81-F201 HydrophobicContact CG1-CE2 4.41Å; V81-I204 HydrophobicContact CG1-CG2 4.43Å; V81-I204 HydrophobicContact CG2-CG2 3.7Å; V81-V205 HydrophobicContact CG1-CG2 4.39Å; V81-V205 HydrophobicContact CG2-CG2 4.42Å; V81-L208 HydrophobicContact CG2-CD1 3.62Å; V81-L214 HydrophobicContact CB-CD1 4.24Å; V81-L214 HydrophobicContact CG2-CD1 3.77Å; V81-A216 PolarHBondContact N-O 2.85Å; V81-A216 VanDerWaalsContact N-O 3.17Å; V81-V217 HydrophobicContact CB-CG2 4.18Å; V81-V217 CarbonylContact O-C 3.54Å; V81-V217 VanDerWaalsContact O-CA 3.29Å; V81-V217 WeakPolarHBondContact O-CA 3.43Å; V81-H218 PolarHBondContact O-N 2.74Å
82I98.6Very high94.7Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-101.2119.4178.5-56172.9000108.3F74 L95 L99 Q160 L161 L162 L163 H218 I220F74-I82 HydrophobicContact CE1-CD1 3.77Å; F74-I82 HydrophobicContact CE1-CG1 4.13Å; F74-I82 HydrophobicContact CZ-CD1 4.24Å; I82-L95 HydrophobicContact CG2-CD2 4.27Å; I82-L99 HydrophobicContact CD1-CD2 4.25Å; I82-Q160 HydrophobicContact CD1-CB 4.08Å; I82-L161 PolarHBondContact N-O 3.41Å; I82-L162 HydrophobicContact CB-CD1 4.14Å; I82-L162 HydrophobicContact CG2-CD1 3.79Å; I82-L162 WeakPolarHBondContact O-CA 3.47Å; I82-L163 WeakPolarHBondContact O-CD2 3.07Å; I82-L163 PolarHBondContact O-N 3.4Å; I82-H218 WeakPolarHBondContact CA-O 3.32Å; I82-H218 HydrophobicContact CG1-CB 4.26Å; I82-I220 HydrophobicContact CG2-CD1 3.43Å; I82-I220 VanDerWaalsContact CG2-CD1 3.43Å; I82-I220 HydrophobicContact CG2-CG1 4.04Å
83I98.5Very high95Very high0 Ų022.7 Ų22.70%011%0.11CC..EExtended strand (participates in β ladder)trans-109.2129173.661.4-176000109.5V81 L163 P165 F201 V217 H218 D219 I220 W266 W271V81-I83 HydrophobicContact CG1-CG2 4.24Å; I83-L163 HydrophobicContact CG2-CD1 4.4Å; I83-L163 HydrophobicContact CG2-CD2 3.77Å; I83-L163 HydrophobicContact CG2-CG 3.98Å; I83-P165 HydrophobicContact CB-CG 4.27Å; I83-P165 HydrophobicContact CG2-CG 4.08Å; I83-F201 HydrophobicContact CD1-CE2 4.3Å; I83-F201 HydrophobicContact CG2-CD2 3.62Å; I83-F201 HydrophobicContact CG2-CE2 3.73Å; I83-V217 HydrophobicContact CD1-CG1 3.81Å; I83-V217 HydrophobicContact CG1-CG1 4.06Å; I83-H218 PolarHBondContact N-O 2.78Å; I83-D219 HydrophobicContact CD1-CB 4.14Å; I83-D219 HydrophobicContact CG1-CB 4.02Å; I83-D219 WeakPolarHBondContact CG1-OD1 3.24Å; I83-I220 PolarHBondContact O-N 3.4Å; I83-W266 HydrophobicContact CD1-CH2 3.95Å; I83-W266 HydrophobicContact CD1-CZ3 3.7Å; I83-W271 HydrophobicContact CB-CH2 4.19Å; I83-W271 HydrophobicContact CB-CZ3 4.4Å; I83-W271 HydrophobicContact CD1-CZ3 4.14Å; I83-W271 HydrophobicContact CG1-CZ3 4.48Å
84M98.3Very high95.6Very high0 Ų022.6 Ų22.60%011%0.109CC..EExtended strand (participates in β ladder)trans-133.2146.2-179-165.5164.163.400110.8D91 L95 L162 L163 F164 I220 V222 F246M84-D91 HydrophobicContact CE-CB 3.78Å; M84-L95 HydrophobicContact CE-CB 4.13Å; M84-L95 HydrophobicContact CE-CD2 4.4Å; M84-L95 HydrophobicContact SD-CD1 4.08Å; M84-L162 HydrophobicContact CB-CD1 4.23Å; M84-L163 PolarHBondContact N-O 3.46Å; M84-F164 HydrophobicContact CB-CD1 4.21Å; M84-F164 HydrophobicContact CB-CE1 3.9Å; M84-F164 HydrophobicContact CE-CE1 3.44Å; M84-F164 VanDerWaalsContact CE-CE1 3.44Å; M84-F164 HydrophobicContact CE-CZ 3.54Å; M84-F164 HydrophobicContact CG-CE1 4.28Å; M84-F164 VanDerWaalsContact O-CD1 3.31Å; M84-F164 WeakPolarHBondContact O-CD1 3.31Å; M84-I220 WeakPolarHBondContact CA-O 3.46Å; M84-I220 HydrophobicContact CB-CB 4.22Å; M84-I220 HydrophobicContact CG-CB 3.94Å; M84-I220 HydrophobicContact CG-CG2 3.97Å; M84-I220 HydrophobicContact SD-CB 4.17Å; M84-I220 HydrophobicContact SD-CG2 3.73Å; M84-V222 HydrophobicContact CG-CB 4.34Å; M84-V222 HydrophobicContact CG-CG1 4.03Å; M84-V222 HydrophobicContact SD-CB 4.04Å; M84-V222 HydrophobicContact SD-CG1 4.13Å; M84-F246 HydrophobicContact SD-CD1 4.3Å; M84-F246 HydrophobicContact SD-CE1 4.02Å
85N98.3Very high95.9Very high1 Ų121.9 Ų21.91%0.00511%0.106CC..  trans-67.8149.4167.362.7-61.2000109.7E166 V193 I220 T221 V222 K274N85-E166 WeakPolarHBondContact CA-OE1 3.38Å; N85-E166 VanDerWaalsContact CB-OE1 3.23Å; N85-E166 WeakPolarHBondContact CB-OE1 3.32Å; N85-V193 HydrophobicContact CB-CG1 3.81Å; N85-I220 PolarHBondContact N-O 3.16Å; N85-I220 PolarHBondContact OD1-O 3.3Å; N85-T221 VanDerWaalsContact OD1-CA 3.27Å; N85-T221 WeakPolarHBondContact OD1-CA 3.16Å; N85-V222 PolarHBondContact ND2-O 2.89Å; N85-V222 WeakPolarHBondContact O-CG1 3.28Å; N85-V222 PolarHBondContact OD1-N 3.01Å; N85-K274 HydrophobicContact CB-CD 4.04Å
86H96.9Very high96.2Very high23 Ų2318 Ų1811%0.1069%0.086CC..  trans-11080.4-173.7-157.412.6000111.2T88 D91 F164 E166 D169 L170H86-T88 PolarHBondContact CE1-O 3.3Å; H86-T88 PolarHBondContact ND1-O 3.11Å; H86-D91 VanDerWaalsContact C-OD2 3.26Å; H86-D91 WeakPolarHBondContact CA-OD2 3.27Å; H86-D91 IonicContact CE1-OD2 2.66Å; H86-D91 IonicContact ND1-OD2 2.8Å; H86-D91 PolarHBondContact ND1-OD2 3.01Å; H86-F164 HydrophobicContact CB-CB 4.09Å; H86-F164 HydrophobicContact CB-CD1 3.5Å; H86-F164 VanDerWaalsContact CB-CD1 3.5Å; H86-F164 HydrophobicContact CB-CE1 4.17Å; H86-F164 HydrophobicContact CB-CG 4Å; H86-F164 AromaticContact CG-CD1 3.59Å; H86-F164 AromaticContact CG-CE1 3.99Å; H86-F164 AromaticContact CG-CG 3.86Å; H86-F164 AromaticContact ND1-CD1 3.81Å; H86-F164 AromaticContact ND1-CE1 3.7Å; H86-E166 HydrophobicContact CB-CB 4.46Å; H86-E166 PolarHBondContact N-OE1 3.42Å; H86-D169 PolarHBondContact CD2-N 3.41Å; H86-D169 VanDerWaalsContact CD2-N 3.3Å; H86-D169 CarbonylContact O-C 3.59Å; H86-D169 VanDerWaalsContact O-CA 3.24Å; H86-D169 WeakPolarHBondContact O-CA 3.48Å; H86-L170 PolarHBondContact O-N 2.97Å
87R96.9Very high96.6Very high55 Ų5515.5 Ų15.521%0.2087%0.07CC..SBendtrans-75.1-37.1-179.9-177.363-165.293.4-6.8112.8D91 L170 Y224 I228 Q230R87-D91 PolarHBondContact N-OD2 2.65Å; R87-L170 PolarHBondContact NH1-O 3.48Å; R87-Y224 HydrophobicContact CB-CD2 4.46Å; R87-Y224 HydrophobicContact CB-CE2 3.99Å; R87-Y224 HydrophobicContact CG-CD2 3.97Å; R87-Y224 HydrophobicContact CG-CE2 3.94Å; R87-I228 HydrophobicContact CG-CG2 4.04Å; R87-Q230 PolarHBondContact O-NE2 3.22Å
88T96.4Very high96.8Very high0 Ų014.2 Ų14.20%06%0.056CC..SBendtrans-138.3157.1-176.878.90000111.7H86 L90 D91 Y224 I228 P229H86-T88 PolarHBondContact CE1-O 3.3Å; H86-T88 PolarHBondContact ND1-O 3.11Å; T88-L90 PolarHBondContact O-N 2.88Å; T88-L90 PolarHBondContact OG1-N 3.4Å; T88-D91 WeakPolarHBondContact CB-OD1 3.38Å; T88-D91 VanDerWaalsContact N-CG 3.34Å; T88-D91 PolarHBondContact N-OD1 2.97Å; T88-D91 PolarHBondContact N-OD2 3.45Å; T88-D91 PolarHBondContact O-N 3.45Å; T88-D91 PolarHBondContact OG1-N 2.81Å; T88-D91 PolarHBondContact OG1-OD1 3.4Å; T88-Y224 HydrophobicContact CG2-CE2 3.88Å; T88-I228 HydrophobicContact CG2-CG2 3.46Å; T88-I228 VanDerWaalsContact CG2-CG2 3.46Å; T88-P229 WeakPolarHBondContact CB-O 3.24Å; T88-P229 WeakPolarHBondContact CG2-O 3.29Å
89R95Very high96.9Very high98 Ų9813.5 Ų13.537%0.375%0.053SC..THydrogen-bonded Turntrans-63.6-7.1175-63.4-161.9-76.7124.9-5114.5W92 D169 Q230 E232R89-W92 VanDerWaalsContact O-CD1 3.25Å; R89-W92 PolarHBondContact O-NE1 3.49Å; R89-D169 HydrophobicContact CG-CB 4.19Å; R89-D169 VanDerWaalsContact CG-CG 3.44Å; R89-D169 VanDerWaalsContact CG-OD2 3.23Å; R89-D169 WeakPolarHBondContact CG-OD2 3.33Å; R89-Q230 PolarHBondContact N-O 2.66Å; R89-Q230 VanDerWaalsContact N-O 3.1Å; R89-E232 IonicContact CZ-OE2 3.09Å; R89-E232 IonicContact NH1-OE1 3.29Å; R89-E232 PolarHBondContact NH1-OE1 2.94Å; R89-E232 IonicContact NH1-OE2 2.68Å; R89-E232 PolarHBondContact NH1-OE2 3.47Å; R89-E232 IonicContact NH2-OE2 3.08Å; R89-E232 PolarHBondContact NH2-OE2 2.75Å; R89-E232 VanDerWaalsContact NH2-OE2 3.08Å
90L95.9Very high96.8Very high4 Ų411.5 Ų11.52%0.0215%0.046CC..THydrogen-bonded Turntrans-106.1-3.5-175-59.3170.8000113T88 W92 M93 F94 P229 E232 L235T88-L90 PolarHBondContact O-N 2.88Å; T88-L90 PolarHBondContact OG1-N 3.4Å; L90-W92 PolarHBondContact O-N 3.26Å; L90-W92 VanDerWaalsContact O-N 3.16Å; L90-M93 HydrophobicContact CD2-CE 4.42Å; L90-M93 WeakPolarHBondContact O-CB 3.49Å; L90-M93 PolarHBondContact O-N 2.72Å; L90-F94 HydrophobicContact CB-CD2 4Å; L90-F94 HydrophobicContact CB-CE1 4.36Å; L90-F94 HydrophobicContact CB-CE2 3.41Å; L90-F94 VanDerWaalsContact CB-CE2 3.41Å; L90-F94 HydrophobicContact CB-CZ 3.62Å; L90-F94 HydrophobicContact CD1-CE2 4.25Å; L90-F94 HydrophobicContact CD1-CZ 3.88Å; L90-F94 HydrophobicContact CG-CE2 4.49Å; L90-F94 HydrophobicContact CG-CZ 4.4Å; L90-F94 WeakPolarHBondContact O-CD2 3.31Å; L90-F94 PolarHBondContact O-N 2.85Å; L90-F94 VanDerWaalsContact O-N 3.13Å; L90-P229 HydrophobicContact CD1-CB 4.15Å; L90-P229 HydrophobicContact CD1-CG 4.35Å; L90-E232 HydrophobicContact CD2-CG 3.99Å; L90-L235 HydrophobicContact CD1-CD1 3.7Å; L90-L235 HydrophobicContact CD1-CD2 3.85Å; L90-L235 HydrophobicContact CD1-CG 3.65Å; L90-L235 HydrophobicContact CD2-CD1 3.98Å; L90-L235 HydrophobicContact CG-CD1 4.48Å
91D97.4Very high96.6Very high0 Ų012.3 Ų12.30%05%0.049CC..Hα-helixtrans-57.7-35.2-172.2-60.2-27.9000113.2M84 H86 R87 T88 M93 F94 L95 F164 Y224M84-D91 HydrophobicContact CE-CB 3.78Å; H86-D91 VanDerWaalsContact C-OD2 3.26Å; H86-D91 WeakPolarHBondContact CA-OD2 3.27Å; H86-D91 IonicContact CE1-OD2 2.66Å; H86-D91 IonicContact ND1-OD2 2.8Å; H86-D91 PolarHBondContact ND1-OD2 3.01Å; R87-D91 PolarHBondContact N-OD2 2.65Å; T88-D91 WeakPolarHBondContact CB-OD1 3.38Å; T88-D91 VanDerWaalsContact N-CG 3.34Å; T88-D91 PolarHBondContact N-OD1 2.97Å; T88-D91 PolarHBondContact N-OD2 3.45Å; T88-D91 PolarHBondContact O-N 3.45Å; T88-D91 PolarHBondContact OG1-N 2.81Å; T88-D91 PolarHBondContact OG1-OD1 3.4Å; D91-M93 VanDerWaalsContact C-N 3.34Å; D91-M93 PolarHBondContact O-N 3.41Å; D91-F94 PolarHBondContact O-N 2.78Å; D91-L95 PolarHBondContact O-N 2.9Å; D91-F164 HydrophobicContact CB-CE1 4.07Å; D91-F164 HydrophobicContact CB-CZ 4.1Å; D91-Y224 PolarHBondContact OD1-OH 2.63Å
92W95.3Very high96.3Very high43 Ų4312.9 Ų12.916%0.1635%0.051CC..Hα-helixtrans-59.3-43.1176.257.5-89.3000112R89 L90 L95 W96 I110 L162 F164R89-W92 VanDerWaalsContact O-CD1 3.25Å; R89-W92 PolarHBondContact O-NE1 3.49Å; L90-W92 PolarHBondContact O-N 3.26Å; L90-W92 VanDerWaalsContact O-N 3.16Å; W92-L95 WeakPolarHBondContact O-CB 3.46Å; W92-L95 PolarHBondContact O-N 2.82Å; W92-W96 AromaticContact CE3-CH2 3.74Å; W92-W96 HydrophobicContact CE3-CH2 3.74Å; W92-W96 AromaticContact CE3-CZ2 3.56Å; W92-W96 HydrophobicContact CE3-CZ2 3.56Å; W92-W96 HydrophobicContact CE3-CZ3 4.44Å; W92-W96 HydrophobicContact CH2-CH2 4.41Å; W92-W96 AromaticContact CZ3-CH2 3.28Å; W92-W96 HydrophobicContact CZ3-CH2 3.28Å; W92-W96 AromaticContact CZ3-CZ2 3.62Å; W92-W96 HydrophobicContact CZ3-CZ2 3.62Å; W92-W96 AromaticContact CZ3-CZ3 3.92Å; W92-W96 HydrophobicContact CZ3-CZ3 3.92Å; W92-W96 PolarHBondContact O-NE1 3.24Å; W92-I110 HydrophobicContact CB-CD1 4.26Å; W92-I110 HydrophobicContact CE3-CD1 4.42Å; W92-L162 HydrophobicContact CB-CD2 3.98Å; W92-F164 HydrophobicContact CB-CE2 4.16Å; W92-F164 HydrophobicContact CB-CZ 4.24Å
93M96.5Very high96Very high6 Ų613 Ų133%0.035%0.051CC..Hα-helixtrans-70.3-36.2177.6-177.4-179.86600110.9F10 L14 P55 L59 L90 D91 L95 W96 L235F10-M93 HydrophobicContact CE1-CE 4.07Å; F10-M93 HydrophobicContact CE1-SD 4.4Å; F10-M93 HydrophobicContact CZ-CE 3.87Å; F10-M93 HydrophobicContact CZ-SD 4.13Å; L14-M93 HydrophobicContact CD1-SD 3.91Å; P55-M93 HydrophobicContact CB-CG 3.91Å; P55-M93 HydrophobicContact CB-SD 3.89Å; L59-M93 HydrophobicContact CD1-CE 4.45Å; L90-M93 HydrophobicContact CD2-CE 4.42Å; L90-M93 WeakPolarHBondContact O-CB 3.49Å; L90-M93 PolarHBondContact O-N 2.72Å; D91-M93 VanDerWaalsContact C-N 3.34Å; D91-M93 PolarHBondContact O-N 3.41Å; M93-L95 VanDerWaalsContact C-N 3.33Å; M93-W96 HydrophobicContact CB-CE3 4.2Å; M93-W96 HydrophobicContact CB-CZ3 4.23Å; M93-W96 HydrophobicContact CG-CE3 3.67Å; M93-W96 HydrophobicContact CG-CZ3 3.72Å; M93-W96 WeakPolarHBondContact O-CB 3.5Å; M93-W96 PolarHBondContact O-N 2.97Å; M93-L235 HydrophobicContact CE-CD1 4.03Å
94F97.4Very high95.8Very high0 Ų016.9 Ų16.90%07%0.067CC..Hα-helixtrans-69.7-31.2178.7-62-34.2000112.7L59 L90 D91 W96 C97 Y224 P229 P241 I244 F246L59-F94 HydrophobicContact CD1-CD1 3.72Å; L59-F94 HydrophobicContact CD1-CE1 3.99Å; L59-F94 HydrophobicContact CD2-CE1 3.97Å; L90-F94 HydrophobicContact CB-CD2 4Å; L90-F94 HydrophobicContact CB-CE1 4.36Å; L90-F94 HydrophobicContact CB-CE2 3.41Å; L90-F94 VanDerWaalsContact CB-CE2 3.41Å; L90-F94 HydrophobicContact CB-CZ 3.62Å; L90-F94 HydrophobicContact CD1-CE2 4.25Å; L90-F94 HydrophobicContact CD1-CZ 3.88Å; L90-F94 HydrophobicContact CG-CE2 4.49Å; L90-F94 HydrophobicContact CG-CZ 4.4Å; L90-F94 WeakPolarHBondContact O-CD2 3.31Å; L90-F94 PolarHBondContact O-N 2.85Å; L90-F94 VanDerWaalsContact O-N 3.13Å; D91-F94 PolarHBondContact O-N 2.78Å; F94-W96 PolarHBondContact O-N 3.05Å; F94-W96 VanDerWaalsContact O-N 3.17Å; F94-C97 WeakPolarHBondContact O-CB 3.39Å; F94-C97 PolarHBondContact O-N 3.41Å; F94-C97 PolarHBondContact O-SG 2.83Å; F94-Y224 HydrophobicContact CD2-CE1 4.06Å; F94-Y224 WeakPolarHBondContact CD2-OH 3.37Å; F94-Y224 HydrophobicContact CE2-CE1 4.16Å; F94-P229 HydrophobicContact CE2-CG 3.89Å; F94-P229 HydrophobicContact CZ-CG 3.85Å; F94-P241 HydrophobicContact CE1-CG 3.96Å; F94-P241 HydrophobicContact CE2-CG 4.19Å; F94-P241 HydrophobicContact CZ-CG 3.71Å; F94-I244 HydrophobicContact CB-CD1 3.75Å; F94-I244 HydrophobicContact CD1-CD1 3.78Å; F94-I244 HydrophobicContact CD2-CD1 4.07Å; F94-I244 HydrophobicContact CE1-CD1 4.38Å; F94-I244 HydrophobicContact CG-CD1 3.6Å; F94-F246 HydrophobicContact CB-CZ 4.25Å; F94-F246 WeakPolarHBondContact O-CZ 3.32Å
95L97.5Very high95.7Very high0 Ų017.4 Ų17.40%07%0.069CC..Hα-helixtrans-57.1-29.2174.3-177.463.8000112.3I82 M84 D91 W92 M93 C97 C98 L99 L162 I220 F246I82-L95 HydrophobicContact CG2-CD2 4.27Å; M84-L95 HydrophobicContact CE-CB 4.13Å; M84-L95 HydrophobicContact CE-CD2 4.4Å; M84-L95 HydrophobicContact SD-CD1 4.08Å; D91-L95 PolarHBondContact O-N 2.9Å; W92-L95 WeakPolarHBondContact O-CB 3.46Å; W92-L95 PolarHBondContact O-N 2.82Å; M93-L95 VanDerWaalsContact C-N 3.33Å; L95-C97 PolarHBondContact O-N 2.87Å; L95-C98 HydrophobicContact CD1-CB 4.17Å; L95-C98 WeakPolarHBondContact O-CA 3.47Å; L95-C98 WeakPolarHBondContact O-CB 3.49Å; L95-C98 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CD2-CD1 4.12Å; L95-L99 HydrophobicContact CG-CD1 4Å; L95-L99 HydrophobicContact CG-CG 4.13Å; L95-L99 PolarHBondContact O-N 3.4Å; L95-L162 HydrophobicContact CD2-CD1 3.78Å; L95-L162 HydrophobicContact CD2-CD2 3.77Å; L95-L162 HydrophobicContact CD2-CG 4.26Å; L95-I220 HydrophobicContact CD1-CD1 3.61Å; L95-F246 HydrophobicContact CD1-CD1 4.47Å; L95-F246 HydrophobicContact CD1-CE1 4.25Å
96W97.8Very high95.6Very high2 Ų221 Ų211%0.0088%0.083CC..Hα-helixtrans-60.3-27.9177-57.2-21.2000113.1W51 L52 P55 V56 W92 M93 F94 C98 L99 L100 L105 E108 I110W51-W96 HydrophobicContact CH2-CZ3 4.42Å; W51-W96 AromaticContact CZ3-CH2 3.84Å; W51-W96 HydrophobicContact CZ3-CH2 3.84Å; W51-W96 AromaticContact CZ3-CZ3 3.91Å; W51-W96 HydrophobicContact CZ3-CZ3 3.91Å; L52-W96 HydrophobicContact CD2-CD2 4.12Å; L52-W96 HydrophobicContact CD2-CE3 4.13Å; L52-W96 HydrophobicContact CD2-CH2 3.25Å; L52-W96 HydrophobicContact CD2-CZ2 3.34Å; L52-W96 HydrophobicContact CD2-CZ3 3.74Å; P55-W96 HydrophobicContact CB-CE3 4.16Å; P55-W96 HydrophobicContact CB-CZ3 4.28Å; P55-W96 HydrophobicContact CG-CE3 3.8Å; P55-W96 HydrophobicContact CG-CZ3 3.59Å; V56-W96 HydrophobicContact CG2-CB 3.53Å; W92-W96 AromaticContact CE3-CH2 3.74Å; W92-W96 HydrophobicContact CE3-CH2 3.74Å; W92-W96 AromaticContact CE3-CZ2 3.56Å; W92-W96 HydrophobicContact CE3-CZ2 3.56Å; W92-W96 HydrophobicContact CE3-CZ3 4.44Å; W92-W96 HydrophobicContact CH2-CH2 4.41Å; W92-W96 AromaticContact CZ3-CH2 3.28Å; W92-W96 HydrophobicContact CZ3-CH2 3.28Å; W92-W96 AromaticContact CZ3-CZ2 3.62Å; W92-W96 HydrophobicContact CZ3-CZ2 3.62Å; W92-W96 AromaticContact CZ3-CZ3 3.92Å; W92-W96 HydrophobicContact CZ3-CZ3 3.92Å; W92-W96 PolarHBondContact O-NE1 3.24Å; M93-W96 HydrophobicContact CB-CE3 4.2Å; M93-W96 HydrophobicContact CB-CZ3 4.23Å; M93-W96 HydrophobicContact CG-CE3 3.67Å; M93-W96 HydrophobicContact CG-CZ3 3.72Å; M93-W96 WeakPolarHBondContact O-CB 3.5Å; M93-W96 PolarHBondContact O-N 2.97Å; F94-W96 PolarHBondContact O-N 3.05Å; F94-W96 VanDerWaalsContact O-N 3.17Å; W96-C98 PolarHBondContact O-N 2.91Å; W96-L99 PolarHBondContact O-N 2.93Å; W96-L100 VanDerWaalsContact O-CB 3.3Å; W96-L100 WeakPolarHBondContact O-CB 3.34Å; W96-L100 PolarHBondContact O-N 3.44Å; W96-L105 HydrophobicContact CB-CD2 3.78Å; W96-L105 HydrophobicContact CG-CD2 4.06Å; W96-E108 VanDerWaalsContact NE1-CD 3.29Å; W96-E108 PolarHBondContact NE1-OE1 3.49Å; W96-E108 VanDerWaalsContact NE1-OE1 3.12Å; W96-E108 PolarHBondContact NE1-OE2 2.91Å; W96-I110 HydrophobicContact CZ2-CD1 4.21Å
97C96Very high95.6Very high0 Ų020.4 Ų20.40%08%0.081CC..Hα-helixtrans-66.2-31.4173.7-520000111.7V56 V67 F94 L95 R101V56-C97 HydrophobicContact CG1-CB 4.25Å; V67-C97 HydrophobicContact CG1-CB 4.21Å; V67-C97 HydrophobicContact CG2-CB 3.78Å; F94-C97 WeakPolarHBondContact O-CB 3.39Å; F94-C97 PolarHBondContact O-N 3.41Å; F94-C97 PolarHBondContact O-SG 2.83Å; L95-C97 PolarHBondContact O-N 2.87Å; C97-R101 PolarHBondContact O-NH1 2.8Å
98C94.9Very high95.6Very high0 Ų017.9 Ų17.90%07%0.071CC..Hα-helixtrans-74.5-52.5172.1-174.20000111.1I69 L95 W96 L100 R101 Y102 F246I69-C98 HydrophobicContact CD1-CB 3.99Å; I69-C98 HydrophobicContact CG1-CB 4.39Å; L95-C98 HydrophobicContact CD1-CB 4.17Å; L95-C98 WeakPolarHBondContact O-CA 3.47Å; L95-C98 WeakPolarHBondContact O-CB 3.49Å; L95-C98 PolarHBondContact O-N 2.88Å; W96-C98 PolarHBondContact O-N 2.91Å; C98-L100 VanDerWaalsContact C-N 3.31Å; C98-L100 PolarHBondContact O-N 3.29Å; C98-R101 PolarHBondContact O-N 2.9Å; C98-Y102 WeakPolarHBondContact O-CD2 3.16Å; C98-Y102 PolarHBondContact O-N 3.16Å; C98-Y102 VanDerWaalsContact O-N 3.09Å; C98-F246 HydrophobicContact CB-CD2 4.05Å; C98-F246 HydrophobicContact CB-CE2 4.24Å; C98-F246 HydrophobicContact CB-CG 4.33Å
99L95.6Very high95.6Very high0 Ų018.3 Ų18.30%07%0.073CC..Hα-helixtrans-64.7-31.5-175.9-65.4175.3000113.2F74 I82 L95 W96 R101 Y102 S103 L105 E108F74-L99 HydrophobicContact CD1-CD2 4.2Å; F74-L99 HydrophobicContact CD2-CD2 4.46Å; F74-L99 HydrophobicContact CE1-CD2 3.66Å; F74-L99 HydrophobicContact CE2-CD2 3.95Å; F74-L99 HydrophobicContact CZ-CD2 3.48Å; F74-L99 VanDerWaalsContact CZ-CD2 3.48Å; I82-L99 HydrophobicContact CD1-CD2 4.25Å; L95-L99 HydrophobicContact CD2-CD1 4.12Å; L95-L99 HydrophobicContact CG-CD1 4Å; L95-L99 HydrophobicContact CG-CG 4.13Å; L95-L99 PolarHBondContact O-N 3.4Å; W96-L99 PolarHBondContact O-N 2.93Å; L99-R101 PolarHBondContact O-N 2.97Å; L99-Y102 PolarHBondContact O-N 2.97Å; L99-S103 CarbonylContact O-C 3.56Å; L99-S103 WeakPolarHBondContact O-CA 3.37Å; L99-S103 PolarHBondContact O-N 3.02Å; L99-L105 HydrophobicContact CB-CD2 3.78Å; L99-E108 HydrophobicContact CD1-CB 4.33Å; L99-E108 HydrophobicContact CD1-CG 4.06Å; L99-E108 WeakPolarHBondContact CD1-OE2 3.45Å
100L95.2Very high95.7Very high9 Ų913.7 Ų13.75%0.0476%0.055CC..Hα-helixtrans-57.2-37.1174-177.161.1000112T53 V56 W96 C98 L105 K301 V306 I309 K310T53-L100 HydrophobicContact CG2-CD1 3.99Å; V56-L100 HydrophobicContact CB-CD2 4.22Å; V56-L100 HydrophobicContact CG1-CB 4.46Å; V56-L100 HydrophobicContact CG1-CD2 3.54Å; W96-L100 VanDerWaalsContact O-CB 3.3Å; W96-L100 WeakPolarHBondContact O-CB 3.34Å; W96-L100 PolarHBondContact O-N 3.44Å; C98-L100 VanDerWaalsContact C-N 3.31Å; C98-L100 PolarHBondContact O-N 3.29Å; L100-L105 HydrophobicContact CB-CD1 4.36Å; L100-L105 HydrophobicContact CD1-CD1 3.99Å; L100-K301 WeakPolarHBondContact O-CD 3.35Å; L100-K301 WeakPolarHBondContact O-CE 3.44Å; L100-K301 PolarHBondContact O-NZ 3.41Å; L100-V306 HydrophobicContact CD2-CG1 4.13Å; L100-V306 HydrophobicContact CG-CG1 4.4Å; L100-I309 HydrophobicContact CD1-CG2 4.06Å; L100-K310 HydrophobicContact CD2-CD 4.41Å; L100-K310 HydrophobicContact CD2-CG 3.88Å
101R92.8Very high95.7Very high17 Ų1714.4 Ų14.46%0.0646%0.061CC..Hα-helixtrans-84.1-39.6-178.5-72177.6174.676.10.9113.6E60 C97 C98 L99 P299 C300 K301 E303 V306E60-R101 IonicContact OE1-CZ 2.7Å; E60-R101 IonicContact OE1-NH1 3.95Å; E60-R101 PolarHBondContact OE1-NH1 3.43Å; E60-R101 IonicContact OE1-NH2 3.66Å; E60-R101 PolarHBondContact OE1-NH2 2.82Å; E60-R101 IonicContact OE2-CZ 3.32Å; E60-R101 IonicContact OE2-NH1 3.97Å; E60-R101 PolarHBondContact OE2-NH1 2.94Å; E60-R101 IonicContact OE2-NH2 3.15Å; E60-R101 PolarHBondContact OE2-NH2 3.36Å; C97-R101 PolarHBondContact O-NH1 2.8Å; C98-R101 PolarHBondContact O-N 2.9Å; L99-R101 PolarHBondContact O-N 2.97Å; R101-P299 HydrophobicContact CB-CB 4.42Å; R101-C300 PolarHBondContact O-N 3.26Å; R101-C300 PolarHBondContact O-SG 2.94Å; R101-K301 PolarHBondContact O-N 3.32Å; R101-E303 IonicContact NE-OE1 2.97Å; R101-E303 IonicContact NE-OE2 2.67Å; R101-E303 IonicContact NH2-OE2 2.68Å; R101-V306 HydrophobicContact CG-CG1 4.08Å; R101-V306 HydrophobicContact CG-CG2 3.99Å
102Y90.8Very high95.5Very high13 Ų1315.1 Ų15.15%0.0517%0.065CC..Hα-helixtrans-110.2-14.8-167.7-68.6-89.8000114.4I69 C98 L99 V297 P298 P299 C300I69-Y102 HydrophobicContact CB-CE2 3.9Å; I69-Y102 HydrophobicContact CD1-CD2 3.8Å; I69-Y102 HydrophobicContact CD1-CE2 3.39Å; I69-Y102 HydrophobicContact CG1-CE2 4.2Å; I69-Y102 HydrophobicContact CG2-CD2 4.16Å; I69-Y102 HydrophobicContact CG2-CE2 3.73Å; C98-Y102 WeakPolarHBondContact O-CD2 3.16Å; C98-Y102 PolarHBondContact O-N 3.16Å; C98-Y102 VanDerWaalsContact O-N 3.09Å; L99-Y102 PolarHBondContact O-N 2.97Å; Y102-V297 HydrophobicContact CD1-CG1 4.25Å; Y102-V297 HydrophobicContact CE1-CB 3.61Å; Y102-V297 HydrophobicContact CE1-CG1 3.61Å; Y102-V297 PolarHBondContact OH-O 3.13Å; Y102-P298 WeakPolarHBondContact CE1-O 3.41Å; Y102-P299 VanDerWaalsContact CE1-CA 3.44Å; Y102-P299 HydrophobicContact CE1-CB 4.19Å; Y102-P299 HydrophobicContact CE2-CB 4.27Å; Y102-C300 VanDerWaalsContact CA-SG 3.53Å; Y102-C300 PolarHBondContact O-SG 2.91Å
103S93.8Very high95.5Very high1 Ų118.3 Ų18.31%0.0078%0.079CC..SBendtrans-143.8-159.8-177-166.50000112.1L99 Q160 K301L99-S103 CarbonylContact O-C 3.56Å; L99-S103 WeakPolarHBondContact O-CA 3.37Å; L99-S103 PolarHBondContact O-N 3.02Å; S103-Q160 PolarHBondContact OG-NE2 3.05Å; S103-Q160 PolarHBondContact OG-OE1 3.25Å; S103-K301 PolarHBondContact O-NZ 3.05Å
104Y94.3Very high95.3Very high83 Ų8319.5 Ų19.533%0.3259%0.091SC..  trans-119.4116.8175.1-57.3-67.7000109.8P76 R106 L107P76-Y104 HydrophobicContact CB-CD2 4.47Å; P76-Y104 HydrophobicContact CB-CE2 3.74Å; Y104-R106 VanDerWaalsContact CD1-NH1 3.28Å; Y104-R106 VanDerWaalsContact CG-NH1 3.31Å; Y104-R106 PolarHBondContact O-N 3.02Å; Y104-L107 HydrophobicContact CD2-CD1 3.94Å; Y104-L107 PolarHBondContact O-N 3.27Å
105L95.9Very high95.1Very high10 Ų1022.5 Ų22.55%0.05212%0.115CC..G310 helixtrans-54.8-27.4179.4-68.2170.4000113.6A49 L52 T53 W96 L99 L100 L107 E108A49-L105 HydrophobicContact CB-CB 4.37Å; L52-L105 HydrophobicContact CB-CB 4.2Å; L52-L105 HydrophobicContact CB-CD1 3.95Å; L52-L105 HydrophobicContact CB-CG 4.46Å; L52-L105 HydrophobicContact CD1-CB 4.05Å; T53-L105 HydrophobicContact CG2-CD1 3.7Å; W96-L105 HydrophobicContact CB-CD2 3.78Å; W96-L105 HydrophobicContact CG-CD2 4.06Å; L99-L105 HydrophobicContact CB-CD2 3.78Å; L100-L105 HydrophobicContact CB-CD1 4.36Å; L100-L105 HydrophobicContact CD1-CD1 3.99Å; L105-L107 PolarHBondContact O-N 3.03Å; L105-E108 PolarHBondContact O-N 2.82Å
106R95.9Very high94.9Very high77 Ų7725.3 Ų25.329%0.29113%0.13SC..G310 helixtrans-63.8-23178.374.4179.7-178.9-83.2-7114.2D45 A49 Y104 E108D45-R106 HydrophobicContact CB-CB 4.37Å; D45-R106 WeakPolarHBondContact O-CB 3.25Å; A49-R106 HydrophobicContact CB-CB 3.7Å; Y104-R106 VanDerWaalsContact CD1-NH1 3.28Å; Y104-R106 VanDerWaalsContact CG-NH1 3.31Å; Y104-R106 PolarHBondContact O-N 3.02Å; R106-E108 VanDerWaalsContact C-N 3.35Å
107L96Very high94.7Very high11 Ų1126 Ų266%0.05813%0.133CC..G310 helixtrans-85.9-14.4-177.5-52.4179.6000112.1Y104 L105 K109 P158 Q160Y104-L107 HydrophobicContact CD2-CD1 3.94Å; Y104-L107 PolarHBondContact O-N 3.27Å; L105-L107 PolarHBondContact O-N 3.03Å; L107-K109 PolarHBondContact O-N 3.48Å; L107-P158 HydrophobicContact CD1-CB 4.17Å; L107-P158 HydrophobicContact CD2-CB 4.11Å; L107-P158 WeakPolarHBondContact CD2-O 3.43Å; L107-Q160 HydrophobicContact CB-CB 4.36Å; L107-Q160 HydrophobicContact CB-CG 4.08Å; L107-Q160 PolarHBondContact O-N 3.22Å
108E96.9Very high94.6Very high2 Ų228.8 Ų28.81%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-74.6130.4-173.3-171.4177.5-179.500111.2W96 L99 L105 R106 I110 F131 Q160W96-E108 VanDerWaalsContact NE1-CD 3.29Å; W96-E108 PolarHBondContact NE1-OE1 3.49Å; W96-E108 VanDerWaalsContact NE1-OE1 3.12Å; W96-E108 PolarHBondContact NE1-OE2 2.91Å; L99-E108 HydrophobicContact CD1-CB 4.33Å; L99-E108 HydrophobicContact CD1-CG 4.06Å; L99-E108 WeakPolarHBondContact CD1-OE2 3.45Å; L105-E108 PolarHBondContact O-N 2.82Å; R106-E108 VanDerWaalsContact C-N 3.35Å; E108-I110 HydrophobicContact CG-CG1 4.14Å; E108-F131 WeakPolarHBondContact O-CE1 3.48Å; E108-Q160 VanDerWaalsContact CA-O 3.32Å; E108-Q160 WeakPolarHBondContact CA-O 3.34Å
109K97.5Very high94.7Very high9 Ų932.6 Ų32.64%0.03918%0.176CC..EExtended strand (participates in β ladder)trans-126148.8166.3-53.6-62.7171.6-160.10107.8D45 L107 A129 F131 F152 L159 Q160 L161 L162D45-K109 VanDerWaalsContact CG-NZ 3.26Å; D45-K109 IonicContact OD1-NZ 3.53Å; D45-K109 PolarHBondContact OD1-NZ 3.36Å; D45-K109 IonicContact OD2-NZ 3.5Å; D45-K109 PolarHBondContact OD2-NZ 2.9Å; L107-K109 PolarHBondContact O-N 3.48Å; K109-A129 VanDerWaalsContact CD-O 3.23Å; K109-A129 WeakPolarHBondContact CD-O 3.34Å; K109-A129 WeakPolarHBondContact CE-O 3.23Å; K109-A129 PolarHBondContact NZ-O 2.83Å; K109-F131 HydrophobicContact CB-CD1 4.42Å; K109-F131 HydrophobicContact CD-CD1 3.91Å; K109-F131 HydrophobicContact CD-CE1 4.1Å; K109-F152 HydrophobicContact CG-CE1 4.48Å; K109-F152 HydrophobicContact CG-CZ 4.23Å; K109-L159 HydrophobicContact CB-CD1 3.78Å; K109-L159 HydrophobicContact CG-CD1 3.34Å; K109-Q160 PolarHBondContact N-O 3.45Å; K109-L161 HydrophobicContact CB-CD1 3.96Å; K109-L161 CarbonylContact O-C 3.38Å; K109-L161 WeakPolarHBondContact O-CA 3.39Å; K109-L162 PolarHBondContact O-N 3.31Å
