A0A096MII6_POEFO Loading...

Claudin domain containing 1a

AlphaFold DB , UniProt , Accession A0A096MII6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 256 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
1M46.1Very low78.1Confident229 Ų22993 Ų93100%1.12849%0.486SS*.  0110.90-153.8170.7-153.600105.6D3M1-D3 PolarHBondContact O-N 3.36Å; M1-D3 VanDerWaalsContact O-N 3.14Å
2V51.6Low79.6Confident105 Ų10591.8 Ų91.864%0.63648%0.479SS*.  trans-61.4116.6170.5167.10000105.5N4 Y6V2-N4 PolarHBondContact O-N 3.29Å; V2-Y6 HydrophobicContact CG1-CD1 3.76Å
3D64.4Low80.9Confident87 Ų8784.8 Ų84.847%0.46544%0.443SS..  trans-57.7124.9179.8-78.8-42.2000108.4M1 R5 Y6 N246M1-D3 PolarHBondContact O-N 3.36Å; M1-D3 VanDerWaalsContact O-N 3.14Å; D3-R5 PolarHBondContact O-N 3.46Å; D3-Y6 WeakPolarHBondContact O-CB 3.43Å; D3-Y6 PolarHBondContact O-N 2.95Å; D3-N246 PolarHBondContact OD2-ND2 3.37Å
4N78.8Confident81.9Confident131 Ų13183.9 Ų83.970%0.70145%0.446SS*.Hα-helixtrans-48.1-30.5-179.3-167.422.6000112.1V2 Y6 A7 T8V2-N4 PolarHBondContact O-N 3.29Å; N4-Y6 PolarHBondContact O-N 3.16Å; N4-A7 PolarHBondContact O-N 3.21Å; N4-T8 WeakPolarHBondContact O-CB 3.3Å; N4-T8 PolarHBondContact O-N 3.13Å; N4-T8 PolarHBondContact O-OG1 2.96Å
5R82.8Confident83Confident197 Ų19783.5 Ų83.574%0.74345%0.447SS*.Hα-helixtrans-60.2-38.7175.5-58.9-178.2179.7-179.3-0.4113.8D3 A9 W238D3-R5 PolarHBondContact O-N 3.46Å; R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.2Å; R5-W238 HydrophobicContact CB-CH2 4.25Å
6Y82Confident83.9Confident28 Ų2879.8 Ų79.811%0.1143%0.428CS..Hα-helixtrans-67.6-49.9178.2170.7-95.1000111.3V2 D3 N4 T8 A9 L10 L170 A239V2-Y6 HydrophobicContact CG1-CD1 3.76Å; D3-Y6 WeakPolarHBondContact O-CB 3.43Å; D3-Y6 PolarHBondContact O-N 2.95Å; N4-Y6 PolarHBondContact O-N 3.16Å; Y6-T8 VanDerWaalsContact C-N 3.31Å; Y6-T8 PolarHBondContact O-N 3.47Å; Y6-A9 PolarHBondContact O-N 3.38Å; Y6-L10 HydrophobicContact CD1-CD1 4.19Å; Y6-L10 HydrophobicContact CE1-CD1 3.35Å; Y6-L10 HydrophobicContact CE1-CG 3.97Å; Y6-L10 HydrophobicContact CE2-CD1 4.36Å; Y6-L10 HydrophobicContact CE2-CD2 4.42Å; Y6-L10 HydrophobicContact CE2-CG 4.25Å; Y6-L10 VanDerWaalsContact CZ-CD1 3.44Å; Y6-L10 PolarHBondContact O-N 3.06Å; Y6-L10 WeakPolarHBondContact OH-CD1 3.42Å; Y6-L170 HydrophobicContact CE1-CD1 3.71Å; Y6-L170 HydrophobicContact CE1-CD2 4.14Å; Y6-L170 HydrophobicContact CE2-CD1 4.41Å; Y6-L170 WeakPolarHBondContact OH-CD1 3.43Å; Y6-L170 WeakPolarHBondContact OH-CD2 3.46Å; Y6-L170 WeakPolarHBondContact OH-CG 3.32Å; Y6-A239 HydrophobicContact CD2-CB 3.81Å; Y6-A239 HydrophobicContact CE2-CB 3.77Å
7A85.8Confident84.8Confident39 Ų3975.9 Ų75.932%0.32241%0.408SS..Hα-helixtrans-60.1-44.2179.100000110.7N4 A9 L10 V11N4-A7 PolarHBondContact O-N 3.21Å; A7-A9 PolarHBondContact O-N 2.98Å; A7-L10 PolarHBondContact O-N 2.9Å; A7-V11 VanDerWaalsContact O-CG2 3.32Å; A7-V11 WeakPolarHBondContact O-CG2 3.4Å; A7-V11 PolarHBondContact O-N 3.45Å
8T90.6Very high85.5Confident66 Ų6677.8 Ų77.841%0.40542%0.416SS..Hα-helixtrans-60.8-44.3175.4-59.20000112.4N4 Y6 L10 V11 I12N4-T8 WeakPolarHBondContact O-CB 3.3Å; N4-T8 PolarHBondContact O-N 3.13Å; N4-T8 PolarHBondContact O-OG1 2.96Å; Y6-T8 VanDerWaalsContact C-N 3.31Å; Y6-T8 PolarHBondContact O-N 3.47Å; T8-L10 PolarHBondContact O-N 3.14Å; T8-V11 PolarHBondContact O-N 3.3Å; T8-I12 HydrophobicContact CG2-CD1 3.73Å; T8-I12 HydrophobicContact CG2-CG1 4.34Å; T8-I12 VanDerWaalsContact O-CG1 3.28Å; T8-I12 WeakPolarHBondContact O-CG1 2.95Å; T8-I12 PolarHBondContact O-N 2.96Å
9A91.8Very high86.2Confident6 Ų677.6 Ų77.65%0.0542%0.415CS..Hα-helixtrans-63.1-40.5178.900000112.6R5 Y6 A7 A13 L235 W238R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.2Å; Y6-A9 PolarHBondContact O-N 3.38Å; A7-A9 PolarHBondContact O-N 2.98Å; A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.89Å; A9-L235 HydrophobicContact CB-CD2 4.48Å; A9-W238 HydrophobicContact CB-CE3 3.9Å; A9-W238 HydrophobicContact CB-CZ3 3.58Å
10L91.3Very high86.8Confident43 Ų4373.8 Ų73.823%0.22539%0.394CS..Hα-helixtrans-62.1-46.7173.8-73-173.9000111.9Y6 A7 T8 I12 A13 C14 T173 L236Y6-L10 HydrophobicContact CD1-CD1 4.19Å; Y6-L10 HydrophobicContact CE1-CD1 3.35Å; Y6-L10 HydrophobicContact CE1-CG 3.97Å; Y6-L10 HydrophobicContact CE2-CD1 4.36Å; Y6-L10 HydrophobicContact CE2-CD2 4.42Å; Y6-L10 HydrophobicContact CE2-CG 4.25Å; Y6-L10 VanDerWaalsContact CZ-CD1 3.44Å; Y6-L10 PolarHBondContact O-N 3.06Å; Y6-L10 WeakPolarHBondContact OH-CD1 3.42Å; A7-L10 PolarHBondContact O-N 2.9Å; T8-L10 PolarHBondContact O-N 3.14Å; L10-I12 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 3.27Å; L10-C14 PolarHBondContact O-N 2.94Å; L10-C14 PolarHBondContact O-SG 3.32Å; L10-T173 HydrophobicContact CD2-CG2 4.13Å; L10-L236 HydrophobicContact CD2-CD2 3.79Å
11V94Very high87.3Confident92 Ų9271.8 Ų71.856%0.55839%0.385SS*.Hα-helixtrans-61.3-46.9-179.6171.20000110.6A7 T8 A13 C14 V15A7-V11 VanDerWaalsContact O-CG2 3.32Å; A7-V11 WeakPolarHBondContact O-CG2 3.4Å; A7-V11 PolarHBondContact O-N 3.45Å; T8-V11 PolarHBondContact O-N 3.3Å; V11-A13 VanDerWaalsContact C-N 3.34Å; V11-A13 PolarHBondContact O-N 3.4Å; V11-C14 PolarHBondContact O-N 3.43Å; V11-V15 WeakPolarHBondContact O-CG2 3.37Å; V11-V15 PolarHBondContact O-N 2.72Å
12I96.3Very high89.8Confident79 Ų7964.5 Ų64.541%0.40535%0.353SS..Hα-helixtrans-60.7-45.7176.9-64.7168.9000110.1T8 L10 C14 V15 L16 L235T8-I12 HydrophobicContact CG2-CD1 3.73Å; T8-I12 HydrophobicContact CG2-CG1 4.34Å; T8-I12 VanDerWaalsContact O-CG1 3.28Å; T8-I12 WeakPolarHBondContact O-CG1 2.95Å; T8-I12 PolarHBondContact O-N 2.96Å; L10-I12 PolarHBondContact O-N 3.35Å; I12-C14 VanDerWaalsContact C-N 3.32Å; I12-C14 PolarHBondContact O-N 3.29Å; I12-V15 PolarHBondContact O-N 3.48Å; I12-L16 HydrophobicContact CG2-CD1 3.8Å; I12-L16 HydrophobicContact CG2-CG 4.15Å; I12-L16 WeakPolarHBondContact O-CB 3.07Å; I12-L16 VanDerWaalsContact O-CG 3.27Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 2.98Å; I12-L235 HydrophobicContact CB-CD1 4.03Å; I12-L235 HydrophobicContact CG2-CD1 3.51Å
13A96.2Very high92Very high1 Ų163.4 Ų63.41%0.00834%0.338CS..Hα-helixtrans-59.8-41.6178.300000112.5A9 L10 V11 L16 S17 A232 L235 L236A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.89Å; L10-A13 PolarHBondContact O-N 3.27Å; V11-A13 VanDerWaalsContact C-N 3.34Å; V11-A13 PolarHBondContact O-N 3.4Å; A13-L16 PolarHBondContact O-N 3.42Å; A13-S17 VanDerWaalsContact O-CB 3.28Å; A13-S17 WeakPolarHBondContact O-CB 3.32Å; A13-S17 PolarHBondContact O-N 3.43Å; A13-A232 HydrophobicContact CB-CB 4.33Å; A13-A232 WeakPolarHBondContact O-CB 3.35Å; A13-L235 HydrophobicContact CB-CB 4.03Å; A13-L235 HydrophobicContact CB-CD1 4.34Å; A13-L236 HydrophobicContact CB-CD1 4.43Å; A13-L236 HydrophobicContact CB-CD2 4.06Å; A13-L236 HydrophobicContact CB-CG 3.84Å
14C95.3Very high93.6Very high72 Ų7259.3 Ų59.349%0.48632%0.317SS..Hα-helixtrans-63-46.2175.7-710000111.9L10 V11 I12 S17 I18L10-C14 PolarHBondContact O-N 2.94Å; L10-C14 PolarHBondContact O-SG 3.32Å; V11-C14 PolarHBondContact O-N 3.43Å; I12-C14 VanDerWaalsContact C-N 3.32Å; I12-C14 PolarHBondContact O-N 3.29Å; C14-S17 PolarHBondContact O-N 2.84Å; C14-I18 VanDerWaalsContact O-CG1 3.29Å; C14-I18 WeakPolarHBondContact O-CG1 3.37Å; C14-I18 PolarHBondContact O-N 3.48Å
15V97.9Very high94.5Very high77 Ų7755.8 Ų55.847%0.46730%0.302SS..Hα-helixtrans-62-46.5178.3172.80000110.8V11 I12 S17 I18 L19V11-V15 WeakPolarHBondContact O-CG2 3.37Å; V11-V15 PolarHBondContact O-N 2.72Å; I12-V15 PolarHBondContact O-N 3.48Å; V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 PolarHBondContact O-N 3.35Å; V15-I18 PolarHBondContact O-N 3.14Å; V15-L19 HydrophobicContact CG1-CD1 3.98Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 WeakPolarHBondContact O-CG 3.46Å; V15-L19 PolarHBondContact O-N 3.37Å
16L98.1Very high95.2Very high25 Ų2549.2 Ų49.213%0.13128%0.283CS..Hα-helixtrans-60.8-43177-68.4174.7000111.7I12 A13 L19 A20 L228 M231 A232 L235I12-L16 HydrophobicContact CG2-CD1 3.8Å; I12-L16 HydrophobicContact CG2-CG 4.15Å; I12-L16 WeakPolarHBondContact O-CB 3.07Å; I12-L16 VanDerWaalsContact O-CG 3.27Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 2.98Å; A13-L16 PolarHBondContact O-N 3.42Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 3.01Å; L16-L228 HydrophobicContact CD2-CD2 3.7Å; L16-M231 HydrophobicContact CD1-CB 3.95Å; L16-M231 HydrophobicContact CD1-CE 4.4Å; L16-A232 HydrophobicContact CB-CB 4.12Å; L16-L235 HydrophobicContact CD1-CD1 3.9Å
17S97.9Very high96Very high13 Ų1347.9 Ų47.99%0.09128%0.278CS..Hα-helixtrans-63.1-44.4177.9-178.90000112.4A13 C14 V15 A20 T21 H180A13-S17 VanDerWaalsContact O-CB 3.28Å; A13-S17 WeakPolarHBondContact O-CB 3.32Å; A13-S17 PolarHBondContact O-N 3.43Å; C14-S17 PolarHBondContact O-N 2.84Å; V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 PolarHBondContact O-N 3.35Å; S17-A20 PolarHBondContact O-N 3.06Å; S17-T21 WeakPolarHBondContact O-CB 3.34Å; S17-T21 PolarHBondContact O-N 3.03Å; S17-T21 PolarHBondContact O-OG1 3.03Å; S17-H180 VanDerWaalsContact CB-NE2 3.34Å; S17-H180 WeakPolarHBondContact CB-NE2 3.41Å; S17-H180 PolarHBondContact OG-CD2 3.3Å; S17-H180 PolarHBondContact OG-NE2 3.21Å
18I98Very high96.4Very high110 Ų11046.6 Ų46.656%0.56427%0.266SS*.Hα-helixtrans-62.5-48.8177.4-69.1165.8000110.3C14 V15 A20 T21 V22C14-I18 VanDerWaalsContact O-CG1 3.29Å; C14-I18 WeakPolarHBondContact O-CG1 3.37Å; C14-I18 PolarHBondContact O-N 3.48Å; V15-I18 PolarHBondContact O-N 3.14Å; I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.27Å; I18-T21 PolarHBondContact O-N 3.32Å; I18-V22 WeakPolarHBondContact O-CG2 3.47Å; I18-V22 PolarHBondContact O-N 3.43Å
19L98.3Very high96.6Very high75 Ų7545.6 Ų45.639%0.39327%0.269SS..Hα-helixtrans-58.9-46.3178.2-73.2172.5000111.7V15 L16 T21 V22 Y23V15-L19 HydrophobicContact CG1-CD1 3.98Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 WeakPolarHBondContact O-CG 3.46Å; V15-L19 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 3.36Å; L19-T21 VanDerWaalsContact C-N 3.34Å; L19-T21 PolarHBondContact O-N 3.36Å; L19-V22 PolarHBondContact O-N 3.2Å; L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 2.81Å
20A98.2Very high96.8Very high0 Ų046.4 Ų46.40%027%0.273CS..Hα-helixtrans-59.9-44177.400000112L16 S17 I18 V22 Y23 L24 S225 L228 H229L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 3.01Å; S17-A20 PolarHBondContact O-N 3.06Å; I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.27Å; A20-V22 PolarHBondContact O-N 3.42Å; A20-Y23 PolarHBondContact O-N 3.43Å; A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 PolarHBondContact O-N 3.28Å; A20-S225 VanDerWaalsContact O-CB 3.32Å; A20-S225 WeakPolarHBondContact O-CB 3.28Å; A20-L228 HydrophobicContact CB-CB 3.64Å; A20-L228 HydrophobicContact CB-CD1 4.35Å; A20-H229 VanDerWaalsContact CB-CE1 3.41Å; A20-H229 WeakPolarHBondContact CB-CE1 3.4Å; A20-H229 WeakPolarHBondContact CB-NE2 3.41Å
21T98.1Very high96.9Very high33 Ų3346.7 Ų46.720%0.20227%0.273CS..Hα-helixtrans-63.7-42.7178.9-52.90000111.6S17 I18 L19 L24 S25 L151 V154S17-T21 WeakPolarHBondContact O-CB 3.34Å; S17-T21 PolarHBondContact O-N 3.03Å; S17-T21 PolarHBondContact O-OG1 3.03Å; I18-T21 PolarHBondContact O-N 3.32Å; L19-T21 VanDerWaalsContact C-N 3.34Å; L19-T21 PolarHBondContact O-N 3.36Å; T21-L24 PolarHBondContact O-N 3.48Å; T21-S25 VanDerWaalsContact O-CB 3.3Å; T21-S25 WeakPolarHBondContact O-CB 3.46Å; T21-S25 PolarHBondContact O-N 3.44Å; T21-S25 PolarHBondContact O-OG 3.47Å; T21-L151 HydrophobicContact CG2-CD2 3.99Å; T21-V154 WeakPolarHBondContact OG1-CG1 3.48Å
22V98.3Very high96.9Very high76 Ų7644.1 Ų44.146%0.46126%0.255SS..Hα-helixtrans-63-48.1176.1171.10000110.2I18 L19 A20 L24 S25 V26I18-V22 WeakPolarHBondContact O-CG2 3.47Å; I18-V22 PolarHBondContact O-N 3.43Å; L19-V22 PolarHBondContact O-N 3.2Å; A20-V22 PolarHBondContact O-N 3.42Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.44Å; V22-S25 PolarHBondContact O-N 2.92Å; V22-V26 HydrophobicContact CG1-CG2 4.36Å; V22-V26 WeakPolarHBondContact O-CB 3.36Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.46Å; V22-V26 PolarHBondContact O-N 2.97Å
23Y98.4Very high97Very high82 Ų8240.3 Ų40.332%0.32224%0.236SC..Hα-helixtrans-59.8-45178.8-765.3000112.1L19 A20 A27 L221 I224 L228L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 2.81Å; A20-Y23 PolarHBondContact O-N 3.43Å; Y23-A27 VanDerWaalsContact O-CB 3.28Å; Y23-A27 WeakPolarHBondContact O-CB 3.36Å; Y23-A27 PolarHBondContact O-N 3.48Å; Y23-L221 HydrophobicContact CD1-CD2 4.29Å; Y23-L221 HydrophobicContact CD2-CD2 4.21Å; Y23-L221 HydrophobicContact CE1-CD2 4.48Å; Y23-L221 HydrophobicContact CE2-CD2 4.4Å; Y23-L221 HydrophobicContact CG-CD2 4.15Å; Y23-I224 HydrophobicContact CD2-CB 4.48Å; Y23-I224 HydrophobicContact CD2-CG2 4.01Å; Y23-I224 HydrophobicContact CE2-CG2 3.97Å; Y23-L228 HydrophobicContact CD2-CD1 4.06Å; Y23-L228 HydrophobicContact CE2-CD1 4.19Å
24L98.2Very high97Very high1 Ų141.4 Ų41.41%0.00524%0.24CC..Hα-helixtrans-65-42.2177.2-178.257.8000111.9A20 T21 V22 A27 I28 P147 S150 L151 T187A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 PolarHBondContact O-N 3.28Å; T21-L24 PolarHBondContact O-N 3.48Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.44Å; L24-A27 WeakPolarHBondContact O-CB 3.34Å; L24-A27 PolarHBondContact O-N 2.89Å; L24-I28 HydrophobicContact CD1-CD1 3.98Å; L24-I28 HydrophobicContact CD1-CG1 4.18Å; L24-I28 HydrophobicContact CG-CD1 3.84Å; L24-I28 WeakPolarHBondContact O-CD1 3.36Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.5Å; L24-I28 PolarHBondContact O-N 3.46Å; L24-P147 HydrophobicContact CD1-CB 4.19Å; L24-S150 WeakPolarHBondContact CD2-OG 3.45Å; L24-L151 HydrophobicContact CB-CD2 4.46Å; L24-L151 HydrophobicContact CD2-CD2 3.92Å; L24-L151 HydrophobicContact CD2-CG 4.06Å; L24-L151 HydrophobicContact CG-CD2 4.16Å; L24-L151 HydrophobicContact CG-CG 4.38Å; L24-T187 HydrophobicContact CD1-CG2 3.76Å; L24-T187 WeakPolarHBondContact CD2-OG1 3.4Å