110I97.2Very high94.7Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-127.8134.5-174.9-48.2178.6000109.6W92 W96 E108 L112 F131 V132 L162W92-I110 HydrophobicContact CB-CD1 4.26Å; W92-I110 HydrophobicContact CE3-CD1 4.42Å; W96-I110 HydrophobicContact CZ2-CD1 4.21Å; E108-I110 HydrophobicContact CG-CG1 4.14Å; I110-L112 HydrophobicContact CB-CD1 4.36Å; I110-L112 HydrophobicContact CB-CD2 4.18Å; I110-L112 HydrophobicContact CB-CG 3.95Å; I110-L112 HydrophobicContact CG2-CD2 3.49Å; I110-L112 VanDerWaalsContact CG2-CD2 3.49Å; I110-L112 HydrophobicContact CG2-CG 3.74Å; I110-L112 PolarHBondContact O-N 3.05Å; I110-F131 HydrophobicContact CB-CD2 4.19Å; I110-F131 HydrophobicContact CB-CE2 4.16Å; I110-F131 HydrophobicContact CD1-CE2 3.85Å; I110-F131 HydrophobicContact CD1-CZ 4.19Å; I110-F131 HydrophobicContact CG1-CD2 4.43Å; I110-F131 HydrophobicContact CG1-CE2 3.91Å; I110-F131 HydrophobicContact CG1-CZ 4.08Å; I110-V132 PolarHBondContact O-N 3.13Å; I110-V132 VanDerWaalsContact O-N 3.1Å; I110-L162 HydrophobicContact CD1-CD2 4.3Å; I110-L162 HydrophobicContact CG1-CB 4.22Å; I110-L162 HydrophobicContact CG1-CD2 4.27Å; I110-L162 HydrophobicContact CG2-CB 4.22Å; I110-L162 HydrophobicContact CG2-CD2 3.96Å; I110-L162 HydrophobicContact CG2-CG 4.24Å
111C96.2Very high94.7Very high20 Ų2034.9 Ų34.914%0.13519%0.191CC..EExtended strand (participates in β ladder)trans-75.5110.9165.7-71.80000109.7V132 L162 L163C111-V132 CarbonylContact C-O 3.47Å; C111-V132 WeakPolarHBondContact CA-O 3.35Å; C111-L162 PolarHBondContact N-O 3.19Å; C111-L163 HydrophobicContact CB-CB 4.37Å
112L93.3Very high94.9Very high15 Ų1536.2 Ų36.28%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-125.2159.2-170.6-69.4179.1000112.7I110 A114 L116 M126 F131 V132 F133 I134I110-L112 HydrophobicContact CB-CD1 4.36Å; I110-L112 HydrophobicContact CB-CD2 4.18Å; I110-L112 HydrophobicContact CB-CG 3.95Å; I110-L112 HydrophobicContact CG2-CD2 3.49Å; I110-L112 VanDerWaalsContact CG2-CD2 3.49Å; I110-L112 HydrophobicContact CG2-CG 3.74Å; I110-L112 PolarHBondContact O-N 3.05Å; L112-A114 PolarHBondContact O-N 3.25Å; L112-L116 HydrophobicContact CB-CD1 4.24Å; L112-L116 HydrophobicContact CD1-CD1 4.5Å; L112-L116 HydrophobicContact CD2-CD1 4.28Å; L112-M126 HydrophobicContact CD1-CE 4.21Å; L112-M126 HydrophobicContact CD1-CG 4.4Å; L112-M126 HydrophobicContact CD1-SD 3.72Å; L112-F131 HydrophobicContact CD1-CD2 3.57Å; L112-F131 HydrophobicContact CD1-CE2 4.25Å; L112-V132 PolarHBondContact N-O 3.31Å; L112-F133 HydrophobicContact CB-CD1 4.47Å; L112-F133 CarbonylContact O-C 3.55Å; L112-F133 WeakPolarHBondContact O-CA 3.35Å; L112-I134 WeakPolarHBondContact O-CG1 3.42Å; L112-I134 PolarHBondContact O-N 3.32Å
113K93.5Very high95.1Very high109 Ų10935.6 Ų35.647%0.47420%0.195SC..EExtended strand (participates in β ladder)trans-64.7128174.3-173-176.4178.7-174.80110.4A115 L116K113-A115 HydrophobicContact CD-CB 4.23Å; K113-A115 HydrophobicContact CG-CB 4.24Å; K113-A115 PolarHBondContact O-N 2.87Å; K113-L116 HydrophobicContact CB-CD1 4.48Å; K113-L116 HydrophobicContact CB-CG 4.42Å; K113-L116 WeakPolarHBondContact O-CB 3.34Å; K113-L116 PolarHBondContact O-N 2.81Å
114A93.8Very high95.3Very high32 Ų3235.8 Ų35.826%0.26420%0.196SC..G310 helixtrans-54.5-29-178.600000114.8L112 L116 K117 F133 I134 Q135L112-A114 PolarHBondContact O-N 3.25Å; A114-L116 PolarHBondContact O-N 2.9Å; A114-K117 WeakPolarHBondContact O-CB 3.32Å; A114-K117 PolarHBondContact O-N 2.93Å; A114-K117 VanDerWaalsContact O-N 3.16Å; A114-F133 HydrophobicContact CB-CB 4.32Å; A114-I134 PolarHBondContact N-O 3.5Å; A114-Q135 HydrophobicContact CB-CG 4.39Å
115A93.3Very high95.5Very high63 Ų6332.5 Ų32.552%0.52119%0.186SC..G310 helixtrans-61.6-25.8175.900000113.8K113 K117 A118K113-A115 HydrophobicContact CD-CB 4.23Å; K113-A115 HydrophobicContact CG-CB 4.24Å; K113-A115 PolarHBondContact O-N 2.87Å; A115-K117 PolarHBondContact O-N 2.91Å; A115-A118 PolarHBondContact O-N 3.4Å
116L93.4Very high95.6Very high58 Ų5832.9 Ų32.930%0.30419%0.187SC..G310 helixtrans-67.2-21.2178.6-64.5176.9000112.5L112 K113 A114 A118 L119 G123L112-L116 HydrophobicContact CB-CD1 4.24Å; L112-L116 HydrophobicContact CD1-CD1 4.5Å; L112-L116 HydrophobicContact CD2-CD1 4.28Å; K113-L116 HydrophobicContact CB-CD1 4.48Å; K113-L116 HydrophobicContact CB-CG 4.42Å; K113-L116 WeakPolarHBondContact O-CB 3.34Å; K113-L116 PolarHBondContact O-N 2.81Å; A114-L116 PolarHBondContact O-N 2.9Å; L116-A118 PolarHBondContact O-N 3.49Å; L116-L119 HydrophobicContact CB-CD1 4.46Å; L116-L119 HydrophobicContact CD2-CD1 3.63Å; L116-L119 WeakPolarHBondContact O-CB 3.31Å; L116-L119 PolarHBondContact O-N 2.98Å; L116-L119 VanDerWaalsContact O-N 3.13Å; L116-G123 VanDerWaalsContact O-CA 3.28Å; L116-G123 WeakPolarHBondContact O-CA 3.43Å
117K93.7Very high95.7Very high18 Ų1829.2 Ų29.28%0.07817%0.174CC..G310 helixtrans-55.3-36.9178.6-165.4173.2-169.5169.30113A114 A115 L119 G123 Q127 F133 Q349 G353 G354 E356A114-K117 WeakPolarHBondContact O-CB 3.32Å; A114-K117 PolarHBondContact O-N 2.93Å; A114-K117 VanDerWaalsContact O-N 3.16Å; A115-K117 PolarHBondContact O-N 2.91Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.39Å; K117-G123 CarbonylContact O-C 3.51Å; K117-G123 WeakPolarHBondContact O-CA 3.45Å; K117-Q127 HydrophobicContact CD-CG 4.26Å; K117-Q127 VanDerWaalsContact CE-CD 3.47Å; K117-Q127 VanDerWaalsContact CG-CD 3.42Å; K117-Q127 HydrophobicContact CG-CG 3.6Å; K117-Q127 PolarHBondContact O-NE2 3.32Å; K117-F133 HydrophobicContact CB-CD1 3.96Å; K117-F133 HydrophobicContact CB-CE1 3.81Å; K117-F133 HydrophobicContact CB-CG 4.39Å; K117-F133 HydrophobicContact CB-CZ 4.11Å; K117-F133 HydrophobicContact CD-CD2 4.21Å; K117-F133 HydrophobicContact CD-CE2 4.41Å; K117-F133 HydrophobicContact CD-CG 4.35Å; K117-F133 HydrophobicContact CG-CD2 4.4Å; K117-F133 HydrophobicContact CG-CE1 4.28Å; K117-F133 HydrophobicContact CG-CE2 4.17Å; K117-F133 HydrophobicContact CG-CZ 4.09Å; K117-Q349 HydrophobicContact CD-CG 4.29Å; K117-Q349 HydrophobicContact CG-CG 4.31Å; K117-Q349 PolarHBondContact O-OE1 3.3Å; K117-Q349 VanDerWaalsContact O-OE1 3.05Å; K117-G353 WeakPolarHBondContact CE-O 3.47Å; K117-G353 PolarHBondContact NZ-O 3.29Å; K117-G354 VanDerWaalsContact CE-CA 3.44Å; K117-E356 VanDerWaalsContact CE-OE1 3.25Å; K117-E356 WeakPolarHBondContact CE-OE1 3.46Å; K117-E356 WeakPolarHBondContact CE-OE2 3.47Å; K117-E356 IonicContact NZ-OE1 2.51Å; K117-E356 PolarHBondContact NZ-OE1 3.49Å; K117-E356 IonicContact NZ-OE2 3.05Å; K117-E356 PolarHBondContact NZ-OE2 3.26Å
118A93.6Very high95.7Very high58 Ų5828.7 Ų28.748%0.47917%0.171SC..G310 helixtrans-78.9-6.4-17700000114.6A115 L116 P120A115-A118 PolarHBondContact O-N 3.4Å; L116-A118 PolarHBondContact O-N 3.49Å; A118-P120 WeakPolarHBondContact O-CD 3.47Å
119L95.4Very high95.7Very high79 Ų7928.6 Ų28.641%0.41417%0.17SC..SBendtrans-71.7124.9-178-67.5176.8000110.7L116 K117 G123L116-L119 HydrophobicContact CB-CD1 4.46Å; L116-L119 HydrophobicContact CD2-CD1 3.63Å; L116-L119 WeakPolarHBondContact O-CB 3.31Å; L116-L119 PolarHBondContact O-N 2.98Å; L116-L119 VanDerWaalsContact O-N 3.13Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.39Å; L119-G123 WeakPolarHBondContact O-CA 3.46Å; L119-G123 PolarHBondContact O-N 3.45Å
120P96Very high95.7Very high58 Ų5828.1 Ų28.138%0.37717%0.169SC..THydrogen-bonded Turntrans-59.1140.4175.3-25.135.4000112.3F15 F19 A118 F122 W124F15-P120 HydrophobicContact CE2-CB 4.46Å; F19-P120 HydrophobicContact CD2-CB 4.43Å; A118-P120 WeakPolarHBondContact O-CD 3.47Å; P120-F122 VanDerWaalsContact C-N 3.27Å; P120-F122 PolarHBondContact O-N 3.02Å; P120-W124 HydrophobicContact CB-CH2 3.91Å; P120-W124 HydrophobicContact CB-CZ2 3.82Å; P120-W124 HydrophobicContact CB-CZ3 4.43Å; P120-W124 HydrophobicContact CG-CZ2 4.37Å
121G96.2Very high95.7Very high0 Ų028.4 Ų28.40%017%0.17CC..THydrogen-bonded Turntrans72.8-75.5-172.600000112S18 S22 G123 W124 A125S18-G121 PolarHBondContact OG-O 3.04Å; S22-G121 PolarHBondContact OG-O 3.46Å; G121-G123 PolarHBondContact O-N 3.28Å; G121-W124 VanDerWaalsContact N-CE3 3.26Å; G121-W124 PolarHBondContact O-N 2.79Å; G121-A125 WeakPolarHBondContact O-CB 3.38Å; G121-A125 PolarHBondContact O-N 3.18Å
122F95.6Very high95.7Very high44 Ų4427.5 Ų27.519%0.19316%0.163CC..Hα-helixtrans-61-52.6-172.9-62.3-74.4000112.6L14 F15 S18 W51 P120 W124 A125 M126L14-F122 HydrophobicContact CB-CE1 4.12Å; L14-F122 HydrophobicContact CB-CZ 3.86Å; F15-F122 HydrophobicContact CB-CE2 4.19Å; F15-F122 HydrophobicContact CB-CZ 4.39Å; F15-F122 HydrophobicContact CD2-CE2 4.1Å; S18-F122 VanDerWaalsContact OG-CA 3.26Å; S18-F122 WeakPolarHBondContact OG-CA 3.21Å; S18-F122 PolarHBondContact OG-N 3.37Å; W51-F122 AromaticContact CH2-CD1 3.69Å; W51-F122 HydrophobicContact CH2-CD1 3.69Å; W51-F122 AromaticContact CH2-CE1 3.47Å; W51-F122 HydrophobicContact CH2-CE1 3.47Å; W51-F122 VanDerWaalsContact CH2-CE1 3.47Å; W51-F122 AromaticContact CZ2-CD1 3.89Å; W51-F122 HydrophobicContact CZ2-CD1 3.89Å; W51-F122 AromaticContact CZ2-CE1 3.4Å; W51-F122 HydrophobicContact CZ2-CE1 3.4Å; W51-F122 VanDerWaalsContact CZ2-CE1 3.4Å; W51-F122 HydrophobicContact CZ2-CZ 4.46Å; P120-F122 VanDerWaalsContact C-N 3.27Å; P120-F122 PolarHBondContact O-N 3.02Å; F122-W124 VanDerWaalsContact C-N 3.3Å; F122-W124 PolarHBondContact O-N 3.15Å; F122-A125 PolarHBondContact O-N 3.26Å; F122-M126 HydrophobicContact CB-CE 4.29Å; F122-M126 WeakPolarHBondContact O-CB 3.32Å; F122-M126 WeakPolarHBondContact O-CG 3.35Å; F122-M126 PolarHBondContact O-N 2.9Å
123G96.8Very high95.9Very high0 Ų027.2 Ų27.20%016%0.162CC..Hα-helixtrans-64.2-36.3-179.600000112.1L116 K117 L119 G121 M126 Q127L116-G123 VanDerWaalsContact O-CA 3.28Å; L116-G123 WeakPolarHBondContact O-CA 3.43Å; K117-G123 CarbonylContact O-C 3.51Å; K117-G123 WeakPolarHBondContact O-CA 3.45Å; L119-G123 WeakPolarHBondContact O-CA 3.46Å; L119-G123 PolarHBondContact O-N 3.45Å; G121-G123 PolarHBondContact O-N 3.28Å; G123-M126 PolarHBondContact O-N 3.46Å; G123-Q127 WeakPolarHBondContact O-CG 3.28Å; G123-Q127 PolarHBondContact O-N 2.97Å; G123-Q127 PolarHBondContact O-NE2 2.93Å
124W97.8Very high95.9Very high5 Ų523.8 Ų23.82%0.01915%0.148CC..Hα-helixtrans-65.1-48.9175.3-57.5-19.1000112.1F19 I23 P120 G121 F122 M126 Q127 V128 T342 F345F19-W124 HydrophobicContact CD2-CH2 4.15Å; F19-W124 AromaticContact CD2-CZ3 3.7Å; F19-W124 HydrophobicContact CD2-CZ3 3.7Å; F19-W124 AromaticContact CE2-CH2 3.71Å; F19-W124 HydrophobicContact CE2-CH2 3.71Å; F19-W124 AromaticContact CE2-CZ3 3.59Å; F19-W124 HydrophobicContact CE2-CZ3 3.59Å; I23-W124 HydrophobicContact CD1-CZ3 4.08Å; I23-W124 HydrophobicContact CG1-CZ3 4.23Å; P120-W124 HydrophobicContact CB-CH2 3.91Å; P120-W124 HydrophobicContact CB-CZ2 3.82Å; P120-W124 HydrophobicContact CB-CZ3 4.43Å; P120-W124 HydrophobicContact CG-CZ2 4.37Å; G121-W124 VanDerWaalsContact N-CE3 3.26Å; G121-W124 PolarHBondContact O-N 2.79Å; F122-W124 VanDerWaalsContact C-N 3.3Å; F122-W124 PolarHBondContact O-N 3.15Å; W124-M126 VanDerWaalsContact C-N 3.33Å; W124-M126 PolarHBondContact O-N 3.48Å; W124-Q127 WeakPolarHBondContact O-CB 3.27Å; W124-Q127 PolarHBondContact O-N 2.98Å; W124-V128 WeakPolarHBondContact O-CG2 3.2Å; W124-V128 PolarHBondContact O-N 3.31Å; W124-T342 HydrophobicContact CH2-CG2 3.9Å; W124-T342 HydrophobicContact CZ2-CG2 4.46Å; W124-F345 HydrophobicContact CB-CB 4.46Å; W124-F345 HydrophobicContact CB-CD1 3.63Å; W124-F345 HydrophobicContact CB-CE1 4.01Å; W124-F345 HydrophobicContact CB-CG 4.11Å; W124-F345 HydrophobicContact CD2-CB 3.52Å; W124-F345 HydrophobicContact CD2-CD1 4.3Å; W124-F345 HydrophobicContact CD2-CD2 4.43Å; W124-F345 AromaticContact CD2-CG 3.87Å; W124-F345 HydrophobicContact CD2-CG 3.87Å; W124-F345 HydrophobicContact CE3-CB 4Å; W124-F345 HydrophobicContact CE3-CD2 4.16Å; W124-F345 HydrophobicContact CE3-CG 4.07Å; W124-F345 HydrophobicContact CG-CB 3.73Å; W124-F345 AromaticContact CG-CD1 3.83Å; W124-F345 HydrophobicContact CG-CD1 3.83Å; W124-F345 AromaticContact CG-CG 3.9Å; W124-F345 HydrophobicContact CG-CG 3.9Å; W124-F345 HydrophobicContact CZ2-CB 4.13Å; W124-F345 HydrophobicContact CZ3-CB 4.49Å
125A97.6Very high95.9Very high14 Ų1426.5 Ų26.512%0.11616%0.155CC..Hα-helixtrans-61.7-40.7175.700000111.8L26 G121 F122 Q127 V128 A129L26-A125 HydrophobicContact CD1-CB 4.12Å; G121-A125 WeakPolarHBondContact O-CB 3.38Å; G121-A125 PolarHBondContact O-N 3.18Å; F122-A125 PolarHBondContact O-N 3.26Å; A125-Q127 VanDerWaalsContact C-N 3.34Å; A125-Q127 PolarHBondContact O-N 3.47Å; A125-V128 CarbonylContact O-C 3.56Å; A125-V128 PolarHBondContact O-N 3.03Å; A125-A129 VanDerWaalsContact O-CB 3.23Å; A125-A129 WeakPolarHBondContact O-CB 3.41Å; A125-A129 PolarHBondContact O-N 3.42Å
126M97.6Very high95.7Very high18 Ų1829.3 Ų29.39%0.08915%0.152CC..Hα-helixtrans-64.1-36.8176.9-71.1168.1-177.600112.4L112 F122 G123 W124 A129 C130 F131 F133L112-M126 HydrophobicContact CD1-CE 4.21Å; L112-M126 HydrophobicContact CD1-CG 4.4Å; L112-M126 HydrophobicContact CD1-SD 3.72Å; F122-M126 HydrophobicContact CB-CE 4.29Å; F122-M126 WeakPolarHBondContact O-CB 3.32Å; F122-M126 WeakPolarHBondContact O-CG 3.35Å; F122-M126 PolarHBondContact O-N 2.9Å; G123-M126 PolarHBondContact O-N 3.46Å; W124-M126 VanDerWaalsContact C-N 3.33Å; W124-M126 PolarHBondContact O-N 3.48Å; M126-A129 PolarHBondContact O-N 2.95Å; M126-C130 PolarHBondContact O-N 2.84Å; M126-F131 HydrophobicContact CB-CB 4.37Å; M126-F131 HydrophobicContact CB-CD2 3.98Å; M126-F131 HydrophobicContact CB-CG 4.35Å; M126-F131 HydrophobicContact CG-CD2 3.74Å; M126-F131 HydrophobicContact CG-CE2 4.08Å; M126-F131 WeakPolarHBondContact O-CB 3.4Å; M126-F131 PolarHBondContact O-N 3.03Å; M126-F133 HydrophobicContact CB-CE1 4.37Å; M126-F133 HydrophobicContact CB-CZ 3.66Å
127Q97.6Very high95.6Very high0 Ų034.1 Ų34.10%017%0.166CC..Hα-helixtrans-64.2-49172.2-71.7173.871.200111.3K117 G123 W124 A125 A129 C130 F133 L355 E356K117-Q127 HydrophobicContact CD-CG 4.26Å; K117-Q127 VanDerWaalsContact CE-CD 3.47Å; K117-Q127 VanDerWaalsContact CG-CD 3.42Å; K117-Q127 HydrophobicContact CG-CG 3.6Å; K117-Q127 PolarHBondContact O-NE2 3.32Å; G123-Q127 WeakPolarHBondContact O-CG 3.28Å; G123-Q127 PolarHBondContact O-N 2.97Å; G123-Q127 PolarHBondContact O-NE2 2.93Å; W124-Q127 WeakPolarHBondContact O-CB 3.27Å; W124-Q127 PolarHBondContact O-N 2.98Å; A125-Q127 VanDerWaalsContact C-N 3.34Å; A125-Q127 PolarHBondContact O-N 3.47Å; Q127-A129 PolarHBondContact O-N 3.21Å; Q127-C130 PolarHBondContact O-N 3.26Å; Q127-F133 HydrophobicContact CG-CE2 3.82Å; Q127-F133 HydrophobicContact CG-CZ 4.07Å; Q127-L355 HydrophobicContact CB-CB 4.07Å; Q127-E356 WeakPolarHBondContact O-CB 3.49Å
128V97.6Very high95.5Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-63.1-31.7176.2174.30000111.9L26 L30 R41 T44 W124 A125 C130 F345 L355L26-V128 HydrophobicContact CB-CG1 4.24Å; L26-V128 HydrophobicContact CB-CG2 4.47Å; L26-V128 HydrophobicContact CD1-CB 3.99Å; L26-V128 HydrophobicContact CD1-CG1 3.9Å; L26-V128 HydrophobicContact CD1-CG2 4.33Å; L26-V128 HydrophobicContact CD2-CG1 3.82Å; L26-V128 HydrophobicContact CG-CG1 4.2Å; L30-V128 HydrophobicContact CD2-CG2 3.97Å; R41-V128 VanDerWaalsContact CZ-O 3.26Å; R41-V128 PolarHBondContact NH1-O 2.85Å; R41-V128 PolarHBondContact NH2-O 2.82Å; T44-V128 HydrophobicContact CG2-CG1 3.55Å; W124-V128 WeakPolarHBondContact O-CG2 3.2Å; W124-V128 PolarHBondContact O-N 3.31Å; A125-V128 CarbonylContact O-C 3.56Å; A125-V128 PolarHBondContact O-N 3.03Å; V128-C130 PolarHBondContact O-N 3.37Å; V128-F345 HydrophobicContact CG2-CE1 3.96Å; V128-L355 HydrophobicContact CG2-CD1 3.44Å; V128-L355 VanDerWaalsContact CG2-CD1 3.44Å
129A96.9Very high95.4Very high0 Ų041.8 Ų41.80%019%0.189CC..THydrogen-bonded Turntrans-74.5-1.1174.900000113.3V48 K109 A125 M126 Q127 F131V48-A129 HydrophobicContact CG1-CB 4.04Å; V48-A129 HydrophobicContact CG2-CB 4.06Å; K109-A129 VanDerWaalsContact CD-O 3.23Å; K109-A129 WeakPolarHBondContact CD-O 3.34Å; K109-A129 WeakPolarHBondContact CE-O 3.23Å; K109-A129 PolarHBondContact NZ-O 2.83Å; A125-A129 VanDerWaalsContact O-CB 3.23Å; A125-A129 WeakPolarHBondContact O-CB 3.41Å; A125-A129 PolarHBondContact O-N 3.42Å; M126-A129 PolarHBondContact O-N 2.95Å; Q127-A129 PolarHBondContact O-N 3.21Å; A129-F131 VanDerWaalsContact C-N 3.31Å; A129-F131 HydrophobicContact CB-CD1 3.71Å; A129-F131 HydrophobicContact CB-CE1 3.71Å; A129-F131 HydrophobicContact CB-CG 4.45Å; A129-F131 HydrophobicContact CB-CZ 4.46Å; A129-F131 PolarHBondContact O-N 3.41Å
130C96.7Very high95.3Very high0 Ų043.2 Ų43.20%020%0.195CC..THydrogen-bonded Turntrans56.342.4-177.3-156.40000112.4M126 Q127 V128 F152M126-C130 PolarHBondContact O-N 2.84Å; Q127-C130 PolarHBondContact O-N 3.26Å; V128-C130 PolarHBondContact O-N 3.37Å; C130-F152 HydrophobicContact CB-CE1 4.49Å; C130-F152 WeakPolarHBondContact O-CZ 3.1Å
131F97.3Very high95.2Very high6 Ų641 Ų413%0.02618%0.18CC..  trans-71.6155172.6-77.313000111E108 K109 I110 L112 M126 A129 F133E108-F131 WeakPolarHBondContact O-CE1 3.48Å; K109-F131 HydrophobicContact CB-CD1 4.42Å; K109-F131 HydrophobicContact CD-CD1 3.91Å; K109-F131 HydrophobicContact CD-CE1 4.1Å; I110-F131 HydrophobicContact CB-CD2 4.19Å; I110-F131 HydrophobicContact CB-CE2 4.16Å; I110-F131 HydrophobicContact CD1-CE2 3.85Å; I110-F131 HydrophobicContact CD1-CZ 4.19Å; I110-F131 HydrophobicContact CG1-CD2 4.43Å; I110-F131 HydrophobicContact CG1-CE2 3.91Å; I110-F131 HydrophobicContact CG1-CZ 4.08Å; L112-F131 HydrophobicContact CD1-CD2 3.57Å; L112-F131 HydrophobicContact CD1-CE2 4.25Å; M126-F131 HydrophobicContact CB-CB 4.37Å; M126-F131 HydrophobicContact CB-CD2 3.98Å; M126-F131 HydrophobicContact CB-CG 4.35Å; M126-F131 HydrophobicContact CG-CD2 3.74Å; M126-F131 HydrophobicContact CG-CE2 4.08Å; M126-F131 WeakPolarHBondContact O-CB 3.4Å; M126-F131 PolarHBondContact O-N 3.03Å; A129-F131 VanDerWaalsContact C-N 3.31Å; A129-F131 HydrophobicContact CB-CD1 3.71Å; A129-F131 HydrophobicContact CB-CE1 3.71Å; A129-F131 HydrophobicContact CB-CG 4.45Å; A129-F131 HydrophobicContact CB-CZ 4.46Å; A129-F131 PolarHBondContact O-N 3.41Å; F131-F133 HydrophobicContact CB-CE2 4.49Å; F131-F133 WeakPolarHBondContact O-CD2 3.2Å
132V97Very high95.2Very high0 Ų045.4 Ų45.40%020%0.199CC..EExtended strand (participates in β ladder)trans-93.1108.1-173.7-176.10000109.6I110 C111 L112 I134 L145 M148 F152 L161I110-V132 PolarHBondContact O-N 3.13Å; I110-V132 VanDerWaalsContact O-N 3.1Å; C111-V132 CarbonylContact C-O 3.47Å; C111-V132 WeakPolarHBondContact CA-O 3.35Å; L112-V132 PolarHBondContact N-O 3.31Å; V132-I134 HydrophobicContact CG1-CG2 4.19Å; V132-L145 HydrophobicContact CG1-CD1 3.7Å; V132-M148 HydrophobicContact CG2-CB 4.43Å; V132-M148 HydrophobicContact CG2-CE 3.89Å; V132-F152 HydrophobicContact CG2-CE2 3.88Å; V132-F152 HydrophobicContact CG2-CZ 4.28Å; V132-L161 HydrophobicContact CG2-CD1 4.19Å
133F95.8Very high95.2Very high9 Ų946 Ų464%0.03921%0.213CC..EExtended strand (participates in β ladder)trans-94.1117-177.6-68.8-77.5000111.6L112 A114 K117 M126 Q127 F131 H144 E356L112-F133 HydrophobicContact CB-CD1 4.47Å; L112-F133 CarbonylContact O-C 3.55Å; L112-F133 WeakPolarHBondContact O-CA 3.35Å; A114-F133 HydrophobicContact CB-CB 4.32Å; K117-F133 HydrophobicContact CB-CD1 3.96Å; K117-F133 HydrophobicContact CB-CE1 3.81Å; K117-F133 HydrophobicContact CB-CG 4.39Å; K117-F133 HydrophobicContact CB-CZ 4.11Å; K117-F133 HydrophobicContact CD-CD2 4.21Å; K117-F133 HydrophobicContact CD-CE2 4.41Å; K117-F133 HydrophobicContact CD-CG 4.35Å; K117-F133 HydrophobicContact CG-CD2 4.4Å; K117-F133 HydrophobicContact CG-CE1 4.28Å; K117-F133 HydrophobicContact CG-CE2 4.17Å; K117-F133 HydrophobicContact CG-CZ 4.09Å; M126-F133 HydrophobicContact CB-CE1 4.37Å; M126-F133 HydrophobicContact CB-CZ 3.66Å; Q127-F133 HydrophobicContact CG-CE2 3.82Å; Q127-F133 HydrophobicContact CG-CZ 4.07Å; F131-F133 HydrophobicContact CB-CE2 4.49Å; F131-F133 WeakPolarHBondContact O-CD2 3.2Å; F133-H144 PolarHBondContact O-CD2 2.88Å; F133-H144 PolarHBondContact O-NE2 3.45Å; F133-E356 WeakPolarHBondContact CD2-OE1 3.32Å
134I94.6Very high95.1Very high38 Ų3847.9 Ų47.920%0.19522%0.222CC..EExtended strand (participates in β ladder)trans-117.9146.7-177.860.1168.8000112.8L112 A114 V132 R136 D141L112-I134 WeakPolarHBondContact O-CG1 3.42Å; L112-I134 PolarHBondContact O-N 3.32Å; A114-I134 PolarHBondContact N-O 3.5Å; V132-I134 HydrophobicContact CG1-CG2 4.19Å; I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 HydrophobicContact CD1-CG 4.12Å; I134-R136 HydrophobicContact CG1-CG 4.26Å; I134-D141 HydrophobicContact CG2-CB 4.38Å
135Q92.7Very high95Very high88 Ų8848 Ų4841%0.41122%0.223SC..  trans-82.6-9.7173.2-59-165.335.300112.9A114 R137 D141A114-Q135 HydrophobicContact CB-CG 4.39Å; Q135-R137 VanDerWaalsContact C-N 3.31Å; Q135-D141 WeakPolarHBondContact CB-OD1 3.26Å; Q135-D141 VanDerWaalsContact N-CG 3.35Å; Q135-D141 PolarHBondContact N-OD1 3.16Å; Q135-D141 PolarHBondContact N-OD2 3.16Å
136R89.5Confident95Very high122 Ų12250.3 Ų50.346%0.4623%0.231SC..SBendtrans64.336.4-173.1-53.8-178.6-67.3175.20.6111.9I134 D141 G167I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 HydrophobicContact CD1-CG 4.12Å; I134-R136 HydrophobicContact CG1-CG 4.26Å; R136-D141 WeakPolarHBondContact CA-OD2 3.34Å; R136-D141 PolarHBondContact N-OD2 2.62Å; R136-G167 PolarHBondContact NH1-O 3.12Å
137R90.9Very high94.9Very high159 Ų15953.4 Ų53.460%0.625%0.248SC*.  trans-136.1108.7174.1-76-172.8-82.6-173.8-1.5107.8Q135 E139 M140 D141Q135-R137 VanDerWaalsContact C-N 3.31Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.08Å; R137-M140 HydrophobicContact CB-CB 4.27Å; R137-M140 HydrophobicContact CB-CG 4.08Å; R137-M140 WeakPolarHBondContact O-CB 3.48Å; R137-M140 PolarHBondContact O-N 2.67Å; R137-D141 PolarHBondContact N-OD2 3.3Å; R137-D141 PolarHBondContact O-N 2.75Å
138W92.3Very high94.9Very high78 Ų7853.4 Ų53.430%0.29525%0.248SC..Hα-helixtrans-49.8-48.2-171179.1-114.2000113.3M140 D141 K142 L145 T199 F203W138-M140 PolarHBondContact O-N 3.24Å; W138-D141 PolarHBondContact O-N 2.89Å; W138-K142 HydrophobicContact CD2-CB 4.34Å; W138-K142 HydrophobicContact CH2-CB 4.21Å; W138-K142 HydrophobicContact CH2-CG 3.98Å; W138-K142 HydrophobicContact CZ2-CB 3.99Å; W138-K142 HydrophobicContact CZ2-CD 3.79Å; W138-K142 HydrophobicContact CZ2-CG 3.64Å; W138-K142 WeakPolarHBondContact O-CB 3.43Å; W138-K142 PolarHBondContact O-N 3.31Å; W138-L145 HydrophobicContact CZ3-CD2 4.21Å; W138-T199 HydrophobicContact CD2-CG2 3.73Å; W138-T199 HydrophobicContact CE3-CG2 3.94Å; W138-T199 HydrophobicContact CG-CG2 4.2Å; W138-T199 HydrophobicContact CH2-CG2 4.4Å; W138-T199 HydrophobicContact CZ2-CG2 4.18Å; W138-T199 HydrophobicContact CZ3-CG2 4.28Å; W138-F203 HydrophobicContact CH2-CB 3.66Å; W138-F203 AromaticContact CH2-CD1 3.89Å; W138-F203 HydrophobicContact CH2-CD1 3.89Å; W138-F203 AromaticContact CH2-CD2 3.7Å; W138-F203 HydrophobicContact CH2-CD2 3.7Å; W138-F203 HydrophobicContact CH2-CE1 4.42Å; W138-F203 HydrophobicContact CH2-CE2 4.27Å; W138-F203 AromaticContact CH2-CG 3.48Å; W138-F203 HydrophobicContact CH2-CG 3.48Å; W138-F203 VanDerWaalsContact CH2-CG 3.48Å; W138-F203 HydrophobicContact CZ2-CD2 4.17Å; W138-F203 HydrophobicContact CZ2-CG 4.37Å; W138-F203 HydrophobicContact CZ3-CB 4.25Å; W138-F203 HydrophobicContact CZ3-CD1 4.43Å; W138-F203 HydrophobicContact CZ3-CG 4.3Å
139E92.7Very high94.9Very high159 Ų15953.4 Ų53.474%0.74325%0.248SC*.Hα-helixtrans-63.2-26.9-178.7-51-49.3155.800114.2R137R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.08Å
140M91.5Very high94.9Very high109 Ų10956.4 Ų56.454%0.53726%0.264SS..Hα-helixtrans-85.2-30.7175.7-60.3-62.9-61.900111.9R137 W138R137-M140 HydrophobicContact CB-CB 4.27Å; R137-M140 HydrophobicContact CB-CG 4.08Å; R137-M140 WeakPolarHBondContact O-CB 3.48Å; R137-M140 PolarHBondContact O-N 2.67Å; W138-M140 PolarHBondContact O-N 3.24Å
141D94.6Very high94.9Very high12 Ų1256.7 Ų56.76%0.06427%0.265CS..Hα-helixtrans-95-27-168.4-66.9-34.1000112.7I134 Q135 R136 R137 W138 A143 H144 L145I134-D141 HydrophobicContact CG2-CB 4.38Å; Q135-D141 WeakPolarHBondContact CB-OD1 3.26Å; Q135-D141 VanDerWaalsContact N-CG 3.35Å; Q135-D141 PolarHBondContact N-OD1 3.16Å; Q135-D141 PolarHBondContact N-OD2 3.16Å; R136-D141 WeakPolarHBondContact CA-OD2 3.34Å; R136-D141 PolarHBondContact N-OD2 2.62Å; R137-D141 PolarHBondContact N-OD2 3.3Å; R137-D141 PolarHBondContact O-N 2.75Å; W138-D141 PolarHBondContact O-N 2.89Å; D141-A143 PolarHBondContact O-N 3.04Å; D141-H144 PolarHBondContact O-N 2.68Å; D141-L145 VanDerWaalsContact O-CB 3.3Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 PolarHBondContact O-N 3.36Å
142K95.4Very high94.9Very high92 Ų9256.6 Ų56.640%0.427%0.265SS..Hα-helixtrans-52.8-54-171.9-179.6-176176.1-169.30112.7W138 H144 L145 E146W138-K142 HydrophobicContact CD2-CB 4.34Å; W138-K142 HydrophobicContact CH2-CB 4.21Å; W138-K142 HydrophobicContact CH2-CG 3.98Å; W138-K142 HydrophobicContact CZ2-CB 3.99Å; W138-K142 HydrophobicContact CZ2-CD 3.79Å; W138-K142 HydrophobicContact CZ2-CG 3.64Å; W138-K142 WeakPolarHBondContact O-CB 3.43Å; W138-K142 PolarHBondContact O-N 3.31Å; K142-H144 PolarHBondContact O-N 3.39Å; K142-L145 PolarHBondContact O-N 2.93Å; K142-E146 VanDerWaalsContact O-CB 3.3Å; K142-E146 WeakPolarHBondContact O-CB 3.49Å; K142-E146 PolarHBondContact O-N 2.93Å
143A95.8Very high94.9Very high58 Ų5857.1 Ų57.148%0.47927%0.268SS..Hα-helixtrans-65.9-38.4-177.800000112.3D141 N147D141-A143 PolarHBondContact O-N 3.04Å; A143-N147 VanDerWaalsContact O-CG 3.24Å; A143-N147 PolarHBondContact O-N 3.44Å; A143-N147 VanDerWaalsContact O-N 3.09Å; A143-N147 PolarHBondContact O-ND2 2.9Å