25S97.8Very high96.9Very high56 Ų5642.1 Ų42.139%0.39224%0.236SC..Hα-helixtrans-63.6-44.3178.6-58.60000111.8T21 V22 A27 I28 G29T21-S25 VanDerWaalsContact O-CB 3.3Å; T21-S25 WeakPolarHBondContact O-CB 3.46Å; T21-S25 PolarHBondContact O-N 3.44Å; T21-S25 PolarHBondContact O-OG 3.47Å; V22-S25 PolarHBondContact O-N 2.92Å; S25-A27 VanDerWaalsContact C-N 3.35Å; S25-I28 PolarHBondContact O-N 3Å; S25-G29 PolarHBondContact O-N 2.95Å
26V97.6Very high96.7Very high59 Ų5938.6 Ų38.636%0.35821%0.214SC..Hα-helixtrans-63.7-42.4174.3173.10000110.5V22 I28 G29 T30 W217 L221V22-V26 HydrophobicContact CG1-CG2 4.36Å; V22-V26 WeakPolarHBondContact O-CB 3.36Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.46Å; V22-V26 PolarHBondContact O-N 2.97Å; V26-I28 PolarHBondContact O-N 3.27Å; V26-G29 PolarHBondContact O-N 3.19Å; V26-T30 HydrophobicContact CG1-CG2 4.15Å; V26-T30 WeakPolarHBondContact O-CB 3.47Å; V26-T30 WeakPolarHBondContact O-CG2 3.29Å; V26-T30 PolarHBondContact O-N 2.9Å; V26-T30 PolarHBondContact O-OG1 3.23Å; V26-W217 HydrophobicContact CG1-CH2 4.1Å; V26-W217 HydrophobicContact CG1-CZ3 3.88Å; V26-L221 HydrophobicContact CB-CD1 4.36Å; V26-L221 HydrophobicContact CG1-CD1 3.83Å
27A97.3Very high96.2Very high0 Ų040.2 Ų40.20%023%0.228CC..Hα-helixtrans-57.9-52.5176.700000111Y23 L24 S25 G29 T30 W33 S218 L221 A222Y23-A27 VanDerWaalsContact O-CB 3.28Å; Y23-A27 WeakPolarHBondContact O-CB 3.36Å; Y23-A27 PolarHBondContact O-N 3.48Å; L24-A27 WeakPolarHBondContact O-CB 3.34Å; L24-A27 PolarHBondContact O-N 2.89Å; S25-A27 VanDerWaalsContact C-N 3.35Å; A27-G29 VanDerWaalsContact C-N 3.31Å; A27-G29 PolarHBondContact O-N 2.85Å; A27-T30 PolarHBondContact O-N 3.42Å; A27-T30 PolarHBondContact O-OG1 2.91Å; A27-W33 HydrophobicContact CB-CZ2 4.14Å; A27-W33 PolarHBondContact O-NE1 3.32Å; A27-S218 WeakPolarHBondContact CB-O 3.29Å; A27-L221 HydrophobicContact CB-CB 4.29Å; A27-A222 HydrophobicContact CB-CB 3.8Å
28I95.8Very high95.3Very high12 Ų1240.3 Ų40.36%0.06223%0.229CC..Hα-helixtrans-60.6-40.5-179.6-64.7159000111.9L24 S25 V26 T30 L80 P147 L151L24-I28 HydrophobicContact CD1-CD1 3.98Å; L24-I28 HydrophobicContact CD1-CG1 4.18Å; L24-I28 HydrophobicContact CG-CD1 3.84Å; L24-I28 WeakPolarHBondContact O-CD1 3.36Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.5Å; L24-I28 PolarHBondContact O-N 3.46Å; S25-I28 PolarHBondContact O-N 3Å; V26-I28 PolarHBondContact O-N 3.27Å; I28-T30 VanDerWaalsContact C-N 3.31Å; I28-T30 PolarHBondContact O-N 2.91Å; I28-L80 HydrophobicContact CB-CD1 4.33Å; I28-L80 HydrophobicContact CG1-CD1 4.06Å; I28-L80 HydrophobicContact CG2-CD1 4.24Å; I28-P147 HydrophobicContact CD1-CB 3.76Å; I28-P147 HydrophobicContact CG1-CB 3.87Å; I28-P147 HydrophobicContact CG1-CG 4.44Å; I28-L151 HydrophobicContact CD1-CD1 3.5Å; I28-L151 HydrophobicContact CD1-CG 4.07Å
29G94.4Very high93.8Very high46 Ų4638.3 Ų38.347%0.47422%0.223SC..Hα-helixtrans-76.6-9.2-173.300000115.7S25 V26 A27S25-G29 PolarHBondContact O-N 2.95Å; V26-G29 PolarHBondContact O-N 3.19Å; A27-G29 VanDerWaalsContact C-N 3.31Å; A27-G29 PolarHBondContact O-N 2.85Å
30T94.9Very high91.9Very high22 Ų2237.4 Ų37.414%0.13522%0.221CC..  trans-110158.3-170.654.30000113V26 A27 I28 G79 W217 S218V26-T30 HydrophobicContact CG1-CG2 4.15Å; V26-T30 WeakPolarHBondContact O-CB 3.47Å; V26-T30 WeakPolarHBondContact O-CG2 3.29Å; V26-T30 PolarHBondContact O-N 2.9Å; V26-T30 PolarHBondContact O-OG1 3.23Å; A27-T30 PolarHBondContact O-N 3.42Å; A27-T30 PolarHBondContact O-OG1 2.91Å; I28-T30 VanDerWaalsContact C-N 3.31Å; I28-T30 PolarHBondContact O-N 2.91Å; T30-G79 WeakPolarHBondContact O-CA 3.04Å; T30-W217 HydrophobicContact CG2-CH2 3.69Å; T30-W217 HydrophobicContact CG2-CZ2 4.2Å; T30-S218 WeakPolarHBondContact OG1-CB 3.39Å; T30-S218 PolarHBondContact OG1-OG 2.66Å
31Q93.7Very high89.6Confident49 Ų4939.3 Ų39.323%0.22923%0.232CC..SBendtrans-89.411.9-178.765.4-78.2-8.200114.8T77 V78 G79 W82 L107Q31-T77 CarbonylContact O-C 3.47Å; Q31-T77 WeakPolarHBondContact O-CB 3.47Å; Q31-V78 CarbonylContact C-O 3.59Å; Q31-V78 CarbonylContact O-C 3.45Å; Q31-V78 PolarHBondContact O-N 3.2Å; Q31-V78 VanDerWaalsContact O-O 3.09Å; Q31-G79 PolarHBondContact O-N 2.9Å; Q31-W82 HydrophobicContact CB-CB 4.01Å; Q31-L107 HydrophobicContact CG-CD2 4.27Å
32H95.1Very high87.3Confident38 Ų3846.5 Ų46.518%0.17626%0.255CS..  trans-116.945.5-166.8-64.3-67.8000113.6G216 W217 S218H32-G216 CarbonylContact O-C 3.5Å; H32-G216 WeakPolarHBondContact O-CA 3.15Å; H32-W217 HydrophobicContact CB-CD2 4.38Å; H32-W217 HydrophobicContact CB-CG 4.42Å; H32-W217 HydrophobicContact CB-CZ2 4.23Å; H32-W217 VanDerWaalsContact CB-NE1 3.31Å; H32-W217 AromaticContact CD2-CE2 3.78Å; H32-W217 AromaticContact CD2-CZ2 3.69Å; H32-W217 AromaticContact CD2-NE1 3.4Å; H32-W217 PolarHBondContact CD2-NE1 3.45Å; H32-W217 AromaticContact CG-CE2 3.97Å; H32-W217 AromaticContact CG-NE1 3.34Å; H32-W217 VanDerWaalsContact CG-NE1 3.34Å; H32-W217 PolarHBondContact O-N 2.96Å; H32-S218 PolarHBondContact O-N 3.14Å; H32-S218 PolarHBondContact O-OG 3.3Å
33W96.9Very high85Confident0 Ų046.2 Ų46.20%027%0.268CS..SBendtrans-80.9-36.9171.8-74.954.9000111.6A27 V78 L80 T190 Y194 G216 S218 L219 A222A27-W33 HydrophobicContact CB-CZ2 4.14Å; A27-W33 PolarHBondContact O-NE1 3.32Å; W33-V78 WeakPolarHBondContact CA-O 3.41Å; W33-V78 VanDerWaalsContact CB-O 3.29Å; W33-V78 WeakPolarHBondContact CB-O 3.42Å; W33-V78 PolarHBondContact N-O 2.88Å; W33-L80 HydrophobicContact CD2-CD2 4.09Å; W33-L80 HydrophobicContact CD2-CG 4.12Å; W33-L80 HydrophobicContact CE3-CD2 3.99Å; W33-L80 HydrophobicContact CE3-CG 4.46Å; W33-L80 HydrophobicContact CH2-CD1 3.9Å; W33-L80 HydrophobicContact CH2-CD2 4.07Å; W33-L80 HydrophobicContact CH2-CG 4.14Å; W33-L80 HydrophobicContact CZ2-CD1 3.54Å; W33-L80 HydrophobicContact CZ2-CD2 4.12Å; W33-L80 HydrophobicContact CZ2-CG 3.71Å; W33-L80 HydrophobicContact CZ3-CD2 3.99Å; W33-L80 HydrophobicContact CZ3-CG 4.48Å; W33-T190 HydrophobicContact CH2-CG2 3.84Å; W33-T190 HydrophobicContact CZ3-CG2 4.14Å; W33-Y194 HydrophobicContact CB-CE1 3.95Å; W33-Y194 HydrophobicContact CB-CE2 4.11Å; W33-Y194 WeakPolarHBondContact CB-OH 3.4Å; W33-Y194 HydrophobicContact CD2-CE2 4.5Å; W33-Y194 AromaticContact CE3-CD1 3.93Å; W33-Y194 HydrophobicContact CE3-CD1 3.93Å; W33-Y194 AromaticContact CE3-CD2 3.7Å; W33-Y194 HydrophobicContact CE3-CD2 3.7Å; W33-Y194 HydrophobicContact CE3-CE1 4.16Å; W33-Y194 AromaticContact CE3-CE2 3.96Å; W33-Y194 HydrophobicContact CE3-CE2 3.96Å; W33-Y194 AromaticContact CE3-CG 3.69Å; W33-Y194 HydrophobicContact CE3-CG 3.69Å; W33-Y194 HydrophobicContact CZ3-CD2 4.25Å; W33-Y194 HydrophobicContact CZ3-CG 4.09Å; W33-G216 PolarHBondContact O-N 2.94Å; W33-S218 PolarHBondContact N-OG 2.98Å; W33-S218 PolarHBondContact NE1-OG 3.13Å; W33-L219 HydrophobicContact CB-CB 4.49Å; W33-L219 HydrophobicContact CD2-CD1 4.03Å; W33-L219 HydrophobicContact CE3-CD1 3.26Å; W33-L219 HydrophobicContact CZ3-CD1 3.57Å; W33-A222 HydrophobicContact CH2-CB 3.95Å; W33-A222 HydrophobicContact CZ2-CB 4.15Å