144H94.9Very high94.9Very high39 Ų3960 Ų6018%0.18128%0.284CS..Hα-helixtrans-65.7-46.8175.8173.754.8000111.3F133 D141 K142 E146 N147 M148F133-H144 PolarHBondContact O-CD2 2.88Å; F133-H144 PolarHBondContact O-NE2 3.45Å; D141-H144 PolarHBondContact O-N 2.68Å; K142-H144 PolarHBondContact O-N 3.39Å; H144-E146 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 3.3Å; H144-N147 PolarHBondContact O-N 3.26Å; H144-M148 VanDerWaalsContact CE1-CG 3.49Å; H144-M148 WeakPolarHBondContact CE1-CG 3.5Å; H144-M148 WeakPolarHBondContact O-CG 3.31Å; H144-M148 PolarHBondContact O-N 2.67Å
145L96.2Very high94.9Very high7 Ų760.1 Ų60.14%0.03728%0.284CS..Hα-helixtrans-61.9-43.4178.6-175.661.3000111.2V132 W138 D141 K142 M148 L149 F203 I204V132-L145 HydrophobicContact CG1-CD1 3.7Å; W138-L145 HydrophobicContact CZ3-CD2 4.21Å; D141-L145 VanDerWaalsContact O-CB 3.3Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 PolarHBondContact O-N 3.36Å; K142-L145 PolarHBondContact O-N 2.93Å; L145-M148 PolarHBondContact O-N 3Å; L145-L149 HydrophobicContact CD1-CD1 4.27Å; L145-L149 HydrophobicContact CD1-CG 4.29Å; L145-L149 HydrophobicContact CG-CD1 4.03Å; L145-L149 HydrophobicContact CG-CG 4.45Å; L145-L149 VanDerWaalsContact O-CG 3.22Å; L145-L149 WeakPolarHBondContact O-CG 3.16Å; L145-L149 PolarHBondContact O-N 3.4Å; L145-F203 HydrophobicContact CB-CE1 4.36Å; L145-F203 HydrophobicContact CD2-CD1 3.68Å; L145-F203 HydrophobicContact CD2-CE1 4.1Å; L145-F203 HydrophobicContact CG-CD1 4.04Å; L145-F203 HydrophobicContact CG-CE1 4Å; L145-I204 HydrophobicContact CD1-CD1 4.33Å; L145-I204 HydrophobicContact CD1-CG1 4.2Å; L145-I204 HydrophobicContact CD2-CD1 4.39Å; L145-I204 HydrophobicContact CD2-CG1 4.09Å; L145-I204 HydrophobicContact CG-CG1 4.45Å
146E97.1Very high94.8Very high63 Ų6362.4 Ų62.429%0.29429%0.289SS..Hα-helixtrans-54.7-53.9173.8-174.8159-152.700111.4K142 H144 M148 L149 D150 F203 K207K142-E146 VanDerWaalsContact O-CB 3.3Å; K142-E146 WeakPolarHBondContact O-CB 3.49Å; K142-E146 PolarHBondContact O-N 2.93Å; H144-E146 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 3.3Å; E146-M148 VanDerWaalsContact C-N 3.31Å; E146-M148 PolarHBondContact O-N 3.49Å; E146-L149 PolarHBondContact O-N 3.03Å; E146-D150 WeakPolarHBondContact O-CB 3.48Å; E146-D150 VanDerWaalsContact O-CG 3.28Å; E146-D150 PolarHBondContact O-N 3.32Å; E146-F203 HydrophobicContact CB-CE1 4.29Å; E146-F203 HydrophobicContact CB-CZ 3.88Å; E146-F203 HydrophobicContact CG-CZ 4.29Å; E146-K207 VanDerWaalsContact OE1-CE 3.31Å; E146-K207 WeakPolarHBondContact OE1-CE 3.43Å; E146-K207 IonicContact OE1-NZ 2.65Å; E146-K207 PolarHBondContact OE1-NZ 3.39Å
147N95.9Very high94.9Very high83 Ų8360.2 Ų60.244%0.44428%0.284SS..Hα-helixtrans-58.4-41.5179.4-72.1-40000112.6A143 H144 Y151 M360A143-N147 VanDerWaalsContact O-CG 3.24Å; A143-N147 PolarHBondContact O-N 3.44Å; A143-N147 VanDerWaalsContact O-N 3.09Å; A143-N147 PolarHBondContact O-ND2 2.9Å; H144-N147 PolarHBondContact O-N 3.26Å; N147-Y151 WeakPolarHBondContact O-CB 3.38Å; N147-Y151 PolarHBondContact O-N 2.94Å; N147-M360 HydrophobicContact CB-CE 3.68Å; N147-M360 WeakPolarHBondContact O-CE 3.45Å
148M97Very high95Very high0 Ų054.8 Ų54.80%027%0.269CS..Hα-helixtrans-64.9-44.5178.5-70-70.8-67.600111.5V132 H144 L145 E146 Y151 F152 E356 M360V132-M148 HydrophobicContact CG2-CB 4.43Å; V132-M148 HydrophobicContact CG2-CE 3.89Å; H144-M148 VanDerWaalsContact CE1-CG 3.49Å; H144-M148 WeakPolarHBondContact CE1-CG 3.5Å; H144-M148 WeakPolarHBondContact O-CG 3.31Å; H144-M148 PolarHBondContact O-N 2.67Å; L145-M148 PolarHBondContact O-N 3Å; E146-M148 VanDerWaalsContact C-N 3.31Å; E146-M148 PolarHBondContact O-N 3.49Å; M148-Y151 WeakPolarHBondContact O-CB 3.32Å; M148-Y151 PolarHBondContact O-N 2.83Å; M148-F152 HydrophobicContact CB-CE2 4.37Å; M148-F152 HydrophobicContact CE-CE2 4.34Å; M148-F152 HydrophobicContact CE-CZ 3.87Å; M148-F152 WeakPolarHBondContact O-CD2 3.23Å; M148-F152 WeakPolarHBondContact O-CG 3.35Å; M148-F152 PolarHBondContact O-N 3.17Å; M148-E356 HydrophobicContact CE-CG 4.49Å; M148-E356 HydrophobicContact SD-CG 4.37Å; M148-M360 HydrophobicContact CG-CE 4.41Å; M148-M360 HydrophobicContact CG-SD 4.32Å; M148-M360 HydrophobicContact SD-CE 4.04Å; M148-M360 HydrophobicContact SD-SD 3.27Å
149L97.8Very high95.2Very high0 Ų051.3 Ų51.30%026%0.257CS..Hα-helixtrans-67.9-41179.8-65.2173.3000111.7L145 E146 Y151 F152 C153 L161 F203 I204 K207 L208L145-L149 HydrophobicContact CD1-CD1 4.27Å; L145-L149 HydrophobicContact CD1-CG 4.29Å; L145-L149 HydrophobicContact CG-CD1 4.03Å; L145-L149 HydrophobicContact CG-CG 4.45Å; L145-L149 VanDerWaalsContact O-CG 3.22Å; L145-L149 WeakPolarHBondContact O-CG 3.16Å; L145-L149 PolarHBondContact O-N 3.4Å; E146-L149 PolarHBondContact O-N 3.03Å; L149-Y151 VanDerWaalsContact C-N 3.31Å; L149-Y151 PolarHBondContact O-N 2.84Å; L149-F152 HydrophobicContact CD2-CD2 4.41Å; L149-F152 PolarHBondContact O-N 3.03Å; L149-C153 PolarHBondContact O-N 3.29Å; L149-C153 PolarHBondContact O-SG 3.21Å; L149-L161 HydrophobicContact CD2-CD2 3.96Å; L149-F203 HydrophobicContact CD1-CD1 4Å; L149-F203 HydrophobicContact CD1-CE1 3.9Å; L149-I204 HydrophobicContact CD1-CB 4.4Å; L149-I204 HydrophobicContact CD1-CG1 3.98Å; L149-I204 HydrophobicContact CD2-CG1 4.4Å; L149-I204 HydrophobicContact CD2-CG2 4.34Å; L149-K207 HydrophobicContact CB-CB 4.38Å; L149-K207 HydrophobicContact CD1-CB 3.79Å; L149-K207 HydrophobicContact CD1-CG 4.22Å; L149-L208 HydrophobicContact CD2-CD1 4.3Å; L149-L208 HydrophobicContact CD2-CD2 3.9Å; L149-L208 HydrophobicContact CD2-CG 4.03Å
150D97Very high95.4Very high62 Ų6243.8 Ų43.833%0.33222%0.221SC..Hα-helixtrans-61.6-42.2175.4-68.5-16000110.4E146 F152 C153 D154 K207E146-D150 WeakPolarHBondContact O-CB 3.48Å; E146-D150 VanDerWaalsContact O-CG 3.28Å; E146-D150 PolarHBondContact O-N 3.32Å; D150-F152 PolarHBondContact O-N 3.49Å; D150-C153 PolarHBondContact O-N 3.28Å; D150-D154 WeakPolarHBondContact O-CB 3.38Å; D150-D154 PolarHBondContact O-N 3.07Å; D150-K207 IonicContact OD1-NZ 3.79Å
151Y97.1Very high95.7Very high6 Ų638.6 Ų38.62%0.02420%0.196CC..Hα-helixtrans-59.2-44.9172.1167.7-101.7000112.6N147 M148 L149 C153 D154 I155 E359 M360 H363N147-Y151 WeakPolarHBondContact O-CB 3.38Å; N147-Y151 PolarHBondContact O-N 2.94Å; M148-Y151 WeakPolarHBondContact O-CB 3.32Å; M148-Y151 PolarHBondContact O-N 2.83Å; L149-Y151 VanDerWaalsContact C-N 3.31Å; L149-Y151 PolarHBondContact O-N 2.84Å; Y151-C153 VanDerWaalsContact C-N 3.33Å; Y151-C153 PolarHBondContact O-N 3.38Å; Y151-D154 WeakPolarHBondContact O-CB 3.04Å; Y151-D154 PolarHBondContact O-N 3.47Å; Y151-D154 VanDerWaalsContact O-N 3.15Å; Y151-I155 HydrophobicContact CD2-CG2 3.97Å; Y151-I155 HydrophobicContact CE1-CD1 3.92Å; Y151-I155 HydrophobicContact CE1-CG2 4.32Å; Y151-I155 HydrophobicContact CE2-CG2 3.43Å; Y151-I155 VanDerWaalsContact CE2-CG2 3.43Å; Y151-I155 PolarHBondContact O-N 3.36Å; Y151-E359 PolarHBondContact OH-OE1 2.76Å; Y151-M360 HydrophobicContact CD1-CG 4.3Å; Y151-M360 HydrophobicContact CD2-CG 4.23Å; Y151-M360 HydrophobicContact CG-CG 4.01Å; Y151-H363 HydrophobicContact CD2-CB 4.05Å; Y151-H363 AromaticContact CD2-CD2 3.7Å; Y151-H363 AromaticContact CD2-CG 3.76Å; Y151-H363 HydrophobicContact CE2-CB 3.73Å; Y151-H363 AromaticContact CE2-CG 3.6Å; Y151-H363 AromaticContact CE2-ND1 3.96Å
152F97.3Very high95.9Very high5 Ų538 Ų382%0.02219%0.193CC..Hα-helixtrans-64.1-37.7177.4-65-40.7000112.9K109 C130 V132 M148 L149 D150 D154 I155 R156 L159 N213K109-F152 HydrophobicContact CG-CE1 4.48Å; K109-F152 HydrophobicContact CG-CZ 4.23Å; C130-F152 HydrophobicContact CB-CE1 4.49Å; C130-F152 WeakPolarHBondContact O-CZ 3.1Å; V132-F152 HydrophobicContact CG2-CE2 3.88Å; V132-F152 HydrophobicContact CG2-CZ 4.28Å; M148-F152 HydrophobicContact CB-CE2 4.37Å; M148-F152 HydrophobicContact CE-CE2 4.34Å; M148-F152 HydrophobicContact CE-CZ 3.87Å; M148-F152 WeakPolarHBondContact O-CD2 3.23Å; M148-F152 WeakPolarHBondContact O-CG 3.35Å; M148-F152 PolarHBondContact O-N 3.17Å; L149-F152 HydrophobicContact CD2-CD2 4.41Å; L149-F152 PolarHBondContact O-N 3.03Å; D150-F152 PolarHBondContact O-N 3.49Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-I155 HydrophobicContact CD1-CD1 4.26Å; F152-I155 WeakPolarHBondContact O-CG1 3.37Å; F152-R156 PolarHBondContact O-N 3.02Å; F152-L159 HydrophobicContact CB-CD2 3.96Å; F152-L159 HydrophobicContact CD2-CD1 4.38Å; F152-L159 HydrophobicContact CD2-CD2 3.72Å; F152-L159 HydrophobicContact CE2-CD1 4.48Å; F152-L159 HydrophobicContact CE2-CD2 4.45Å; F152-L159 HydrophobicContact CG-CD2 3.96Å; F152-N213 PolarHBondContact O-ND2 3.41Å; F152-N213 VanDerWaalsContact O-ND2 3.17Å
153C96.8Very high96Very high10 Ų1034.2 Ų34.27%0.06818%0.177CC..Hα-helixtrans-65.4-36173.1-67.30000111.9L149 D150 Y151 R156 N213L149-C153 PolarHBondContact O-N 3.29Å; L149-C153 PolarHBondContact O-SG 3.21Å; D150-C153 PolarHBondContact O-N 3.28Å; Y151-C153 VanDerWaalsContact C-N 3.33Å; Y151-C153 PolarHBondContact O-N 3.38Å; C153-R156 WeakPolarHBondContact O-CD 3.38Å; C153-R156 PolarHBondContact O-NE 3.17Å; C153-R156 VanDerWaalsContact O-NE 3.07Å; C153-N213 HydrophobicContact CB-CB 4.44Å
154D95.3Very high96Very high71 Ų7132.7 Ų32.738%0.3816%0.159SC..Hα-helixtrans-69.8-43.5179.8-81.6-26.2000113.1D150 Y151 F152 R156 H363 K367D150-D154 WeakPolarHBondContact O-CB 3.38Å; D150-D154 PolarHBondContact O-N 3.07Å; Y151-D154 WeakPolarHBondContact O-CB 3.04Å; Y151-D154 PolarHBondContact O-N 3.47Å; Y151-D154 VanDerWaalsContact O-N 3.15Å; F152-D154 VanDerWaalsContact C-N 3.31Å; D154-R156 VanDerWaalsContact C-N 3.28Å; D154-R156 PolarHBondContact O-N 3.32Å; D154-H363 IonicContact OD2-NE2 2.65Å; D154-K367 IonicContact OD1-NZ 3.71Å; D154-K367 PolarHBondContact OD1-NZ 3.19Å; D154-K367 IonicContact OD2-NZ 3.12Å; D154-K367 PolarHBondContact OD2-NZ 3.1Å
155I94.4Very high96.1Very high39 Ų3931 Ų3120%0.215%0.152CC..Hα-helixtrans-74-18.2-177.364.3172.4000113.5R41 Y151 F152 E157R41-I155 HydrophobicContact CG-CD1 4.13Å; Y151-I155 HydrophobicContact CD2-CG2 3.97Å; Y151-I155 HydrophobicContact CE1-CD1 3.92Å; Y151-I155 HydrophobicContact CE1-CG2 4.32Å; Y151-I155 HydrophobicContact CE2-CG2 3.43Å; Y151-I155 VanDerWaalsContact CE2-CG2 3.43Å; Y151-I155 PolarHBondContact O-N 3.36Å; F152-I155 HydrophobicContact CD1-CD1 4.26Å; F152-I155 WeakPolarHBondContact O-CG1 3.37Å; I155-E157 HydrophobicContact CD1-CB 4.03Å; I155-E157 HydrophobicContact CD1-CG 4.23Å; I155-E157 HydrophobicContact CG1-CB 4.21Å; I155-E157 HydrophobicContact CG1-CG 4.39Å; I155-E157 PolarHBondContact O-N 3.35Å
156R91.4Very high96.1Very high137 Ų13731 Ų3152%0.51715%0.152SC..  trans55.715.5178.5-59.9-69.3-179.3178.1-7.6115.5F152 C153 D154 G211 D212F152-R156 PolarHBondContact O-N 3.02Å; C153-R156 WeakPolarHBondContact O-CD 3.38Å; C153-R156 PolarHBondContact O-NE 3.17Å; C153-R156 VanDerWaalsContact O-NE 3.07Å; D154-R156 VanDerWaalsContact C-N 3.28Å; D154-R156 PolarHBondContact O-N 3.32Å; R156-G211 PolarHBondContact NH1-O 3.01Å; R156-G211 PolarHBondContact NH2-O 3.34Å; R156-D212 PolarHBondContact NH1-O 3.35Å; R156-D212 IonicContact NH1-OD2 3.3Å
157E91.8Very high95.8Very high76 Ų7629.6 Ų29.636%0.35515%0.154SC..  trans-74.1140.1170.6-70.6-70.4175.200109.6I155 L159I155-E157 HydrophobicContact CD1-CB 4.03Å; I155-E157 HydrophobicContact CD1-CG 4.23Å; I155-E157 HydrophobicContact CG1-CB 4.21Å; I155-E157 HydrophobicContact CG1-CG 4.39Å; I155-E157 PolarHBondContact O-N 3.35Å; E157-L159 PolarHBondContact O-N 2.92Å
158P93.2Very high95.7Very high44 Ų4427.5 Ų27.529%0.28615%0.145SC..  trans-61.4127-179.8-22.631.9000112.8G77 R79 L107G77-P158 WeakPolarHBondContact O-CB 3.4Å; R79-P158 HydrophobicContact CG-CB 4.19Å; L107-P158 HydrophobicContact CD1-CB 4.17Å; L107-P158 HydrophobicContact CD2-CB 4.11Å; L107-P158 WeakPolarHBondContact CD2-O 3.43Å
159L95.9Very high95.6Very high6 Ų628.2 Ų28.23%0.03115%0.149CC..  trans-109130.5-175.6174.264.1000111.1R79 S80 K109 F152 E157 L161 L208R79-L159 CarbonylContact C-O 3.59Å; R79-L159 VanDerWaalsContact CA-O 3.31Å; R79-L159 WeakPolarHBondContact CA-O 3.34Å; S80-L159 PolarHBondContact N-O 3.46Å; K109-L159 HydrophobicContact CB-CD1 3.78Å; K109-L159 HydrophobicContact CG-CD1 3.34Å; F152-L159 HydrophobicContact CB-CD2 3.96Å; F152-L159 HydrophobicContact CD2-CD1 4.38Å; F152-L159 HydrophobicContact CD2-CD2 3.72Å; F152-L159 HydrophobicContact CE2-CD1 4.48Å; F152-L159 HydrophobicContact CE2-CD2 4.45Å; F152-L159 HydrophobicContact CG-CD2 3.96Å; E157-L159 PolarHBondContact O-N 2.92Å; L159-L161 HydrophobicContact CD1-CB 4.21Å; L159-L161 HydrophobicContact CD2-CB 4.14Å; L159-L161 HydrophobicContact CG-CB 4.04Å; L159-L208 HydrophobicContact CD2-CD1 4.1Å; L159-L208 HydrophobicContact CD2-CD2 3.99Å
160Q97.6Very high95.6Very high0 Ų028.9 Ų28.90%015%0.152CC..EExtended strand (participates in β ladder)trans-116.792.1165.9-66.1-166.4-18.800109.6E78 S80 I82 S103 L107 E108 K109E78-Q160 PolarHBondContact O-NE2 2.57Å; S80-Q160 CarbonylContact O-C 3.53Å; S80-Q160 VanDerWaalsContact O-CA 3.31Å; S80-Q160 WeakPolarHBondContact O-CA 3.23Å; I82-Q160 HydrophobicContact CD1-CB 4.08Å; S103-Q160 PolarHBondContact OG-NE2 3.05Å; S103-Q160 PolarHBondContact OG-OE1 3.25Å; L107-Q160 HydrophobicContact CB-CB 4.36Å; L107-Q160 HydrophobicContact CB-CG 4.08Å; L107-Q160 PolarHBondContact O-N 3.22Å; E108-Q160 VanDerWaalsContact CA-O 3.32Å; E108-Q160 WeakPolarHBondContact CA-O 3.34Å; K109-Q160 PolarHBondContact N-O 3.45Å
161L98.3Very high95.6Very high0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-92.8109.3-172.1-177.359.7000111.4S80 I82 K109 V132 L149 L159 I204S80-L161 PolarHBondContact O-N 3.02Å; I82-L161 PolarHBondContact N-O 3.41Å; K109-L161 HydrophobicContact CB-CD1 3.96Å; K109-L161 CarbonylContact O-C 3.38Å; K109-L161 WeakPolarHBondContact O-CA 3.39Å; V132-L161 HydrophobicContact CG2-CD1 4.19Å; L149-L161 HydrophobicContact CD2-CD2 3.96Å; L159-L161 HydrophobicContact CD1-CB 4.21Å; L159-L161 HydrophobicContact CD2-CB 4.14Å; L159-L161 HydrophobicContact CG-CB 4.04Å; L161-I204 HydrophobicContact CD2-CD1 4.18Å; L161-I204 HydrophobicContact CD2-CG1 4.44Å; L161-I204 HydrophobicContact CD2-CG2 3.72Å
162L98.3Very high95.5Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-80.9129.8174.6176.964.6000111.6I82 M84 W92 L95 K109 I110 C111 F164I82-L162 HydrophobicContact CB-CD1 4.14Å; I82-L162 HydrophobicContact CG2-CD1 3.79Å; I82-L162 WeakPolarHBondContact O-CA 3.47Å; M84-L162 HydrophobicContact CB-CD1 4.23Å; W92-L162 HydrophobicContact CB-CD2 3.98Å; L95-L162 HydrophobicContact CD2-CD1 3.78Å; L95-L162 HydrophobicContact CD2-CD2 3.77Å; L95-L162 HydrophobicContact CD2-CG 4.26Å; K109-L162 PolarHBondContact O-N 3.31Å; I110-L162 HydrophobicContact CD1-CD2 4.3Å; I110-L162 HydrophobicContact CG1-CB 4.22Å; I110-L162 HydrophobicContact CG1-CD2 4.27Å; I110-L162 HydrophobicContact CG2-CB 4.22Å; I110-L162 HydrophobicContact CG2-CD2 3.96Å; I110-L162 HydrophobicContact CG2-CG 4.24Å; C111-L162 PolarHBondContact N-O 3.19Å; L162-F164 HydrophobicContact CD1-CE2 4.46Å; L162-F164 HydrophobicContact CD1-CZ 4.38Å; L162-F164 HydrophobicContact CD2-CE2 3.84Å; L162-F164 HydrophobicContact CD2-CZ 4Å; L162-F164 HydrophobicContact CG-CE2 4.09Å; L162-F164 HydrophobicContact CG-CZ 4.4Å
163L96.6Very high95.5Very high12 Ų1241.1 Ų41.16%0.06321%0.214CC..EExtended strand (participates in β ladder)trans-135.9155164.969.4152.1000112.3V81 I82 I83 M84 C111 P165 F201 I204V81-L163 HydrophobicContact CG1-CD2 3.25Å; I82-L163 WeakPolarHBondContact O-CD2 3.07Å; I82-L163 PolarHBondContact O-N 3.4Å; I83-L163 HydrophobicContact CG2-CD1 4.4Å; I83-L163 HydrophobicContact CG2-CD2 3.77Å; I83-L163 HydrophobicContact CG2-CG 3.98Å; M84-L163 PolarHBondContact N-O 3.46Å; C111-L163 HydrophobicContact CB-CB 4.37Å; L163-P165 HydrophobicContact CD1-CG 4.02Å; L163-P165 HydrophobicContact CG-CG 4.37Å; L163-P165 WeakPolarHBondContact O-CD 3.38Å; L163-F201 HydrophobicContact CD1-CB 3.81Å; L163-F201 HydrophobicContact CD1-CD2 4.26Å; L163-I204 HydrophobicContact CD1-CD1 4.38Å
164F97Very high95.5Very high26 Ų2641.6 Ų41.611%0.11422%0.216CC..  trans-112.695.3170.7-62.3-85.3000108.4M84 H86 D91 W92 L162 E166 G167M84-F164 HydrophobicContact CB-CD1 4.21Å; M84-F164 HydrophobicContact CB-CE1 3.9Å; M84-F164 HydrophobicContact CE-CE1 3.44Å; M84-F164 VanDerWaalsContact CE-CE1 3.44Å; M84-F164 HydrophobicContact CE-CZ 3.54Å; M84-F164 HydrophobicContact CG-CE1 4.28Å; M84-F164 VanDerWaalsContact O-CD1 3.31Å; M84-F164 WeakPolarHBondContact O-CD1 3.31Å; H86-F164 HydrophobicContact CB-CB 4.09Å; H86-F164 HydrophobicContact CB-CD1 3.5Å; H86-F164 VanDerWaalsContact CB-CD1 3.5Å; H86-F164 HydrophobicContact CB-CE1 4.17Å; H86-F164 HydrophobicContact CB-CG 4Å; H86-F164 AromaticContact CG-CD1 3.59Å; H86-F164 AromaticContact CG-CE1 3.99Å; H86-F164 AromaticContact CG-CG 3.86Å; H86-F164 AromaticContact ND1-CD1 3.81Å; H86-F164 AromaticContact ND1-CE1 3.7Å; D91-F164 HydrophobicContact CB-CE1 4.07Å; D91-F164 HydrophobicContact CB-CZ 4.1Å; W92-F164 HydrophobicContact CB-CE2 4.16Å; W92-F164 HydrophobicContact CB-CZ 4.24Å; L162-F164 HydrophobicContact CD1-CE2 4.46Å; L162-F164 HydrophobicContact CD1-CZ 4.38Å; L162-F164 HydrophobicContact CD2-CE2 3.84Å; L162-F164 HydrophobicContact CD2-CZ 4Å; L162-F164 HydrophobicContact CG-CE2 4.09Å; L162-F164 HydrophobicContact CG-CZ 4.4Å; F164-E166 PolarHBondContact O-N 3.33Å; F164-G167 PolarHBondContact O-N 3.46Å
165P96.3Very high95.6Very high5 Ų539.8 Ų39.83%0.03221%0.205CC..THydrogen-bonded Turntrans-52-26.2177.3-32.238.4000114.5I83 L163 G167 P196 R197 W271I83-P165 HydrophobicContact CB-CG 4.27Å; I83-P165 HydrophobicContact CG2-CG 4.08Å; L163-P165 HydrophobicContact CD1-CG 4.02Å; L163-P165 HydrophobicContact CG-CG 4.37Å; L163-P165 WeakPolarHBondContact O-CD 3.38Å; P165-G167 PolarHBondContact O-N 3.04Å; P165-P196 HydrophobicContact CB-CB 3.72Å; P165-R197 WeakPolarHBondContact O-CA 3.38Å; P165-R197 WeakPolarHBondContact O-CB 3.33Å; P165-R197 PolarHBondContact O-N 3.46Å; P165-W271 HydrophobicContact CB-CH2 3.61Å; P165-W271 HydrophobicContact CB-CZ2 3.82Å; P165-W271 HydrophobicContact CB-CZ3 4.05Å; P165-W271 HydrophobicContact CG-CH2 3.27Å; P165-W271 HydrophobicContact CG-CZ2 3.93Å; P165-W271 HydrophobicContact CG-CZ3 3.77Å
166E95.4Very high95.8Very high5 Ų540.7 Ų40.72%0.02322%0.219CC..THydrogen-bonded Turntrans-58.4-26.4172-63.8-176.2-131.500113.4N85 H86 F164 T168 L194 W271N85-E166 WeakPolarHBondContact CA-OE1 3.38Å; N85-E166 VanDerWaalsContact CB-OE1 3.23Å; N85-E166 WeakPolarHBondContact CB-OE1 3.32Å; H86-E166 HydrophobicContact CB-CB 4.46Å; H86-E166 PolarHBondContact N-OE1 3.42Å; F164-E166 PolarHBondContact O-N 3.33Å; E166-T168 PolarHBondContact O-N 3.4Å; E166-T168 VanDerWaalsContact O-N 3.13Å; E166-L194 HydrophobicContact CB-CB 4.11Å; E166-L194 HydrophobicContact CB-CD1 4.43Å; E166-L194 HydrophobicContact CG-CB 4Å; E166-L194 WeakPolarHBondContact OE2-CB 3.18Å; E166-L194 WeakPolarHBondContact OE2-CG 3.45Å; E166-L194 PolarHBondContact OE2-N 2.94Å; E166-W271 HydrophobicContact CG-CZ2 4.06Å; E166-W271 VanDerWaalsContact CG-NE1 3.26Å; E166-W271 PolarHBondContact OE1-NE1 3.2Å
167G91.9Very high96.1Very high34 Ų3440.5 Ų40.535%0.35122%0.222SC..SBendtrans74-8.2178.300000115.4R136 F164 P165R136-G167 PolarHBondContact NH1-O 3.12Å; F164-G167 PolarHBondContact O-N 3.46Å; P165-G167 PolarHBondContact O-N 3.04Å
168T93.4Very high96.3Very high39 Ų3937.5 Ų37.524%0.23921%0.209CC..SBendtrans-161.6162.3176.9-164.80000109.8E166 T174 L194E166-T168 PolarHBondContact O-N 3.4Å; E166-T168 VanDerWaalsContact O-N 3.13Å; T168-T174 HydrophobicContact CG2-CG2 3.49Å; T168-T174 VanDerWaalsContact CG2-CG2 3.49Å; T168-L194 HydrophobicContact CG2-CD1 3.6Å
169D95.4Very high96.5Very high16 Ų1636.7 Ų36.79%0.08620%0.202CC..  trans-73.7153.4176.261.2-50.3000112.9H86 R89 T171 T174 Q230H86-D169 PolarHBondContact CD2-N 3.41Å; H86-D169 VanDerWaalsContact CD2-N 3.3Å; H86-D169 CarbonylContact O-C 3.59Å; H86-D169 VanDerWaalsContact O-CA 3.24Å; H86-D169 WeakPolarHBondContact O-CA 3.48Å; R89-D169 HydrophobicContact CG-CB 4.19Å; R89-D169 VanDerWaalsContact CG-CG 3.44Å; R89-D169 VanDerWaalsContact CG-OD2 3.23Å; R89-D169 WeakPolarHBondContact CG-OD2 3.33Å; D169-T171 PolarHBondContact O-N 3.49Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.47Å; D169-T174 PolarHBondContact O-OG1 2.9Å; D169-Q230 PolarHBondContact OD2-NE2 3.21Å
170L97Very high96.6Very high13 Ų1338.7 Ų38.77%0.06822%0.219CC..  trans-70.9114.1175.8-177.366.1000110.9H86 R87 K175 Y192 L194 Q230H86-L170 PolarHBondContact O-N 2.97Å; R87-L170 PolarHBondContact NH1-O 3.48Å; L170-K175 HydrophobicContact CD1-CB 4.04Å; L170-K175 HydrophobicContact CD1-CD 4.46Å; L170-Y192 WeakPolarHBondContact CD2-O 3.3Å; L170-L194 HydrophobicContact CD1-CD2 3.45Å; L170-L194 VanDerWaalsContact CD1-CD2 3.45Å; L170-L194 HydrophobicContact CD1-CG 3.93Å; L170-Q230 PolarHBondContact O-NE2 2.95Å
171T96.8Very high96.5Very high45 Ų4542.5 Ų42.528%0.27624%0.236SC..  trans-138.7164.7174.9660000108.1D169 N173 T174 K175D169-T171 PolarHBondContact O-N 3.49Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.47Å; T171-N173 VanDerWaalsContact C-N 3.25Å; T171-N173 PolarHBondContact O-N 3.5Å; T171-T174 PolarHBondContact N-OG1 3.24Å; T171-T174 PolarHBondContact O-N 3.34Å; T171-T174 PolarHBondContact O-OG1 2.95Å; T171-T174 WeakPolarHBondContact OG1-CG2 3.18Å; T171-T174 PolarHBondContact OG1-N 2.74Å; T171-T174 VanDerWaalsContact OG1-N 3.13Å; T171-T174 PolarHBondContact OG1-OG1 3.28Å; T171-K175 VanDerWaalsContact O-CB 3.23Å; T171-K175 WeakPolarHBondContact O-CB 3.33Å; T171-K175 PolarHBondContact O-N 2.69Å
172E96.1Very high96.4Very high183 Ų18342.5 Ų42.586%0.85524%0.236SC*.Hα-helixtrans-54.3-43.1176.3-66.3175-179.100112.3A176E172-A176 WeakPolarHBondContact O-CB 3.44Å; E172-A176 PolarHBondContact O-N 2.78Å
173N96.8Very high96.4Very high102 Ų10245.6 Ų45.655%0.54526%0.262SS..Hα-helixtrans-67.5-43.8179.1-179.227.9000112.7T171 K177T171-N173 VanDerWaalsContact C-N 3.25Å; T171-N173 PolarHBondContact O-N 3.5Å; N173-K177 WeakPolarHBondContact O-CG 3.48Å; N173-K177 PolarHBondContact O-N 2.96Å; N173-K177 WeakPolarHBondContact OD1-CE 3.42Å
174T96.7Very high96.4Very high20 Ų2052.3 Ų52.312%0.12329%0.293CS..Hα-helixtrans-72.3-33.818053.50000111.5T168 D169 T171 K177 S178T168-T174 HydrophobicContact CG2-CG2 3.49Å; T168-T174 VanDerWaalsContact CG2-CG2 3.49Å; D169-T174 PolarHBondContact O-OG1 2.9Å; T171-T174 PolarHBondContact N-OG1 3.24Å; T171-T174 PolarHBondContact O-N 3.34Å; T171-T174 PolarHBondContact O-OG1 2.95Å; T171-T174 WeakPolarHBondContact OG1-CG2 3.18Å; T171-T174 PolarHBondContact OG1-N 2.74Å; T171-T174 VanDerWaalsContact OG1-N 3.13Å; T171-T174 PolarHBondContact OG1-OG1 3.28Å; T174-K177 PolarHBondContact O-N 3.21Å; T174-S178 PolarHBondContact O-N 3Å
175K97.6Very high96.3Very high33 Ų3355 Ų5514%0.14331%0.309CS..Hα-helixtrans-62.7-47.9170.9177.8164.7165.549.70111.9L170 T171 K177 S178 D179 M190 E191 L194L170-K175 HydrophobicContact CD1-CB 4.04Å; L170-K175 HydrophobicContact CD1-CD 4.46Å; T171-K175 VanDerWaalsContact O-CB 3.23Å; T171-K175 WeakPolarHBondContact O-CB 3.33Å; T171-K175 PolarHBondContact O-N 2.69Å; K175-K177 PolarHBondContact O-N 2.75Å; K175-S178 CarbonylContact O-C 3.58Å; K175-S178 WeakPolarHBondContact O-CA 3.41Å; K175-S178 WeakPolarHBondContact O-CB 3.48Å; K175-S178 PolarHBondContact O-N 2.94Å; K175-D179 IonicContact NZ-OD1 3.57Å; K175-D179 IonicContact NZ-OD2 3.21Å; K175-D179 PolarHBondContact NZ-OD2 3.19Å; K175-D179 PolarHBondContact O-N 2.94Å; K175-M190 PolarHBondContact NZ-O 3.5Å; K175-E191 WeakPolarHBondContact CE-OE2 3.48Å; K175-E191 IonicContact NZ-OE2 3.04Å; K175-E191 PolarHBondContact NZ-OE2 3.06Å; K175-L194 HydrophobicContact CB-CD2 4.24Å
176A97.6Very high96.3Very high59 Ų5962.2 Ų62.249%0.48835%0.347SS..Hα-helixtrans-56.2-39.9176.900000112.4E172 D179 A180E172-A176 WeakPolarHBondContact O-CB 3.44Å; E172-A176 PolarHBondContact O-N 2.78Å; A176-D179 PolarHBondContact O-N 2.84Å; A176-A180 PolarHBondContact O-N 3.08Å
177K97.3Very high96.3Very high133 Ų13364.5 Ų64.558%0.57836%0.359SS*.Hα-helixtrans-67.8-40.4174.8-67.7176.1-175-179.20112.7N173 T174 K175 A180 F181N173-K177 WeakPolarHBondContact O-CG 3.48Å; N173-K177 PolarHBondContact O-N 2.96Å; N173-K177 WeakPolarHBondContact OD1-CE 3.42Å; T174-K177 PolarHBondContact O-N 3.21Å; K175-K177 PolarHBondContact O-N 2.75Å; K177-A180 PolarHBondContact O-N 3.03Å; K177-F181 PolarHBondContact O-N 2.82Å
178S97.1Very high96.4Very high13 Ų1367.4 Ų67.49%0.09137%0.371CS..Hα-helixtrans-64.7-39.8175.1-1780000111.7T174 K175 F181 A182 H195T174-S178 PolarHBondContact O-N 3Å; K175-S178 CarbonylContact O-C 3.58Å; K175-S178 WeakPolarHBondContact O-CA 3.41Å; K175-S178 WeakPolarHBondContact O-CB 3.48Å; K175-S178 PolarHBondContact O-N 2.94Å; S178-F181 WeakPolarHBondContact O-CB 3.22Å; S178-F181 PolarHBondContact O-N 2.79Å; S178-A182 WeakPolarHBondContact O-CB 3.37Å; S178-A182 PolarHBondContact O-N 3.23Å; S178-H195 PolarHBondContact OG-N 3.37Å; S178-H195 VanDerWaalsContact OG-N 3.08Å
179D97.7Very high96.6Very high27 Ų2772.2 Ų72.214%0.14439%0.389CS..Hα-helixtrans-68-37.4177.4-72.6-15.9000111.7K175 A176 A182 A183 K189K175-D179 IonicContact NZ-OD1 3.57Å; K175-D179 IonicContact NZ-OD2 3.21Å; K175-D179 PolarHBondContact NZ-OD2 3.19Å; K175-D179 PolarHBondContact O-N 2.94Å; A176-D179 PolarHBondContact O-N 2.84Å; D179-A182 PolarHBondContact O-N 3.05Å; D179-A183 PolarHBondContact O-N 2.76Å; D179-K189 HydrophobicContact CB-CD 4.22Å; D179-K189 HydrophobicContact CB-CG 4.37Å
180A97.4Very high96.7Very high47 Ų4772 Ų7239%0.38839%0.388SS..Hα-helixtrans-64.3-43.8172.500000111.8A176 K177 A182 A183 Q184A176-A180 PolarHBondContact O-N 3.08Å; K177-A180 PolarHBondContact O-N 3.03Å; A180-A182 VanDerWaalsContact C-N 3.33Å; A180-A182 PolarHBondContact O-N 3.01Å; A180-A183 PolarHBondContact O-N 3.04Å; A180-Q184 VanDerWaalsContact O-CG 3.32Å; A180-Q184 WeakPolarHBondContact O-CG 3.3Å; A180-Q184 PolarHBondContact O-N 3.49Å
181F95.9Very high96.7Very high81 Ų8176.3 Ų76.336%0.35541%0.408SS..Hα-helixtrans-59.8-43.9172.8170.3-95.7000111.5K177 S178 A183 Q184 N185 L187 H195K177-F181 PolarHBondContact O-N 2.82Å; S178-F181 WeakPolarHBondContact O-CB 3.22Å; S178-F181 PolarHBondContact O-N 2.79Å; F181-A183 PolarHBondContact O-N 3.39Å; F181-Q184 PolarHBondContact O-N 2.97Å; F181-N185 WeakPolarHBondContact CD2-ND2 3.28Å; F181-N185 VanDerWaalsContact CE2-ND2 3.28Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.36Å; F181-N185 PolarHBondContact O-N 3.2Å; F181-N185 VanDerWaalsContact O-N 3.12Å; F181-N185 PolarHBondContact O-ND2 3.31Å; F181-L187 HydrophobicContact CD1-CD1 4.43Å; F181-L187 HydrophobicContact CE1-CD1 3.73Å; F181-L187 HydrophobicContact CZ-CD1 4.42Å; F181-H195 HydrophobicContact CD1-CB 4.11Å; F181-H195 HydrophobicContact CE1-CB 4.14Å
182A96.5Very high96.8Very high0 Ų077.3 Ų77.30%041%0.407CS..Hα-helixtrans-61-46.3178.800000111.6S178 D179 A180 Q184 N185 N186 L187S178-A182 WeakPolarHBondContact O-CB 3.37Å; S178-A182 PolarHBondContact O-N 3.23Å; D179-A182 PolarHBondContact O-N 3.05Å; A180-A182 VanDerWaalsContact C-N 3.33Å; A180-A182 PolarHBondContact O-N 3.01Å; A182-Q184 PolarHBondContact O-N 3.31Å; A182-N185 CarbonylContact O-C 3.14Å; A182-N185 PolarHBondContact O-N 3.48Å; A182-N186 PolarHBondContact O-N 3.22Å; A182-L187 HydrophobicContact CB-CB 4.1Å; A182-L187 PolarHBondContact O-N 3.12Å
183A97.2Very high96.9Very high65 Ų6568.6 Ų68.654%0.53737%0.366SS..Hα-helixtrans-61.2-41.917700000112.7D179 A180 F181 N185 N186D179-A183 PolarHBondContact O-N 2.76Å; A180-A183 PolarHBondContact O-N 3.04Å; F181-A183 PolarHBondContact O-N 3.39Å; A183-N185 VanDerWaalsContact C-N 3.26Å; A183-N185 PolarHBondContact O-N 3.45Å; A183-N186 PolarHBondContact O-N 2.84Å
184Q97.1Very high96.9Very high153 Ų15364 Ų6472%0.71534%0.341SS*.Hα-helixtrans-66.1-27.6178.3-72.5171.812.700113.3A180 F181 A182A180-Q184 VanDerWaalsContact O-CG 3.32Å; A180-Q184 WeakPolarHBondContact O-CG 3.3Å; A180-Q184 PolarHBondContact O-N 3.49Å; F181-Q184 PolarHBondContact O-N 2.97Å; A182-Q184 PolarHBondContact O-N 3.31Å
185N95.1Very high97Very high83 Ų8363.9 Ų63.944%0.44434%0.339SS..THydrogen-bonded Turntrans-108.312.3-175.7-66.9-89.4000113F181 A182 A183 L187F181-N185 WeakPolarHBondContact CD2-ND2 3.28Å; F181-N185 VanDerWaalsContact CE2-ND2 3.28Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.36Å; F181-N185 PolarHBondContact O-N 3.2Å; F181-N185 VanDerWaalsContact O-N 3.12Å; F181-N185 PolarHBondContact O-ND2 3.31Å; A182-N185 CarbonylContact O-C 3.14Å; A182-N185 PolarHBondContact O-N 3.48Å; A183-N185 VanDerWaalsContact C-N 3.26Å; A183-N185 PolarHBondContact O-N 3.45Å; N185-L187 HydrophobicContact CB-CD1 4.05Å; N185-L187 HydrophobicContact CB-CG 4.04Å; N185-L187 PolarHBondContact O-N 3.32Å
186N95.5Very high96.9Very high155 Ų15562.7 Ų62.783%0.82934%0.335SS*.THydrogen-bonded Turntrans53.537-176.8-58.9-57.2000113.8A182 A183A182-N186 PolarHBondContact O-N 3.22Å; A183-N186 PolarHBondContact O-N 2.84Å
187L95.3Very high96.6Very high53 Ų5369 Ų6928%0.27735%0.346SS..PPolyproline II helixtrans-98.1151.8176.6-60.2173.7000110.7F181 A182 N185F181-L187 HydrophobicContact CD1-CD1 4.43Å; F181-L187 HydrophobicContact CE1-CD1 3.73Å; F181-L187 HydrophobicContact CZ-CD1 4.42Å; A182-L187 HydrophobicContact CB-CB 4.1Å; A182-L187 PolarHBondContact O-N 3.12Å; N185-L187 HydrophobicContact CB-CD1 4.05Å; N185-L187 HydrophobicContact CB-CG 4.04Å; N185-L187 PolarHBondContact O-N 3.32Å
188P95.8Very high96.4Very high95 Ų9562.8 Ų62.862%0.61732%0.32SS*.PPolyproline II helixtrans-64.4146.6173.127.7-34.7000111.1H195P188-H195 PolarHBondContact O-CE1 3.41Å; P188-H195 PolarHBondContact O-NE2 3.49Å
189K96.6Very high96.2Very high141 Ų14165.6 Ų65.661%0.61334%0.336SS*.PPolyproline II helixtrans-71.7138.5170.1-65.1-175.9-179.5-178.70109.7D179D179-K189 HydrophobicContact CB-CD 4.22Å; D179-K189 HydrophobicContact CB-CG 4.37Å
190M97.1Very high96.1Very high11 Ų1165.4 Ų65.45%0.05434%0.341CS..  trans-106.6139.7177.4-67.2173.1170.900109.1K175 V193 H195 W271 E275K175-M190 PolarHBondContact NZ-O 3.5Å; M190-V193 HydrophobicContact CB-CG2 4.01Å; M190-V193 WeakPolarHBondContact CB-O 3.47Å; M190-V193 HydrophobicContact CG-CG2 4.21Å; M190-V193 HydrophobicContact SD-CG2 3.63Å; M190-H195 WeakPolarHBondContact CE-CE1 3.42Å; M190-H195 WeakPolarHBondContact CE-ND1 3.47Å; M190-W271 HydrophobicContact CE-CB 4.28Å; M190-E275 HydrophobicContact CB-CG 4.47Å; M190-E275 HydrophobicContact CG-CG 4.36Å
191E97.6Very high96.1Very high104 Ų10463.2 Ų63.249%0.48632%0.323SS..SBendtrans-99.2-38.1-176.1-169.955.6-150.800112.5K175 E275K175-E191 WeakPolarHBondContact CE-OE2 3.48Å; K175-E191 IonicContact NZ-OE2 3.04Å; K175-E191 PolarHBondContact NZ-OE2 3.06Å; E191-E275 VanDerWaalsContact N-CD 3.33Å; E191-E275 PolarHBondContact N-OE1 3.48Å; E191-E275 VanDerWaalsContact N-OE1 3.13Å; E191-E275 PolarHBondContact N-OE2 3.1Å
192Y97.9Very high96.1Very high65 Ų6559.7 Ų59.726%0.25531%0.308SS..SBendtrans-106.4-6.2-171.1-59.4-78.1000114L170 E275 L278 R279 Y282L170-Y192 WeakPolarHBondContact CD2-O 3.3Å; Y192-E275 PolarHBondContact N-OE2 3Å; Y192-L278 HydrophobicContact CD1-CB 4.48Å; Y192-L278 HydrophobicContact CD2-CB 4.3Å; Y192-L278 HydrophobicContact CG-CB 3.87Å; Y192-R279 HydrophobicContact CD2-CB 4.06Å; Y192-R279 VanDerWaalsContact CE2-CA 3.44Å; Y192-R279 HydrophobicContact CE2-CB 3.67Å; Y192-R279 HydrophobicContact CE2-CG 4.02Å; Y192-Y282 AromaticContact CD1-CD2 3.4Å; Y192-Y282 HydrophobicContact CD1-CD2 3.4Å; Y192-Y282 AromaticContact CD1-CE2 3.8Å; Y192-Y282 HydrophobicContact CD1-CE2 3.8Å; Y192-Y282 HydrophobicContact CD1-CG 4.34Å; Y192-Y282 AromaticContact CE1-CD2 3.4Å; Y192-Y282 HydrophobicContact CE1-CD2 3.4Å; Y192-Y282 HydrophobicContact CE1-CE2 4.21Å; Y192-Y282 AromaticContact CE1-CG 3.92Å; Y192-Y282 HydrophobicContact CE1-CG 3.92Å; Y192-Y282 HydrophobicContact CG-CD2 4.27Å
193V98.1Very high96.2Very high1 Ų161 Ų611%0.00631%0.314CS..SBendtrans-142.5160.5176.5-63.20000110.7N85 M190 K274 E275 L278N85-V193 HydrophobicContact CB-CG1 3.81Å; M190-V193 HydrophobicContact CB-CG2 4.01Å; M190-V193 WeakPolarHBondContact CB-O 3.47Å; M190-V193 HydrophobicContact CG-CG2 4.21Å; M190-V193 HydrophobicContact SD-CG2 3.63Å; V193-K274 HydrophobicContact CG1-CB 4.23Å; V193-E275 HydrophobicContact CG2-CB 4.04Å; V193-L278 HydrophobicContact CG1-CD1 3.55Å
194L98.2Very high96.2Very high5 Ų558.1 Ų58.13%0.02629%0.289CS..PPolyproline II helixtrans-89.4155.3166-54176.2000110.6E166 T168 L170 K175 W271E166-L194 HydrophobicContact CB-CB 4.11Å; E166-L194 HydrophobicContact CB-CD1 4.43Å; E166-L194 HydrophobicContact CG-CB 4Å; E166-L194 WeakPolarHBondContact OE2-CB 3.18Å; E166-L194 WeakPolarHBondContact OE2-CG 3.45Å; E166-L194 PolarHBondContact OE2-N 2.94Å; T168-L194 HydrophobicContact CG2-CD1 3.6Å; L170-L194 HydrophobicContact CD1-CD2 3.45Å; L170-L194 VanDerWaalsContact CD1-CD2 3.45Å; L170-L194 HydrophobicContact CD1-CG 3.93Å; K175-L194 HydrophobicContact CB-CD2 4.24Å; L194-W271 PolarHBondContact O-NE1 2.97Å
195H97.4Very high96.2Very high17 Ų1750.9 Ų50.98%0.07926%0.255CS..PPolyproline II helixtrans-61.2131.9172.4-84.2-76.2000110.7S178 F181 P188 M190S178-H195 PolarHBondContact OG-N 3.37Å; S178-H195 VanDerWaalsContact OG-N 3.08Å; F181-H195 HydrophobicContact CD1-CB 4.11Å; F181-H195 HydrophobicContact CE1-CB 4.14Å; P188-H195 PolarHBondContact O-CE1 3.41Å; P188-H195 PolarHBondContact O-NE2 3.49Å; M190-H195 WeakPolarHBondContact CE-CE1 3.42Å; M190-H195 WeakPolarHBondContact CE-ND1 3.47Å
196P96.1Very high96.3Very high8 Ų848.7 Ų48.75%0.05224%0.244CC..PPolyproline II helixtrans-73.3141.5-176.130.1-34.6000111.6P165 R268 W271P165-P196 HydrophobicContact CB-CB 3.72Å; P196-R268 HydrophobicContact CG-CG 4.24Å; P196-W271 HydrophobicContact CB-CD2 3.71Å; P196-W271 HydrophobicContact CB-CE3 4.03Å; P196-W271 HydrophobicContact CB-CG 3.97Å; P196-W271 HydrophobicContact CG-CB 3.85Å; P196-W271 HydrophobicContact CG-CD2 3.83Å; P196-W271 HydrophobicContact CG-CE3 4.18Å; P196-W271 HydrophobicContact CG-CG 3.65Å
197R92.1Very high96.4Very high191 Ų19143.3 Ų43.372%0.72121%0.213SC*.  trans-93.197166.5-58.5-177.5-178.2-151.4-3.9108.4P165 T199P165-R197 WeakPolarHBondContact O-CA 3.38Å; P165-R197 WeakPolarHBondContact O-CB 3.33Å; P165-R197 PolarHBondContact O-N 3.46Å; R197-T199 PolarHBondContact O-N 2.91Å
198S92.6Very high96.5Very high4 Ų440.9 Ų40.93%0.02820%0.2CC..Hα-helixtrans-74.3-21.5-169.651.50000114.9G200 F201 T202 E264S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 2.94Å; S198-F201 CarbonylContact O-C 3.39Å; S198-F201 WeakPolarHBondContact O-CA 3.37Å; S198-F201 WeakPolarHBondContact O-CB 3.24Å; S198-F201 PolarHBondContact O-N 3.28Å; S198-T202 WeakPolarHBondContact O-CG2 3.41Å; S198-T202 PolarHBondContact O-N 3.44Å; S198-T202 PolarHBondContact O-OG1 3.2Å; S198-E264 VanDerWaalsContact OG-CG 3.23Å; S198-E264 WeakPolarHBondContact OG-CG 3.42Å
199T94.2Very high96.6Very high71 Ų7139 Ų3944%0.43618%0.181SC..Hα-helixtrans-53-46.2-171.7-46.50000113.7W138 R197 T202 F203W138-T199 HydrophobicContact CD2-CG2 3.73Å; W138-T199 HydrophobicContact CE3-CG2 3.94Å; W138-T199 HydrophobicContact CG-CG2 4.2Å; W138-T199 HydrophobicContact CH2-CG2 4.4Å; W138-T199 HydrophobicContact CZ2-CG2 4.18Å; W138-T199 HydrophobicContact CZ3-CG2 4.28Å; R197-T199 PolarHBondContact O-N 2.91Å; T199-T202 PolarHBondContact O-OG1 3.38Å; T199-F203 WeakPolarHBondContact O-CB 3.48Å; T199-F203 PolarHBondContact O-N 3.38Å; T199-F203 VanDerWaalsContact O-N 3.16Å
200G94.4Very high96.5Very high24 Ų2439.3 Ų39.325%0.24718%0.182CC..Hα-helixtrans-67.9-38.6177.600000112.3S198 I204S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 2.94Å; G200-I204 WeakPolarHBondContact O-CB 3.41Å; G200-I204 WeakPolarHBondContact O-CD1 3.27Å; G200-I204 WeakPolarHBondContact O-CG1 3.38Å; G200-I204 PolarHBondContact O-N 2.99Å
201F96.7Very high96.5Very high1 Ų139.7 Ų39.70%0.00419%0.189CC..Hα-helixtrans-63.1-51.5176.9167.3-104.5000111.7V81 I83 L163 S198 F203 I204 V205 V217 L263 W266 C267V81-F201 HydrophobicContact CG1-CD2 4.44Å; V81-F201 HydrophobicContact CG1-CE2 4.41Å; I83-F201 HydrophobicContact CD1-CE2 4.3Å; I83-F201 HydrophobicContact CG2-CD2 3.62Å; I83-F201 HydrophobicContact CG2-CE2 3.73Å; L163-F201 HydrophobicContact CD1-CB 3.81Å; L163-F201 HydrophobicContact CD1-CD2 4.26Å; S198-F201 CarbonylContact O-C 3.39Å; S198-F201 WeakPolarHBondContact O-CA 3.37Å; S198-F201 WeakPolarHBondContact O-CB 3.24Å; S198-F201 PolarHBondContact O-N 3.28Å; F201-F203 VanDerWaalsContact C-N 3.32Å; F201-F203 PolarHBondContact O-N 3.14Å; F201-I204 PolarHBondContact O-N 3.32Å; F201-V205 HydrophobicContact CD2-CG2 3.92Å; F201-V205 HydrophobicContact CE1-CG2 4.46Å; F201-V205 HydrophobicContact CE2-CG2 3.48Å; F201-V205 VanDerWaalsContact CE2-CG2 3.48Å; F201-V205 HydrophobicContact CZ-CG2 3.78Å; F201-V205 WeakPolarHBondContact O-CG2 3.4Å; F201-V205 PolarHBondContact O-N 2.86Å; F201-V217 HydrophobicContact CE2-CG1 4.34Å; F201-V217 HydrophobicContact CE2-CG2 4.36Å; F201-L263 HydrophobicContact CE1-CD2 4.47Å; F201-W266 AromaticContact CE1-CE3 3.89Å; F201-W266 HydrophobicContact CE1-CE3 3.89Å; F201-W266 HydrophobicContact CE1-CZ3 4.06Å; F201-W266 HydrophobicContact CE2-CZ3 4.25Å; F201-W266 AromaticContact CZ-CE3 3.71Å; F201-W266 HydrophobicContact CZ-CE3 3.71Å; F201-W266 AromaticContact CZ-CZ3 3.44Å; F201-W266 HydrophobicContact CZ-CZ3 3.44Å; F201-W266 VanDerWaalsContact CZ-CZ3 3.44Å; F201-C267 HydrophobicContact CD1-CB 3.75Å; F201-C267 HydrophobicContact CE1-CB 3.8Å
202T97.4Very high96.4Very high7 Ų739.6 Ų39.64%0.04319%0.192CC..Hα-helixtrans-62.9-41.7-177.659.50000111S198 T199 D206 S260 L263 E264S198-T202 WeakPolarHBondContact O-CG2 3.41Å; S198-T202 PolarHBondContact O-N 3.44Å; S198-T202 PolarHBondContact O-OG1 3.2Å; T199-T202 PolarHBondContact O-OG1 3.38Å; T202-D206 VanDerWaalsContact O-CB 3.25Å; T202-D206 WeakPolarHBondContact O-CB 3.46Å; T202-D206 PolarHBondContact O-N 3.49Å; T202-S260 PolarHBondContact OG1-OG 3.03Å; T202-L263 HydrophobicContact CG2-CB 3.78Å; T202-E264 HydrophobicContact CG2-CB 4.1Å
203F97.3Very high96.3Very high28 Ų2836.5 Ų36.512%0.12318%0.18CC..Hα-helixtrans-62.4-47.2176.1-176.5-100.8000112.8W138 L145 E146 L149 T199 F201 D206 K207W138-F203 HydrophobicContact CH2-CB 3.66Å; W138-F203 AromaticContact CH2-CD1 3.89Å; W138-F203 HydrophobicContact CH2-CD1 3.89Å; W138-F203 AromaticContact CH2-CD2 3.7Å; W138-F203 HydrophobicContact CH2-CD2 3.7Å; W138-F203 HydrophobicContact CH2-CE1 4.42Å; W138-F203 HydrophobicContact CH2-CE2 4.27Å; W138-F203 AromaticContact CH2-CG 3.48Å; W138-F203 HydrophobicContact CH2-CG 3.48Å; W138-F203 VanDerWaalsContact CH2-CG 3.48Å; W138-F203 HydrophobicContact CZ2-CD2 4.17Å; W138-F203 HydrophobicContact CZ2-CG 4.37Å; W138-F203 HydrophobicContact CZ3-CB 4.25Å; W138-F203 HydrophobicContact CZ3-CD1 4.43Å; W138-F203 HydrophobicContact CZ3-CG 4.3Å; L145-F203 HydrophobicContact CB-CE1 4.36Å; L145-F203 HydrophobicContact CD2-CD1 3.68Å; L145-F203 HydrophobicContact CD2-CE1 4.1Å; L145-F203 HydrophobicContact CG-CD1 4.04Å; L145-F203 HydrophobicContact CG-CE1 4Å; E146-F203 HydrophobicContact CB-CE1 4.29Å; E146-F203 HydrophobicContact CB-CZ 3.88Å; E146-F203 HydrophobicContact CG-CZ 4.29Å; L149-F203 HydrophobicContact CD1-CD1 4Å; L149-F203 HydrophobicContact CD1-CE1 3.9Å; T199-F203 WeakPolarHBondContact O-CB 3.48Å; T199-F203 PolarHBondContact O-N 3.38Å; T199-F203 VanDerWaalsContact O-N 3.16Å; F201-F203 VanDerWaalsContact C-N 3.32Å; F201-F203 PolarHBondContact O-N 3.14Å; F203-D206 PolarHBondContact O-N 3.37Å; F203-K207 HydrophobicContact CD1-CG 4.33Å; F203-K207 HydrophobicContact CD2-CG 4.44Å; F203-K207 HydrophobicContact CE1-CG 3.97Å; F203-K207 HydrophobicContact CE2-CG 4.09Å; F203-K207 HydrophobicContact CZ-CD 4.44Å; F203-K207 HydrophobicContact CZ-CG 3.84Å; F203-K207 VanDerWaalsContact O-CB 3.32Å; F203-K207 WeakPolarHBondContact O-CB 3.14Å; F203-K207 WeakPolarHBondContact O-CG 3.36Å; F203-K207 PolarHBondContact O-N 3.41Å
204I97.8Very high96.3Very high4 Ų436.8 Ų36.82%0.02118%0.181CC..Hα-helixtrans-60.6-49.2178.8-73.5165.2000110.7V81 L145 L149 L161 L163 G200 F201 K207 L208V81-I204 HydrophobicContact CG1-CG2 4.43Å; V81-I204 HydrophobicContact CG2-CG2 3.7Å; L145-I204 HydrophobicContact CD1-CD1 4.33Å; L145-I204 HydrophobicContact CD1-CG1 4.2Å; L145-I204 HydrophobicContact CD2-CD1 4.39Å; L145-I204 HydrophobicContact CD2-CG1 4.09Å; L145-I204 HydrophobicContact CG-CG1 4.45Å; L149-I204 HydrophobicContact CD1-CB 4.4Å; L149-I204 HydrophobicContact CD1-CG1 3.98Å; L149-I204 HydrophobicContact CD2-CG1 4.4Å; L149-I204 HydrophobicContact CD2-CG2 4.34Å; L161-I204 HydrophobicContact CD2-CD1 4.18Å; L161-I204 HydrophobicContact CD2-CG1 4.44Å; L161-I204 HydrophobicContact CD2-CG2 3.72Å; L163-I204 HydrophobicContact CD1-CD1 4.38Å; G200-I204 WeakPolarHBondContact O-CB 3.41Å; G200-I204 WeakPolarHBondContact O-CD1 3.27Å; G200-I204 WeakPolarHBondContact O-CG1 3.38Å; G200-I204 PolarHBondContact O-N 2.99Å; F201-I204 PolarHBondContact O-N 3.32Å; I204-K207 PolarHBondContact O-N 3.09Å; I204-L208 HydrophobicContact CG2-CD1 3.76Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.48Å; I204-L208 PolarHBondContact O-N 2.97Å
205V98Very high96.3Very high0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-61.9-46.8-179.2168.30000111V81 F201 R209 L214 V217 L256 L263V81-V205 HydrophobicContact CG1-CG2 4.39Å; V81-V205 HydrophobicContact CG2-CG2 4.42Å; F201-V205 HydrophobicContact CD2-CG2 3.92Å; F201-V205 HydrophobicContact CE1-CG2 4.46Å; F201-V205 HydrophobicContact CE2-CG2 3.48Å; F201-V205 VanDerWaalsContact CE2-CG2 3.48Å; F201-V205 HydrophobicContact CZ-CG2 3.78Å; F201-V205 WeakPolarHBondContact O-CG2 3.4Å; F201-V205 PolarHBondContact O-N 2.86Å; V205-R209 WeakPolarHBondContact O-CB 3.49Å; V205-R209 PolarHBondContact O-N 3.1Å; V205-L214 HydrophobicContact CB-CD2 4.36Å; V205-L214 HydrophobicContact CG1-CD2 3.83Å; V205-L214 HydrophobicContact CG2-CD2 4.49Å; V205-V217 HydrophobicContact CG2-CG2 4.13Å; V205-L256 HydrophobicContact CG1-CD1 4.22Å; V205-L263 HydrophobicContact CB-CD1 4.42Å; V205-L263 HydrophobicContact CG1-CD1 3.9Å; V205-L263 HydrophobicContact CG1-CD2 4.12Å
206D97.1Very high96.3Very high38 Ų3838 Ų3820%0.20319%0.188CC..Hα-helixtrans-62.2-46.5179.5179.864.3000112T202 F203 R209 K210T202-D206 VanDerWaalsContact O-CB 3.25Å; T202-D206 WeakPolarHBondContact O-CB 3.46Å; T202-D206 PolarHBondContact O-N 3.49Å; F203-D206 PolarHBondContact O-N 3.37Å; D206-R209 PolarHBondContact O-N 3.39Å; D206-K210 VanDerWaalsContact CG-NZ 3.27Å; D206-K210 WeakPolarHBondContact O-CB 3Å; D206-K210 VanDerWaalsContact O-CG 3.31Å; D206-K210 WeakPolarHBondContact O-CG 3.3Å; D206-K210 PolarHBondContact O-N 3.46Å; D206-K210 WeakPolarHBondContact OD1-CE 3.24Å; D206-K210 IonicContact OD1-NZ 3.28Å; D206-K210 PolarHBondContact OD1-NZ 3.48Å; D206-K210 VanDerWaalsContact OD1-NZ 3.08Å; D206-K210 WeakPolarHBondContact OD2-CE 3.26Å; D206-K210 IonicContact OD2-NZ 2.74Å; D206-K210 PolarHBondContact OD2-NZ 3.09Å
207K97.3Very high96.4Very high41 Ų4137.6 Ų37.618%0.17819%0.185CC..Hα-helixtrans-63.7-49.5179-83-71.3-169162.30112.7E146 L149 D150 F203 I204 R209 K210 G211E146-K207 VanDerWaalsContact OE1-CE 3.31Å; E146-K207 WeakPolarHBondContact OE1-CE 3.43Å; E146-K207 IonicContact OE1-NZ 2.65Å; E146-K207 PolarHBondContact OE1-NZ 3.39Å; L149-K207 HydrophobicContact CB-CB 4.38Å; L149-K207 HydrophobicContact CD1-CB 3.79Å; L149-K207 HydrophobicContact CD1-CG 4.22Å; D150-K207 IonicContact OD1-NZ 3.79Å; F203-K207 HydrophobicContact CD1-CG 4.33Å; F203-K207 HydrophobicContact CD2-CG 4.44Å; F203-K207 HydrophobicContact CE1-CG 3.97Å; F203-K207 HydrophobicContact CE2-CG 4.09Å; F203-K207 HydrophobicContact CZ-CD 4.44Å; F203-K207 HydrophobicContact CZ-CG 3.84Å; F203-K207 VanDerWaalsContact O-CB 3.32Å; F203-K207 WeakPolarHBondContact O-CB 3.14Å; F203-K207 WeakPolarHBondContact O-CG 3.36Å; F203-K207 PolarHBondContact O-N 3.41Å; I204-K207 PolarHBondContact O-N 3.09Å; K207-R209 VanDerWaalsContact C-N 3.32Å; K207-R209 PolarHBondContact O-N 3.46Å; K207-K210 PolarHBondContact O-N 3.22Å; K207-G211 PolarHBondContact O-N 3.06Å
208L97.7Very high96.7Very high2 Ų228.5 Ų28.51%0.0115%0.151CC..Hα-helixtrans-66.3-36.1179.3-66.9176.3000111.7V81 L149 L159 I204 G211 D212 N213 L214V81-L208 HydrophobicContact CG2-CD1 3.62Å; L149-L208 HydrophobicContact CD2-CD1 4.3Å; L149-L208 HydrophobicContact CD2-CD2 3.9Å; L149-L208 HydrophobicContact CD2-CG 4.03Å; L159-L208 HydrophobicContact CD2-CD1 4.1Å; L159-L208 HydrophobicContact CD2-CD2 3.99Å; I204-L208 HydrophobicContact CG2-CD1 3.76Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.48Å; I204-L208 PolarHBondContact O-N 2.97Å; L208-G211 PolarHBondContact O-N 2.93Å; L208-D212 PolarHBondContact O-N 2.63Å; L208-N213 HydrophobicContact CD2-CB 4.36Å; L208-N213 CarbonylContact O-C 3.59Å; L208-N213 WeakPolarHBondContact O-CA 3.21Å; L208-N213 PolarHBondContact O-N 2.9Å; L208-L214 HydrophobicContact CB-CB 3.91Å
209R96.4Very high97Very high55 Ų5528.3 Ų28.321%0.20815%0.15CC..Hα-helixtrans-62.6-49.1173.7-176.4-170.1-64.4160.2-8.6111.5V205 D206 K207 G211 D212 L214 V253 P257 S258V205-R209 WeakPolarHBondContact O-CB 3.49Å; V205-R209 PolarHBondContact O-N 3.1Å; D206-R209 PolarHBondContact O-N 3.39Å; K207-R209 VanDerWaalsContact C-N 3.32Å; K207-R209 PolarHBondContact O-N 3.46Å; R209-G211 VanDerWaalsContact C-N 3.27Å; R209-G211 PolarHBondContact O-N 3.02Å; R209-D212 PolarHBondContact O-N 3.34Å; R209-L214 HydrophobicContact CB-CD2 4.36Å; R209-V253 HydrophobicContact CB-CG2 4.5Å; R209-V253 HydrophobicContact CG-CG2 3.98Å; R209-P257 PolarHBondContact NH1-O 2.79Å; R209-P257 PolarHBondContact NH2-O 3.48Å; R209-S258 PolarHBondContact NH1-O 2.87Å
210K96.1Very high97.2Very high149 Ų14925 Ų2565%0.64813%0.129SC*.Hα-helixtrans-63.4-32.8178.4-75.8170.9176.8165.10112.8D206 K207 D212D206-K210 VanDerWaalsContact CG-NZ 3.27Å; D206-K210 WeakPolarHBondContact O-CB 3Å; D206-K210 VanDerWaalsContact O-CG 3.31Å; D206-K210 WeakPolarHBondContact O-CG 3.3Å; D206-K210 PolarHBondContact O-N 3.46Å; D206-K210 WeakPolarHBondContact OD1-CE 3.24Å; D206-K210 IonicContact OD1-NZ 3.28Å; D206-K210 PolarHBondContact OD1-NZ 3.48Å; D206-K210 VanDerWaalsContact OD1-NZ 3.08Å; D206-K210 WeakPolarHBondContact OD2-CE 3.26Å; D206-K210 IonicContact OD2-NZ 2.74Å; D206-K210 PolarHBondContact OD2-NZ 3.09Å; K207-K210 PolarHBondContact O-N 3.22Å; K210-D212 PolarHBondContact O-N 2.88Å
211G96.3Very high97.3Very high19 Ų1923.8 Ų23.820%0.19612%0.117CC..THydrogen-bonded Turntrans-75.91.217400000114.7R156 K207 L208 R209 N213R156-G211 PolarHBondContact NH1-O 3.01Å; R156-G211 PolarHBondContact NH2-O 3.34Å; K207-G211 PolarHBondContact O-N 3.06Å; L208-G211 PolarHBondContact O-N 2.93Å; R209-G211 VanDerWaalsContact C-N 3.27Å; R209-G211 PolarHBondContact O-N 3.02Å; G211-N213 VanDerWaalsContact C-N 3.28Å; G211-N213 PolarHBondContact O-N 3.17Å
212D95.4Very high97.4Very high101 Ų10123.8 Ų23.854%0.5412%0.117SC..THydrogen-bonded Turntrans49.650.9-169.4-179.132.7000111R79 R156 L208 R209 K210R79-D212 PolarHBondContact NH1-O 3.08Å; R79-D212 IonicContact NH2-OD1 3Å; R156-D212 PolarHBondContact NH1-O 3.35Å; R156-D212 IonicContact NH1-OD2 3.3Å; L208-D212 PolarHBondContact O-N 2.63Å; R209-D212 PolarHBondContact O-N 3.34Å; K210-D212 PolarHBondContact O-N 2.88Å
213N96.6Very high97.4Very high1 Ų123.4 Ų23.41%0.00512%0.115CC..  trans-134.428.3-177.5-15734.4000112.1R79 F152 C153 L208 G211R79-N213 WeakPolarHBondContact CD-OD1 3.48Å; F152-N213 PolarHBondContact O-ND2 3.41Å; F152-N213 VanDerWaalsContact O-ND2 3.17Å; C153-N213 HydrophobicContact CB-CB 4.44Å; L208-N213 HydrophobicContact CD2-CB 4.36Å; L208-N213 CarbonylContact O-C 3.59Å; L208-N213 WeakPolarHBondContact O-CA 3.21Å; L208-N213 PolarHBondContact O-N 2.9Å; G211-N213 VanDerWaalsContact C-N 3.28Å; G211-N213 PolarHBondContact O-N 3.17Å
214L97.8Very high97.4Very high6 Ų622.1 Ų22.13%0.03111%0.11CC..  trans-141.7115.4178.4-177.263.3000110.6V81 V205 L208 R209 A216 V253V81-L214 HydrophobicContact CB-CD1 4.24Å; V81-L214 HydrophobicContact CG2-CD1 3.77Å; V205-L214 HydrophobicContact CB-CD2 4.36Å; V205-L214 HydrophobicContact CG1-CD2 3.83Å; V205-L214 HydrophobicContact CG2-CD2 4.49Å; L208-L214 HydrophobicContact CB-CB 3.91Å; R209-L214 HydrophobicContact CB-CD2 4.36Å; L214-A216 VanDerWaalsContact CD1-O 3.27Å; L214-A216 WeakPolarHBondContact CD1-O 3.44Å; L214-V253 HydrophobicContact CD2-CG2 4.09Å; L214-V253 HydrophobicContact CG-CG2 4.17Å; L214-V253 WeakPolarHBondContact O-CG1 3.2Å
215D97.8Very high97.3Very high47 Ų4722.2 Ų22.225%0.25111%0.11SC..SBendtrans-96.4-36.6176.2-57.3-42.4000111.5E78 R79 V253E78-D215 HydrophobicContact CG-CB 3.5Å; R79-D215 VanDerWaalsContact CB-OD2 3.23Å; R79-D215 WeakPolarHBondContact CB-OD2 3.45Å; R79-D215 WeakPolarHBondContact CG-OD2 3.44Å; R79-D215 IonicContact CZ-OD1 2.75Å; R79-D215 VanDerWaalsContact CZ-OD1 3.32Å; R79-D215 IonicContact CZ-OD2 3.79Å; R79-D215 PolarHBondContact N-OD2 2.92Å; R79-D215 IonicContact NE-OD1 2.62Å; R79-D215 PolarHBondContact NE-OD1 3.15Å; R79-D215 VanDerWaalsContact NE-OD1 3.15Å; R79-D215 IonicContact NE-OD2 2.9Å; R79-D215 PolarHBondContact NE-OD2 3.23Å; R79-D215 IonicContact NH2-OD1 3.59Å; R79-D215 PolarHBondContact NH2-OD1 2.92Å; R79-D215 IonicContact NH2-OD2 3.76Å; R79-D215 WeakPolarHBondContact O-CB 3.46Å; R79-D215 PolarHBondContact O-N 2.95Å; D215-V253 WeakPolarHBondContact O-CB 3.27Å; D215-V253 PolarHBondContact O-N 3.39Å
216A97.8Very high97Very high0 Ų028.9 Ų28.90%014%0.139CC..EExtended strand (participates in β ladder)trans-156.6161.6-177.800000114.1R79 S80 V81 L214 R250 Y251R79-A216 PolarHBondContact O-N 2.69Å; S80-A216 WeakPolarHBondContact CA-O 3.47Å; S80-A216 WeakPolarHBondContact CB-O 3.32Å; V81-A216 PolarHBondContact N-O 2.85Å; V81-A216 VanDerWaalsContact N-O 3.17Å; L214-A216 VanDerWaalsContact CD1-O 3.27Å; L214-A216 WeakPolarHBondContact CD1-O 3.44Å; A216-R250 HydrophobicContact CB-CG 4Å; A216-Y251 CarbonylContact C-O 3.52Å; A216-Y251 WeakPolarHBondContact CA-O 3.5Å; A216-Y251 WeakPolarHBondContact CB-O 3.4Å
217V98.4Very high96.9Very high0 Ų029.1 Ų29.10%014%0.141CC..EExtended strand (participates in β ladder)trans-104126.6161.81710000108.8V81 I83 F201 V205 Y251 L256 W266V81-V217 HydrophobicContact CB-CG2 4.18Å; V81-V217 CarbonylContact O-C 3.54Å; V81-V217 VanDerWaalsContact O-CA 3.29Å; V81-V217 WeakPolarHBondContact O-CA 3.43Å; I83-V217 HydrophobicContact CD1-CG1 3.81Å; I83-V217 HydrophobicContact CG1-CG1 4.06Å; F201-V217 HydrophobicContact CE2-CG1 4.34Å; F201-V217 HydrophobicContact CE2-CG2 4.36Å; V205-V217 HydrophobicContact CG2-CG2 4.13Å; V217-Y251 PolarHBondContact N-O 3.02Å; V217-Y251 PolarHBondContact O-N 2.98Å; V217-L256 HydrophobicContact CB-CD1 4.26Å; V217-L256 HydrophobicContact CB-CD2 4.39Å; V217-L256 HydrophobicContact CG2-CD1 3.51Å; V217-L256 HydrophobicContact CG2-CD2 4.3Å; V217-W266 HydrophobicContact CB-CH2 4.37Å; V217-W266 HydrophobicContact CG1-CH2 3.77Å; V217-W266 HydrophobicContact CG1-CZ3 4.25Å
218H98Very high96.8Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-97.2110.9171.2-67.692.9000109.1G73 F74 E78 S80 V81 I82 I83G73-H218 PolarHBondContact O-CD2 3.09Å; F74-H218 AromaticContact CD1-CD2 3.69Å; F74-H218 AromaticContact CD1-CE1 3.79Å; F74-H218 AromaticContact CD1-CG 3.84Å; F74-H218 AromaticContact CD1-ND1 3.88Å; F74-H218 AromaticContact CD1-NE2 3.65Å; F74-H218 HydrophobicContact CE1-CB 4.06Å; F74-H218 AromaticContact CE1-CD2 3.96Å; F74-H218 AromaticContact CE1-CG 3.75Å; F74-H218 AromaticContact CE1-ND1 3.99Å; E78-H218 IonicContact OE2-CE1 2.89Å; E78-H218 PolarHBondContact OE2-CE1 3.36Å; E78-H218 IonicContact OE2-NE2 3.51Å; S80-H218 WeakPolarHBondContact CB-ND1 3.46Å; S80-H218 PolarHBondContact OG-ND1 3.34Å; V81-H218 PolarHBondContact O-N 2.74Å; I82-H218 WeakPolarHBondContact CA-O 3.32Å; I82-H218 HydrophobicContact CG1-CB 4.26Å; I83-H218 PolarHBondContact N-O 2.78Å
219D98Very high96.6Very high1 Ų129.8 Ų29.81%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-91.7113.5175.3-176.429.7000110.9I83 R249 Y251 K274I83-D219 HydrophobicContact CD1-CB 4.14Å; I83-D219 HydrophobicContact CG1-CB 4.02Å; I83-D219 WeakPolarHBondContact CG1-OD1 3.24Å; D219-R249 HydrophobicContact CB-CB 4.45Å; D219-R249 PolarHBondContact N-O 3.08Å; D219-R249 PolarHBondContact O-N 3.25Å; D219-Y251 HydrophobicContact CB-CD2 4.23Å; D219-Y251 HydrophobicContact CB-CE2 3.83Å; D219-K274 WeakPolarHBondContact OD1-CE 3.45Å; D219-K274 IonicContact OD1-NZ 3.68Å; D219-K274 PolarHBondContact OD1-NZ 2.94Å