34Y96Very high82.7Confident24 Ų2450 Ų509%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-146.4148.5177.1-160.9-87.3000110.3Y36 T77 V78 Y194 M198 H202 G213 S214 L215Y34-Y36 HydrophobicContact CD1-CD1 4.44Å; Y34-Y36 HydrophobicContact CD1-CD2 4.26Å; Y34-Y36 HydrophobicContact CD1-CE1 4.11Å; Y34-Y36 AromaticContact CD1-CE2 3.89Å; Y34-Y36 HydrophobicContact CD1-CE2 3.89Å; Y34-Y36 AromaticContact CD1-CZ 3.81Å; Y34-Y36 AromaticContact CE1-CD1 3.92Å; Y34-Y36 HydrophobicContact CE1-CD1 3.92Å; Y34-Y36 AromaticContact CE1-CE1 3.56Å; Y34-Y36 HydrophobicContact CE1-CE1 3.56Å; Y34-Y36 HydrophobicContact CE1-CE2 4.21Å; Y34-Y36 HydrophobicContact CE1-CG 4.42Å; Y34-Y36 AromaticContact CE1-CZ 3.71Å; Y34-T77 WeakPolarHBondContact O-CA 3.47Å; Y34-V78 PolarHBondContact N-O 3.31Å; Y34-V78 VanDerWaalsContact N-O 3.17Å; Y34-V78 PolarHBondContact O-N 3.44Å; Y34-Y194 WeakPolarHBondContact CB-OH 3.49Å; Y34-M198 HydrophobicContact CD1-CE 3.72Å; Y34-M198 HydrophobicContact CD2-CE 4.11Å; Y34-M198 HydrophobicContact CE1-CE 4.06Å; Y34-M198 HydrophobicContact CE2-CE 4.42Å; Y34-M198 HydrophobicContact CG-CE 3.76Å; Y34-H202 AromaticContact CE1-CE1 3.98Å; Y34-H202 AromaticContact CZ-CE1 3.6Å; Y34-H202 PolarHBondContact OH-CE1 3.19Å; Y34-H202 VanDerWaalsContact OH-CE1 3.24Å; Y34-G213 VanDerWaalsContact OH-C 3.29Å; Y34-G213 WeakPolarHBondContact OH-CA 3.49Å; Y34-S214 WeakPolarHBondContact CA-O 3.24Å; Y34-L215 HydrophobicContact CD2-CD2 3.75Å; Y34-L215 HydrophobicContact CE2-CD2 3.81Å
35Q94.4Very high80.9Confident86 Ų8652.1 Ų52.140%0.40231%0.306SS..EExtended strand (participates in β ladder)trans-135.4131.9-179.6179.9171200110.7G76 T77 G213 S214Q35-G76 WeakPolarHBondContact CA-O 3.37Å; Q35-T77 HydrophobicContact CB-CG2 4.32Å; Q35-T77 HydrophobicContact CG-CG2 3.98Å; Q35-G213 WeakPolarHBondContact O-CA 3.41Å; Q35-S214 PolarHBondContact N-O 2.87Å; Q35-S214 PolarHBondContact O-N 3.23Å; Q35-S214 PolarHBondContact O-OG 3.48Å
36Y92.5Very high79.6Confident3 Ų354.2 Ų54.21%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-96.2138.2171.4-63-79.5000110.4Y34 L71 F72 N75 G76 V78 M198 H202 L207 V211 D212Y34-Y36 HydrophobicContact CD1-CD1 4.44Å; Y34-Y36 HydrophobicContact CD1-CD2 4.26Å; Y34-Y36 HydrophobicContact CD1-CE1 4.11Å; Y34-Y36 AromaticContact CD1-CE2 3.89Å; Y34-Y36 HydrophobicContact CD1-CE2 3.89Å; Y34-Y36 AromaticContact CD1-CZ 3.81Å; Y34-Y36 AromaticContact CE1-CD1 3.92Å; Y34-Y36 HydrophobicContact CE1-CD1 3.92Å; Y34-Y36 AromaticContact CE1-CE1 3.56Å; Y34-Y36 HydrophobicContact CE1-CE1 3.56Å; Y34-Y36 HydrophobicContact CE1-CE2 4.21Å; Y34-Y36 HydrophobicContact CE1-CG 4.42Å; Y34-Y36 AromaticContact CE1-CZ 3.71Å; Y36-L71 HydrophobicContact CD2-CB 4.12Å; Y36-L71 HydrophobicContact CE2-CB 4.33Å; Y36-F72 AromaticContact CD1-CD1 3.82Å; Y36-F72 HydrophobicContact CD1-CD1 3.82Å; Y36-F72 HydrophobicContact CD1-CE1 4.24Å; Y36-F72 HydrophobicContact CD2-CD1 4.24Å; Y36-F72 AromaticContact CE1-CD1 3.6Å; Y36-F72 HydrophobicContact CE1-CD1 3.6Å; Y36-F72 AromaticContact CE1-CE1 3.54Å; Y36-F72 HydrophobicContact CE1-CE1 3.54Å; Y36-F72 HydrophobicContact CE2-CD1 4.06Å; Y36-F72 AromaticContact CE2-CE1 3.92Å; Y36-F72 HydrophobicContact CE2-CE1 3.92Å; Y36-F72 HydrophobicContact CG-CD1 4.11Å; Y36-F72 AromaticContact CZ-CD1 3.74Å; Y36-F72 AromaticContact CZ-CE1 3.35Å; Y36-F72 VanDerWaalsContact OH-CE1 3.31Å; Y36-F72 WeakPolarHBondContact OH-CE1 3.21Å; Y36-N75 CarbonylContact O-C 3.58Å; Y36-N75 VanDerWaalsContact O-CA 3.32Å; Y36-N75 WeakPolarHBondContact O-CA 3.45Å; Y36-G76 PolarHBondContact N-O 3.39Å; Y36-V78 HydrophobicContact CD2-CG2 4.24Å; Y36-V78 HydrophobicContact CE2-CG2 3.74Å; Y36-M198 HydrophobicContact CE2-CE 4.43Å; Y36-M198 WeakPolarHBondContact OH-CE 3.43Å; Y36-H202 AromaticContact CE1-NE2 3.48Å; Y36-H202 WeakPolarHBondContact CE1-NE2 3.28Å; Y36-H202 AromaticContact CZ-NE2 3.57Å; Y36-H202 PolarHBondContact OH-NE2 3.42Å; Y36-L207 HydrophobicContact CE1-CD2 4.36Å; Y36-V211 HydrophobicContact CD1-CG1 4.17Å; Y36-D212 CarbonylContact C-O 3.58Å; Y36-D212 WeakPolarHBondContact CA-O 3.37Å
37S87.4Confident78.4Confident60 Ų6054.6 Ų54.642%0.4232%0.315SS..EExtended strand (participates in β ladder)trans-124.3108175.3-179.90000108.4D212S37-D212 PolarHBondContact N-O 3.4Å; S37-D212 PolarHBondContact O-N 2.94Å
38S80Confident77.5Confident15 Ų1558 Ų5811%0.10534%0.339CS..  trans-98.1135.2175.569.20000110.3T40 F72 R73 N75S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 3.21Å; S38-F72 VanDerWaalsContact CB-O 3.31Å; S38-F72 WeakPolarHBondContact CB-O 3.42Å; S38-R73 PolarHBondContact OG-O 3.25Å; S38-N75 WeakPolarHBondContact CA-OD1 3.28Å; S38-N75 WeakPolarHBondContact CB-OD1 3.48Å; S38-N75 PolarHBondContact N-OD1 2.68Å; S38-N75 PolarHBondContact O-OD1 2.72Å; S38-N75 PolarHBondContact OG-OD1 3.34Å
39P67.3Low76.8Confident67 Ų6761.5 Ų61.544%0.43536%0.355SS..SBendtrans-74.398.1171.920.3-17.7000107.1K210P39-K210 WeakPolarHBondContact CD-O 3.41Å; P39-K210 HydrophobicContact CG-CB 3.25Å; P39-K210 HydrophobicContact CG-CD 3.99Å; P39-K210 HydrophobicContact CG-CG 4.27Å; P39-K210 VanDerWaalsContact CG-O 3.26Å; P39-K210 WeakPolarHBondContact CG-O 3.27Å
40T56.5Low76.1Confident57 Ų5760.1 Ų60.135%0.3534%0.337SS..  trans88.488.1154.673.60000118.3S38 R42S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 3.21Å; T40-R42 VanDerWaalsContact CB-N 3.27Å; T40-R42 HydrophobicContact CG2-CB 3.53Å; T40-R42 PolarHBondContact O-N 3.16Å
41V51.3Low75.5Confident39 Ų3964.8 Ų64.824%0.23635%0.352CS..THydrogen-bonded Turn-58.320.3123.2-171.70000111.8L74 M105V41-L74 HydrophobicContact CG2-CD2 4.4Å; V41-M105 HydrophobicContact CB-CE 4.15Å; V41-M105 HydrophobicContact CG1-CE 3.7Å
42R49.2Very low75.2Confident185 Ų18565.5 Ų65.570%0.69836%0.362SS*.THydrogen-bonded Turntrans-126.46-163.9-100.5-178.3179.9168-1.8114.2T40 D102T40-R42 VanDerWaalsContact CB-N 3.27Å; T40-R42 HydrophobicContact CG2-CB 3.53Å; T40-R42 PolarHBondContact O-N 3.16Å; R42-D102 IonicContact CZ-OD1 2.77Å; R42-D102 IonicContact NE-OD1 3.92Å; R42-D102 IonicContact NH2-OD1 3.76Å; R42-D102 PolarHBondContact NH2-OD1 3.49Å; R42-D102 IonicContact NH2-OD2 3.68Å
43G49.9Very low74.8Confident70 Ų7064.9 Ų64.972%0.72236%0.36SS*.THydrogen-bonded Turntrans177-26171.100000119.4
44E50.9Low74.3Confident161 Ų16167 Ų6775%0.75237%0.369SS*.THydrogen-bonded Turntrans-112.7-24-169.6-69.9-178.4169.300115.1
45A60.3Low74Confident46 Ų4669.1 Ų69.138%0.3838%0.381SS..SBendtrans-84.1134.8-177.500000112.5V47 L50A45-V47 PolarHBondContact O-N 3.5Å; A45-L50 HydrophobicContact CB-CD1 3.73Å; A45-L50 HydrophobicContact CB-CD2 4.23Å; A45-L50 HydrophobicContact CB-CG 4.03Å
46N69.7Low73.7Confident100 Ų10069.2 Ų69.254%0.53538%0.382SS..  trans-65.3121.9177.2-171.6-13.7000109.8S48 E49 L50N46-S48 PolarHBondContact ND2-OG 2.96Å; N46-S48 PolarHBondContact O-N 3.49Å; N46-S48 VanDerWaalsContact O-N 3.13Å; N46-S48 PolarHBondContact OD1-N 3.12Å; N46-S48 PolarHBondContact OD1-OG 3.41Å; N46-E49 HydrophobicContact CB-CB 4.25Å; N46-E49 WeakPolarHBondContact O-CB 3.39Å; N46-E49 PolarHBondContact O-N 3.48Å; N46-L50 PolarHBondContact O-N 3.49Å; N46-L50 VanDerWaalsContact O-N 3.15Å
47V73.9Confident73.6Confident66 Ų6669.3 Ų69.340%0.438%0.382SS..Hα-helixtrans-57-32.8-176.4-1790000112A45 R51 W93A45-V47 PolarHBondContact O-N 3.5Å; V47-R51 WeakPolarHBondContact O-CB 3.36Å; V47-R51 PolarHBondContact O-N 3.06Å; V47-R51 VanDerWaalsContact O-N 3.09Å; V47-W93 HydrophobicContact CG1-CE3 4.09Å; V47-W93 VanDerWaalsContact CG1-O 3.26Å; V47-W93 WeakPolarHBondContact CG1-O 3.38Å
48S77.5Confident73.7Confident72 Ų7269.3 Ų69.350%0.50338%0.377SS..Hα-helixtrans-66.5-37.5176.658.90000113.2N46 R51 S52N46-S48 PolarHBondContact ND2-OG 2.96Å; N46-S48 PolarHBondContact O-N 3.49Å; N46-S48 VanDerWaalsContact O-N 3.13Å; N46-S48 PolarHBondContact OD1-N 3.12Å; N46-S48 PolarHBondContact OD1-OG 3.41Å; S48-R51 PolarHBondContact O-N 3.43Å; S48-S52 PolarHBondContact O-N 2.98Å; S48-S52 PolarHBondContact O-OG 3.44Å
49E81.4Confident74.1Confident86 Ų8674.3 Ų74.340%0.40241%0.407SS..Hα-helixtrans-71.7-41.6177.9-174-174.4169.300111.4N46 R51 S52 L53 R73N46-E49 HydrophobicContact CB-CB 4.25Å; N46-E49 WeakPolarHBondContact O-CB 3.39Å; N46-E49 PolarHBondContact O-N 3.48Å; E49-R51 PolarHBondContact O-N 3.04Å; E49-S52 WeakPolarHBondContact CA-OG 3.5Å; E49-S52 PolarHBondContact O-N 3.24Å; E49-S52 PolarHBondContact O-OG 2.95Å; E49-L53 WeakPolarHBondContact O-CG 3.48Å; E49-L53 PolarHBondContact O-N 3.36Å; E49-R73 IonicContact OE1-CZ 3.88Å; E49-R73 IonicContact OE1-NH1 2.71Å; E49-R73 PolarHBondContact OE1-NH1 3.1Å
50L79.8Confident74.9Confident16 Ų1672.1 Ų72.18%0.08440%0.396CS..Hα-helixtrans-60.9-37174.4-70.6162.9000111.3A45 N46 Y54 L74 W93A45-L50 HydrophobicContact CB-CD1 3.73Å; A45-L50 HydrophobicContact CB-CD2 4.23Å; A45-L50 HydrophobicContact CB-CG 4.03Å; N46-L50 PolarHBondContact O-N 3.49Å; N46-L50 VanDerWaalsContact O-N 3.15Å; L50-Y54 WeakPolarHBondContact O-CB 3.3Å; L50-Y54 PolarHBondContact O-N 2.93Å; L50-L74 HydrophobicContact CB-CD2 4.37Å; L50-L74 HydrophobicContact CD2-CD2 3.42Å; L50-L74 VanDerWaalsContact CD2-CD2 3.42Å; L50-L74 HydrophobicContact CD2-CG 4.37Å; L50-L74 HydrophobicContact CG-CD2 4.45Å; L50-W93 HydrophobicContact CB-CZ3 3.87Å
51R82.5Confident76.2Confident120 Ų12077.8 Ų77.845%0.45342%0.418SS..Hα-helixtrans-69-44.6177.4-175.2173.5178.4161.51.4111.7V47 S48 E49 L53 Y54 D55 W93V47-R51 WeakPolarHBondContact O-CB 3.36Å; V47-R51 PolarHBondContact O-N 3.06Å; V47-R51 VanDerWaalsContact O-N 3.09Å; S48-R51 PolarHBondContact O-N 3.43Å; E49-R51 PolarHBondContact O-N 3.04Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.47Å; R51-Y54 PolarHBondContact O-N 3.5Å; R51-D55 IonicContact NE-OD2 3.7Å; R51-D55 PolarHBondContact O-N 2.92Å; R51-W93 VanDerWaalsContact CA-CZ3 3.5Å; R51-W93 HydrophobicContact CB-CE3 3.71Å; R51-W93 HydrophobicContact CB-CZ3 3.77Å; R51-W93 HydrophobicContact CG-CE3 4.24Å
52S86Confident77.7Confident64 Ų6477.9 Ų77.945%0.44842%0.416SS..Hα-helixtrans-62-40.2176.8550000112S48 E49 D55 E56S48-S52 PolarHBondContact O-N 2.98Å; S48-S52 PolarHBondContact O-OG 3.44Å; E49-S52 WeakPolarHBondContact CA-OG 3.5Å; E49-S52 PolarHBondContact O-N 3.24Å; E49-S52 PolarHBondContact O-OG 2.95Å; S52-D55 PolarHBondContact O-N 3.45Å; S52-E56 WeakPolarHBondContact O-CB 3.38Å; S52-E56 PolarHBondContact O-N 3.31Å
53L86.7Confident79.5Confident26 Ų2670.7 Ų70.714%0.13639%0.391CS..Hα-helixtrans-62.2-42.9175.1-73.9168.9000111.9E49 R51 F57E49-L53 WeakPolarHBondContact O-CG 3.48Å; E49-L53 PolarHBondContact O-N 3.36Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.47Å; L53-F57 VanDerWaalsContact O-CB 3.29Å; L53-F57 WeakPolarHBondContact O-CB 3.41Å; L53-F57 PolarHBondContact O-N 3.29Å
54Y87.5Confident81.4Confident45 Ų4567.9 Ų67.918%0.17636%0.359CS..Hα-helixtrans-62.9-47.6175.4168.4-98.6000112.3L50 R51 E56 F57 M58 V85 V87 W93 E108L50-Y54 WeakPolarHBondContact O-CB 3.3Å; L50-Y54 PolarHBondContact O-N 2.93Å; R51-Y54 PolarHBondContact O-N 3.5Å; Y54-E56 VanDerWaalsContact C-N 3.33Å; Y54-E56 PolarHBondContact O-N 2.9Å; Y54-F57 WeakPolarHBondContact O-CB 3.38Å; Y54-F57 PolarHBondContact O-N 3.28Å; Y54-M58 HydrophobicContact CD2-CG 4.07Å; Y54-M58 HydrophobicContact CE1-CG 4.17Å; Y54-M58 HydrophobicContact CE2-CG 3.53Å; Y54-M58 HydrophobicContact CE2-SD 4.23Å; Y54-M58 WeakPolarHBondContact O-CG 3.4Å; Y54-M58 PolarHBondContact O-N 3.39Å; Y54-V85 HydrophobicContact CD2-CG2 4.25Å; Y54-V87 HydrophobicContact CD2-CG1 3.76Å; Y54-V87 HydrophobicContact CE2-CG1 4.28Å; Y54-V87 HydrophobicContact CE2-CG2 4.26Å; Y54-V87 HydrophobicContact CG-CG1 4.37Å; Y54-W93 HydrophobicContact CG-CZ2 4.42Å; Y54-E108 HydrophobicContact CE2-CB 4.04Å; Y54-E108 HydrophobicContact CE2-CG 4.19Å
55D88.9Confident83.3Confident67 Ų6765.7 Ų65.736%0.35835%0.347SS..Hα-helixtrans-63.5-41-179-72.7-24.9000110.7R51 S52 M58 T59R51-D55 IonicContact NE-OD2 3.7Å; R51-D55 PolarHBondContact O-N 2.92Å; S52-D55 PolarHBondContact O-N 3.45Å; D55-M58 PolarHBondContact O-N 3.25Å; D55-T59 WeakPolarHBondContact O-CB 3.34Å; D55-T59 PolarHBondContact O-N 2.99Å; D55-T59 PolarHBondContact O-OG1 3.25Å
56E89.3Confident84.6Confident89 Ų8964.7 Ų64.742%0.41634%0.337SS..Hα-helixtrans-64.3-41.5174-163.7-172.8158.900111.7S52 Y54 M58 G60 T66S52-E56 WeakPolarHBondContact O-CB 3.38Å; S52-E56 PolarHBondContact O-N 3.31Å; Y54-E56 VanDerWaalsContact C-N 3.33Å; Y54-E56 PolarHBondContact O-N 2.9Å; E56-M58 VanDerWaalsContact C-N 3.34Å; E56-M58 PolarHBondContact O-N 3.46Å; E56-G60 WeakPolarHBondContact O-CA 3.28Å; E56-G60 PolarHBondContact O-N 2.93Å; E56-T66 HydrophobicContact CB-CG2 4.4Å; E56-T66 VanDerWaalsContact CD-CG2 3.47Å; E56-T66 HydrophobicContact CG-CG2 3.68Å; E56-T66 WeakPolarHBondContact OE1-CG2 3.27Å; E56-T66 PolarHBondContact OE1-OG1 3.4Å
57F90.4Very high85.6Confident4 Ų460.5 Ų60.52%0.01831%0.313CS..Hα-helixtrans-62.9-38.7175.4171-98.4000113.1L53 Y54 T70 R83 V85 R110L53-F57 VanDerWaalsContact O-CB 3.29Å; L53-F57 WeakPolarHBondContact O-CB 3.41Å; L53-F57 PolarHBondContact O-N 3.29Å; Y54-F57 WeakPolarHBondContact O-CB 3.38Å; Y54-F57 PolarHBondContact O-N 3.28Å; F57-T70 HydrophobicContact CB-CG2 3.72Å; F57-T70 HydrophobicContact CD2-CG2 4.24Å; F57-T70 HydrophobicContact CG-CG2 3.99Å; F57-R83 HydrophobicContact CE2-CB 3.98Å; F57-R83 HydrophobicContact CZ-CB 3.88Å; F57-V85 HydrophobicContact CD1-CG2 4.13Å; F57-V85 HydrophobicContact CE1-CG1 4.42Å; F57-V85 HydrophobicContact CE1-CG2 4.03Å; F57-V85 HydrophobicContact CZ-CG1 4.47Å; F57-R110 HydrophobicContact CE1-CB 3.93Å; F57-R110 HydrophobicContact CZ-CB 3.79Å; F57-R110 WeakPolarHBondContact O-CD 3.22Å; F57-R110 PolarHBondContact O-NH1 2.9Å