220I98.1Very high96.5Very high0 Ų028.6 Ų28.60%014%0.142CC..EExtended strand (participates in β ladder)trans-112130.7-174.8-53.3-177.2000110.4F74 I82 I83 M84 N85 L95 F246 H247 V248 K274F74-I220 HydrophobicContact CE2-CD1 4.29Å; F74-I220 HydrophobicContact CZ-CD1 3.68Å; I82-I220 HydrophobicContact CG2-CD1 3.43Å; I82-I220 VanDerWaalsContact CG2-CD1 3.43Å; I82-I220 HydrophobicContact CG2-CG1 4.04Å; I83-I220 PolarHBondContact O-N 3.4Å; M84-I220 WeakPolarHBondContact CA-O 3.46Å; M84-I220 HydrophobicContact CB-CB 4.22Å; M84-I220 HydrophobicContact CG-CB 3.94Å; M84-I220 HydrophobicContact CG-CG2 3.97Å; M84-I220 HydrophobicContact SD-CB 4.17Å; M84-I220 HydrophobicContact SD-CG2 3.73Å; N85-I220 PolarHBondContact N-O 3.16Å; N85-I220 PolarHBondContact OD1-O 3.3Å; L95-I220 HydrophobicContact CD1-CD1 3.61Å; I220-F246 HydrophobicContact CG2-CB 4.38Å; I220-F246 HydrophobicContact CG2-CD1 3.83Å; I220-H247 CarbonylContact C-O 3.5Å; I220-H247 WeakPolarHBondContact CA-O 3.37Å; I220-V248 HydrophobicContact CD1-CG2 4.44Å; I220-V248 HydrophobicContact CG1-CG1 4.31Å; I220-V248 HydrophobicContact CG1-CG2 4.22Å; I220-K274 PolarHBondContact O-NZ 3.21Å
221T98.3Very high96.5Very high0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-104.1117.9164.8-46.50000109.2N85 F246 H247 K274 R277 L278 F289N85-T221 VanDerWaalsContact OD1-CA 3.27Å; N85-T221 WeakPolarHBondContact OD1-CA 3.16Å; T221-F246 WeakPolarHBondContact O-CA 3.49Å; T221-H247 PolarHBondContact N-O 3.21Å; T221-H247 PolarHBondContact O-N 2.82Å; T221-K274 HydrophobicContact CG2-CG 4.43Å; T221-R277 PolarHBondContact OG1-NH1 3.21Å; T221-L278 HydrophobicContact CG2-CD1 4.08Å; T221-L278 HydrophobicContact CG2-CD2 3.68Å; T221-L278 HydrophobicContact CG2-CG 3.7Å; T221-F289 HydrophobicContact CG2-CE1 4.35Å; T221-F289 HydrophobicContact CG2-CZ 3.86Å
222V98.2Very high96.4Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-100.6135.5172.466.20000110.6M84 N85 Y224 I244 H245 F246M84-V222 HydrophobicContact CG-CB 4.34Å; M84-V222 HydrophobicContact CG-CG1 4.03Å; M84-V222 HydrophobicContact SD-CB 4.04Å; M84-V222 HydrophobicContact SD-CG1 4.13Å; N85-V222 PolarHBondContact ND2-O 2.89Å; N85-V222 WeakPolarHBondContact O-CG1 3.28Å; N85-V222 PolarHBondContact OD1-N 3.01Å; V222-Y224 HydrophobicContact CG2-CE2 4.14Å; V222-I244 HydrophobicContact CG2-CG2 3.88Å; V222-H245 WeakPolarHBondContact CA-O 3.1Å; V222-F246 HydrophobicContact CB-CD1 4Å; V222-F246 HydrophobicContact CB-CE1 3.93Å; V222-F246 HydrophobicContact CG2-CD1 3.91Å; V222-F246 HydrophobicContact CG2-CE1 3.52Å; V222-F246 HydrophobicContact CG2-CZ 4.12Å
223A97.7Very high96.3Very high0 Ų028.5 Ų28.50%013%0.13CC..EExtended strand (participates in β ladder)trans-144.5159.3176.800000112.4H245 L278 F281 F289A223-H245 PolarHBondContact N-O 3.1Å; A223-H245 PolarHBondContact O-N 3.41Å; A223-L278 HydrophobicContact CB-CD2 3.73Å; A223-F281 HydrophobicContact CB-CD1 3.75Å; A223-F281 HydrophobicContact CB-CD2 4.26Å; A223-F281 HydrophobicContact CB-CE1 3.53Å; A223-F281 HydrophobicContact CB-CE2 4.03Å; A223-F281 HydrophobicContact CB-CG 4.11Å; A223-F281 HydrophobicContact CB-CZ 3.68Å; A223-F289 HydrophobicContact CB-CE1 4.45Å; A223-F289 HydrophobicContact CB-CE2 3.99Å; A223-F289 HydrophobicContact CB-CZ 3.56Å
224Y97.3Very high96.2Very high1 Ų130.9 Ų30.90%0.00414%0.141CC..  trans-129.4101.3-173.4-61.1-83.2000109.6R87 T88 D91 F94 V222 K226 I228 P241 I244 Y282R87-Y224 HydrophobicContact CB-CD2 4.46Å; R87-Y224 HydrophobicContact CB-CE2 3.99Å; R87-Y224 HydrophobicContact CG-CD2 3.97Å; R87-Y224 HydrophobicContact CG-CE2 3.94Å; T88-Y224 HydrophobicContact CG2-CE2 3.88Å; D91-Y224 PolarHBondContact OD1-OH 2.63Å; F94-Y224 HydrophobicContact CD2-CE1 4.06Å; F94-Y224 WeakPolarHBondContact CD2-OH 3.37Å; F94-Y224 HydrophobicContact CE2-CE1 4.16Å; V222-Y224 HydrophobicContact CG2-CE2 4.14Å; Y224-K226 VanDerWaalsContact C-N 3.3Å; Y224-K226 PolarHBondContact O-N 3.13Å; Y224-I228 HydrophobicContact CD2-CG2 4.1Å; Y224-I228 HydrophobicContact CG-CG1 4.45Å; Y224-P241 HydrophobicContact CD1-CB 3.98Å; Y224-P241 HydrophobicContact CE1-CB 4.19Å; Y224-I244 HydrophobicContact CD1-CG1 4.16Å; Y224-I244 HydrophobicContact CD1-CG2 4.32Å; Y224-I244 HydrophobicContact CE1-CB 4.33Å; Y224-I244 HydrophobicContact CE1-CD1 4.22Å; Y224-I244 HydrophobicContact CE1-CG1 3.89Å; Y224-I244 HydrophobicContact CE1-CG2 3.82Å; Y224-Y282 PolarHBondContact N-OH 3.5Å
225P95Very high96Very high5 Ų530.7 Ų30.73%0.03214%0.14CC..SBendtrans-70.2-24.6-171.826.1-33.6000113.6E243 F281 R287P225-E243 WeakPolarHBondContact CD-O 3.47Å; P225-E243 HydrophobicContact CG-CB 3.8Å; P225-E243 HydrophobicContact CG-CG 3.67Å; P225-F281 HydrophobicContact CB-CE1 4.22Å; P225-F281 HydrophobicContact CB-CZ 3.86Å; P225-F281 HydrophobicContact CG-CZ 4.32Å; P225-R287 HydrophobicContact CB-CB 3.63Å; P225-R287 WeakPolarHBondContact O-CD 3.23Å; P225-R287 PolarHBondContact O-NH1 2.97Å
226K92.5Very high95.8Very high141 Ų14130.5 Ų30.561%0.61314%0.141SC*.SBendtrans-109.4-68.5-172.3-56.1-58.4-178.9-177.30113.1Y224 R242Y224-K226 VanDerWaalsContact C-N 3.3Å; Y224-K226 PolarHBondContact O-N 3.13Å; K226-R242 HydrophobicContact CB-CB 4.11Å; K226-R242 HydrophobicContact CG-CB 4.32Å
227N93.8Very high95.7Very high43 Ų4332 Ų3223%0.2315%0.149CC..  trans-138148.4-177.966.4-64.1000110.8F240 R242N227-F240 PolarHBondContact ND2-O 2.77Å; N227-R242 WeakPolarHBondContact OD1-CG 3.45Å; N227-R242 PolarHBondContact OD1-N 3.32Å
228I94.9Very high95.4Very high55 Ų5533.4 Ų33.428%0.28216%0.162SC..  trans-118102-170.9-47.3-167.6000109.4R87 T88 Y224 Q230R87-I228 HydrophobicContact CG-CG2 4.04Å; T88-I228 HydrophobicContact CG2-CG2 3.46Å; T88-I228 VanDerWaalsContact CG2-CG2 3.46Å; Y224-I228 HydrophobicContact CD2-CG2 4.1Å; Y224-I228 HydrophobicContact CG-CG1 4.45Å; I228-Q230 PolarHBondContact O-N 3Å; I228-Q230 VanDerWaalsContact O-N 3.1Å
229P94.1Very high95.2Very high1 Ų137.3 Ų37.31%0.00618%0.181CC..  trans-77.993.7177.633-36.5000110.2T88 L90 F94 T231 H234 L235 E239 P241T88-P229 WeakPolarHBondContact CB-O 3.24Å; T88-P229 WeakPolarHBondContact CG2-O 3.29Å; L90-P229 HydrophobicContact CD1-CB 4.15Å; L90-P229 HydrophobicContact CD1-CG 4.35Å; F94-P229 HydrophobicContact CE2-CG 3.89Å; F94-P229 HydrophobicContact CZ-CG 3.85Å; P229-T231 VanDerWaalsContact C-N 3.25Å; P229-T231 PolarHBondContact O-N 3.39Å; P229-H234 HydrophobicContact CB-CB 3.99Å; P229-L235 HydrophobicContact CB-CD2 4.28Å; P229-E239 WeakPolarHBondContact CB-O 3.37Å; P229-P241 HydrophobicContact CG-CB 3.99Å; P229-P241 HydrophobicContact CG-CG 4.04Å
230Q94.6Very high95.1Very high31 Ų3138 Ų3815%0.14518%0.184CC..  trans-62.3-31.9-173-170.76837.900113.5R87 R89 D169 L170 I228 H234R87-Q230 PolarHBondContact O-NE2 3.22Å; R89-Q230 PolarHBondContact N-O 2.66Å; R89-Q230 VanDerWaalsContact N-O 3.1Å; D169-Q230 PolarHBondContact OD2-NE2 3.21Å; L170-Q230 PolarHBondContact O-NE2 2.95Å; I228-Q230 PolarHBondContact O-N 3Å; I228-Q230 VanDerWaalsContact O-N 3.1Å; Q230-H234 PolarHBondContact N-ND1 3.16Å
231T95.2Very high95Very high25 Ų2538 Ų3815%0.15318%0.184CC..SBendtrans-146.5163.7-166.466.70000112.5P229 R233 H234P229-T231 VanDerWaalsContact C-N 3.25Å; P229-T231 PolarHBondContact O-N 3.39Å; T231-R233 PolarHBondContact O-N 3.04Å; T231-R233 VanDerWaalsContact O-N 3.12Å; T231-R233 PolarHBondContact OG1-N 2.84Å; T231-H234 PolarHBondContact N-ND1 3.24Å; T231-H234 VanDerWaalsContact N-ND1 3.13Å; T231-H234 WeakPolarHBondContact O-CB 3.23Å; T231-H234 PolarHBondContact O-N 2.7Å; T231-H234 PolarHBondContact O-ND1 3.22Å; T231-H234 PolarHBondContact OG1-CE1 2.85Å; T231-H234 PolarHBondContact OG1-ND1 2.95Å
232E93.9Very high94.8Very high70 Ų7047 Ų4733%0.32722%0.218SC..Hα-helixtrans-56.7-28.9175.1-5574.2-167.600111.9R89 L90 H234 L235 V236R89-E232 IonicContact CZ-OE2 3.09Å; R89-E232 IonicContact NH1-OE1 3.29Å; R89-E232 PolarHBondContact NH1-OE1 2.94Å; R89-E232 IonicContact NH1-OE2 2.68Å; R89-E232 PolarHBondContact NH1-OE2 3.47Å; R89-E232 IonicContact NH2-OE2 3.08Å; R89-E232 PolarHBondContact NH2-OE2 2.75Å; R89-E232 VanDerWaalsContact NH2-OE2 3.08Å; L90-E232 HydrophobicContact CD2-CG 3.99Å; E232-H234 VanDerWaalsContact C-N 3.26Å; E232-H234 PolarHBondContact O-N 2.87Å; E232-L235 WeakPolarHBondContact O-CB 3.36Å; E232-L235 PolarHBondContact O-N 2.99Å; E232-L235 VanDerWaalsContact O-N 3.08Å; E232-V236 PolarHBondContact O-N 2.89Å
233R93.8Very high94.8Very high172 Ų17248.1 Ų48.165%0.64922%0.223SC*.Hα-helixtrans-58.6-37.6174.8-176.6179.5176.6176.7-0.1111.9T231 L235 V236 L237T231-R233 PolarHBondContact O-N 3.04Å; T231-R233 VanDerWaalsContact O-N 3.12Å; T231-R233 PolarHBondContact OG1-N 2.84Å; R233-L235 VanDerWaalsContact C-N 3.31Å; R233-L235 PolarHBondContact O-N 2.84Å; R233-V236 PolarHBondContact O-N 3.33Å; R233-L237 HydrophobicContact CG-CD1 4.26Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 2.66Å
234H94.8Very high94.7Very high51 Ų5148.1 Ų48.124%0.23622%0.223CC..Hα-helixtrans-62.5-41.6176.3-63.787.9000110.3P229 Q230 T231 E232 V236 L237 G238 E239P229-H234 HydrophobicContact CB-CB 3.99Å; Q230-H234 PolarHBondContact N-ND1 3.16Å; T231-H234 PolarHBondContact N-ND1 3.24Å; T231-H234 VanDerWaalsContact N-ND1 3.13Å; T231-H234 WeakPolarHBondContact O-CB 3.23Å; T231-H234 PolarHBondContact O-N 2.7Å; T231-H234 PolarHBondContact O-ND1 3.22Å; T231-H234 PolarHBondContact OG1-CE1 2.85Å; T231-H234 PolarHBondContact OG1-ND1 2.95Å; E232-H234 VanDerWaalsContact C-N 3.26Å; E232-H234 PolarHBondContact O-N 2.87Å; H234-V236 PolarHBondContact O-N 2.74Å; H234-L237 CarbonylContact O-C 3.51Å; H234-L237 PolarHBondContact O-N 2.8Å; H234-L237 VanDerWaalsContact O-N 3.15Å; H234-G238 PolarHBondContact O-N 2.73Å; H234-G238 VanDerWaalsContact O-N 3.17Å; H234-E239 HydrophobicContact CB-CB 4.1Å; H234-E239 IonicContact CD2-OE2 3.32Å; H234-E239 PolarHBondContact CD2-OE2 3.33Å; H234-E239 WeakPolarHBondContact O-CA 3.45Å; H234-E239 WeakPolarHBondContact O-CB 3.42Å; H234-E239 PolarHBondContact O-N 2.99Å
235L94.2Very high94.7Very high2 Ų248.3 Ų48.31%0.0122%0.224CC..Hα-helixtrans-63.4-41.4175.7-53.9-171.9000112.2G7 F10 I11 L90 M93 P229 E232 R233 L237 G238 F240G7-L235 WeakPolarHBondContact CA-O 3.49Å; F10-L235 HydrophobicContact CD1-CD1 4.13Å; F10-L235 HydrophobicContact CE1-CD1 3.64Å; F10-L235 HydrophobicContact CZ-CD1 4.48Å; I11-L235 HydrophobicContact CD1-CB 4.35Å; L90-L235 HydrophobicContact CD1-CD1 3.7Å; L90-L235 HydrophobicContact CD1-CD2 3.85Å; L90-L235 HydrophobicContact CD1-CG 3.65Å; L90-L235 HydrophobicContact CD2-CD1 3.98Å; L90-L235 HydrophobicContact CG-CD1 4.48Å; M93-L235 HydrophobicContact CE-CD1 4.03Å; P229-L235 HydrophobicContact CB-CD2 4.28Å; E232-L235 WeakPolarHBondContact O-CB 3.36Å; E232-L235 PolarHBondContact O-N 2.99Å; E232-L235 VanDerWaalsContact O-N 3.08Å; R233-L235 VanDerWaalsContact C-N 3.31Å; R233-L235 PolarHBondContact O-N 2.84Å; L235-L237 PolarHBondContact O-N 3.3Å; L235-G238 WeakPolarHBondContact O-CA 3.39Å; L235-G238 PolarHBondContact O-N 3Å; L235-F240 HydrophobicContact CB-CE1 4.23Å; L235-F240 HydrophobicContact CB-CZ 4.41Å; L235-F240 HydrophobicContact CD2-CD1 3.72Å; L235-F240 HydrophobicContact CD2-CE1 3.89Å; L235-F240 HydrophobicContact CD2-CG 4.39Å; L235-F240 HydrophobicContact CG-CE1 4.47Å
236V93.7Very high94.8Very high43 Ų4348 Ų4826%0.26122%0.222SC..Hα-helixtrans-60.3-35.8174.7174.20000111.7V3 S4 I11 E232 R233 H234 G238V3-V236 HydrophobicContact CG1-CG1 3.88Å; V3-V236 HydrophobicContact CG2-CG1 4.24Å; S4-V236 PolarHBondContact N-O 3.32Å; I11-V236 HydrophobicContact CG1-CG2 3.92Å; E232-V236 PolarHBondContact O-N 2.89Å; R233-V236 PolarHBondContact O-N 3.33Å; H234-V236 PolarHBondContact O-N 2.74Å; V236-G238 PolarHBondContact O-N 3.27Å
237L94.3Very high94.9Very high32 Ų3242 Ų4217%0.16820%0.196CC..THydrogen-bonded Turntrans-77.6-1.4174.7-64.3174.9000113.1M1 S4 R233 H234 L235 E239M1-L237 HydrophobicContact CB-CD2 4.11Å; M1-L237 HydrophobicContact CE-CD1 3.8Å; M1-L237 HydrophobicContact SD-CD1 4.42Å; S4-L237 WeakPolarHBondContact CB-O 3.44Å; R233-L237 HydrophobicContact CG-CD1 4.26Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 2.66Å; H234-L237 CarbonylContact O-C 3.51Å; H234-L237 PolarHBondContact O-N 2.8Å; H234-L237 VanDerWaalsContact O-N 3.15Å; L235-L237 PolarHBondContact O-N 3.3Å; L237-E239 VanDerWaalsContact C-N 3.33Å; L237-E239 HydrophobicContact CB-CG 4.39Å
238G92.7Very high95Very high28 Ų2840 Ų4029%0.28919%0.185SC..THydrogen-bonded Turntrans81.912.4179.800000113.9H234 L235 V236 F240H234-G238 PolarHBondContact O-N 2.73Å; H234-G238 VanDerWaalsContact O-N 3.17Å; L235-G238 WeakPolarHBondContact O-CA 3.39Å; L235-G238 PolarHBondContact O-N 3Å; V236-G238 PolarHBondContact O-N 3.27Å; G238-F240 WeakPolarHBondContact O-CD2 3.38Å; G238-F240 PolarHBondContact O-N 3.4Å
239E94.1Very high95.1Very high82 Ų8241.5 Ų41.538%0.38319%0.188SC..  trans-89.179.6179.3-61.5177.8-155.900109.8P229 H234 L237P229-E239 WeakPolarHBondContact CB-O 3.37Å; H234-E239 HydrophobicContact CB-CB 4.1Å; H234-E239 IonicContact CD2-OE2 3.32Å; H234-E239 PolarHBondContact CD2-OE2 3.33Å; H234-E239 WeakPolarHBondContact O-CA 3.45Å; H234-E239 WeakPolarHBondContact O-CB 3.42Å; H234-E239 PolarHBondContact O-N 2.99Å; L237-E239 VanDerWaalsContact C-N 3.33Å; L237-E239 HydrophobicContact CB-CG 4.39Å
240F95Very high95.1Very high17 Ų1744.5 Ų44.58%0.07520%0.199CC..  trans-84.8148.6173.6-65.3-87.4000110.6F10 L59 F63 V65 N227 L235 G238 R242F10-F240 HydrophobicContact CB-CE1 4Å; F10-F240 HydrophobicContact CB-CZ 3.64Å; F10-F240 AromaticContact CD1-CE1 3.82Å; F10-F240 HydrophobicContact CD1-CE1 3.82Å; F10-F240 HydrophobicContact CD1-CZ 4.21Å; F10-F240 AromaticContact CD2-CE1 3.71Å; F10-F240 HydrophobicContact CD2-CE1 3.71Å; F10-F240 HydrophobicContact CD2-CZ 4.18Å; F10-F240 HydrophobicContact CE1-CE1 4.19Å; F10-F240 HydrophobicContact CE2-CE1 4.09Å; F10-F240 AromaticContact CG-CE1 3.56Å; F10-F240 HydrophobicContact CG-CE1 3.56Å; F10-F240 AromaticContact CG-CZ 3.76Å; F10-F240 HydrophobicContact CG-CZ 3.76Å; F10-F240 HydrophobicContact CZ-CE1 4.31Å; L59-F240 HydrophobicContact CD2-CD1 3.96Å; L59-F240 HydrophobicContact CD2-CE1 4.5Å; F63-F240 HydrophobicContact CB-CB 4.44Å; F63-F240 HydrophobicContact CB-CD1 4.38Å; F63-F240 HydrophobicContact CB-CD2 4.43Å; F63-F240 HydrophobicContact CB-CG 4.15Å; F63-F240 HydrophobicContact CD1-CD1 4.25Å; F63-F240 AromaticContact CD1-CD2 3.35Å; F63-F240 HydrophobicContact CD1-CD2 3.35Å; F63-F240 HydrophobicContact CD1-CE1 4.17Å; F63-F240 AromaticContact CD1-CE2 3.27Å; F63-F240 HydrophobicContact CD1-CE2 3.27Å; F63-F240 AromaticContact CD1-CG 3.87Å; F63-F240 HydrophobicContact CD1-CG 3.87Å; F63-F240 AromaticContact CD1-CZ 3.71Å; F63-F240 HydrophobicContact CD1-CZ 3.71Å; F63-F240 HydrophobicContact CD2-CE1 4.24Å; F63-F240 HydrophobicContact CD2-CZ 4.32Å; F63-F240 AromaticContact CE1-CD2 3.77Å; F63-F240 HydrophobicContact CE1-CD2 3.77Å; F63-F240 HydrophobicContact CE1-CE1 4.22Å; F63-F240 AromaticContact CE1-CE2 3.14Å; F63-F240 HydrophobicContact CE1-CE2 3.14Å; F63-F240 AromaticContact CE1-CZ 3.41Å; F63-F240 HydrophobicContact CE1-CZ 3.41Å; F63-F240 VanDerWaalsContact CE1-CZ 3.41Å; F63-F240 HydrophobicContact CE2-CE1 4.42Å; F63-F240 HydrophobicContact CE2-CZ 4.19Å; F63-F240 HydrophobicContact CG-CD1 4.12Å; F63-F240 HydrophobicContact CG-CD2 4Å; F63-F240 HydrophobicContact CG-CE1 4.17Å; F63-F240 HydrophobicContact CG-CE2 4.06Å; F63-F240 HydrophobicContact CG-CG 4.05Å; F63-F240 HydrophobicContact CG-CZ 4.15Å; F63-F240 HydrophobicContact CZ-CE1 4.41Å; F63-F240 AromaticContact CZ-CE2 3.96Å; F63-F240 HydrophobicContact CZ-CE2 3.96Å; F63-F240 AromaticContact CZ-CZ 3.74Å; F63-F240 HydrophobicContact CZ-CZ 3.74Å; V65-F240 HydrophobicContact CG2-CB 4.39Å; N227-F240 PolarHBondContact ND2-O 2.77Å; L235-F240 HydrophobicContact CB-CE1 4.23Å; L235-F240 HydrophobicContact CB-CZ 4.41Å; L235-F240 HydrophobicContact CD2-CD1 3.72Å; L235-F240 HydrophobicContact CD2-CE1 3.89Å; L235-F240 HydrophobicContact CD2-CG 4.39Å; L235-F240 HydrophobicContact CG-CE1 4.47Å; G238-F240 WeakPolarHBondContact O-CD2 3.38Å; G238-F240 PolarHBondContact O-N 3.4Å; F240-R242 PolarHBondContact O-N 3.41Å
241P96.3Very high95.3Very high0 Ų045 Ų450%020%0.2CC..  trans-64.5124.8175.128.7-28000108.4V65 F94 Y224 P229 E243 I244V65-P241 HydrophobicContact CG1-CG 4.24Å; V65-P241 WeakPolarHBondContact CG1-O 3.42Å; V65-P241 HydrophobicContact CG2-CG 4.38Å; V65-P241 WeakPolarHBondContact CG2-O 3.36Å; F94-P241 HydrophobicContact CE1-CG 3.96Å; F94-P241 HydrophobicContact CE2-CG 4.19Å; F94-P241 HydrophobicContact CZ-CG 3.71Å; Y224-P241 HydrophobicContact CD1-CB 3.98Å; Y224-P241 HydrophobicContact CE1-CB 4.19Å; P229-P241 HydrophobicContact CG-CB 3.99Å; P229-P241 HydrophobicContact CG-CG 4.04Å; P241-E243 PolarHBondContact O-N 3.06Å; P241-I244 HydrophobicContact CB-CD1 4.27Å; P241-I244 HydrophobicContact CB-CG1 3.93Å; P241-I244 HydrophobicContact CG-CD1 3.7Å; P241-I244 HydrophobicContact CG-CG1 3.91Å
242R95.7Very high95.4Very high188 Ų18845.3 Ų45.371%0.70920%0.202SC*.SBendtrans-66.9-31.8177.8-70.3-179.1-177-160.72111.9K66 K226 N227 F240K66-R242 PolarHBondContact N-O 2.86Å; K226-R242 HydrophobicContact CB-CB 4.11Å; K226-R242 HydrophobicContact CG-CB 4.32Å; N227-R242 WeakPolarHBondContact OD1-CG 3.45Å; N227-R242 PolarHBondContact OD1-N 3.32Å; F240-R242 PolarHBondContact O-N 3.41Å
243E96.4Very high95.5Very high24 Ų2444 Ų4411%0.11220%0.198CC..EExtended strand (participates in β ladder)trans-151.8140.6-177.2-176.7169.6-165.500110K66 V68 P225 P241 H245K66-E243 HydrophobicContact CB-CB 4.25Å; K66-E243 HydrophobicContact CB-CG 4.11Å; K66-E243 HydrophobicContact CD-CG 4.21Å; K66-E243 WeakPolarHBondContact CE-OE1 3.2Å; K66-E243 HydrophobicContact CG-CG 4.25Å; K66-E243 IonicContact NZ-OE1 2.71Å; K66-E243 PolarHBondContact NZ-OE1 3.48Å; K66-E243 CarbonylContact O-C 3.5Å; K66-E243 WeakPolarHBondContact O-CA 3.48Å; V68-E243 WeakPolarHBondContact CG2-OE1 3.22Å; P225-E243 WeakPolarHBondContact CD-O 3.47Å; P225-E243 HydrophobicContact CG-CB 3.8Å; P225-E243 HydrophobicContact CG-CG 3.67Å; P241-E243 PolarHBondContact O-N 3.06Å; E243-H245 VanDerWaalsContact CD-NE2 3.27Å; E243-H245 WeakPolarHBondContact CG-NE2 3.21Å; E243-H245 IonicContact OE1-CD2 2.69Å; E243-H245 IonicContact OE1-CE1 3.71Å; E243-H245 IonicContact OE1-NE2 3.92Å; E243-H245 PolarHBondContact OE1-NE2 3.3Å
244I97.1Very high95.6Very high0 Ų040.6 Ų40.60%020%0.201CC..EExtended strand (participates in β ladder)trans-128.5127.9179.2-46.5-179000108.4V65 K66 V67 V68 F94 V222 Y224 P241 F246V65-I244 HydrophobicContact CG1-CD1 3.84Å; V65-I244 HydrophobicContact CG1-CG1 3.85Å; K66-I244 PolarHBondContact O-N 2.96Å; V67-I244 WeakPolarHBondContact CA-O 3.37Å; V68-I244 PolarHBondContact N-O 3Å; F94-I244 HydrophobicContact CB-CD1 3.75Å; F94-I244 HydrophobicContact CD1-CD1 3.78Å; F94-I244 HydrophobicContact CD2-CD1 4.07Å; F94-I244 HydrophobicContact CE1-CD1 4.38Å; F94-I244 HydrophobicContact CG-CD1 3.6Å; V222-I244 HydrophobicContact CG2-CG2 3.88Å; Y224-I244 HydrophobicContact CD1-CG1 4.16Å; Y224-I244 HydrophobicContact CD1-CG2 4.32Å; Y224-I244 HydrophobicContact CE1-CB 4.33Å; Y224-I244 HydrophobicContact CE1-CD1 4.22Å; Y224-I244 HydrophobicContact CE1-CG1 3.89Å; Y224-I244 HydrophobicContact CE1-CG2 3.82Å; P241-I244 HydrophobicContact CB-CD1 4.27Å; P241-I244 HydrophobicContact CB-CG1 3.93Å; P241-I244 HydrophobicContact CG-CD1 3.7Å; P241-I244 HydrophobicContact CG-CG1 3.91Å; I244-F246 HydrophobicContact CB-CE2 4.26Å; I244-F246 HydrophobicContact CG2-CD2 4.23Å; I244-F246 HydrophobicContact CG2-CE1 4.34Å; I244-F246 HydrophobicContact CG2-CE2 3.53Å; I244-F246 HydrophobicContact CG2-CZ 3.59Å
245H96.6Very high95.7Very high4 Ų443.9 Ų43.92%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-111.2130.3178.9-77.4-136000109.6V68 V222 A223 E243 F281 F289V68-H245 CarbonylContact O-C 3.47Å; V68-H245 WeakPolarHBondContact O-CA 3.43Å; V222-H245 WeakPolarHBondContact CA-O 3.1Å; A223-H245 PolarHBondContact N-O 3.1Å; A223-H245 PolarHBondContact O-N 3.41Å; E243-H245 VanDerWaalsContact CD-NE2 3.27Å; E243-H245 WeakPolarHBondContact CG-NE2 3.21Å; E243-H245 IonicContact OE1-CD2 2.69Å; E243-H245 IonicContact OE1-CE1 3.71Å; E243-H245 IonicContact OE1-NE2 3.92Å; E243-H245 PolarHBondContact OE1-NE2 3.3Å; H245-F281 HydrophobicContact CB-CE2 3.96Å; H245-F281 HydrophobicContact CB-CZ 4.19Å; H245-F281 AromaticContact CG-CE2 3.88Å; H245-F281 AromaticContact ND1-CE2 3.59Å; H245-F289 HydrophobicContact CB-CD2 3.71Å; H245-F289 HydrophobicContact CB-CE2 3.7Å
246F96.6Very high95.8Very high0 Ų044.2 Ų44.20%022%0.222CC..EExtended strand (participates in β ladder)trans-116.8129.4171.1-61.6-81.1000109.4V67 V68 I69 T70 M84 F94 L95 C98 I220 T221 V222 I244V67-F246 HydrophobicContact CG1-CD2 3.97Å; V67-F246 HydrophobicContact CG1-CE2 3.96Å; V68-F246 PolarHBondContact O-N 2.68Å; I69-F246 CarbonylContact C-O 3.56Å; I69-F246 WeakPolarHBondContact CA-O 3.43Å; I69-F246 HydrophobicContact CG1-CB 4.16Å; I69-F246 HydrophobicContact CG1-CD2 4.13Å; T70-F246 PolarHBondContact N-O 3.31Å; T70-F246 PolarHBondContact OG1-O 3.41Å; M84-F246 HydrophobicContact SD-CD1 4.3Å; M84-F246 HydrophobicContact SD-CE1 4.02Å; F94-F246 HydrophobicContact CB-CZ 4.25Å; F94-F246 WeakPolarHBondContact O-CZ 3.32Å; L95-F246 HydrophobicContact CD1-CD1 4.47Å; L95-F246 HydrophobicContact CD1-CE1 4.25Å; C98-F246 HydrophobicContact CB-CD2 4.05Å; C98-F246 HydrophobicContact CB-CE2 4.24Å; C98-F246 HydrophobicContact CB-CG 4.33Å; I220-F246 HydrophobicContact CG2-CB 4.38Å; I220-F246 HydrophobicContact CG2-CD1 3.83Å; T221-F246 WeakPolarHBondContact O-CA 3.49Å; V222-F246 HydrophobicContact CB-CD1 4Å; V222-F246 HydrophobicContact CB-CE1 3.93Å; V222-F246 HydrophobicContact CG2-CD1 3.91Å; V222-F246 HydrophobicContact CG2-CE1 3.52Å; V222-F246 HydrophobicContact CG2-CZ 4.12Å; I244-F246 HydrophobicContact CB-CE2 4.26Å; I244-F246 HydrophobicContact CG2-CD2 4.23Å; I244-F246 HydrophobicContact CG2-CE1 4.34Å; I244-F246 HydrophobicContact CG2-CE2 3.53Å; I244-F246 HydrophobicContact CG2-CZ 3.59Å
247H96.1Very high95.9Very high15 Ų1543.7 Ų43.77%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-111.7119.1166-174.274.8000108.5T70 I220 T221 R277 F289T70-H247 PolarHBondContact OG1-ND1 3.01Å; I220-H247 CarbonylContact C-O 3.5Å; I220-H247 WeakPolarHBondContact CA-O 3.37Å; T221-H247 PolarHBondContact N-O 3.21Å; T221-H247 PolarHBondContact O-N 2.82Å; H247-R277 PolarHBondContact CD2-NE 2.81Å; H247-F289 HydrophobicContact CB-CB 4.35Å; H247-F289 HydrophobicContact CB-CD1 4.33Å; H247-F289 HydrophobicContact CB-CD2 3.64Å; H247-F289 HydrophobicContact CB-CE2 3.91Å; H247-F289 HydrophobicContact CB-CG 3.88Å; H247-F289 HydrophobicContact CB-CZ 4.38Å
248V95.4Very high95.8Very high0 Ų046.9 Ų46.90%024%0.244CC..EExtended strand (participates in β ladder)trans-109.6128-175.2-174.30000109.2I69 T70 G71 D72 G73 F74 I220I69-V248 HydrophobicContact CG2-CG2 4.43Å; T70-V248 PolarHBondContact O-N 3.12Å; G71-V248 CarbonylContact C-O 3.52Å; G71-V248 WeakPolarHBondContact CA-O 3.32Å; D72-V248 PolarHBondContact N-O 3.39Å; G73-V248 VanDerWaalsContact O-CG1 3.25Å; G73-V248 WeakPolarHBondContact O-CG1 3.45Å; F74-V248 HydrophobicContact CE2-CG1 4.25Å; F74-V248 HydrophobicContact CE2-CG2 4.17Å; I220-V248 HydrophobicContact CD1-CG2 4.44Å; I220-V248 HydrophobicContact CG1-CG1 4.31Å; I220-V248 HydrophobicContact CG1-CG2 4.22Å
249R95.6Very high95.9Very high87 Ų8747.8 Ų47.833%0.32825%0.246SC..EExtended strand (participates in β ladder)trans-116.9131.5167.3-72.4-174.3173.8-173.2-9.8109.8D72 D219 Y251 E273D72-R249 WeakPolarHBondContact OD2-CA 3.12Å; D219-R249 HydrophobicContact CB-CB 4.45Å; D219-R249 PolarHBondContact N-O 3.08Å; D219-R249 PolarHBondContact O-N 3.25Å; R249-Y251 HydrophobicContact CB-CE2 3.73Å; R249-E273 IonicContact NH1-OE2 2.82Å; R249-E273 PolarHBondContact NH1-OE2 3.1Å
250R96Very high95.9Very high64 Ų6446.9 Ų46.924%0.24225%0.249CC..EExtended strand (participates in β ladder)trans-104.8126.5-179.3-177.7179.6165.8-78-3.4110.4D72 E78 A216D72-R250 HydrophobicContact CB-CB 4Å; D72-R250 PolarHBondContact OD2-N 3.22Å; E78-R250 IonicContact OE1-CZ 3.25Å; E78-R250 VanDerWaalsContact OE1-CZ 3.25Å; E78-R250 IonicContact OE1-NE 3.99Å; E78-R250 PolarHBondContact OE1-NE 2.81Å; E78-R250 VanDerWaalsContact OE1-NE 3.12Å; E78-R250 IonicContact OE1-NH2 2.62Å; E78-R250 PolarHBondContact OE1-NH2 3.2Å; E78-R250 IonicContact OE2-CZ 3.77Å; E78-R250 IonicContact OE2-NE 3.92Å; E78-R250 PolarHBondContact OE2-NE 3.13Å; E78-R250 IonicContact OE2-NH2 3.87Å; A216-R250 HydrophobicContact CB-CG 4Å
251Y97.5Very high95.9Very high41 Ų4150.9 Ų50.916%0.16128%0.275CS..EExtended strand (participates in β ladder)trans-115.5105.8175.9-63-88.5000109.9A216 V217 D219 R249 W266 R270A216-Y251 CarbonylContact C-O 3.52Å; A216-Y251 WeakPolarHBondContact CA-O 3.5Å; A216-Y251 WeakPolarHBondContact CB-O 3.4Å; V217-Y251 PolarHBondContact N-O 3.02Å; V217-Y251 PolarHBondContact O-N 2.98Å; D219-Y251 HydrophobicContact CB-CD2 4.23Å; D219-Y251 HydrophobicContact CB-CE2 3.83Å; R249-Y251 HydrophobicContact CB-CE2 3.73Å; Y251-W266 HydrophobicContact CD1-CZ2 4Å; Y251-W266 HydrophobicContact CD2-CH2 4.12Å; Y251-W266 AromaticContact CD2-CZ2 3.73Å; Y251-W266 HydrophobicContact CD2-CZ2 3.73Å; Y251-W266 HydrophobicContact CE1-CZ2 4.33Å; Y251-W266 HydrophobicContact CE2-CH2 4.5Å; Y251-W266 HydrophobicContact CE2-CZ2 4.08Å; Y251-W266 HydrophobicContact CG-CH2 4.43Å; Y251-W266 AromaticContact CG-CZ2 3.68Å; Y251-W266 HydrophobicContact CG-CZ2 3.68Å; Y251-R270 WeakPolarHBondContact OH-CD 3.4Å
252P97.6Very high95.9Very high32 Ų3255.8 Ų55.821%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-52.3145.6171.1-19.926000111.7S254 L255P252-S254 PolarHBondContact O-N 3.47Å; P252-S254 VanDerWaalsContact O-N 3.11Å; P252-L255 HydrophobicContact CB-CG 4.47Å; P252-L255 HydrophobicContact CG-CD1 4.19Å; P252-L255 HydrophobicContact CG-CG 4.39Å; P252-L255 PolarHBondContact O-N 3.02Å
253V96.7Very high96Very high41 Ų4146.9 Ų46.925%0.24826%0.264CS..G310 helixtrans-56.5-30.8179.969.20000112.8R209 L214 D215 L255 L256R209-V253 HydrophobicContact CB-CG2 4.5Å; R209-V253 HydrophobicContact CG-CG2 3.98Å; L214-V253 HydrophobicContact CD2-CG2 4.09Å; L214-V253 HydrophobicContact CG-CG2 4.17Å; L214-V253 WeakPolarHBondContact O-CG1 3.2Å; D215-V253 WeakPolarHBondContact O-CB 3.27Å; D215-V253 PolarHBondContact O-N 3.39Å; V253-L255 PolarHBondContact O-N 3.36Å; V253-L256 HydrophobicContact CG2-CD1 4.48Å; V253-L256 WeakPolarHBondContact O-CB 3.29Å; V253-L256 PolarHBondContact O-N 2.97Å
254S95.8Very high96Very high101 Ų10148.2 Ų48.271%0.70627%0.27SS*.G310 helixtrans-66.6-21.5177.155.70000114.3P252P252-S254 PolarHBondContact O-N 3.47Å; P252-S254 VanDerWaalsContact O-N 3.11Å
255L96.1Very high96Very high121 Ų12150.7 Ų50.763%0.63429%0.287SS*.G310 helixtrans-95.4-5.7176.8-59.9-173.2000112.7P252 V253P252-L255 HydrophobicContact CB-CG 4.47Å; P252-L255 HydrophobicContact CG-CD1 4.19Å; P252-L255 HydrophobicContact CG-CG 4.39Å; P252-L255 PolarHBondContact O-N 3.02Å; V253-L255 PolarHBondContact O-N 3.36Å
256L96.7Very high96.1Very high9 Ų951.4 Ų51.45%0.04729%0.29CS..SBendtrans-81.4142.6179.3-63.9177.5000110.4V205 V217 V253 L263 W266V205-L256 HydrophobicContact CG1-CD1 4.22Å; V217-L256 HydrophobicContact CB-CD1 4.26Å; V217-L256 HydrophobicContact CB-CD2 4.39Å; V217-L256 HydrophobicContact CG2-CD1 3.51Å; V217-L256 HydrophobicContact CG2-CD2 4.3Å; V253-L256 HydrophobicContact CG2-CD1 4.48Å; V253-L256 WeakPolarHBondContact O-CB 3.29Å; V253-L256 PolarHBondContact O-N 2.97Å; L256-L263 HydrophobicContact CB-CD2 4.32Å; L256-W266 HydrophobicContact CD2-CD2 4.44Å; L256-W266 HydrophobicContact CD2-CH2 4.15Å; L256-W266 HydrophobicContact CD2-CZ2 3.69Å
257P96.6Very high96.2Very high32 Ų3251.4 Ų51.421%0.20829%0.29CS..  trans-56.7149.5174.1-23.130.5000113.3R209 E262 L263 W266R209-P257 PolarHBondContact NH1-O 2.79Å; R209-P257 PolarHBondContact NH2-O 3.48Å; P257-E262 HydrophobicContact CB-CB 3.41Å; P257-E262 VanDerWaalsContact CB-CB 3.41Å; P257-E262 HydrophobicContact CG-CB 4.14Å; P257-L263 HydrophobicContact CB-CD2 4.4Å; P257-L263 HydrophobicContact CB-CG 4.31Å; P257-L263 HydrophobicContact CG-CD2 4.47Å; P257-L263 WeakPolarHBondContact O-CG 3.39Å; P257-W266 HydrophobicContact CG-CB 3.96Å; P257-W266 HydrophobicContact CG-CG 4.16Å
258S92Very high96.2Very high99 Ų9955.2 Ų55.269%0.69230%0.304SS*.SBendtrans-83.9-39.2-175.9-69.90000112.4R209R209-S258 PolarHBondContact NH1-O 2.87Å
259S94.5Very high96.3Very high46 Ų4660 Ų6032%0.32233%0.326SS..SBendtrans-85.1152.3-177.674.50000112.8T261 E262 L263S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 3.24Å; S259-E262 WeakPolarHBondContact CB-OE2 3.41Å; S259-E262 PolarHBondContact N-OE2 2.84Å; S259-E262 PolarHBondContact O-N 3.33Å; S259-E262 VanDerWaalsContact OG-CB 3.32Å; S259-E262 WeakPolarHBondContact OG-CB 3.42Å; S259-E262 WeakPolarHBondContact OG-CG 3.2Å; S259-E262 PolarHBondContact OG-N 2.85Å; S259-E262 PolarHBondContact OG-OE2 3.49Å; S259-L263 WeakPolarHBondContact O-CG 3.35Å; S259-L263 PolarHBondContact O-N 3.37Å
260S93.7Very high96.4Very high64 Ų6456.8 Ų56.845%0.44831%0.314SS..Hα-helixtrans-61.6-38.1176.7179.70000112.4T202 L263 E264T202-S260 PolarHBondContact OG1-OG 3.03Å; S260-L263 PolarHBondContact O-N 3.14Å; S260-E264 PolarHBondContact O-N 2.93Å
261T95.5Very high96.5Very high100 Ų10053.7 Ų53.761%0.61330%0.303SS*.Hα-helixtrans-67.9-41.7-179.4-53.90000111.5S259 E264 S265S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 3.24Å; T261-E264 WeakPolarHBondContact O-CB 3.21Å; T261-E264 PolarHBondContact O-N 3.37Å; T261-S265 PolarHBondContact O-N 3.46Å; T261-S265 VanDerWaalsContact O-N 3.09Å; T261-S265 PolarHBondContact O-OG 3.44Å
262E96.9Very high96.6Very high104 Ų10454.3 Ų54.349%0.48632%0.316SS..Hα-helixtrans-69.3-35.3175.4-66.4161.5158.800111.8P257 S259 E264 S265 W266P257-E262 HydrophobicContact CB-CB 3.41Å; P257-E262 VanDerWaalsContact CB-CB 3.41Å; P257-E262 HydrophobicContact CG-CB 4.14Å; S259-E262 WeakPolarHBondContact CB-OE2 3.41Å; S259-E262 PolarHBondContact N-OE2 2.84Å; S259-E262 PolarHBondContact O-N 3.33Å; S259-E262 VanDerWaalsContact OG-CB 3.32Å; S259-E262 WeakPolarHBondContact OG-CB 3.42Å; S259-E262 WeakPolarHBondContact OG-CG 3.2Å; S259-E262 PolarHBondContact OG-N 2.85Å; S259-E262 PolarHBondContact OG-OE2 3.49Å; E262-E264 VanDerWaalsContact C-N 3.29Å; E262-E264 PolarHBondContact O-N 2.82Å; E262-S265 PolarHBondContact O-N 3.42Å; E262-W266 VanDerWaalsContact O-CB 3.27Å; E262-W266 WeakPolarHBondContact O-CB 3.37Å; E262-W266 PolarHBondContact O-N 3.09Å
263L96.9Very high96.6Very high0 Ų055.4 Ų55.40%032%0.318CS..Hα-helixtrans-63.6-35.5173-79170.3000112.3F201 T202 V205 L256 P257 S259 S260 C267F201-L263 HydrophobicContact CE1-CD2 4.47Å; T202-L263 HydrophobicContact CG2-CB 3.78Å; V205-L263 HydrophobicContact CB-CD1 4.42Å; V205-L263 HydrophobicContact CG1-CD1 3.9Å; V205-L263 HydrophobicContact CG1-CD2 4.12Å; L256-L263 HydrophobicContact CB-CD2 4.32Å; P257-L263 HydrophobicContact CB-CD2 4.4Å; P257-L263 HydrophobicContact CB-CG 4.31Å; P257-L263 HydrophobicContact CG-CD2 4.47Å; P257-L263 WeakPolarHBondContact O-CG 3.39Å; S259-L263 WeakPolarHBondContact O-CG 3.35Å; S259-L263 PolarHBondContact O-N 3.37Å; S260-L263 PolarHBondContact O-N 3.14Å; L263-C267 WeakPolarHBondContact O-CB 3.14Å; L263-C267 PolarHBondContact O-N 3.3Å
264E96.8Very high96.6Very high52 Ų5253.4 Ų53.424%0.24331%0.306CS..Hα-helixtrans-63.7-47.7172.8164.1170.1-175.900111.5S198 T202 S260 T261 E262 C267 R268S198-E264 VanDerWaalsContact OG-CG 3.23Å; S198-E264 WeakPolarHBondContact OG-CG 3.42Å; T202-E264 HydrophobicContact CG2-CB 4.1Å; S260-E264 PolarHBondContact O-N 2.93Å; T261-E264 WeakPolarHBondContact O-CB 3.21Å; T261-E264 PolarHBondContact O-N 3.37Å; E262-E264 VanDerWaalsContact C-N 3.29Å; E262-E264 PolarHBondContact O-N 2.82Å; E264-C267 PolarHBondContact O-N 3.18Å; E264-R268 PolarHBondContact O-N 2.88Å; E264-R268 IonicContact OE1-CZ 3.28Å; E264-R268 IonicContact OE1-NH1 3.98Å; E264-R268 PolarHBondContact OE1-NH1 3.2Å; E264-R268 IonicContact OE1-NH2 3.99Å; E264-R268 PolarHBondContact OE1-NH2 3.01Å
265S97Very high96.8Very high52 Ų5249.2 Ų49.236%0.36428%0.275SS..Hα-helixtrans-60.2-45.3174.5-63.70000111.6T261 E262 C267 R268 E269T261-S265 PolarHBondContact O-N 3.46Å; T261-S265 VanDerWaalsContact O-N 3.09Å; T261-S265 PolarHBondContact O-OG 3.44Å; E262-S265 PolarHBondContact O-N 3.42Å; S265-C267 VanDerWaalsContact C-N 3.31Å; S265-C267 PolarHBondContact O-N 2.78Å; S265-R268 WeakPolarHBondContact O-CB 3.48Å; S265-R268 PolarHBondContact O-N 2.77Å; S265-R268 VanDerWaalsContact O-N 3.11Å; S265-E269 WeakPolarHBondContact O-CG 3.2Å; S265-E269 PolarHBondContact O-N 3.07Å
266W97.9Very high96.8Very high20 Ų2046.3 Ų46.38%0.07627%0.265CS..Hα-helixtrans-57.4-43.2175.9-179.498.4000111.8I83 F201 V217 Y251 L256 P257 E262 E269 R270I83-W266 HydrophobicContact CD1-CH2 3.95Å; I83-W266 HydrophobicContact CD1-CZ3 3.7Å; F201-W266 AromaticContact CE1-CE3 3.89Å; F201-W266 HydrophobicContact CE1-CE3 3.89Å; F201-W266 HydrophobicContact CE1-CZ3 4.06Å; F201-W266 HydrophobicContact CE2-CZ3 4.25Å; F201-W266 AromaticContact CZ-CE3 3.71Å; F201-W266 HydrophobicContact CZ-CE3 3.71Å; F201-W266 AromaticContact CZ-CZ3 3.44Å; F201-W266 HydrophobicContact CZ-CZ3 3.44Å; F201-W266 VanDerWaalsContact CZ-CZ3 3.44Å; V217-W266 HydrophobicContact CB-CH2 4.37Å; V217-W266 HydrophobicContact CG1-CH2 3.77Å; V217-W266 HydrophobicContact CG1-CZ3 4.25Å; Y251-W266 HydrophobicContact CD1-CZ2 4Å; Y251-W266 HydrophobicContact CD2-CH2 4.12Å; Y251-W266 AromaticContact CD2-CZ2 3.73Å; Y251-W266 HydrophobicContact CD2-CZ2 3.73Å; Y251-W266 HydrophobicContact CE1-CZ2 4.33Å; Y251-W266 HydrophobicContact CE2-CH2 4.5Å; Y251-W266 HydrophobicContact CE2-CZ2 4.08Å; Y251-W266 HydrophobicContact CG-CH2 4.43Å; Y251-W266 AromaticContact CG-CZ2 3.68Å; Y251-W266 HydrophobicContact CG-CZ2 3.68Å; L256-W266 HydrophobicContact CD2-CD2 4.44Å; L256-W266 HydrophobicContact CD2-CH2 4.15Å; L256-W266 HydrophobicContact CD2-CZ2 3.69Å; P257-W266 HydrophobicContact CG-CB 3.96Å; P257-W266 HydrophobicContact CG-CG 4.16Å; E262-W266 VanDerWaalsContact O-CB 3.27Å; E262-W266 WeakPolarHBondContact O-CB 3.37Å; E262-W266 PolarHBondContact O-N 3.09Å; W266-E269 PolarHBondContact O-N 3.08Å; W266-R270 HydrophobicContact CD2-CG 4.15Å; W266-R270 HydrophobicContact CE3-CG 4.02Å; W266-R270 HydrophobicContact CH2-CG 3.7Å; W266-R270 HydrophobicContact CZ2-CG 3.85Å; W266-R270 HydrophobicContact CZ3-CG 3.79Å; W266-R270 WeakPolarHBondContact O-CG 3.49Å; W266-R270 PolarHBondContact O-N 2.96Å; W266-R270 PolarHBondContact O-NH1 2.86Å
267C98.1Very high96.8Very high0 Ų047.2 Ų47.20%027%0.268CS..Hα-helixtrans-63.7-43.1176.5-173.50000111.4F201 L263 E264 S265 E269 R270 W271F201-C267 HydrophobicContact CD1-CB 3.75Å; F201-C267 HydrophobicContact CE1-CB 3.8Å; L263-C267 WeakPolarHBondContact O-CB 3.14Å; L263-C267 PolarHBondContact O-N 3.3Å; E264-C267 PolarHBondContact O-N 3.18Å; S265-C267 VanDerWaalsContact C-N 3.31Å; S265-C267 PolarHBondContact O-N 2.78Å; C267-E269 PolarHBondContact O-N 3.19Å; C267-R270 PolarHBondContact O-N 2.82Å; C267-W271 PolarHBondContact O-N 3.06Å; C267-W271 VanDerWaalsContact O-N 3.1Å
268R97Very high96.9Very high94 Ų9445.8 Ų45.836%0.35526%0.259SS..Hα-helixtrans-61.5-41.7175.6-72.5177.8174.8148.66.1112.4P196 E264 S265 W271 A272P196-R268 HydrophobicContact CG-CG 4.24Å; E264-R268 PolarHBondContact O-N 2.88Å; E264-R268 IonicContact OE1-CZ 3.28Å; E264-R268 IonicContact OE1-NH1 3.98Å; E264-R268 PolarHBondContact OE1-NH1 3.2Å; E264-R268 IonicContact OE1-NH2 3.99Å; E264-R268 PolarHBondContact OE1-NH2 3.01Å; S265-R268 WeakPolarHBondContact O-CB 3.48Å; S265-R268 PolarHBondContact O-N 2.77Å; S265-R268 VanDerWaalsContact O-N 3.11Å; R268-W271 PolarHBondContact O-N 3.01Å; R268-A272 PolarHBondContact O-N 3.08Å
269E97.5Very high97.1Very high101 Ų10147 Ų4747%0.47225%0.248SC..Hα-helixtrans-61.6-44.5175.5-71.3170.1-165.300112S265 W266 C267 W271 A272 E273S265-E269 WeakPolarHBondContact O-CG 3.2Å; S265-E269 PolarHBondContact O-N 3.07Å; W266-E269 PolarHBondContact O-N 3.08Å; C267-E269 PolarHBondContact O-N 3.19Å; E269-W271 PolarHBondContact O-N 3.2Å; E269-A272 WeakPolarHBondContact O-CB 3.43Å; E269-A272 PolarHBondContact O-N 3.01Å; E269-A272 VanDerWaalsContact O-N 3.11Å; E269-E273 PolarHBondContact O-N 2.79Å
270R98.2Very high97.1Very high19 Ų1948.9 Ų48.97%0.07225%0.254CS..Hα-helixtrans-59.2-37.8175.1-63.8-5583.565.1-0.9111.3Y251 W266 C267 E273 K274Y251-R270 WeakPolarHBondContact OH-CD 3.4Å; W266-R270 HydrophobicContact CD2-CG 4.15Å; W266-R270 HydrophobicContact CE3-CG 4.02Å; W266-R270 HydrophobicContact CH2-CG 3.7Å; W266-R270 HydrophobicContact CZ2-CG 3.85Å; W266-R270 HydrophobicContact CZ3-CG 3.79Å; W266-R270 WeakPolarHBondContact O-CG 3.49Å; W266-R270 PolarHBondContact O-N 2.96Å; W266-R270 PolarHBondContact O-NH1 2.86Å; C267-R270 PolarHBondContact O-N 2.82Å; R270-E273 IonicContact CZ-OE1 3.11Å; R270-E273 IonicContact NE-OE1 3.81Å; R270-E273 PolarHBondContact NE-OE1 3.34Å; R270-E273 IonicContact NE-OE2 3.84Å; R270-E273 IonicContact NH2-OE1 2.67Å; R270-E273 PolarHBondContact NH2-OE1 2.97Å; R270-E273 WeakPolarHBondContact O-CB 3.4Å; R270-E273 PolarHBondContact O-N 3.18Å; R270-K274 WeakPolarHBondContact O-CG 3.37Å; R270-K274 PolarHBondContact O-N 3.35Å
271W98.1Very high97.2Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-67.8-37.9174.4-103.1-104.8000113.4I83 P165 E166 M190 L194 P196 C267 R268 E269 E273 K274 E275I83-W271 HydrophobicContact CB-CH2 4.19Å; I83-W271 HydrophobicContact CB-CZ3 4.4Å; I83-W271 HydrophobicContact CD1-CZ3 4.14Å; I83-W271 HydrophobicContact CG1-CZ3 4.48Å; P165-W271 HydrophobicContact CB-CH2 3.61Å; P165-W271 HydrophobicContact CB-CZ2 3.82Å; P165-W271 HydrophobicContact CB-CZ3 4.05Å; P165-W271 HydrophobicContact CG-CH2 3.27Å; P165-W271 HydrophobicContact CG-CZ2 3.93Å; P165-W271 HydrophobicContact CG-CZ3 3.77Å; E166-W271 HydrophobicContact CG-CZ2 4.06Å; E166-W271 VanDerWaalsContact CG-NE1 3.26Å; E166-W271 PolarHBondContact OE1-NE1 3.2Å; M190-W271 HydrophobicContact CE-CB 4.28Å; L194-W271 PolarHBondContact O-NE1 2.97Å; P196-W271 HydrophobicContact CB-CD2 3.71Å; P196-W271 HydrophobicContact CB-CE3 4.03Å; P196-W271 HydrophobicContact CB-CG 3.97Å; P196-W271 HydrophobicContact CG-CB 3.85Å; P196-W271 HydrophobicContact CG-CD2 3.83Å; P196-W271 HydrophobicContact CG-CE3 4.18Å; P196-W271 HydrophobicContact CG-CG 3.65Å; C267-W271 PolarHBondContact O-N 3.06Å; C267-W271 VanDerWaalsContact O-N 3.1Å; R268-W271 PolarHBondContact O-N 3.01Å; E269-W271 PolarHBondContact O-N 3.2Å; W271-E273 VanDerWaalsContact C-N 3.33Å; W271-K274 PolarHBondContact O-N 2.95Å; W271-E275 PolarHBondContact O-N 3.5Å
272A98.1Very high97.2Very high53 Ų5342.6 Ų42.644%0.43821%0.21SC..Hα-helixtrans-62.8-40.8172.500000111.6R268 E269 E275 S276R268-A272 PolarHBondContact O-N 3.08Å; E269-A272 WeakPolarHBondContact O-CB 3.43Å; E269-A272 PolarHBondContact O-N 3.01Å; E269-A272 VanDerWaalsContact O-N 3.11Å; A272-E275 PolarHBondContact O-N 3.2Å; A272-S276 PolarHBondContact O-N 2.99Å; A272-S276 VanDerWaalsContact O-N 3.1Å
273E97.9Very high97.1Very high55 Ų5541.6 Ų41.626%0.25721%0.214SC..Hα-helixtrans-63.1-40.6172.6-71.9176.7-144.300112.2R249 E269 R270 W271 S276 R277R249-E273 IonicContact NH1-OE2 2.82Å; R249-E273 PolarHBondContact NH1-OE2 3.1Å; E269-E273 PolarHBondContact O-N 2.79Å; R270-E273 IonicContact CZ-OE1 3.11Å; R270-E273 IonicContact NE-OE1 3.81Å; R270-E273 PolarHBondContact NE-OE1 3.34Å; R270-E273 IonicContact NE-OE2 3.84Å; R270-E273 IonicContact NH2-OE1 2.67Å; R270-E273 PolarHBondContact NH2-OE1 2.97Å; R270-E273 WeakPolarHBondContact O-CB 3.4Å; R270-E273 PolarHBondContact O-N 3.18Å; W271-E273 VanDerWaalsContact C-N 3.33Å; E273-S276 PolarHBondContact O-N 2.83Å; E273-R277 VanDerWaalsContact O-CB 3.27Å; E273-R277 WeakPolarHBondContact O-CB 3.31Å; E273-R277 PolarHBondContact O-N 3.05Å; E273-R277 IonicContact OE2-NH2 3.2Å
274K98.4Very high96.7Very high0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-62.3-43.5175-72.5-175.6-164.2-1610112N85 V193 D219 I220 T221 R270 W271 S276 R277 L278N85-K274 HydrophobicContact CB-CD 4.04Å; V193-K274 HydrophobicContact CG1-CB 4.23Å; D219-K274 WeakPolarHBondContact OD1-CE 3.45Å; D219-K274 IonicContact OD1-NZ 3.68Å; D219-K274 PolarHBondContact OD1-NZ 2.94Å; I220-K274 PolarHBondContact O-NZ 3.21Å; T221-K274 HydrophobicContact CG2-CG 4.43Å; R270-K274 WeakPolarHBondContact O-CG 3.37Å; R270-K274 PolarHBondContact O-N 3.35Å; W271-K274 PolarHBondContact O-N 2.95Å; K274-S276 VanDerWaalsContact C-N 3.35Å; K274-S276 PolarHBondContact O-N 3.5Å; K274-R277 PolarHBondContact O-N 3.23Å; K274-L278 VanDerWaalsContact O-CB 3.29Å; K274-L278 WeakPolarHBondContact O-CB 3.45Å; K274-L278 WeakPolarHBondContact O-CD1 3.43Å; K274-L278 VanDerWaalsContact O-CG 3.24Å; K274-L278 WeakPolarHBondContact O-CG 3.44Å; K274-L278 PolarHBondContact O-N 3.13Å
275E98.2Very high96.2Very high12 Ų1246.8 Ų46.86%0.05624%0.243CC..Hα-helixtrans-57.2-48.2176171.858.9-159.400111M190 E191 Y192 V193 W271 A272 R279M190-E275 HydrophobicContact CB-CG 4.47Å; M190-E275 HydrophobicContact CG-CG 4.36Å; E191-E275 VanDerWaalsContact N-CD 3.33Å; E191-E275 PolarHBondContact N-OE1 3.48Å; E191-E275 VanDerWaalsContact N-OE1 3.13Å; E191-E275 PolarHBondContact N-OE2 3.1Å; Y192-E275 PolarHBondContact N-OE2 3Å; V193-E275 HydrophobicContact CG2-CB 4.04Å; W271-E275 PolarHBondContact O-N 3.5Å; A272-E275 PolarHBondContact O-N 3.2Å; E275-R279 WeakPolarHBondContact O-CB 3.24Å; E275-R279 PolarHBondContact O-N 3.44Å; E275-R279 IonicContact OE1-CZ 2.78Å; E275-R279 IonicContact OE1-NE 2.8Å; E275-R279 IonicContact OE1-NH2 3.49Å; E275-R279 PolarHBondContact OE1-NH2 3.16Å
276S97.3Very high95.7Very high60 Ų6049.4 Ų49.442%0.4226%0.259SS..Hα-helixtrans-62.2-48.8175.6-167.30000111.7A272 E273 K274 L278 R279 D280A272-S276 PolarHBondContact O-N 2.99Å; A272-S276 VanDerWaalsContact O-N 3.1Å; E273-S276 PolarHBondContact O-N 2.83Å; K274-S276 VanDerWaalsContact C-N 3.35Å; K274-S276 PolarHBondContact O-N 3.5Å; S276-L278 VanDerWaalsContact C-N 3.32Å; S276-L278 PolarHBondContact O-N 3.1Å; S276-R279 WeakPolarHBondContact O-CB 3.4Å; S276-R279 PolarHBondContact O-N 3.01Å; S276-R279 VanDerWaalsContact O-N 3.16Å; S276-D280 VanDerWaalsContact O-CG 3.32Å; S276-D280 PolarHBondContact O-N 3.31Å
277R96.3Very high95.4Very high29 Ų2952.7 Ų52.711%0.10927%0.271CS..Hα-helixtrans-60.3-41.5-178.6-172.7-176.1-61.1106.811.4112.2T221 H247 E273 K274 F281 F289T221-R277 PolarHBondContact OG1-NH1 3.21Å; H247-R277 PolarHBondContact CD2-NE 2.81Å; E273-R277 VanDerWaalsContact O-CB 3.27Å; E273-R277 WeakPolarHBondContact O-CB 3.31Å; E273-R277 PolarHBondContact O-N 3.05Å; E273-R277 IonicContact OE2-NH2 3.2Å; K274-R277 PolarHBondContact O-N 3.23Å; R277-F281 VanDerWaalsContact O-CB 3.29Å; R277-F281 WeakPolarHBondContact O-CB 3.26Å; R277-F281 PolarHBondContact O-N 3.49Å; R277-F289 HydrophobicContact CG-CD1 4.04Å; R277-F289 HydrophobicContact CG-CE1 3.81Å
278L97.8Very high95Very high2 Ų252.9 Ų52.91%0.0127%0.273CS..Hα-helixtrans-71.1-37.3178-72165.1000111.4Y192 V193 T221 A223 K274 S276 F281 Y282 F289Y192-L278 HydrophobicContact CD1-CB 4.48Å; Y192-L278 HydrophobicContact CD2-CB 4.3Å; Y192-L278 HydrophobicContact CG-CB 3.87Å; V193-L278 HydrophobicContact CG1-CD1 3.55Å; T221-L278 HydrophobicContact CG2-CD1 4.08Å; T221-L278 HydrophobicContact CG2-CD2 3.68Å; T221-L278 HydrophobicContact CG2-CG 3.7Å; A223-L278 HydrophobicContact CB-CD2 3.73Å; K274-L278 VanDerWaalsContact O-CB 3.29Å; K274-L278 WeakPolarHBondContact O-CB 3.45Å; K274-L278 WeakPolarHBondContact O-CD1 3.43Å; K274-L278 VanDerWaalsContact O-CG 3.24Å; K274-L278 WeakPolarHBondContact O-CG 3.44Å; K274-L278 PolarHBondContact O-N 3.13Å; S276-L278 VanDerWaalsContact C-N 3.32Å; S276-L278 PolarHBondContact O-N 3.1Å; L278-F281 WeakPolarHBondContact O-CB 3.13Å; L278-F281 PolarHBondContact O-N 2.89Å; L278-Y282 HydrophobicContact CB-CD2 4.36Å; L278-Y282 HydrophobicContact CB-CE2 4.35Å; L278-Y282 HydrophobicContact CD2-CE2 3.96Å; L278-Y282 WeakPolarHBondContact O-CD2 3.45Å; L278-Y282 PolarHBondContact O-N 3.42Å; L278-F289 HydrophobicContact CD2-CZ 4.43Å
279R97Very high94.6Very high124 Ų12449.2 Ų49.247%0.46826%0.26SS..Hα-helixtrans-57.6-49.5172.1-174.9179.1-581793.2111.4Y192 E275 S276 F281 Y282 S283Y192-R279 HydrophobicContact CD2-CB 4.06Å; Y192-R279 VanDerWaalsContact CE2-CA 3.44Å; Y192-R279 HydrophobicContact CE2-CB 3.67Å; Y192-R279 HydrophobicContact CE2-CG 4.02Å; E275-R279 WeakPolarHBondContact O-CB 3.24Å; E275-R279 PolarHBondContact O-N 3.44Å; E275-R279 IonicContact OE1-CZ 2.78Å; E275-R279 IonicContact OE1-NE 2.8Å; E275-R279 IonicContact OE1-NH2 3.49Å; E275-R279 PolarHBondContact OE1-NH2 3.16Å; S276-R279 WeakPolarHBondContact O-CB 3.4Å; S276-R279 PolarHBondContact O-N 3.01Å; S276-R279 VanDerWaalsContact O-N 3.16Å; R279-F281 VanDerWaalsContact C-N 3.32Å; R279-F281 PolarHBondContact O-N 3.36Å; R279-Y282 PolarHBondContact O-N 2.88Å; R279-S283 WeakPolarHBondContact O-CB 3.37Å; R279-S283 PolarHBondContact O-N 2.84Å; R279-S283 PolarHBondContact O-OG 3.32Å
280D95Very high93.5Very high85 Ų8547.1 Ų47.146%0.45525%0.252SS..Hα-helixtrans-64.8-38178.3-62.3-25.5000112S276 S283 G284 R291S276-D280 VanDerWaalsContact O-CG 3.32Å; S276-D280 PolarHBondContact O-N 3.31Å; D280-S283 WeakPolarHBondContact CA-OG 3.23Å; D280-S283 PolarHBondContact O-OG 3.1Å; D280-G284 PolarHBondContact O-N 2.86Å; D280-R291 PolarHBondContact O-NH1 3.27Å
281F95.6Very high92.1Very high4 Ų450 Ų502%0.01826%0.263CS..Hα-helixtrans-60.5-51.1175.8179.7-86.8000111.7A223 P225 H245 R277 L278 R279 R287 F289 R291A223-F281 HydrophobicContact CB-CD1 3.75Å; A223-F281 HydrophobicContact CB-CD2 4.26Å; A223-F281 HydrophobicContact CB-CE1 3.53Å; A223-F281 HydrophobicContact CB-CE2 4.03Å; A223-F281 HydrophobicContact CB-CG 4.11Å; A223-F281 HydrophobicContact CB-CZ 3.68Å; P225-F281 HydrophobicContact CB-CE1 4.22Å; P225-F281 HydrophobicContact CB-CZ 3.86Å; P225-F281 HydrophobicContact CG-CZ 4.32Å; H245-F281 HydrophobicContact CB-CE2 3.96Å; H245-F281 HydrophobicContact CB-CZ 4.19Å; H245-F281 AromaticContact CG-CE2 3.88Å; H245-F281 AromaticContact ND1-CE2 3.59Å; R277-F281 VanDerWaalsContact O-CB 3.29Å; R277-F281 WeakPolarHBondContact O-CB 3.26Å; R277-F281 PolarHBondContact O-N 3.49Å; L278-F281 WeakPolarHBondContact O-CB 3.13Å; L278-F281 PolarHBondContact O-N 2.89Å; R279-F281 VanDerWaalsContact C-N 3.32Å; R279-F281 PolarHBondContact O-N 3.36Å; F281-R287 HydrophobicContact CD1-CB 4.49Å; F281-R287 HydrophobicContact CE1-CB 4.04Å; F281-R287 HydrophobicContact CZ-CB 4.12Å; F281-R287 WeakPolarHBondContact O-CG 3.5Å; F281-F289 HydrophobicContact CB-CD1 4.33Å; F281-F289 HydrophobicContact CB-CE1 3.88Å; F281-F289 AromaticContact CD2-CD1 3.53Å; F281-F289 HydrophobicContact CD2-CD1 3.53Å; F281-F289 HydrophobicContact CD2-CD2 4.35Å; F281-F289 AromaticContact CD2-CE1 3.46Å; F281-F289 HydrophobicContact CD2-CE1 3.46Å; F281-F289 VanDerWaalsContact CD2-CE1 3.46Å; F281-F289 HydrophobicContact CD2-CE2 4.31Å; F281-F289 AromaticContact CD2-CG 3.98Å; F281-F289 HydrophobicContact CD2-CG 3.98Å; F281-F289 AromaticContact CD2-CZ 3.89Å; F281-F289 HydrophobicContact CD2-CZ 3.89Å; F281-F289 HydrophobicContact CE2-CD1 4.27Å; F281-F289 HydrophobicContact CE2-CD2 4.31Å; F281-F289 HydrophobicContact CE2-CE1 4.23Å; F281-F289 HydrophobicContact CE2-CE2 4.3Å; F281-F289 HydrophobicContact CE2-CG 4.29Å; F281-F289 HydrophobicContact CE2-CZ 4.26Å; F281-F289 HydrophobicContact CG-CD1 4.32Å; F281-F289 AromaticContact CG-CE1 3.9Å; F281-F289 HydrophobicContact CG-CE1 3.9Å; F281-F289 HydrophobicContact CG-CZ 4.36Å; F281-R291 PolarHBondContact O-NH2 3.46Å
282Y95.9Very high90Very high29 Ų2957.9 Ų57.911%0.11431%0.305CS..Hα-helixtrans-79.4-25.3-175-72.5-65.2000113.7Y192 Y224 L278 R279 R287Y192-Y282 AromaticContact CD1-CD2 3.4Å; Y192-Y282 HydrophobicContact CD1-CD2 3.4Å; Y192-Y282 AromaticContact CD1-CE2 3.8Å; Y192-Y282 HydrophobicContact CD1-CE2 3.8Å; Y192-Y282 HydrophobicContact CD1-CG 4.34Å; Y192-Y282 AromaticContact CE1-CD2 3.4Å; Y192-Y282 HydrophobicContact CE1-CD2 3.4Å; Y192-Y282 HydrophobicContact CE1-CE2 4.21Å; Y192-Y282 AromaticContact CE1-CG 3.92Å; Y192-Y282 HydrophobicContact CE1-CG 3.92Å; Y192-Y282 HydrophobicContact CG-CD2 4.27Å; Y224-Y282 PolarHBondContact N-OH 3.5Å; L278-Y282 HydrophobicContact CB-CD2 4.36Å; L278-Y282 HydrophobicContact CB-CE2 4.35Å; L278-Y282 HydrophobicContact CD2-CE2 3.96Å; L278-Y282 WeakPolarHBondContact O-CD2 3.45Å; L278-Y282 PolarHBondContact O-N 3.42Å; R279-Y282 PolarHBondContact O-N 2.88Å; Y282-R287 PolarHBondContact O-NE 2.79Å
283S94.2Very high87.9Confident82 Ų8259.6 Ų59.657%0.57333%0.328SS*.Hα-helixtrans-77.9-39.6178.368.20000113.1R279 D280R279-S283 WeakPolarHBondContact O-CB 3.37Å; R279-S283 PolarHBondContact O-N 2.84Å; R279-S283 PolarHBondContact O-OG 3.32Å; D280-S283 WeakPolarHBondContact CA-OG 3.23Å; D280-S283 PolarHBondContact O-OG 3.1Å
284G87.7Confident86.1Confident16 Ų1659.4 Ų59.417%0.16533%0.33CS..SBendtrans-85.4168.8-17600000114.8D280 R291D280-G284 PolarHBondContact O-N 2.86Å; G284-R291 PolarHBondContact O-NH2 3Å
285Q86.4Confident84.3Confident145 Ų14562.9 Ų62.968%0.67836%0.359SS*.SBendtrans-135.3130.3179.3-64.4-63.7-23.800110.3
286P87.2Confident83Confident107 Ų10770.1 Ų70.170%0.69539%0.386SS*.SBendcis-68.8148.3-6.430.8-35000111.5G288 R291P286-G288 PolarHBondContact O-N 3.21Å; P286-R291 VanDerWaalsContact O-CZ 3.32Å; P286-R291 PolarHBondContact O-NE 3.29Å; P286-R291 PolarHBondContact O-NH2 3.02Å
287R91.8Very high81.7Confident89 Ų8968.2 Ų68.234%0.33637%0.372SS..  trans-64.9119.4173.7-65.5-176176.6160.9-4.1110.3P225 F281 Y282P225-R287 HydrophobicContact CB-CB 3.63Å; P225-R287 WeakPolarHBondContact O-CD 3.23Å; P225-R287 PolarHBondContact O-NH1 2.97Å; F281-R287 HydrophobicContact CD1-CB 4.49Å; F281-R287 HydrophobicContact CE1-CB 4.04Å; F281-R287 HydrophobicContact CZ-CB 4.12Å; F281-R287 WeakPolarHBondContact O-CG 3.5Å; Y282-R287 PolarHBondContact O-NE 2.79Å
288G89.3Confident80.5Confident5 Ų572 Ų725%0.05240%0.4CS..  trans-174.9150.8-177.800000111.1P286 D290P286-G288 PolarHBondContact O-N 3.21Å; G288-D290 VanDerWaalsContact C-N 3.34Å
289F88.2Confident79.4Confident17 Ų1774.1 Ų74.18%0.07541%0.414CS..SBendtrans-83-14.7169.7-64.3-52.3000112.5T70 T221 A223 H245 H247 R277 L278 F281 R291T70-F289 HydrophobicContact CG2-CB 4.21Å; T70-F289 WeakPolarHBondContact OG1-CB 3.37Å; T221-F289 HydrophobicContact CG2-CE1 4.35Å; T221-F289 HydrophobicContact CG2-CZ 3.86Å; A223-F289 HydrophobicContact CB-CE1 4.45Å; A223-F289 HydrophobicContact CB-CE2 3.99Å; A223-F289 HydrophobicContact CB-CZ 3.56Å; H245-F289 HydrophobicContact CB-CD2 3.71Å; H245-F289 HydrophobicContact CB-CE2 3.7Å; H247-F289 HydrophobicContact CB-CB 4.35Å; H247-F289 HydrophobicContact CB-CD1 4.33Å; H247-F289 HydrophobicContact CB-CD2 3.64Å; H247-F289 HydrophobicContact CB-CE2 3.91Å; H247-F289 HydrophobicContact CB-CG 3.88Å; H247-F289 HydrophobicContact CB-CZ 4.38Å; R277-F289 HydrophobicContact CG-CD1 4.04Å; R277-F289 HydrophobicContact CG-CE1 3.81Å; L278-F289 HydrophobicContact CD2-CZ 4.43Å; F281-F289 HydrophobicContact CB-CD1 4.33Å; F281-F289 HydrophobicContact CB-CE1 3.88Å; F281-F289 AromaticContact CD2-CD1 3.53Å; F281-F289 HydrophobicContact CD2-CD1 3.53Å; F281-F289 HydrophobicContact CD2-CD2 4.35Å; F281-F289 AromaticContact CD2-CE1 3.46Å; F281-F289 HydrophobicContact CD2-CE1 3.46Å; F281-F289 VanDerWaalsContact CD2-CE1 3.46Å; F281-F289 HydrophobicContact CD2-CE2 4.31Å; F281-F289 AromaticContact CD2-CG 3.98Å; F281-F289 HydrophobicContact CD2-CG 3.98Å; F281-F289 AromaticContact CD2-CZ 3.89Å; F281-F289 HydrophobicContact CD2-CZ 3.89Å; F281-F289 HydrophobicContact CE2-CD1 4.27Å; F281-F289 HydrophobicContact CE2-CD2 4.31Å; F281-F289 HydrophobicContact CE2-CE1 4.23Å; F281-F289 HydrophobicContact CE2-CE2 4.3Å; F281-F289 HydrophobicContact CE2-CG 4.29Å; F281-F289 HydrophobicContact CE2-CZ 4.26Å; F281-F289 HydrophobicContact CG-CD1 4.32Å; F281-F289 AromaticContact CG-CE1 3.9Å; F281-F289 HydrophobicContact CG-CE1 3.9Å; F281-F289 HydrophobicContact CG-CZ 4.36Å; F289-R291 PolarHBondContact O-N 3.47Å