58M89.7Confident86.4Confident61 Ų6157.4 Ų57.430%0.330%0.295SS..Hα-helixtrans-81.6-37.6-178.1-70.9-59.3-69.400113.4Y54 D55 E56Y54-M58 HydrophobicContact CD2-CG 4.07Å; Y54-M58 HydrophobicContact CE1-CG 4.17Å; Y54-M58 HydrophobicContact CE2-CG 3.53Å; Y54-M58 HydrophobicContact CE2-SD 4.23Å; Y54-M58 WeakPolarHBondContact O-CG 3.4Å; Y54-M58 PolarHBondContact O-N 3.39Å; D55-M58 PolarHBondContact O-N 3.25Å; E56-M58 VanDerWaalsContact C-N 3.34Å; E56-M58 PolarHBondContact O-N 3.46Å
59T87.1Confident86.9Confident120 Ų12056.5 Ų56.574%0.73628%0.284SS*.Hα-helixtrans-114.8-18-169.965.80000114.3D55D55-T59 WeakPolarHBondContact O-CB 3.34Å; D55-T59 PolarHBondContact O-N 2.99Å; D55-T59 PolarHBondContact O-OG1 3.25Å
60G84Confident87.3Confident21 Ų2152.4 Ų52.422%0.21627%0.265CS..SBendtrans-75.1171.8-177.100000113.9E56 R110E56-G60 WeakPolarHBondContact O-CA 3.28Å; E56-G60 PolarHBondContact O-N 2.93Å; G60-R110 PolarHBondContact O-NH1 3.49Å; G60-R110 PolarHBondContact O-NH2 3.45Å
61E84.6Confident87.9Confident175 Ų17551.9 Ų51.982%0.81826%0.262SS*.  trans-60.8153.1175.6-67.5-168.2169.300111.6D63E61-D63 VanDerWaalsContact C-N 3.33Å; E61-D63 PolarHBondContact O-N 2.94Å
62F82.5Confident88.2Confident42 Ų4246.2 Ų46.218%0.18424%0.241CC..  trans-78.683.7-177.6-171-104.6000111.2Y67 F112 E116F62-Y67 HydrophobicContact CD2-CD1 4.31Å; F62-Y67 AromaticContact CE1-CE1 3.93Å; F62-Y67 HydrophobicContact CE1-CE1 3.93Å; F62-Y67 AromaticContact CE2-CD1 3.57Å; F62-Y67 HydrophobicContact CE2-CD1 3.57Å; F62-Y67 AromaticContact CE2-CE1 3.69Å; F62-Y67 HydrophobicContact CE2-CE1 3.69Å; F62-Y67 AromaticContact CZ-CD1 3.73Å; F62-Y67 HydrophobicContact CZ-CD1 3.73Å; F62-Y67 AromaticContact CZ-CE1 3.31Å; F62-Y67 HydrophobicContact CZ-CE1 3.31Å; F62-F112 HydrophobicContact CD2-CD1 4.24Å; F62-F112 HydrophobicContact CD2-CE1 4.4Å; F62-F112 HydrophobicContact CE1-CD1 4.31Å; F62-F112 HydrophobicContact CE1-CE1 4.41Å; F62-F112 AromaticContact CE2-CD1 3.27Å; F62-F112 HydrophobicContact CE2-CD1 3.27Å; F62-F112 AromaticContact CE2-CE1 3.16Å; F62-F112 HydrophobicContact CE2-CE1 3.16Å; F62-F112 HydrophobicContact CE2-CZ 4.44Å; F62-F112 AromaticContact CZ-CD1 3.28Å; F62-F112 HydrophobicContact CZ-CD1 3.28Å; F62-F112 AromaticContact CZ-CE1 3.14Å; F62-F112 HydrophobicContact CZ-CE1 3.14Å; F62-F112 HydrophobicContact CZ-CG 4.49Å; F62-F112 HydrophobicContact CZ-CZ 4.23Å; F62-E116 HydrophobicContact CB-CG 4.09Å; F62-E116 VanDerWaalsContact CB-OE1 3.3Å; F62-E116 WeakPolarHBondContact CB-OE1 3.49Å; F62-E116 HydrophobicContact CD1-CB 3.7Å; F62-E116 HydrophobicContact CD1-CG 3.57Å; F62-E116 HydrophobicContact CD2-CG 4.39Å; F62-E116 HydrophobicContact CE1-CB 3.76Å; F62-E116 HydrophobicContact CE1-CG 4.16Å; F62-E116 HydrophobicContact CG-CB 4.2Å; F62-E116 HydrophobicContact CG-CG 3.7Å; F62-E116 WeakPolarHBondContact CG-OE1 3.26Å; F62-E116 HydrophobicContact CZ-CB 4.36Å
63D87.7Confident88.2Confident33 Ų3348.6 Ų48.618%0.17624%0.24CC..  trans-114.3134.1-178.6-173.272.4000113E61 K65 T66 Y67 G126E61-D63 VanDerWaalsContact C-N 3.33Å; E61-D63 PolarHBondContact O-N 2.94Å; D63-K65 VanDerWaalsContact C-N 3.3Å; D63-K65 PolarHBondContact O-N 3.02Å; D63-K65 WeakPolarHBondContact OD2-CA 3.39Å; D63-K65 WeakPolarHBondContact OD2-CB 3.49Å; D63-K65 PolarHBondContact OD2-N 3.45Å; D63-T66 PolarHBondContact O-N 3.24Å; D63-T66 PolarHBondContact OD2-N 2.93Å; D63-Y67 WeakPolarHBondContact O-CD1 3.5Å; D63-Y67 PolarHBondContact O-N 3.28Å; D63-Y67 VanDerWaalsContact O-N 3.07Å; D63-G126 WeakPolarHBondContact OD1-CA 3.44Å; D63-G126 WeakPolarHBondContact OD2-CA 3.41Å
64E89.3Confident88.2Confident12 Ų1247.4 Ų47.46%0.05623%0.234CC..Hα-helixtrans-60.7-36.5-177.2178.3175.3-147.500113.8Y67 S68 P125 R136 L201E64-Y67 VanDerWaalsContact CA-CZ 3.44Å; E64-Y67 HydrophobicContact CB-CE1 4.07Å; E64-Y67 HydrophobicContact CG-CE2 4.27Å; E64-Y67 VanDerWaalsContact CG-OH 3.32Å; E64-Y67 WeakPolarHBondContact CG-OH 3.47Å; E64-S68 WeakPolarHBondContact O-CB 3.24Å; E64-S68 PolarHBondContact O-N 3.44Å; E64-S68 PolarHBondContact O-OG 3.5Å; E64-P125 HydrophobicContact CG-CB 4.19Å; E64-R136 VanDerWaalsContact CD-NH2 3.33Å; E64-R136 IonicContact OE1-CZ 3.44Å; E64-R136 IonicContact OE1-NE 3.62Å; E64-R136 PolarHBondContact OE1-NE 2.93Å; E64-R136 VanDerWaalsContact OE1-NE 3.14Å; E64-R136 IonicContact OE1-NH2 3.14Å; E64-R136 PolarHBondContact OE1-NH2 3.26Å; E64-R136 IonicContact OE2-CZ 2.68Å; E64-R136 IonicContact OE2-NE 3.29Å; E64-R136 IonicContact OE2-NH2 3.74Å; E64-R136 PolarHBondContact OE2-NH2 3.06Å; E64-L201 HydrophobicContact CG-CD1 4.49Å
65K90.1Very high88.2Confident114 Ų11447 Ų4750%0.49624%0.235SC..Hα-helixtrans-70.3-52.6178.6-174.2176.3177.2174.70110D63 Y67 S68 D69 P125D63-K65 VanDerWaalsContact C-N 3.3Å; D63-K65 PolarHBondContact O-N 3.02Å; D63-K65 WeakPolarHBondContact OD2-CA 3.39Å; D63-K65 WeakPolarHBondContact OD2-CB 3.49Å; D63-K65 PolarHBondContact OD2-N 3.45Å; K65-Y67 PolarHBondContact O-N 2.95Å; K65-S68 PolarHBondContact O-N 3Å; K65-S68 VanDerWaalsContact O-N 3.15Å; K65-D69 WeakPolarHBondContact O-CB 3.32Å; K65-D69 PolarHBondContact O-N 3.46Å; K65-P125 HydrophobicContact CB-CB 4.22Å
66T88.9Confident88.4Confident26 Ų2643.8 Ų43.816%0.1622%0.218CC..Hα-helixtrans-55.3-50.6-178-64.50000111.9E56 D63 S68 T70E56-T66 HydrophobicContact CB-CG2 4.4Å; E56-T66 VanDerWaalsContact CD-CG2 3.47Å; E56-T66 HydrophobicContact CG-CG2 3.68Å; E56-T66 WeakPolarHBondContact OE1-CG2 3.27Å; E56-T66 PolarHBondContact OE1-OG1 3.4Å; D63-T66 PolarHBondContact O-N 3.24Å; D63-T66 PolarHBondContact OD2-N 2.93Å; T66-S68 PolarHBondContact O-N 3.09Å; T66-T70 WeakPolarHBondContact O-CB 3.49Å; T66-T70 PolarHBondContact O-N 2.96Å; T66-T70 PolarHBondContact O-OG1 3Å
67Y89.9Confident88.6Confident11 Ų1139.8 Ų39.84%0.04320%0.199CC..Hα-helixtrans-70.4-33.5-179.370.8-119.2000112.6F62 D63 E64 K65 L71 K121F62-Y67 HydrophobicContact CD2-CD1 4.31Å; F62-Y67 AromaticContact CE1-CE1 3.93Å; F62-Y67 HydrophobicContact CE1-CE1 3.93Å; F62-Y67 AromaticContact CE2-CD1 3.57Å; F62-Y67 HydrophobicContact CE2-CD1 3.57Å; F62-Y67 AromaticContact CE2-CE1 3.69Å; F62-Y67 HydrophobicContact CE2-CE1 3.69Å; F62-Y67 AromaticContact CZ-CD1 3.73Å; F62-Y67 HydrophobicContact CZ-CD1 3.73Å; F62-Y67 AromaticContact CZ-CE1 3.31Å; F62-Y67 HydrophobicContact CZ-CE1 3.31Å; D63-Y67 WeakPolarHBondContact O-CD1 3.5Å; D63-Y67 PolarHBondContact O-N 3.28Å; D63-Y67 VanDerWaalsContact O-N 3.07Å; E64-Y67 VanDerWaalsContact CA-CZ 3.44Å; E64-Y67 HydrophobicContact CB-CE1 4.07Å; E64-Y67 HydrophobicContact CG-CE2 4.27Å; E64-Y67 VanDerWaalsContact CG-OH 3.32Å; E64-Y67 WeakPolarHBondContact CG-OH 3.47Å; K65-Y67 PolarHBondContact O-N 2.95Å; Y67-L71 HydrophobicContact CD2-CD1 4.13Å; Y67-L71 VanDerWaalsContact O-CD1 3.3Å; Y67-L71 WeakPolarHBondContact O-CD1 3.5Å; Y67-L71 WeakPolarHBondContact O-CG 3.47Å; Y67-L71 PolarHBondContact O-N 3.38Å; Y67-K121 PolarHBondContact OH-NZ 3.22Å