290D75.1Confident78.7Confident56 Ų5670.9 Ų70.930%0.29941%0.409SS..  trans-86.235-177.157-26000113.5T70 G288 R296T70-D290 HydrophobicContact CG2-CB 4Å; G288-D290 VanDerWaalsContact C-N 3.34Å; D290-R296 IonicContact OD2-CZ 2.84Å; D290-R296 IonicContact OD2-NE 3.66Å; D290-R296 PolarHBondContact OD2-NE 3.26Å; D290-R296 IonicContact OD2-NH2 3.12Å; D290-R296 PolarHBondContact OD2-NH2 2.82Å
291R69.3Low78.3Confident79 Ų7967.5 Ų67.530%0.29839%0.391SS..  trans-84.5142.8171.2-60.3-171.2-170.2139.69.5110D280 F281 G284 P286 F289D280-R291 PolarHBondContact O-NH1 3.27Å; F281-R291 PolarHBondContact O-NH2 3.46Å; G284-R291 PolarHBondContact O-NH2 3Å; P286-R291 VanDerWaalsContact O-CZ 3.32Å; P286-R291 PolarHBondContact O-NE 3.29Å; P286-R291 PolarHBondContact O-NH2 3.02Å; F289-R291 PolarHBondContact O-N 3.47Å
292D54.1Low78Confident166 Ų16670.6 Ų70.689%0.88841%0.413SS*.THydrogen-bonded Turntrans25.3100174.5-62-33000116.4V294D292-V294 VanDerWaalsContact C-N 3.34Å; D292-V294 PolarHBondContact O-N 2.99Å
293G53.9Low77.7Confident89 Ų8974.2 Ų74.292%0.91843%0.431SS*.THydrogen-bonded Turntrans82.3-3.8168.800000116.4A295G293-A295 PolarHBondContact O-N 3.48Å
294V59.7Low77.7Confident51 Ų5176.5 Ų76.531%0.30944%0.436SS..  trans-86.6103.9173.1-176.80000110.2T70 D292T70-V294 HydrophobicContact CG2-CG1 4.5Å; D292-V294 VanDerWaalsContact C-N 3.34Å; D292-V294 PolarHBondContact O-N 2.99Å
295A59.6Low78Confident73 Ų7382.4 Ų82.460%0.60345%0.453SS*.PPolyproline II helixtrans-63.7137.1177.900000111.4G293 V297G293-A295 PolarHBondContact O-N 3.48Å; A295-V297 PolarHBondContact O-N 3.18Å
296R72.8Confident78.5Confident164 Ų16475.5 Ų75.562%0.61942%0.421SS*.BIsolated β-bridgetrans-65.9130.9160.9-70.3-174.3-179.2169.45107.7D290D290-R296 IonicContact OD2-CZ 2.84Å; D290-R296 IonicContact OD2-NE 3.66Å; D290-R296 PolarHBondContact OD2-NE 3.26Å; D290-R296 IonicContact OD2-NH2 3.12Å; D290-R296 PolarHBondContact OD2-NH2 2.82Å
297V69.3Low78.9Confident21 Ų2171.7 Ų71.713%0.12740%0.401CS..PPolyproline II helixtrans-70134.1-179.5-162.20000108.3G71 Y102 A295G71-V297 WeakPolarHBondContact O-CG2 3.47Å; Y102-V297 HydrophobicContact CD1-CG1 4.25Å; Y102-V297 HydrophobicContact CE1-CB 3.61Å; Y102-V297 HydrophobicContact CE1-CG1 3.61Å; Y102-V297 PolarHBondContact OH-O 3.13Å; A295-V297 PolarHBondContact O-N 3.18Å
298P69.9Low79.2Confident108 Ų10872.7 Ų72.770%0.70141%0.412SS*.PPolyproline II helixtrans-66.8127.9168.725.3-31.1000109.1Y102Y102-P298 WeakPolarHBondContact CE1-O 3.41Å
299P75.6Confident79.6Confident47 Ų4775 Ų7531%0.30542%0.423SS..PPolyproline II helixtrans-69.2144.6-178.930.8-36.3000111.4R101 Y102 K301R101-P299 HydrophobicContact CB-CB 4.42Å; Y102-P299 VanDerWaalsContact CE1-CA 3.44Å; Y102-P299 HydrophobicContact CE1-CB 4.19Å; Y102-P299 HydrophobicContact CE2-CB 4.27Å; P299-K301 VanDerWaalsContact CB-O 3.3Å; P299-K301 WeakPolarHBondContact CB-O 3.21Å; P299-K301 WeakPolarHBondContact CG-O 3.48Å; P299-K301 PolarHBondContact O-N 3.22Å
300C82.3Confident80Confident55 Ų5574.9 Ų74.937%0.37242%0.422SS..SBendtrans-70.7-17.4177.282.20000112.6P76 R101 Y102P76-C300 HydrophobicContact CG-CB 3.67Å; R101-C300 PolarHBondContact O-N 3.26Å; R101-C300 PolarHBondContact O-SG 2.94Å; Y102-C300 VanDerWaalsContact CA-SG 3.53Å; Y102-C300 PolarHBondContact O-SG 2.91Å
301K86.7Confident81.1Confident15 Ų1574.3 Ų74.37%0.06543%0.425CS..SBendtrans-118.7135.2169.7-62.7179.4-15568.40109L100 R101 S103 P299 V306 I309L100-K301 WeakPolarHBondContact O-CD 3.35Å; L100-K301 WeakPolarHBondContact O-CE 3.44Å; L100-K301 PolarHBondContact O-NZ 3.41Å; R101-K301 PolarHBondContact O-N 3.32Å; S103-K301 PolarHBondContact O-NZ 3.05Å; P299-K301 VanDerWaalsContact CB-O 3.3Å; P299-K301 WeakPolarHBondContact CB-O 3.21Å; P299-K301 WeakPolarHBondContact CG-O 3.48Å; P299-K301 PolarHBondContact O-N 3.22Å; K301-V306 HydrophobicContact CB-CG2 3.72Å; K301-I309 HydrophobicContact CD-CD1 4.31Å
302S89.5Confident82.5Confident68 Ų6873.4 Ų73.448%0.47644%0.435SS..  trans-59.4150.8174.965.70000111.6L304 R305 V306S302-L304 PolarHBondContact O-N 3.37Å; S302-R305 WeakPolarHBondContact O-CB 3.41Å; S302-R305 PolarHBondContact O-N 3.27Å; S302-R305 WeakPolarHBondContact OG-CB 3.22Å; S302-R305 PolarHBondContact OG-N 3.16Å; S302-V306 WeakPolarHBondContact O-CG2 3.43Å; S302-V306 PolarHBondContact O-N 3.32Å
303E90Very high84.6Confident105 Ų10565.9 Ų65.949%0.49140%0.395SS..Hα-helixtrans-57.5-35.3177.5-69.6-58.9136.200112R101 V306 G307R101-E303 IonicContact NE-OE1 2.97Å; R101-E303 IonicContact NE-OE2 2.67Å; R101-E303 IonicContact NH2-OE2 2.68Å; E303-V306 PolarHBondContact O-N 2.51Å; E303-G307 PolarHBondContact O-N 2.79Å
304L93.8Very high86.7Confident130 Ų13063.1 Ų63.168%0.68136%0.359SS*.Hα-helixtrans-60.8-48.1173.1179.663.9000111.6S302 V306 G307 L308S302-L304 PolarHBondContact O-N 3.37Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 PolarHBondContact O-N 2.86Å; L304-G307 PolarHBondContact O-N 3.02Å; L304-L308 HydrophobicContact CD1-CD1 4.44Å; L304-L308 HydrophobicContact CD1-CG 4.38Å; L304-L308 HydrophobicContact CG-CD1 4.24Å; L304-L308 WeakPolarHBondContact O-CG 3.22Å; L304-L308 PolarHBondContact O-N 2.59Å
305R94.8Very high88.6Confident141 Ų14166 Ų6653%0.53238%0.377SS..Hα-helixtrans-62.1-42.8179-176.7177.8-177.9-178.94111.2S302 L308 I309S302-R305 WeakPolarHBondContact O-CB 3.41Å; S302-R305 PolarHBondContact O-N 3.27Å; S302-R305 WeakPolarHBondContact OG-CB 3.22Å; S302-R305 PolarHBondContact OG-N 3.16Å; R305-L308 PolarHBondContact O-N 2.75Å; R305-I309 HydrophobicContact CG-CD1 4.04Å; R305-I309 VanDerWaalsContact O-CG1 3.27Å; R305-I309 WeakPolarHBondContact O-CG1 3.25Å; R305-I309 PolarHBondContact O-N 3.3Å
306V94.9Very high90.4Very high0 Ų067.4 Ų67.40%037%0.367CS..Hα-helixtrans-64.6-42.5177.2175.60000110.5L100 R101 K301 S302 E303 L304 I309 K310L100-V306 HydrophobicContact CD2-CG1 4.13Å; L100-V306 HydrophobicContact CG-CG1 4.4Å; R101-V306 HydrophobicContact CG-CG1 4.08Å; R101-V306 HydrophobicContact CG-CG2 3.99Å; K301-V306 HydrophobicContact CB-CG2 3.72Å; S302-V306 WeakPolarHBondContact O-CG2 3.43Å; S302-V306 PolarHBondContact O-N 3.32Å; E303-V306 PolarHBondContact O-N 2.51Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 PolarHBondContact O-N 2.86Å; V306-I309 PolarHBondContact O-N 3.47Å; V306-K310 HydrophobicContact CG1-CD 4.43Å; V306-K310 WeakPolarHBondContact O-CG 3.27Å; V306-K310 PolarHBondContact O-N 3.24Å
307G96.4Very high91.7Very high26 Ų2659.8 Ų59.827%0.26834%0.338SS..Hα-helixtrans-57.9-48173.700000112.8E303 L304 K310 A311E303-G307 PolarHBondContact O-N 2.79Å; L304-G307 PolarHBondContact O-N 3.02Å; G307-K310 PolarHBondContact O-N 3.12Å; G307-A311 WeakPolarHBondContact O-CB 3.46Å; G307-A311 PolarHBondContact O-N 2.9Å
308L97.6Very high93Very high111 Ų11162.1 Ų62.158%0.58136%0.355SS*.Hα-helixtrans-63.1-43.3177.6-70.8174.3000112.3L304 R305 K310 A311 A312L304-L308 HydrophobicContact CD1-CD1 4.44Å; L304-L308 HydrophobicContact CD1-CG 4.38Å; L304-L308 HydrophobicContact CG-CD1 4.24Å; L304-L308 WeakPolarHBondContact O-CG 3.22Å; L304-L308 PolarHBondContact O-N 2.59Å; R305-L308 PolarHBondContact O-N 2.75Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.94Å; L308-A311 PolarHBondContact O-N 3.33Å; L308-A312 VanDerWaalsContact O-CB 3.28Å; L308-A312 WeakPolarHBondContact O-CB 3.5Å; L308-A312 PolarHBondContact O-N 2.85Å
309I97.6Very high94.4Very high52 Ų5258.9 Ų58.927%0.26734%0.342SS..Hα-helixtrans-59.8-45.6176-69163.7000110.3T53 L100 K301 R305 V306 S313T53-I309 HydrophobicContact CG2-CG2 4.1Å; L100-I309 HydrophobicContact CD1-CG2 4.06Å; K301-I309 HydrophobicContact CD-CD1 4.31Å; R305-I309 HydrophobicContact CG-CD1 4.04Å; R305-I309 VanDerWaalsContact O-CG1 3.27Å; R305-I309 WeakPolarHBondContact O-CG1 3.25Å; R305-I309 PolarHBondContact O-N 3.3Å; V306-I309 PolarHBondContact O-N 3.47Å; I309-S313 VanDerWaalsContact O-CB 3.27Å; I309-S313 WeakPolarHBondContact O-CB 3.45Å; I309-S313 PolarHBondContact O-N 2.93Å
310K98.1Very high95.5Very high16 Ų1657.7 Ų57.77%0.0733%0.332CS..Hα-helixtrans-64-44.3179.2-71-177-61.6178.90112.1V56 S57 E60 L61 L100 V306 G307 L308 S313 L314V56-K310 HydrophobicContact CG1-CD 4.22Å; V56-K310 HydrophobicContact CG1-CG 4.5Å; S57-K310 WeakPolarHBondContact CB-O 3.43Å; S57-K310 WeakPolarHBondContact OG-CA 3.45Å; S57-K310 PolarHBondContact OG-O 3.28Å; E60-K310 HydrophobicContact CB-CD 4.16Å; E60-K310 IonicContact OE2-NZ 2.69Å; E60-K310 PolarHBondContact OE2-NZ 3.26Å; L61-K310 HydrophobicContact CD1-CB 3.52Å; L61-K310 HydrophobicContact CG-CB 4.03Å; L61-K310 HydrophobicContact CG-CD 4.34Å; L100-K310 HydrophobicContact CD2-CD 4.41Å; L100-K310 HydrophobicContact CD2-CG 3.88Å; V306-K310 HydrophobicContact CG1-CD 4.43Å; V306-K310 WeakPolarHBondContact O-CG 3.27Å; V306-K310 PolarHBondContact O-N 3.24Å; G307-K310 PolarHBondContact O-N 3.12Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.94Å; K310-S313 WeakPolarHBondContact O-CB 3.46Å; K310-S313 PolarHBondContact O-N 3.47Å; K310-L314 PolarHBondContact O-N 3.05Å
311A98.3Very high96.3Very high44 Ų4456.1 Ų56.136%0.36432%0.32SS..Hα-helixtrans-63.4-47.4178.300000111.6L61 G307 L308 S313 L314 V315L61-A311 HydrophobicContact CD1-CB 4.45Å; G307-A311 WeakPolarHBondContact O-CB 3.46Å; G307-A311 PolarHBondContact O-N 2.9Å; L308-A311 PolarHBondContact O-N 3.33Å; A311-S313 VanDerWaalsContact C-N 3.3Å; A311-S313 PolarHBondContact O-N 3.45Å; A311-L314 PolarHBondContact O-N 3.24Å; A311-V315 WeakPolarHBondContact O-CG2 3.39Å; A311-V315 PolarHBondContact O-N 3.34Å; A311-V315 VanDerWaalsContact O-N 3.09Å
312A98.4Very high96.8Very high60 Ų6058.2 Ų58.250%0.49634%0.34SS..Hα-helixtrans-60.1-40.5176.100000111.8L308 V315 Y316L308-A312 VanDerWaalsContact O-CB 3.28Å; L308-A312 WeakPolarHBondContact O-CB 3.5Å; L308-A312 PolarHBondContact O-N 2.85Å; A312-V315 PolarHBondContact O-N 3.42Å; A312-Y316 VanDerWaalsContact O-CB 3.24Å; A312-Y316 WeakPolarHBondContact O-CB 3.47Å; A312-Y316 PolarHBondContact O-N 3.07Å
313S98.3Very high97.3Very high8 Ų860.2 Ų60.26%0.05634%0.34CS..Hα-helixtrans-60.6-44.2175.9-1770000111.9T53 L54 S57 I309 K310 A311 W317T53-S313 WeakPolarHBondContact OG1-CB 3.46Å; T53-S313 PolarHBondContact OG1-OG 3.11Å; L54-S313 PolarHBondContact N-OG 3.1Å; S57-S313 WeakPolarHBondContact OG-CB 3.5Å; I309-S313 VanDerWaalsContact O-CB 3.27Å; I309-S313 WeakPolarHBondContact O-CB 3.45Å; I309-S313 PolarHBondContact O-N 2.93Å; K310-S313 WeakPolarHBondContact O-CB 3.46Å; K310-S313 PolarHBondContact O-N 3.47Å; A311-S313 VanDerWaalsContact C-N 3.3Å; A311-S313 PolarHBondContact O-N 3.45Å; S313-W317 WeakPolarHBondContact O-CB 3.48Å; S313-W317 VanDerWaalsContact O-CD1 3.23Å; S313-W317 PolarHBondContact O-N 3.36Å
314L98Very high97.7Very high30 Ų3055.2 Ų55.216%0.15732%0.317CS..Hα-helixtrans-63.1-48.6177.3-71.3175.1000111.5L54 L58 L61 V62 K310 A311 Y316 W317 S318L54-L314 HydrophobicContact CD1-CD2 4.18Å; L58-L314 HydrophobicContact CD2-CD2 3.8Å; L58-L314 HydrophobicContact CG-CD2 4.04Å; L61-L314 HydrophobicContact CB-CD1 3.98Å; L61-L314 HydrophobicContact CD1-CD1 3.88Å; V62-L314 HydrophobicContact CG2-CD1 3.93Å; V62-L314 HydrophobicContact CG2-CD2 4.3Å; K310-L314 PolarHBondContact O-N 3.05Å; A311-L314 PolarHBondContact O-N 3.24Å; L314-Y316 PolarHBondContact O-N 3.5Å; L314-W317 PolarHBondContact O-N 3.4Å; L314-S318 VanDerWaalsContact O-CB 3.27Å; L314-S318 WeakPolarHBondContact O-CB 3.45Å; L314-S318 PolarHBondContact O-N 2.81Å; L314-S318 PolarHBondContact O-OG 3.13Å; L314-S318 VanDerWaalsContact O-OG 3.08Å
315V98.4Very high97.9Very high113 Ų11353.7 Ų53.769%0.68531%0.305SS*.Hα-helixtrans-59.8-48.3179.6174.40000110.8A311 A312 G319A311-V315 WeakPolarHBondContact O-CG2 3.39Å; A311-V315 PolarHBondContact O-N 3.34Å; A311-V315 VanDerWaalsContact O-N 3.09Å; A312-V315 PolarHBondContact O-N 3.42Å; V315-G319 PolarHBondContact O-N 3.3Å
316Y98.6Very high98.1Very high102 Ų10249 Ų4940%0.430%0.296SS..Hα-helixtrans-59.4-53.9180172.8-97.9000111.8M25 A312 L314 G319 F320M25-Y316 WeakPolarHBondContact CE-OH 3.43Å; M25-Y316 PolarHBondContact SD-OH 2.88Å; A312-Y316 VanDerWaalsContact O-CB 3.24Å; A312-Y316 WeakPolarHBondContact O-CB 3.47Å; A312-Y316 PolarHBondContact O-N 3.07Å; L314-Y316 PolarHBondContact O-N 3.5Å; Y316-G319 PolarHBondContact O-N 3.11Å; Y316-F320 HydrophobicContact CE1-CB 4.5Å; Y316-F320 WeakPolarHBondContact O-CB 3.35Å; Y316-F320 PolarHBondContact O-N 2.85Å
317W98.5Very high98.3Very high4 Ų449 Ų492%0.01530%0.296CS..Hα-helixtrans-70.4-35.6-175-79.4104.7000112.9G17 M25 T50 W51 L54 S313 L314 F320 I321G17-W317 WeakPolarHBondContact O-CZ3 3Å; M25-W317 HydrophobicContact SD-CH2 3.74Å; M25-W317 HydrophobicContact SD-CZ2 4.39Å; M25-W317 HydrophobicContact SD-CZ3 4.35Å; T50-W317 PolarHBondContact O-NE1 2.91Å; W51-W317 VanDerWaalsContact CA-CZ2 3.42Å; W51-W317 HydrophobicContact CB-CH2 3.94Å; W51-W317 HydrophobicContact CB-CZ2 3.48Å; W51-W317 VanDerWaalsContact CB-CZ2 3.48Å; W51-W317 AromaticContact CD1-CH2 3.66Å; W51-W317 AromaticContact CD1-CZ2 3.76Å; W51-W317 AromaticContact CD1-CZ3 3.95Å; W51-W317 HydrophobicContact CG-CH2 4.2Å; W51-W317 HydrophobicContact CG-CZ2 4.03Å; L54-W317 HydrophobicContact CB-CG 4.14Å; L54-W317 HydrophobicContact CD1-CB 3.84Å; L54-W317 HydrophobicContact CD1-CG 4.15Å; L54-W317 HydrophobicContact CD2-CB 3.99Å; L54-W317 HydrophobicContact CD2-CD2 4.14Å; L54-W317 HydrophobicContact CD2-CG 3.87Å; L54-W317 HydrophobicContact CG-CB 4.39Å; L54-W317 HydrophobicContact CG-CG 4.27Å; S313-W317 WeakPolarHBondContact O-CB 3.48Å; S313-W317 VanDerWaalsContact O-CD1 3.23Å; S313-W317 PolarHBondContact O-N 3.36Å; L314-W317 PolarHBondContact O-N 3.4Å; W317-F320 AromaticContact CE3-CD1 3.69Å; W317-F320 HydrophobicContact CE3-CD1 3.69Å; W317-F320 HydrophobicContact CE3-CE1 4.25Å; W317-F320 AromaticContact CZ3-CD1 3.59Å; W317-F320 HydrophobicContact CZ3-CD1 3.59Å; W317-F320 AromaticContact CZ3-CE1 3.67Å; W317-F320 HydrophobicContact CZ3-CE1 3.67Å; W317-I321 WeakPolarHBondContact O-CB 3.26Å; W317-I321 WeakPolarHBondContact O-CD1 3.5Å; W317-I321 WeakPolarHBondContact O-CG1 3.24Å; W317-I321 PolarHBondContact O-N 3.35Å
318S98.1Very high98.4Very high69 Ų6950 Ų5048%0.48330%0.295SS..Hα-helixtrans-63.3-46.4172.7-67.40000111.5L314 A322L314-S318 VanDerWaalsContact O-CB 3.27Å; L314-S318 WeakPolarHBondContact O-CB 3.45Å; L314-S318 PolarHBondContact O-N 2.81Å; L314-S318 PolarHBondContact O-OG 3.13Å; L314-S318 VanDerWaalsContact O-OG 3.08Å; S318-A322 WeakPolarHBondContact O-CB 3.33Å; S318-A322 PolarHBondContact O-N 3.49Å; S318-A322 VanDerWaalsContact O-N 3.1Å
319G98.6Very high98.4Very high41 Ų4154.5 Ų54.542%0.42330%0.304SS..Hα-helixtrans-64.1-42.9176.300000112.7V315 Y316 A322 F323V315-G319 PolarHBondContact O-N 3.3Å; Y316-G319 PolarHBondContact O-N 3.11Å; G319-A322 PolarHBondContact O-N 2.95Å; G319-F323 WeakPolarHBondContact O-CB 3.37Å; G319-F323 PolarHBondContact O-N 3.45Å
320F98.7Very high98.4Very high22 Ų2257 Ų5710%0.09632%0.317CS..Hα-helixtrans-62.4-46.9178.1174.4-103.6000112.2F20 V24 M25 Y316 W317 A322 F323 C324F20-F320 HydrophobicContact CB-CE1 3.68Å; F20-F320 HydrophobicContact CB-CZ 4.18Å; V24-F320 HydrophobicContact CB-CE2 4.41Å; V24-F320 HydrophobicContact CB-CZ 4.04Å; V24-F320 HydrophobicContact CG1-CE2 4.21Å; V24-F320 HydrophobicContact CG1-CZ 4.34Å; M25-F320 HydrophobicContact CG-CE2 4.06Å; M25-F320 HydrophobicContact CG-CZ 3.81Å; M25-F320 HydrophobicContact SD-CE1 4.36Å; M25-F320 HydrophobicContact SD-CE2 4.31Å; M25-F320 HydrophobicContact SD-CZ 4.03Å; Y316-F320 HydrophobicContact CE1-CB 4.5Å; Y316-F320 WeakPolarHBondContact O-CB 3.35Å; Y316-F320 PolarHBondContact O-N 2.85Å; W317-F320 AromaticContact CE3-CD1 3.69Å; W317-F320 HydrophobicContact CE3-CD1 3.69Å; W317-F320 HydrophobicContact CE3-CE1 4.25Å; W317-F320 AromaticContact CZ3-CD1 3.59Å; W317-F320 HydrophobicContact CZ3-CD1 3.59Å; W317-F320 AromaticContact CZ3-CE1 3.67Å; W317-F320 HydrophobicContact CZ3-CE1 3.67Å; F320-A322 VanDerWaalsContact C-N 3.35Å; F320-A322 PolarHBondContact O-N 2.9Å; F320-F323 WeakPolarHBondContact O-CB 3.23Å; F320-F323 PolarHBondContact O-N 3.45Å; F320-C324 PolarHBondContact O-N 3.47Å; F320-C324 PolarHBondContact O-SG 3.37Å; F320-C324 VanDerWaalsContact O-SG 3.34Å
321I98.6Very high98.4Very high21 Ų2161.4 Ų61.411%0.10833%0.334CS..Hα-helixtrans-61.8-44.7177-69.8165.2000110.4L16 F20 W317 F323 C324 F325L16-I321 HydrophobicContact CB-CD1 4.04Å; L16-I321 HydrophobicContact CB-CG1 4.28Å; L16-I321 HydrophobicContact CB-CG2 4.16Å; L16-I321 HydrophobicContact CD1-CG2 4.15Å; F20-I321 HydrophobicContact CE2-CG2 4.46Å; W317-I321 WeakPolarHBondContact O-CB 3.26Å; W317-I321 WeakPolarHBondContact O-CD1 3.5Å; W317-I321 WeakPolarHBondContact O-CG1 3.24Å; W317-I321 PolarHBondContact O-N 3.35Å; I321-F323 VanDerWaalsContact C-N 3.33Å; I321-F323 PolarHBondContact O-N 2.84Å; I321-C324 PolarHBondContact O-N 3.42Å; I321-F325 HydrophobicContact CG2-CD2 3.8Å; I321-F325 HydrophobicContact CG2-CE2 3.6Å; I321-F325 VanDerWaalsContact O-CD2 3.26Å; I321-F325 WeakPolarHBondContact O-CD2 3.32Å; I321-F325 PolarHBondContact O-N 3.17Å
322A98.5Very high98.4Very high59 Ų5963.3 Ų63.349%0.48834%0.343SS..Hα-helixtrans-60.9-42.1176.500000111.9S318 G319 F320 F325 A326S318-A322 WeakPolarHBondContact O-CB 3.33Å; S318-A322 PolarHBondContact O-N 3.49Å; S318-A322 VanDerWaalsContact O-N 3.1Å; G319-A322 PolarHBondContact O-N 2.95Å; F320-A322 VanDerWaalsContact C-N 3.35Å; F320-A322 PolarHBondContact O-N 2.9Å; A322-F325 PolarHBondContact O-N 3.37Å; A322-A326 PolarHBondContact O-N 3.15Å
323F98.5Very high98.4Very high111 Ų11164.8 Ų64.849%0.48735%0.349SS..Hα-helixtrans-61.5-43.1175.1177.2-99.3000112.1G319 F320 I321 F325 A326 G327 W331G319-F323 WeakPolarHBondContact O-CB 3.37Å; G319-F323 PolarHBondContact O-N 3.45Å; F320-F323 WeakPolarHBondContact O-CB 3.23Å; F320-F323 PolarHBondContact O-N 3.45Å; I321-F323 VanDerWaalsContact C-N 3.33Å; I321-F323 PolarHBondContact O-N 2.84Å; F323-F325 PolarHBondContact O-N 3.39Å; F323-A326 PolarHBondContact O-N 2.89Å; F323-G327 PolarHBondContact O-N 3.03Å; F323-W331 HydrophobicContact CE2-CH2 4.02Å; F323-W331 HydrophobicContact CE2-CZ3 4.33Å; F323-W331 HydrophobicContact CZ-CH2 4.05Å; F323-W331 HydrophobicContact CZ-CZ3 4.01Å
324C98.6Very high98.4Very high0 Ų065.9 Ų65.90%035%0.353CS..Hα-helixtrans-62.2-41.2175.7-68.90000112.3F20 F320 I321 G327 L328 F334F20-C324 HydrophobicContact CB-CB 4.27Å; F20-C324 HydrophobicContact CD1-CB 3.59Å; F20-C324 HydrophobicContact CD2-CB 3.79Å; F20-C324 HydrophobicContact CE1-CB 3.73Å; F20-C324 HydrophobicContact CE2-CB 3.91Å; F20-C324 HydrophobicContact CG-CB 3.63Å; F20-C324 HydrophobicContact CZ-CB 3.89Å; F320-C324 PolarHBondContact O-N 3.47Å; F320-C324 PolarHBondContact O-SG 3.37Å; F320-C324 VanDerWaalsContact O-SG 3.34Å; I321-C324 PolarHBondContact O-N 3.42Å; C324-G327 PolarHBondContact O-N 3.46Å; C324-L328 WeakPolarHBondContact O-CG 3.2Å; C324-L328 PolarHBondContact O-N 3.06Å; C324-F334 WeakPolarHBondContact O-CE1 3.24Å
325F98.6Very high98.4Very high98 Ų9870.2 Ų70.243%0.4337%0.367SS..Hα-helixtrans-65.5-42.1174.3-79.8-64.2000112.7L16 F20 I321 A322 F323 G327 L328 W329L16-F325 HydrophobicContact CD1-CE2 3.91Å; L16-F325 HydrophobicContact CD1-CZ 4.05Å; L16-F325 HydrophobicContact CD2-CE2 4.22Å; L16-F325 HydrophobicContact CD2-CZ 3.74Å; F20-F325 HydrophobicContact CE2-CD2 4.23Å; F20-F325 HydrophobicContact CE2-CE1 4.35Å; F20-F325 AromaticContact CE2-CE2 3.92Å; F20-F325 HydrophobicContact CE2-CE2 3.92Å; F20-F325 AromaticContact CE2-CZ 3.98Å; F20-F325 HydrophobicContact CE2-CZ 3.98Å; F20-F325 HydrophobicContact CZ-CD1 4.35Å; F20-F325 HydrophobicContact CZ-CE1 4.17Å; F20-F325 HydrophobicContact CZ-CZ 4.26Å; I321-F325 HydrophobicContact CG2-CD2 3.8Å; I321-F325 HydrophobicContact CG2-CE2 3.6Å; I321-F325 VanDerWaalsContact O-CD2 3.26Å; I321-F325 WeakPolarHBondContact O-CD2 3.32Å; I321-F325 PolarHBondContact O-N 3.17Å; A322-F325 PolarHBondContact O-N 3.37Å; F323-F325 PolarHBondContact O-N 3.39Å; F325-G327 VanDerWaalsContact C-N 3.28Å; F325-G327 PolarHBondContact O-N 3.28Å; F325-L328 HydrophobicContact CD1-CD1 4.26Å; F325-L328 PolarHBondContact O-N 3.48Å; F325-W329 PolarHBondContact O-N 3.48Å
326A98.6Very high98.4Very high42 Ų4270 Ų7035%0.34736%0.362SS..Hα-helixtrans-59.1-41.8173.600000111.2A322 F323 W329 L330A322-A326 PolarHBondContact O-N 3.15Å; F323-A326 PolarHBondContact O-N 2.89Å; A326-W329 PolarHBondContact O-N 3.08Å; A326-L330 WeakPolarHBondContact O-CB 3.42Å; A326-L330 VanDerWaalsContact O-CG 3.27Å; A326-L330 WeakPolarHBondContact O-CG 3.34Å; A326-L330 PolarHBondContact O-N 2.95Å
327G98.5Very high98.4Very high0 Ų068.4 Ų68.40%036%0.356CS..Hα-helixtrans-63.3-41175.200000113.3F323 C324 F325 W329 W331F323-G327 PolarHBondContact O-N 3.03Å; C324-G327 PolarHBondContact O-N 3.46Å; F325-G327 VanDerWaalsContact C-N 3.28Å; F325-G327 PolarHBondContact O-N 3.28Å; G327-W329 VanDerWaalsContact C-N 3.28Å; G327-W329 PolarHBondContact O-N 3.34Å; G327-W331 PolarHBondContact O-N 3.32Å
328L98.4Very high98.4Very high46 Ų4668.9 Ų68.924%0.24136%0.359CS..Hα-helixtrans-63-36.2175.3-75.2175.1000112.1F20 C324 F325 F334 R335 V338F20-L328 HydrophobicContact CE1-CD1 3.86Å; F20-L328 HydrophobicContact CZ-CD1 3.81Å; C324-L328 WeakPolarHBondContact O-CG 3.2Å; C324-L328 PolarHBondContact O-N 3.06Å; F325-L328 HydrophobicContact CD1-CD1 4.26Å; F325-L328 PolarHBondContact O-N 3.48Å; L328-F334 HydrophobicContact CD2-CD1 4.04Å; L328-F334 HydrophobicContact CD2-CE1 4.13Å; L328-F334 HydrophobicContact CG-CD1 4.17Å; L328-F334 HydrophobicContact CG-CE1 3.99Å; L328-R335 HydrophobicContact CD2-CG 4.08Å; L328-R335 VanDerWaalsContact O-CD 3.29Å; L328-R335 WeakPolarHBondContact O-CD 3.35Å; L328-R335 WeakPolarHBondContact O-CG 3.25Å; L328-R335 PolarHBondContact O-NH1 3.05Å; L328-V338 HydrophobicContact CD2-CB 4.31Å; L328-V338 HydrophobicContact CD2-CG1 4.36Å; L328-V338 HydrophobicContact CD2-CG2 4.04Å
329W98.3Very high98.4Very high207 Ų20770.7 Ų70.778%0.78436%0.363SS*.Hα-helixtrans-71.7-49.4178.1-177.2-103.8000111.8F325 A326 G327F325-W329 PolarHBondContact O-N 3.48Å; A326-W329 PolarHBondContact O-N 3.08Å; G327-W329 VanDerWaalsContact C-N 3.28Å; G327-W329 PolarHBondContact O-N 3.34Å
330L98.3Very high98.4Very high103 Ų10372.2 Ų72.254%0.53936%0.364SS..Hα-helixtrans-86.9-31.2-168-64.1171.4000114.2A326A326-L330 WeakPolarHBondContact O-CB 3.42Å; A326-L330 VanDerWaalsContact O-CG 3.27Å; A326-L330 WeakPolarHBondContact O-CG 3.34Å; A326-L330 PolarHBondContact O-N 2.95Å
331W98.4Very high98.4Very high109 Ų10972 Ų7241%0.41336%0.363SS..  trans-121108-166-55.8-41000113.1F323 G327 S333 F334 R335F323-W331 HydrophobicContact CE2-CH2 4.02Å; F323-W331 HydrophobicContact CE2-CZ3 4.33Å; F323-W331 HydrophobicContact CZ-CH2 4.05Å; F323-W331 HydrophobicContact CZ-CZ3 4.01Å; G327-W331 PolarHBondContact O-N 3.32Å; W331-S333 VanDerWaalsContact C-N 3.26Å; W331-S333 PolarHBondContact O-N 2.8Å; W331-F334 HydrophobicContact CB-CB 3.82Å; W331-F334 HydrophobicContact CE3-CB 4.33Å; W331-F334 WeakPolarHBondContact O-CB 3.49Å; W331-F334 PolarHBondContact O-N 3.33Å; W331-F334 VanDerWaalsContact O-N 3.1Å; W331-R335 PolarHBondContact O-N 3.46Å
332P98.3Very high98.3Very high85 Ų8572.8 Ų72.855%0.55237%0.369SS*.Hα-helixtrans-57.5-36.8174.8-23.932.3000113.6F334 R335 L336P332-F334 VanDerWaalsContact C-N 3.33Å; P332-F334 PolarHBondContact O-N 2.7Å; P332-R335 WeakPolarHBondContact O-CB 3.32Å; P332-R335 PolarHBondContact O-N 3.37Å; P332-L336 PolarHBondContact O-N 2.92Å
333S98.1Very high98.3Very high91 Ų9173.6 Ų73.664%0.63637%0.368SS*.Hα-helixtrans-62.8-38.417652.50000112.3W331 L336 Y337W331-S333 VanDerWaalsContact C-N 3.26Å; W331-S333 PolarHBondContact O-N 2.8Å; S333-L336 PolarHBondContact O-N 3.1Å; S333-Y337 WeakPolarHBondContact O-CB 3.33Å; S333-Y337 PolarHBondContact O-N 2.79Å
334F98.4Very high98.2Very high30 Ų3071.2 Ų71.213%0.13236%0.362CS..Hα-helixtrans-67.5-38.5176.1-173.1-110000111.8V24 C324 L328 W331 P332 L336 Y337 V338V24-F334 HydrophobicContact CG2-CE2 3.98Å; V24-F334 HydrophobicContact CG2-CZ 3.78Å; C324-F334 WeakPolarHBondContact O-CE1 3.24Å; L328-F334 HydrophobicContact CD2-CD1 4.04Å; L328-F334 HydrophobicContact CD2-CE1 4.13Å; L328-F334 HydrophobicContact CG-CD1 4.17Å; L328-F334 HydrophobicContact CG-CE1 3.99Å; W331-F334 HydrophobicContact CB-CB 3.82Å; W331-F334 HydrophobicContact CE3-CB 4.33Å; W331-F334 WeakPolarHBondContact O-CB 3.49Å; W331-F334 PolarHBondContact O-N 3.33Å; W331-F334 VanDerWaalsContact O-N 3.1Å; P332-F334 VanDerWaalsContact C-N 3.33Å; P332-F334 PolarHBondContact O-N 2.7Å; F334-L336 PolarHBondContact O-N 3.39Å; F334-Y337 HydrophobicContact CD2-CD1 4.38Å; F334-Y337 HydrophobicContact CE2-CD1 4.33Å; F334-Y337 WeakPolarHBondContact O-CB 3.22Å; F334-Y337 PolarHBondContact O-N 3.23Å; F334-V338 HydrophobicContact CD1-CG2 4.2Å; F334-V338 HydrophobicContact CE1-CG2 3.88Å; F334-V338 HydrophobicContact CE2-CG2 4.32Å; F334-V338 HydrophobicContact CZ-CG2 3.95Å; F334-V338 WeakPolarHBondContact O-CG2 3.25Å; F334-V338 PolarHBondContact O-N 2.94Å
335R98.5Very high98.1Very high121 Ų12171.2 Ų71.246%0.45736%0.362SS..Hα-helixtrans-60.1-45172.5-66.3-171.1-73.5-1247.7112L328 W331 P332 V338 L339L328-R335 HydrophobicContact CD2-CG 4.08Å; L328-R335 VanDerWaalsContact O-CD 3.29Å; L328-R335 WeakPolarHBondContact O-CD 3.35Å; L328-R335 WeakPolarHBondContact O-CG 3.25Å; L328-R335 PolarHBondContact O-NH1 3.05Å; W331-R335 PolarHBondContact O-N 3.46Å; P332-R335 WeakPolarHBondContact O-CB 3.32Å; P332-R335 PolarHBondContact O-N 3.37Å; R335-V338 PolarHBondContact O-N 3.5Å; R335-L339 WeakPolarHBondContact O-CB 3.23Å; R335-L339 PolarHBondContact O-N 3.12Å
336L98.4Very high97.9Very high108 Ų10869.5 Ų69.557%0.56536%0.36SS*.Hα-helixtrans-62.3-44176.1-179.661.4000111.2P332 S333 F334 V338 L339 V340P332-L336 PolarHBondContact O-N 2.92Å; S333-L336 PolarHBondContact O-N 3.1Å; F334-L336 PolarHBondContact O-N 3.39Å; L336-V338 PolarHBondContact O-N 3.5Å; L336-L339 WeakPolarHBondContact O-CB 3.32Å; L336-L339 PolarHBondContact O-N 2.89Å; L336-V340 HydrophobicContact CD1-CG2 4.23Å; L336-V340 HydrophobicContact CG-CG2 4.43Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 2.93Å
337Y98.4Very high97.8Very high69 Ų6970.4 Ų70.427%0.27136%0.361SS..Hα-helixtrans-58.1-48.8175.7173.4-100.2000112.3I23 P28 S333 F334 L339 V340 M341I23-Y337 HydrophobicContact CG2-CD1 4.31Å; I23-Y337 HydrophobicContact CG2-CE1 3.87Å; I23-Y337 PolarHBondContact O-OH 3.04Å; P28-Y337 VanDerWaalsContact CD-OH 3.25Å; P28-Y337 WeakPolarHBondContact CD-OH 3.43Å; P28-Y337 VanDerWaalsContact CG-OH 3.32Å; P28-Y337 WeakPolarHBondContact CG-OH 3.29Å; S333-Y337 WeakPolarHBondContact O-CB 3.33Å; S333-Y337 PolarHBondContact O-N 2.79Å; F334-Y337 HydrophobicContact CD2-CD1 4.38Å; F334-Y337 HydrophobicContact CE2-CD1 4.33Å; F334-Y337 WeakPolarHBondContact O-CB 3.22Å; F334-Y337 PolarHBondContact O-N 3.23Å; Y337-L339 VanDerWaalsContact C-N 3.29Å; Y337-L339 PolarHBondContact O-N 3.4Å; Y337-V340 PolarHBondContact O-N 2.93Å; Y337-M341 HydrophobicContact CD1-CG 4.41Å; Y337-M341 HydrophobicContact CD2-CG 4.11Å; Y337-M341 HydrophobicContact CE1-CG 3.91Å; Y337-M341 HydrophobicContact CE2-CG 3.57Å; Y337-M341 HydrophobicContact CE2-SD 4.09Å; Y337-M341 VanDerWaalsContact CZ-CG 3.45Å; Y337-M341 WeakPolarHBondContact O-CB 3.24Å; Y337-M341 WeakPolarHBondContact O-CG 3.28Å; Y337-M341 PolarHBondContact O-N 3.29Å
338V98.4Very high97.6Very high15 Ų1571.2 Ų71.29%0.09137%0.365CS..Hα-helixtrans-59.1-42.1177.51670000111.2I23 L328 F334 R335 L336 T342I23-V338 HydrophobicContact CD1-CG1 4.2Å; I23-V338 HydrophobicContact CG2-CB 4.44Å; I23-V338 HydrophobicContact CG2-CG2 4.03Å; L328-V338 HydrophobicContact CD2-CB 4.31Å; L328-V338 HydrophobicContact CD2-CG1 4.36Å; L328-V338 HydrophobicContact CD2-CG2 4.04Å; F334-V338 HydrophobicContact CD1-CG2 4.2Å; F334-V338 HydrophobicContact CE1-CG2 3.88Å; F334-V338 HydrophobicContact CE2-CG2 4.32Å; F334-V338 HydrophobicContact CZ-CG2 3.95Å; F334-V338 WeakPolarHBondContact O-CG2 3.25Å; F334-V338 PolarHBondContact O-N 2.94Å; R335-V338 PolarHBondContact O-N 3.5Å; L336-V338 PolarHBondContact O-N 3.5Å; V338-T342 VanDerWaalsContact O-CB 3.32Å; V338-T342 WeakPolarHBondContact O-CB 3.07Å; V338-T342 PolarHBondContact O-N 3.42Å; V338-T342 PolarHBondContact O-OG1 3.47Å
339L98.3Very high97.2Very high107 Ų10771.1 Ų71.156%0.5636%0.363SS*.Hα-helixtrans-62.3-51175.8179.165000111.4R335 L336 Y337 M341 T342 V343R335-L339 WeakPolarHBondContact O-CB 3.23Å; R335-L339 PolarHBondContact O-N 3.12Å; L336-L339 WeakPolarHBondContact O-CB 3.32Å; L336-L339 PolarHBondContact O-N 2.89Å; Y337-L339 VanDerWaalsContact C-N 3.29Å; Y337-L339 PolarHBondContact O-N 3.4Å; L339-M341 PolarHBondContact O-N 3.08Å; L339-T342 WeakPolarHBondContact O-CB 3.29Å; L339-T342 PolarHBondContact O-N 3.13Å; L339-V343 WeakPolarHBondContact O-CG2 3.21Å; L339-V343 PolarHBondContact O-N 2.81Å
340V98.3Very high96.8Very high73 Ų7369.9 Ų69.944%0.44236%0.363SS..Hα-helixtrans-58.6-48.6179.3169.30000110.7L336 Y337 T342 V343 V344L336-V340 HydrophobicContact CD1-CG2 4.23Å; L336-V340 HydrophobicContact CG-CG2 4.43Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 2.93Å; Y337-V340 PolarHBondContact O-N 2.93Å; V340-T342 VanDerWaalsContact C-N 3.33Å; V340-T342 PolarHBondContact O-N 3.22Å; V340-V343 WeakPolarHBondContact O-CB 3.41Å; V340-V343 PolarHBondContact O-N 3.31Å; V340-V343 VanDerWaalsContact O-N 3.15Å; V340-V344 HydrophobicContact CG1-CG2 4.41Å; V340-V344 WeakPolarHBondContact O-CG2 3.15Å; V340-V344 PolarHBondContact O-N 3.29Å
341M97.9Very high96.5Very high17 Ų1771.7 Ų71.78%0.08437%0.373CS..Hα-helixtrans-64.8-36.9179.5-72.4-51.7-49.500112.5I23 G27 L30 Y337 L339 V343 V344 F345I23-M341 HydrophobicContact CB-CB 4.4Å; I23-M341 HydrophobicContact CG1-CB 4.18Å; I23-M341 HydrophobicContact CG2-CB 3.83Å; I23-M341 HydrophobicContact CG2-CG 4.27Å; G27-M341 VanDerWaalsContact CA-CE 3.4Å; L30-M341 HydrophobicContact CD1-CE 4.01Å; Y337-M341 HydrophobicContact CD1-CG 4.41Å; Y337-M341 HydrophobicContact CD2-CG 4.11Å; Y337-M341 HydrophobicContact CE1-CG 3.91Å; Y337-M341 HydrophobicContact CE2-CG 3.57Å; Y337-M341 HydrophobicContact CE2-SD 4.09Å; Y337-M341 VanDerWaalsContact CZ-CG 3.45Å; Y337-M341 WeakPolarHBondContact O-CB 3.24Å; Y337-M341 WeakPolarHBondContact O-CG 3.28Å; Y337-M341 PolarHBondContact O-N 3.29Å; L339-M341 PolarHBondContact O-N 3.08Å; M341-V343 VanDerWaalsContact C-N 3.3Å; M341-V343 PolarHBondContact O-N 2.68Å; M341-V344 HydrophobicContact CE-CB 4.37Å; M341-V344 HydrophobicContact CE-CG1 4.29Å; M341-V344 PolarHBondContact O-N 3.16Å; M341-F345 HydrophobicContact CE-CD2 4.06Å; M341-F345 HydrophobicContact CE-CE2 3.64Å; M341-F345 HydrophobicContact CE-CZ 4.4Å; M341-F345 VanDerWaalsContact O-CD2 3.25Å; M341-F345 WeakPolarHBondContact O-CD2 3.26Å; M341-F345 PolarHBondContact O-N 2.92Å
342T97.6Very high96.2Very high37 Ų3768.7 Ų68.723%0.22737%0.371CS..Hα-helixtrans-60.7-42.2173.7-62.10000111.2I23 W124 V338 L339 V340 T346I23-T342 WeakPolarHBondContact CD1-OG1 2.95Å; W124-T342 HydrophobicContact CH2-CG2 3.9Å; W124-T342 HydrophobicContact CZ2-CG2 4.46Å; V338-T342 VanDerWaalsContact O-CB 3.32Å; V338-T342 WeakPolarHBondContact O-CB 3.07Å; V338-T342 PolarHBondContact O-N 3.42Å; V338-T342 PolarHBondContact O-OG1 3.47Å; L339-T342 WeakPolarHBondContact O-CB 3.29Å; L339-T342 PolarHBondContact O-N 3.13Å; V340-T342 VanDerWaalsContact C-N 3.33Å; V340-T342 PolarHBondContact O-N 3.22Å; T342-T346 VanDerWaalsContact O-CB 3.31Å; T342-T346 WeakPolarHBondContact O-CB 3.43Å; T342-T346 PolarHBondContact O-N 2.82Å; T342-T346 VanDerWaalsContact O-N 3.07Å; T342-T346 PolarHBondContact O-OG1 3.48Å
343V97.4Very high95.8Very high77 Ų7766.1 Ų66.147%0.46736%0.36SS..Hα-helixtrans-63.1-48.3174173.60000110.4L339 V340 M341 F345 T346 V347L339-V343 WeakPolarHBondContact O-CG2 3.21Å; L339-V343 PolarHBondContact O-N 2.81Å; V340-V343 WeakPolarHBondContact O-CB 3.41Å; V340-V343 PolarHBondContact O-N 3.31Å; V340-V343 VanDerWaalsContact O-N 3.15Å; M341-V343 VanDerWaalsContact C-N 3.3Å; M341-V343 PolarHBondContact O-N 2.68Å; V343-F345 PolarHBondContact O-N 3.02Å; V343-T346 PolarHBondContact O-N 3.05Å; V343-V347 HydrophobicContact CG1-CG2 3.82Å; V343-V347 VanDerWaalsContact O-CB 3.27Å; V343-V347 WeakPolarHBondContact O-CB 3.07Å; V343-V347 VanDerWaalsContact O-CG2 3.28Å; V343-V347 WeakPolarHBondContact O-CG2 3.48Å; V343-V347 PolarHBondContact O-N 2.91Å
344V96.6Very high95.6Very high60 Ų6061.8 Ų61.836%0.36433%0.33SS..Hα-helixtrans-53.8-54.5177.91690000110.9L30 V340 M341 T346 V347 Q348L30-V344 HydrophobicContact CD1-CG1 4.27Å; V340-V344 HydrophobicContact CG1-CG2 4.41Å; V340-V344 WeakPolarHBondContact O-CG2 3.15Å; V340-V344 PolarHBondContact O-N 3.29Å; M341-V344 HydrophobicContact CE-CB 4.37Å; M341-V344 HydrophobicContact CE-CG1 4.29Å; M341-V344 PolarHBondContact O-N 3.16Å; V344-T346 VanDerWaalsContact C-N 3.3Å; V344-T346 PolarHBondContact O-N 3.38Å; V344-V347 PolarHBondContact O-N 3.23Å; V344-Q348 VanDerWaalsContact O-CB 3.29Å; V344-Q348 WeakPolarHBondContact O-CB 3.49Å; V344-Q348 WeakPolarHBondContact O-CG 3.42Å; V344-Q348 PolarHBondContact O-N 2.86Å
345F96.4Very high95.5Very high0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-63.5-33.2-178.4-83.3-69.1000113.6S22 L30 W124 V128 M341 V343 Q348 L355S22-F345 VanDerWaalsContact O-CE2 3.24Å; S22-F345 WeakPolarHBondContact O-CE2 3.46Å; S22-F345 VanDerWaalsContact O-CZ 3.29Å; S22-F345 WeakPolarHBondContact O-CZ 3.43Å; L30-F345 HydrophobicContact CD1-CE1 4.23Å; L30-F345 HydrophobicContact CD1-CZ 4.05Å; W124-F345 HydrophobicContact CB-CB 4.46Å; W124-F345 HydrophobicContact CB-CD1 3.63Å; W124-F345 HydrophobicContact CB-CE1 4.01Å; W124-F345 HydrophobicContact CB-CG 4.11Å; W124-F345 HydrophobicContact CD2-CB 3.52Å; W124-F345 HydrophobicContact CD2-CD1 4.3Å; W124-F345 HydrophobicContact CD2-CD2 4.43Å; W124-F345 AromaticContact CD2-CG 3.87Å; W124-F345 HydrophobicContact CD2-CG 3.87Å; W124-F345 HydrophobicContact CE3-CB 4Å; W124-F345 HydrophobicContact CE3-CD2 4.16Å; W124-F345 HydrophobicContact CE3-CG 4.07Å; W124-F345 HydrophobicContact CG-CB 3.73Å; W124-F345 AromaticContact CG-CD1 3.83Å; W124-F345 HydrophobicContact CG-CD1 3.83Å; W124-F345 AromaticContact CG-CG 3.9Å; W124-F345 HydrophobicContact CG-CG 3.9Å; W124-F345 HydrophobicContact CZ2-CB 4.13Å; W124-F345 HydrophobicContact CZ3-CB 4.49Å; V128-F345 HydrophobicContact CG2-CE1 3.96Å; M341-F345 HydrophobicContact CE-CD2 4.06Å; M341-F345 HydrophobicContact CE-CE2 3.64Å; M341-F345 HydrophobicContact CE-CZ 4.4Å; M341-F345 VanDerWaalsContact O-CD2 3.25Å; M341-F345 WeakPolarHBondContact O-CD2 3.26Å; M341-F345 PolarHBondContact O-N 2.92Å; V343-F345 PolarHBondContact O-N 3.02Å; F345-Q348 WeakPolarHBondContact O-CG 3.22Å; F345-Q348 PolarHBondContact O-NE2 3.12Å; F345-L355 HydrophobicContact CD1-CD1 3.62Å; F345-L355 HydrophobicContact CE1-CD1 3.37Å
346T94.6Very high95.4Very high62 Ų6255 Ų5538%0.3830%0.304SS..Hα-helixtrans-77.9-42.7179.7-56.80000112.1T342 V343 V344T342-T346 VanDerWaalsContact O-CB 3.31Å; T342-T346 WeakPolarHBondContact O-CB 3.43Å; T342-T346 PolarHBondContact O-N 2.82Å; T342-T346 VanDerWaalsContact O-N 3.07Å; T342-T346 PolarHBondContact O-OG1 3.48Å; V343-T346 PolarHBondContact O-N 3.05Å; V344-T346 VanDerWaalsContact C-N 3.3Å; V344-T346 PolarHBondContact O-N 3.38Å
347V95.3Very high95.2Very high62 Ų6252.6 Ų52.638%0.37629%0.291SS..Hα-helixtrans-76.9-41-174.2171.70000111.2V343 V344 Q349 K350 L351V343-V347 HydrophobicContact CG1-CG2 3.82Å; V343-V347 VanDerWaalsContact O-CB 3.27Å; V343-V347 WeakPolarHBondContact O-CB 3.07Å; V343-V347 VanDerWaalsContact O-CG2 3.28Å; V343-V347 WeakPolarHBondContact O-CG2 3.48Å; V343-V347 PolarHBondContact O-N 2.91Å; V344-V347 PolarHBondContact O-N 3.23Å; V347-Q349 PolarHBondContact O-N 3.29Å; V347-Q349 VanDerWaalsContact O-N 3.14Å; V347-K350 PolarHBondContact O-N 3.46Å; V347-L351 HydrophobicContact CG1-CD1 3.46Å; V347-L351 VanDerWaalsContact CG1-CD1 3.46Å; V347-L351 HydrophobicContact CG1-CG 3.83Å; V347-L351 PolarHBondContact O-N 2.92Å
348Q94.2Very high95.2Very high17 Ų1751.5 Ų51.58%0.07929%0.289CS..Hα-helixtrans-55.4-35.7-179.666.276.625.100112.3V344 F345 K350 L351 A352 L355 I358V344-Q348 VanDerWaalsContact O-CB 3.29Å; V344-Q348 WeakPolarHBondContact O-CB 3.49Å; V344-Q348 WeakPolarHBondContact O-CG 3.42Å; V344-Q348 PolarHBondContact O-N 2.86Å; F345-Q348 WeakPolarHBondContact O-CG 3.22Å; F345-Q348 PolarHBondContact O-NE2 3.12Å; Q348-K350 PolarHBondContact O-N 3.41Å; Q348-L351 PolarHBondContact O-N 3.32Å; Q348-A352 WeakPolarHBondContact O-CB 3.33Å; Q348-A352 PolarHBondContact O-N 3.3Å; Q348-L355 HydrophobicContact CB-CD2 4.37Å; Q348-L355 VanDerWaalsContact CD-CG 3.47Å; Q348-L355 HydrophobicContact CG-CD2 3.85Å; Q348-L355 HydrophobicContact CG-CG 4.04Å; Q348-I358 HydrophobicContact CB-CD1 4.4Å
349Q90.3Very high95Very high43 Ų4350.8 Ų50.820%0.20129%0.285CS..Hα-helixtrans-67.8-38.4179.6-176.3-179.6-25.700111.5K117 V347 G353K117-Q349 HydrophobicContact CD-CG 4.29Å; K117-Q349 HydrophobicContact CG-CG 4.31Å; K117-Q349 PolarHBondContact O-OE1 3.3Å; K117-Q349 VanDerWaalsContact O-OE1 3.05Å; V347-Q349 PolarHBondContact O-N 3.29Å; V347-Q349 VanDerWaalsContact O-N 3.14Å; Q349-G353 CarbonylContact O-C 3.32Å; Q349-G353 VanDerWaalsContact O-C 3.32Å; Q349-G353 WeakPolarHBondContact O-CA 3.47Å; Q349-G353 PolarHBondContact O-N 2.88Å; Q349-G353 VanDerWaalsContact O-N 3.12Å
350K90Very high94.9Very high181 Ų18145.9 Ų45.979%0.78726%0.26SS*.Hα-helixtrans-72.3-35.2177.9-67.6-174.4177.5-177.80112.1V347 Q348V347-K350 PolarHBondContact O-N 3.46Å; Q348-K350 PolarHBondContact O-N 3.41Å
351L92.6Very high94.8Very high142 Ų14244.5 Ų44.574%0.74326%0.256SS*.Hα-helixtrans-84.9-45-175.9-64.5-176.6000113.3V347 Q348V347-L351 HydrophobicContact CG1-CD1 3.46Å; V347-L351 VanDerWaalsContact CG1-CD1 3.46Å; V347-L351 HydrophobicContact CG1-CG 3.83Å; V347-L351 PolarHBondContact O-N 2.92Å; Q348-L351 PolarHBondContact O-N 3.32Å
352A91.1Very high94.7Very high45 Ų4544.5 Ų44.537%0.37226%0.257SS..Hα-helixtrans-114.47.4-171.400000113.1Q348 G354 I358Q348-A352 WeakPolarHBondContact O-CB 3.33Å; Q348-A352 PolarHBondContact O-N 3.3Å; A352-G354 PolarHBondContact O-N 3.38Å; A352-I358 HydrophobicContact CB-CD1 3.62Å; A352-I358 HydrophobicContact CB-CG1 3.57Å
353G90.8Very high94.7Very high32 Ų3244.1 Ų44.133%0.3325%0.253SS..SBendtrans80.1-35.7-176.800000113.1K117 Q349K117-G353 WeakPolarHBondContact CE-O 3.47Å; K117-G353 PolarHBondContact NZ-O 3.29Å; Q349-G353 CarbonylContact O-C 3.32Å; Q349-G353 VanDerWaalsContact O-C 3.32Å; Q349-G353 WeakPolarHBondContact O-CA 3.47Å; Q349-G353 PolarHBondContact O-N 2.88Å; Q349-G353 VanDerWaalsContact O-N 3.12Å
354G94.3Very high94.6Very high0 Ų045.9 Ų45.90%025%0.251CS..  trans160.2168172.200000114.8K117 A352 E356 L357 I358K117-G354 VanDerWaalsContact CE-CA 3.44Å; A352-G354 PolarHBondContact O-N 3.38Å; G354-E356 VanDerWaalsContact C-N 3.3Å; G354-E356 VanDerWaalsContact C-OE2 3.3Å; G354-E356 WeakPolarHBondContact CA-OE2 3.39Å; G354-E356 PolarHBondContact O-N 3.46Å; G354-L357 PolarHBondContact O-N 3.38Å; G354-L357 VanDerWaalsContact O-N 3.12Å; G354-I358 PolarHBondContact O-N 2.74Å
355L96.4Very high94.5Very high6 Ų648.6 Ų48.63%0.03126%0.256CS..Hα-helixtrans-65.8-30.8-173.6-68.4172.7000113.3L30 M33 Q127 V128 F345 Q348 L357 I358 E359L30-L355 HydrophobicContact CD1-CD1 4.34Å; L30-L355 HydrophobicContact CD2-CD1 3.87Å; L30-L355 HydrophobicContact CD2-CD2 4.47Å; M33-L355 HydrophobicContact CE-CD2 4.34Å; Q127-L355 HydrophobicContact CB-CB 4.07Å; V128-L355 HydrophobicContact CG2-CD1 3.44Å; V128-L355 VanDerWaalsContact CG2-CD1 3.44Å; F345-L355 HydrophobicContact CD1-CD1 3.62Å; F345-L355 HydrophobicContact CE1-CD1 3.37Å; Q348-L355 HydrophobicContact CB-CD2 4.37Å; Q348-L355 VanDerWaalsContact CD-CG 3.47Å; Q348-L355 HydrophobicContact CG-CD2 3.85Å; Q348-L355 HydrophobicContact CG-CG 4.04Å; L355-L357 VanDerWaalsContact C-N 3.26Å; L355-L357 PolarHBondContact O-N 3.07Å; L355-I358 HydrophobicContact CD2-CD1 4.12Å; L355-I358 PolarHBondContact O-N 2.95Å; L355-E359 WeakPolarHBondContact O-CB 3.27Å; L355-E359 PolarHBondContact O-N 2.88Å
356E95.5Very high94.4Very high1 Ų152.4 Ų52.41%0.00527%0.27CS..Hα-helixtrans-65.2-33.8177.279.9-74.7-167.700111.4K117 Q127 F133 M148 G354 M360K117-E356 VanDerWaalsContact CE-OE1 3.25Å; K117-E356 WeakPolarHBondContact CE-OE1 3.46Å; K117-E356 WeakPolarHBondContact CE-OE2 3.47Å; K117-E356 IonicContact NZ-OE1 2.51Å; K117-E356 PolarHBondContact NZ-OE1 3.49Å; K117-E356 IonicContact NZ-OE2 3.05Å; K117-E356 PolarHBondContact NZ-OE2 3.26Å; Q127-E356 WeakPolarHBondContact O-CB 3.49Å; F133-E356 WeakPolarHBondContact CD2-OE1 3.32Å; M148-E356 HydrophobicContact CE-CG 4.49Å; M148-E356 HydrophobicContact SD-CG 4.37Å; G354-E356 VanDerWaalsContact C-N 3.3Å; G354-E356 VanDerWaalsContact C-OE2 3.3Å; G354-E356 WeakPolarHBondContact CA-OE2 3.39Å; G354-E356 PolarHBondContact O-N 3.46Å; E356-M360 WeakPolarHBondContact O-CG 3.31Å; E356-M360 PolarHBondContact O-N 2.95Å; E356-M360 VanDerWaalsContact O-N 3.08Å
357L95.6Very high94.3Very high58 Ų5854.2 Ų54.230%0.30427%0.272SS..Hα-helixtrans-74.7-37.3177.3-59.5-179.5000111.6G354 L355 M360 A361G354-L357 PolarHBondContact O-N 3.38Å; G354-L357 VanDerWaalsContact O-N 3.12Å; L355-L357 VanDerWaalsContact C-N 3.26Å; L355-L357 PolarHBondContact O-N 3.07Å; L357-M360 HydrophobicContact CD2-SD 4.26Å; L357-M360 PolarHBondContact O-N 3.24Å; L357-A361 WeakPolarHBondContact O-CB 3.4Å; L357-A361 PolarHBondContact O-N 3.43Å
358I96.6Very high94.2Very high46 Ų4656.9 Ų56.924%0.23628%0.281CS..Hα-helixtrans-63-45.9174-58.6178.2000109.9M33 Q348 A352 G354 L355 M360 A361 C362M33-I358 HydrophobicContact SD-CB 4.26Å; M33-I358 HydrophobicContact SD-CG2 3.66Å; Q348-I358 HydrophobicContact CB-CD1 4.4Å; A352-I358 HydrophobicContact CB-CD1 3.62Å; A352-I358 HydrophobicContact CB-CG1 3.57Å; G354-I358 PolarHBondContact O-N 2.74Å; L355-I358 HydrophobicContact CD2-CD1 4.12Å; L355-I358 PolarHBondContact O-N 2.95Å; I358-M360 PolarHBondContact O-N 3.41Å; I358-A361 WeakPolarHBondContact O-CB 3.28Å; I358-A361 PolarHBondContact O-N 2.91Å; I358-C362 PolarHBondContact O-N 2.87Å; I358-C362 PolarHBondContact O-SG 3.15Å
359E96.1Very high94Very high0 Ų059.4 Ų59.40%029%0.292CS..Hα-helixtrans-57.3-48.5176.1169177.3-154.600111.9Y40 R41 Y151 L355 A361 C362 H363Y40-E359 HydrophobicContact CD1-CG 4.15Å; Y40-E359 WeakPolarHBondContact CD1-OE1 3.43Å; Y40-E359 HydrophobicContact CE1-CB 4.17Å; Y40-E359 VanDerWaalsContact CE1-CD 3.5Å; Y40-E359 HydrophobicContact CE1-CG 4.02Å; R41-E359 IonicContact CZ-OE1 3.49Å; R41-E359 IonicContact CZ-OE2 3.45Å; R41-E359 IonicContact NE-OE1 2.78Å; R41-E359 PolarHBondContact NE-OE1 3.2Å; R41-E359 IonicContact NE-OE2 3.08Å; R41-E359 IonicContact NH2-OE1 2.82Å; R41-E359 PolarHBondContact NH2-OE1 2.91Å; R41-E359 IonicContact NH2-OE2 2.72Å; R41-E359 PolarHBondContact NH2-OE2 2.85Å; Y151-E359 PolarHBondContact OH-OE1 2.76Å; L355-E359 WeakPolarHBondContact O-CB 3.27Å; L355-E359 PolarHBondContact O-N 2.88Å; E359-A361 VanDerWaalsContact C-N 3.27Å; E359-A361 PolarHBondContact O-N 3.25Å; E359-C362 WeakPolarHBondContact O-CB 3.34Å; E359-C362 PolarHBondContact O-N 2.82Å; E359-C362 VanDerWaalsContact O-N 3.14Å; E359-H363 PolarHBondContact O-N 2.75Å
360M95.7Very high94Very high5 Ų560.8 Ų60.83%0.02530%0.303CS..Hα-helixtrans-62.1-37.2178.6-69.1168.476.300112N147 M148 Y151 E356 L357 I358 H363 R364N147-M360 HydrophobicContact CB-CE 3.68Å; N147-M360 WeakPolarHBondContact O-CE 3.45Å; M148-M360 HydrophobicContact CG-CE 4.41Å; M148-M360 HydrophobicContact CG-SD 4.32Å; M148-M360 HydrophobicContact SD-CE 4.04Å; M148-M360 HydrophobicContact SD-SD 3.27Å; Y151-M360 HydrophobicContact CD1-CG 4.3Å; Y151-M360 HydrophobicContact CD2-CG 4.23Å; Y151-M360 HydrophobicContact CG-CG 4.01Å; E356-M360 WeakPolarHBondContact O-CG 3.31Å; E356-M360 PolarHBondContact O-N 2.95Å; E356-M360 VanDerWaalsContact O-N 3.08Å; L357-M360 HydrophobicContact CD2-SD 4.26Å; L357-M360 PolarHBondContact O-N 3.24Å; I358-M360 PolarHBondContact O-N 3.41Å; M360-H363 PolarHBondContact O-N 3.07Å; M360-R364 WeakPolarHBondContact O-CG 3.34Å; M360-R364 PolarHBondContact O-N 3Å
361A96.3Very high93.8Very high44 Ų4457.2 Ų57.236%0.36429%0.289SS..Hα-helixtrans-63.9-42.9174.300000111.5L357 I358 E359 H363 R364 Y365L357-A361 WeakPolarHBondContact O-CB 3.4Å; L357-A361 PolarHBondContact O-N 3.43Å; I358-A361 WeakPolarHBondContact O-CB 3.28Å; I358-A361 PolarHBondContact O-N 2.91Å; E359-A361 VanDerWaalsContact C-N 3.27Å; E359-A361 PolarHBondContact O-N 3.25Å; A361-H363 VanDerWaalsContact C-N 3.34Å; A361-H363 PolarHBondContact O-N 3.33Å; A361-R364 PolarHBondContact O-N 3.43Å; A361-Y365 PolarHBondContact O-N 3.14Å; A361-Y365 VanDerWaalsContact O-N 3.07Å
362C96.5Very high93.7Very high16 Ų1656.1 Ų56.111%0.10828%0.28CS..Hα-helixtrans-62.5-41.6174.6-61.90000111.5M33 P37 I358 E359 Y365 W366M33-C362 WeakPolarHBondContact O-CB 3.34Å; P37-C362 HydrophobicContact CG-CB 4.23Å; I358-C362 PolarHBondContact O-N 2.87Å; I358-C362 PolarHBondContact O-SG 3.15Å; E359-C362 WeakPolarHBondContact O-CB 3.34Å; E359-C362 PolarHBondContact O-N 2.82Å; E359-C362 VanDerWaalsContact O-N 3.14Å; C362-Y365 PolarHBondContact O-N 3.22Å; C362-W366 VanDerWaalsContact O-CD1 3.23Å; C362-W366 PolarHBondContact O-N 3.45Å; C362-W366 VanDerWaalsContact O-N 3.09Å
363H95.9Very high93.4Very high30 Ų3062.1 Ų62.114%0.13929%0.293CS..Hα-helixtrans-59.8-48.8176177.579.8000112.1P37 Y151 D154 E359 M360 A361 Y365 W366 K367P37-H363 HydrophobicContact CB-CB 4.22Å; Y151-H363 HydrophobicContact CD2-CB 4.05Å; Y151-H363 AromaticContact CD2-CD2 3.7Å; Y151-H363 AromaticContact CD2-CG 3.76Å; Y151-H363 HydrophobicContact CE2-CB 3.73Å; Y151-H363 AromaticContact CE2-CG 3.6Å; Y151-H363 AromaticContact CE2-ND1 3.96Å; D154-H363 IonicContact OD2-NE2 2.65Å; E359-H363 PolarHBondContact O-N 2.75Å; M360-H363 PolarHBondContact O-N 3.07Å; A361-H363 VanDerWaalsContact C-N 3.34Å; A361-H363 PolarHBondContact O-N 3.33Å; H363-Y365 VanDerWaalsContact C-N 3.35Å; H363-Y365 PolarHBondContact O-N 3.04Å; H363-W366 PolarHBondContact O-N 3Å; H363-K367 WeakPolarHBondContact O-CB 3.29Å; H363-K367 PolarHBondContact O-N 3Å
364R95.6Very high93Very high113 Ų11367.9 Ų67.943%0.42631%0.309SS..Hα-helixtrans-58.2-46.7177.6-74.1-170.2-63.8-88.2-0.5111.9M360 A361 W366 K367 E368M360-R364 WeakPolarHBondContact O-CG 3.34Å; M360-R364 PolarHBondContact O-N 3Å; A361-R364 PolarHBondContact O-N 3.43Å; R364-W366 PolarHBondContact O-N 2.89Å; R364-K367 PolarHBondContact O-N 3.21Å; R364-E368 WeakPolarHBondContact O-CG 3.27Å; R364-E368 PolarHBondContact O-N 3.29Å
365Y95.6Very high92.2Very high118 Ų11874.2 Ų74.246%0.46334%0.342SS..Hα-helixtrans-55.7-47.1177.1174-97.9000112.8A361 C362 H363 K369A361-Y365 PolarHBondContact O-N 3.14Å; A361-Y365 VanDerWaalsContact O-N 3.07Å; C362-Y365 PolarHBondContact O-N 3.22Å; H363-Y365 VanDerWaalsContact C-N 3.35Å; H363-Y365 PolarHBondContact O-N 3.04Å; Y365-K369 HydrophobicContact CE1-CD 3.84Å; Y365-K369 PolarHBondContact O-N 3.02Å; Y365-K369 VanDerWaalsContact O-N 3.14Å; Y365-K369 WeakPolarHBondContact OH-CE 3.48Å; Y365-K369 PolarHBondContact OH-NZ 3.47Å
366W93.9Very high90.6Very high80 Ų8084.2 Ų84.230%0.30339%0.388SS..Hα-helixtrans-70-36179.2-80.7107.6000112.7L34 L35 P37 C362 H363 R364 K369 V370L34-W366 PolarHBondContact O-NE1 3.42Å; L35-W366 WeakPolarHBondContact O-CZ2 3.29Å; P37-W366 VanDerWaalsContact CD-CD1 3.46Å; P37-W366 HydrophobicContact CG-CB 4.43Å; P37-W366 HydrophobicContact CG-CG 4.23Å; C362-W366 VanDerWaalsContact O-CD1 3.23Å; C362-W366 PolarHBondContact O-N 3.45Å; C362-W366 VanDerWaalsContact O-N 3.09Å; H363-W366 PolarHBondContact O-N 3Å; R364-W366 PolarHBondContact O-N 2.89Å; W366-K369 PolarHBondContact O-N 3.25Å; W366-V370 WeakPolarHBondContact O-CG2 3.48Å; W366-V370 PolarHBondContact O-N 2.9Å
367K92.1Very high90.3Very high99 Ų9988.4 Ų88.443%0.4341%0.407SS..Hα-helixtrans-61.9-46.5175.6-178.1175.1170.41790111.3D154 H363 R364 V370 Q371D154-K367 IonicContact OD1-NZ 3.71Å; D154-K367 PolarHBondContact OD1-NZ 3.19Å; D154-K367 IonicContact OD2-NZ 3.12Å; D154-K367 PolarHBondContact OD2-NZ 3.1Å; H363-K367 WeakPolarHBondContact O-CB 3.29Å; H363-K367 PolarHBondContact O-N 3Å; R364-K367 PolarHBondContact O-N 3.21Å; K367-V370 PolarHBondContact O-N 3.34Å; K367-Q371 PolarHBondContact O-N 2.96Å; K367-Q371 VanDerWaalsContact O-N 3.08Å
368E93Very high90.1Very high118 Ų11889.9 Ų89.955%0.55141%0.413SS*.Hα-helixtrans-59.6-48.7176.2-73.2167.7-171.200111.3R364 V370 Q371 E372R364-E368 WeakPolarHBondContact O-CG 3.27Å; R364-E368 PolarHBondContact O-N 3.29Å; E368-V370 VanDerWaalsContact C-N 3.32Å; E368-V370 PolarHBondContact O-N 3.06Å; E368-Q371 WeakPolarHBondContact O-CB 3.47Å; E368-Q371 PolarHBondContact O-N 3.49Å; E368-E372 WeakPolarHBondContact O-CG 3.33Å; E368-E372 PolarHBondContact O-N 3.4Å
369K91.1Very high89.7Confident71 Ų7192.4 Ų92.431%0.30942%0.422SS..Hα-helixtrans-58.9-38.5176.6-88.8-166.5162.6-178.30114.3Y365 W366 Q371 R373Y365-K369 HydrophobicContact CE1-CD 3.84Å; Y365-K369 PolarHBondContact O-N 3.02Å; Y365-K369 VanDerWaalsContact O-N 3.14Å; Y365-K369 WeakPolarHBondContact OH-CE 3.48Å; Y365-K369 PolarHBondContact OH-NZ 3.47Å; W366-K369 PolarHBondContact O-N 3.25Å; K369-Q371 VanDerWaalsContact C-N 3.31Å; K369-R373 WeakPolarHBondContact O-CG 3.47Å; K369-R373 PolarHBondContact O-N 3.21Å
370V88.8Confident89.3Confident72 Ų7297.8 Ų97.844%0.43645%0.447SS..Hα-helixtrans-68-36.7176.7169.40000110.5W366 K367 E368 K374W366-V370 WeakPolarHBondContact O-CG2 3.48Å; W366-V370 PolarHBondContact O-N 2.9Å; K367-V370 PolarHBondContact O-N 3.34Å; E368-V370 VanDerWaalsContact C-N 3.32Å; E368-V370 PolarHBondContact O-N 3.06Å; V370-K374 WeakPolarHBondContact O-CG 3.42Å; V370-K374 PolarHBondContact O-N 3.28Å
371Q86.6Confident88.9Confident106 Ų106103.6 Ų103.650%0.49547%0.474SS..Hα-helixtrans-69-42.7177.9-169.264.412.100112K367 E368 K369 R373 K374 I375K367-Q371 PolarHBondContact O-N 2.96Å; K367-Q371 VanDerWaalsContact O-N 3.08Å; E368-Q371 WeakPolarHBondContact O-CB 3.47Å; E368-Q371 PolarHBondContact O-N 3.49Å; K369-Q371 VanDerWaalsContact C-N 3.31Å; Q371-R373 VanDerWaalsContact C-N 3.3Å; Q371-R373 PolarHBondContact O-N 3.29Å; Q371-K374 PolarHBondContact O-N 2.91Å; Q371-K374 VanDerWaalsContact O-N 3.11Å; Q371-I375 HydrophobicContact CG-CD1 4.24Å; Q371-I375 WeakPolarHBondContact O-CG1 3.48Å; Q371-I375 PolarHBondContact O-N 3.26Å
372E89.5Confident88.4Confident118 Ų118107.6 Ų107.655%0.55148%0.481SS*.Hα-helixtrans-57.4-42.9174.8-71.4173.2171.800111.9E368 K374 I375 Q376E368-E372 WeakPolarHBondContact O-CG 3.33Å; E368-E372 PolarHBondContact O-N 3.4Å; E372-K374 PolarHBondContact O-N 2.88Å; E372-I375 PolarHBondContact O-N 2.99Å; E372-Q376 PolarHBondContact O-N 3Å
373R85.6Confident87.9Confident171 Ų171114.1 Ų114.165%0.64551%0.508SS*.Hα-helixtrans-67.7-17.8177.6-73.4177.2-178.9-169.3-0.7114.9K369 Q371K369-R373 WeakPolarHBondContact O-CG 3.47Å; K369-R373 PolarHBondContact O-N 3.21Å; Q371-R373 VanDerWaalsContact C-N 3.3Å; Q371-R373 PolarHBondContact O-N 3.29Å
374K81.3Confident87.2Confident154 Ų154120.6 Ų120.667%0.6754%0.536SS*.Hα-helixtrans-88.1-18176.3-74.3178.7179.2-178.10112.7V370 Q371 E372V370-K374 WeakPolarHBondContact O-CG 3.42Å; V370-K374 PolarHBondContact O-N 3.28Å; Q371-K374 PolarHBondContact O-N 2.91Å; Q371-K374 VanDerWaalsContact O-N 3.11Å; E372-K374 PolarHBondContact O-N 2.88Å
375I78.5Confident86.5Confident133 Ų133121.3 Ų121.368%0.68255%0.545SS*.Hα-helixtrans-92.6-25.4-178.1-63.8167000110.8Q371 E372Q371-I375 HydrophobicContact CG-CD1 4.24Å; Q371-I375 WeakPolarHBondContact O-CG1 3.48Å; Q371-I375 PolarHBondContact O-N 3.26Å; E372-I375 PolarHBondContact O-N 2.99Å
376Q62.5Low85.7Confident215 Ų215121.5 Ų121.5100%1.00555%0.553SS**  trans-81.40165.7-65.8178.7-5.800110.4E372E372-Q376 PolarHBondContact O-N 3Å

Retrieved 376 of 376 residues in 463.5 ms (Link to these results)

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