68S90.8Very high88.8Confident2 Ų239.8 Ų39.81%0.01420%0.199CC..Hα-helixtrans-70.3-46-178.8-60.60000111E64 K65 T66 T70 L71 F72E64-S68 WeakPolarHBondContact O-CB 3.24Å; E64-S68 PolarHBondContact O-N 3.44Å; E64-S68 PolarHBondContact O-OG 3.5Å; K65-S68 PolarHBondContact O-N 3Å; K65-S68 VanDerWaalsContact O-N 3.15Å; T66-S68 PolarHBondContact O-N 3.09Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.18Å; S68-L71 WeakPolarHBondContact O-CB 3.45Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-L71 VanDerWaalsContact O-N 3.12Å; S68-F72 VanDerWaalsContact O-CD1 3.23Å; S68-F72 WeakPolarHBondContact O-CD1 3.36Å; S68-F72 WeakPolarHBondContact O-CD2 3.31Å; S68-F72 WeakPolarHBondContact O-CE1 3.5Å; S68-F72 WeakPolarHBondContact O-CG 3.35Å; S68-F72 PolarHBondContact O-N 2.81Å
69D88.9Confident89Confident53 Ų5336.9 Ų36.928%0.28319%0.185SC..Hα-helixtrans-59.6-40.7177.4-73.2-9.2000111.1K65 F72 R73K65-D69 WeakPolarHBondContact O-CB 3.32Å; K65-D69 PolarHBondContact O-N 3.46Å; D69-F72 PolarHBondContact O-N 3.02Å; D69-R73 WeakPolarHBondContact O-CG 3.24Å; D69-R73 PolarHBondContact O-N 2.72Å; D69-R73 VanDerWaalsContact O-N 3.13Å
70T89.9Confident89.3Confident0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-63.7-44.9176-52.80000111.5F57 T66 S68 F72 R73 L74 V85F57-T70 HydrophobicContact CB-CG2 3.72Å; F57-T70 HydrophobicContact CD2-CG2 4.24Å; F57-T70 HydrophobicContact CG-CG2 3.99Å; T66-T70 WeakPolarHBondContact O-CB 3.49Å; T66-T70 PolarHBondContact O-N 2.96Å; T66-T70 PolarHBondContact O-OG1 3Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.18Å; T70-F72 VanDerWaalsContact C-N 3.29Å; T70-F72 PolarHBondContact O-N 3.45Å; T70-R73 PolarHBondContact O-N 2.89Å; T70-L74 HydrophobicContact CG2-CD1 3.7Å; T70-L74 HydrophobicContact CG2-CG 4.37Å; T70-L74 WeakPolarHBondContact O-CB 3.47Å; T70-L74 PolarHBondContact O-N 3.5Å; T70-V85 HydrophobicContact CG2-CG1 4.05Å
71L91.4Very high89.6Confident4 Ų433.1 Ų33.12%0.02115%0.151CC..Hα-helixtrans-61.6-37.8177.8-70.4160.1000112.1Y36 Y67 S68 R73 G76 V78 R83 C84 V85Y36-L71 HydrophobicContact CD2-CB 4.12Å; Y36-L71 HydrophobicContact CE2-CB 4.33Å; Y67-L71 HydrophobicContact CD2-CD1 4.13Å; Y67-L71 VanDerWaalsContact O-CD1 3.3Å; Y67-L71 WeakPolarHBondContact O-CD1 3.5Å; Y67-L71 WeakPolarHBondContact O-CG 3.47Å; Y67-L71 PolarHBondContact O-N 3.38Å; S68-L71 WeakPolarHBondContact O-CB 3.45Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-L71 VanDerWaalsContact O-N 3.12Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-G76 WeakPolarHBondContact O-CA 3.45Å; L71-G76 PolarHBondContact O-N 2.99Å; L71-V78 HydrophobicContact CD1-CG2 4.29Å; L71-R83 HydrophobicContact CD1-CB 4.42Å; L71-R83 HydrophobicContact CD1-CG 4.25Å; L71-R83 HydrophobicContact CD2-CB 4.23Å; L71-C84 WeakPolarHBondContact CD2-O 3.42Å; L71-V85 HydrophobicContact CD2-CG1 4.05Å
72F89.5Confident89.9Confident1 Ų129.1 Ų29.10%0.00413%0.129CC..Hα-helixtrans-69.2-32.5179-55.8-17.4000111.9Y36 S38 S68 D69 T70 S205 L207 P208 V211Y36-F72 AromaticContact CD1-CD1 3.82Å; Y36-F72 HydrophobicContact CD1-CD1 3.82Å; Y36-F72 HydrophobicContact CD1-CE1 4.24Å; Y36-F72 HydrophobicContact CD2-CD1 4.24Å; Y36-F72 AromaticContact CE1-CD1 3.6Å; Y36-F72 HydrophobicContact CE1-CD1 3.6Å; Y36-F72 AromaticContact CE1-CE1 3.54Å; Y36-F72 HydrophobicContact CE1-CE1 3.54Å; Y36-F72 HydrophobicContact CE2-CD1 4.06Å; Y36-F72 AromaticContact CE2-CE1 3.92Å; Y36-F72 HydrophobicContact CE2-CE1 3.92Å; Y36-F72 HydrophobicContact CG-CD1 4.11Å; Y36-F72 AromaticContact CZ-CD1 3.74Å; Y36-F72 AromaticContact CZ-CE1 3.35Å; Y36-F72 VanDerWaalsContact OH-CE1 3.31Å; Y36-F72 WeakPolarHBondContact OH-CE1 3.21Å; S38-F72 VanDerWaalsContact CB-O 3.31Å; S38-F72 WeakPolarHBondContact CB-O 3.42Å; S68-F72 VanDerWaalsContact O-CD1 3.23Å; S68-F72 WeakPolarHBondContact O-CD1 3.36Å; S68-F72 WeakPolarHBondContact O-CD2 3.31Å; S68-F72 WeakPolarHBondContact O-CE1 3.5Å; S68-F72 WeakPolarHBondContact O-CG 3.35Å; S68-F72 PolarHBondContact O-N 2.81Å; D69-F72 PolarHBondContact O-N 3.02Å; T70-F72 VanDerWaalsContact C-N 3.29Å; T70-F72 PolarHBondContact O-N 3.45Å; F72-S205 WeakPolarHBondContact CE2-OG 3.15Å; F72-L207 HydrophobicContact CE2-CD1 4.4Å; F72-L207 HydrophobicContact CZ-CD1 4.25Å; F72-P208 HydrophobicContact CB-CG 4.28Å; F72-P208 HydrophobicContact CD2-CG 4.49Å; F72-V211 HydrophobicContact CB-CG1 4.39Å
73R86.1Confident90.5Very high115 Ų11527.4 Ų27.443%0.43412%0.121SC..Hα-helixtrans-93.4-23.8-175.5-68.7179.7172.5-141.65114.8S38 E49 D69 T70 L71S38-R73 PolarHBondContact OG-O 3.25Å; E49-R73 IonicContact OE1-CZ 3.88Å; E49-R73 IonicContact OE1-NH1 2.71Å; E49-R73 PolarHBondContact OE1-NH1 3.1Å; D69-R73 WeakPolarHBondContact O-CG 3.24Å; D69-R73 PolarHBondContact O-N 2.72Å; D69-R73 VanDerWaalsContact O-N 3.13Å; T70-R73 PolarHBondContact O-N 2.89Å; L71-R73 VanDerWaalsContact C-N 3.32Å
74L86.3Confident90.7Very high1 Ų125.8 Ų25.81%0.00511%0.112CC..THydrogen-bonded Turntrans-116.134.8-175.5-66.9179.2000113.6V41 L50 T70 G76 V85 L86 V87V41-L74 HydrophobicContact CG2-CD2 4.4Å; L50-L74 HydrophobicContact CB-CD2 4.37Å; L50-L74 HydrophobicContact CD2-CD2 3.42Å; L50-L74 VanDerWaalsContact CD2-CD2 3.42Å; L50-L74 HydrophobicContact CD2-CG 4.37Å; L50-L74 HydrophobicContact CG-CD2 4.45Å; T70-L74 HydrophobicContact CG2-CD1 3.7Å; T70-L74 HydrophobicContact CG2-CG 4.37Å; T70-L74 WeakPolarHBondContact O-CB 3.47Å; T70-L74 PolarHBondContact O-N 3.5Å; L74-G76 PolarHBondContact O-N 2.89Å; L74-V85 HydrophobicContact CB-CB 3.88Å; L74-V85 HydrophobicContact CB-CG1 4.1Å; L74-V85 HydrophobicContact CD1-CB 4.47Å; L74-L86 PolarHBondContact O-N 3.28Å; L74-V87 HydrophobicContact CD1-CG1 4.15Å
75N88Confident90.9Very high36 Ų3625.2 Ų25.219%0.19311%0.11CC..THydrogen-bonded Turntrans48.159.1-179.9-69.8-8.3000112.8Y36 S38 L86Y36-N75 CarbonylContact O-C 3.58Å; Y36-N75 VanDerWaalsContact O-CA 3.32Å; Y36-N75 WeakPolarHBondContact O-CA 3.45Å; S38-N75 WeakPolarHBondContact CA-OD1 3.28Å; S38-N75 WeakPolarHBondContact CB-OD1 3.48Å; S38-N75 PolarHBondContact N-OD1 2.68Å; S38-N75 PolarHBondContact O-OD1 2.72Å; S38-N75 PolarHBondContact OG-OD1 3.34Å; N75-L86 HydrophobicContact CB-CB 4.03Å; N75-L86 HydrophobicContact CB-CD2 4.44Å
76G91.7Very high90.7Very high0 Ų022.2 Ų22.20%010%0.099CC..  trans-71.6144.2-172.600000114.4Q35 Y36 L71 L74 C84Q35-G76 WeakPolarHBondContact CA-O 3.37Å; Y36-G76 PolarHBondContact N-O 3.39Å; L71-G76 WeakPolarHBondContact O-CA 3.45Å; L71-G76 PolarHBondContact O-N 2.99Å; L74-G76 PolarHBondContact O-N 2.89Å; G76-C84 CarbonylContact C-O 3.15Å; G76-C84 WeakPolarHBondContact CA-O 3.49Å
77T94.4Very high90.4Very high5 Ų521.3 Ų21.33%0.0319%0.093CC..EExtended strand (participates in β ladder)trans-113.6142.116664.90000110.8Q31 Y34 Q35 C84Q31-T77 CarbonylContact O-C 3.47Å; Q31-T77 WeakPolarHBondContact O-CB 3.47Å; Y34-T77 WeakPolarHBondContact O-CA 3.47Å; Q35-T77 HydrophobicContact CB-CG2 4.32Å; Q35-T77 HydrophobicContact CG-CG2 3.98Å; T77-C84 PolarHBondContact N-O 3.42Å; T77-C84 PolarHBondContact O-N 2.99Å; T77-C84 WeakPolarHBondContact OG1-CB 3.25Å
78V94.5Very high89.8Confident3 Ų321.7 Ų21.72%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-121120.5-170.3-179.40000108.3Q31 W33 Y34 Y36 L71 R83 Y194Q31-V78 CarbonylContact C-O 3.59Å; Q31-V78 CarbonylContact O-C 3.45Å; Q31-V78 PolarHBondContact O-N 3.2Å; Q31-V78 VanDerWaalsContact O-O 3.09Å; W33-V78 WeakPolarHBondContact CA-O 3.41Å; W33-V78 VanDerWaalsContact CB-O 3.29Å; W33-V78 WeakPolarHBondContact CB-O 3.42Å; W33-V78 PolarHBondContact N-O 2.88Å; Y34-V78 PolarHBondContact N-O 3.31Å; Y34-V78 VanDerWaalsContact N-O 3.17Å; Y34-V78 PolarHBondContact O-N 3.44Å; Y36-V78 HydrophobicContact CD2-CG2 4.24Å; Y36-V78 HydrophobicContact CE2-CG2 3.74Å; L71-V78 HydrophobicContact CD1-CG2 4.29Å; V78-R83 VanDerWaalsContact CG1-NH1 3.27Å; V78-Y194 HydrophobicContact CG1-CE2 4.42Å; V78-Y194 VanDerWaalsContact CG1-OH 3.22Å; V78-Y194 WeakPolarHBondContact CG1-OH 3.48Å
79G93.8Very high88.8Confident0 Ų023 Ų230%011%0.106CC..  trans-102.9-162.1167.100000112.6T30 Q31 W82 R83T30-G79 WeakPolarHBondContact O-CA 3.04Å; Q31-G79 PolarHBondContact O-N 2.9Å; G79-W82 PolarHBondContact N-O 3.24Å; G79-R83 PolarHBondContact O-NH1 3.5Å
80L92.6Very high87.5Confident1 Ų125.6 Ų25.61%0.00513%0.128CC..SBendtrans-80.5-42.3164.2-67.2-176.6000111.4I28 W33 Q117 Q143 P147 Y194I28-L80 HydrophobicContact CB-CD1 4.33Å; I28-L80 HydrophobicContact CG1-CD1 4.06Å; I28-L80 HydrophobicContact CG2-CD1 4.24Å; W33-L80 HydrophobicContact CD2-CD2 4.09Å; W33-L80 HydrophobicContact CD2-CG 4.12Å; W33-L80 HydrophobicContact CE3-CD2 3.99Å; W33-L80 HydrophobicContact CE3-CG 4.46Å; W33-L80 HydrophobicContact CH2-CD1 3.9Å; W33-L80 HydrophobicContact CH2-CD2 4.07Å; W33-L80 HydrophobicContact CH2-CG 4.14Å; W33-L80 HydrophobicContact CZ2-CD1 3.54Å; W33-L80 HydrophobicContact CZ2-CD2 4.12Å; W33-L80 HydrophobicContact CZ2-CG 3.71Å; W33-L80 HydrophobicContact CZ3-CD2 3.99Å; W33-L80 HydrophobicContact CZ3-CG 4.48Å; L80-Q117 PolarHBondContact O-NE2 3.41Å; L80-Q143 HydrophobicContact CD2-CG 4.08Å; L80-P147 HydrophobicContact CD1-CG 3.98Å; L80-Y194 HydrophobicContact CD2-CD2 4.34Å
81W91.1Very high85.8Confident62 Ų6229.2 Ų29.224%0.23516%0.158CC..SBendtrans-104.1-10.7-173.6-63.293.5000114.8N111 F112 L114 F144 L148W81-N111 WeakPolarHBondContact O-CA 3.28Å; W81-F112 VanDerWaalsContact O-CD2 3.22Å; W81-F112 WeakPolarHBondContact O-CD2 3.4Å; W81-F112 PolarHBondContact O-N 3.26Å; W81-L114 HydrophobicContact CH2-CD2 3.74Å; W81-L114 HydrophobicContact CZ3-CD2 3.81Å; W81-F144 AromaticContact CD2-CE2 3.75Å; W81-F144 HydrophobicContact CD2-CE2 3.75Å; W81-F144 AromaticContact CE2-CE2 3.4Å; W81-F144 VanDerWaalsContact CE2-CE2 3.4Å; W81-F144 AromaticContact CE3-CE2 3.74Å; W81-F144 HydrophobicContact CE3-CE2 3.74Å; W81-F144 HydrophobicContact CE3-CZ 4.32Å; W81-F144 HydrophobicContact CH2-CE1 4.4Å; W81-F144 AromaticContact CH2-CE2 3.24Å; W81-F144 HydrophobicContact CH2-CE2 3.24Å; W81-F144 AromaticContact CH2-CZ 3.11Å; W81-F144 HydrophobicContact CH2-CZ 3.11Å; W81-F144 HydrophobicContact CZ2-CD2 4.28Å; W81-F144 AromaticContact CZ2-CE2 3.15Å; W81-F144 HydrophobicContact CZ2-CE2 3.15Å; W81-F144 AromaticContact CZ2-CZ 3.38Å; W81-F144 HydrophobicContact CZ2-CZ 3.38Å; W81-F144 AromaticContact CZ3-CE2 3.49Å; W81-F144 HydrophobicContact CZ3-CE2 3.49Å; W81-F144 VanDerWaalsContact CZ3-CE2 3.49Å; W81-F144 AromaticContact CZ3-CZ 3.59Å; W81-F144 HydrophobicContact CZ3-CZ 3.59Å; W81-L148 HydrophobicContact CZ2-CD1 4.44Å
82W91.3Very high84.2Confident90 Ų9033.3 Ų33.334%0.34118%0.177SC..EExtended strand (participates in β ladder)trans-130.3142.7-167.9-50.695.1000110.3Q31 G79 C109 R110 N111Q31-W82 HydrophobicContact CB-CB 4.01Å; G79-W82 PolarHBondContact N-O 3.24Å; W82-C109 HydrophobicContact CE3-CB 4.28Å; W82-R110 WeakPolarHBondContact CA-O 3.46Å; W82-N111 HydrophobicContact CD2-CB 4.35Å; W82-N111 HydrophobicContact CE3-CB 3.66Å; W82-N111 HydrophobicContact CH2-CB 4.02Å; W82-N111 HydrophobicContact CZ3-CB 3.51Å
83R93.6Very high82.9Confident6 Ų634.5 Ų34.52%0.02318%0.181CC..EExtended strand (participates in β ladder)trans-120.1130.4160.3-63.5-64178-102.38.6106.2F57 L71 V78 G79 C109 R110 F112F57-R83 HydrophobicContact CE2-CB 3.98Å; F57-R83 HydrophobicContact CZ-CB 3.88Å; L71-R83 HydrophobicContact CD1-CB 4.42Å; L71-R83 HydrophobicContact CD1-CG 4.25Å; L71-R83 HydrophobicContact CD2-CB 4.23Å; V78-R83 VanDerWaalsContact CG1-NH1 3.27Å; G79-R83 PolarHBondContact O-NH1 3.5Å; R83-C109 CarbonylContact O-C 3.46Å; R83-C109 WeakPolarHBondContact O-CA 3.03Å; R83-R110 PolarHBondContact N-O 2.97Å; R83-R110 PolarHBondContact O-N 3.37Å; R83-F112 HydrophobicContact CB-CZ 4.37Å; R83-F112 HydrophobicContact CG-CE1 3.81Å; R83-F112 HydrophobicContact CG-CE2 3.78Å; R83-F112 HydrophobicContact CG-CZ 3.14Å
84C93.5Very high81.3Confident0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-129.9150.8179.1-45.10000110.2L71 G76 T77 L107 E108 C109L71-C84 WeakPolarHBondContact CD2-O 3.42Å; G76-C84 CarbonylContact C-O 3.15Å; G76-C84 WeakPolarHBondContact CA-O 3.49Å; T77-C84 PolarHBondContact N-O 3.42Å; T77-C84 PolarHBondContact O-N 2.99Å; T77-C84 WeakPolarHBondContact OG1-CB 3.25Å; C84-L107 HydrophobicContact CB-CD1 3.65Å; C84-L107 HydrophobicContact CB-CD2 4.26Å; C84-L107 HydrophobicContact CB-CG 3.8Å; C84-E108 CarbonylContact C-O 3.51Å; C84-E108 WeakPolarHBondContact CA-O 3.17Å; C84-E108 WeakPolarHBondContact CB-O 3.4Å; C84-C109 HydrophobicContact CB-CB 3.98Å; C84-C109 WeakPolarHBondContact CB-SG 3.1Å; C84-C109 WeakPolarHBondContact SG-CB 3.03Å; C84-C109 CovalentContact SG-SG 2.03Å; C84-C109 PolarHBondContact SG-SG 3.49Å
85V91.9Very high79.7Confident0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-129.4150.5178.8-67.90000109.2Y54 F57 T70 L71 L74 V87 E108Y54-V85 HydrophobicContact CD2-CG2 4.25Å; F57-V85 HydrophobicContact CD1-CG2 4.13Å; F57-V85 HydrophobicContact CE1-CG1 4.42Å; F57-V85 HydrophobicContact CE1-CG2 4.03Å; F57-V85 HydrophobicContact CZ-CG1 4.47Å; T70-V85 HydrophobicContact CG2-CG1 4.05Å; L71-V85 HydrophobicContact CD2-CG1 4.05Å; L74-V85 HydrophobicContact CB-CB 3.88Å; L74-V85 HydrophobicContact CB-CG1 4.1Å; L74-V85 HydrophobicContact CD1-CB 4.47Å; V85-V87 HydrophobicContact CG2-CG1 4.12Å; V85-E108 PolarHBondContact N-O 2.91Å; V85-E108 PolarHBondContact O-N 3.41Å
86L87.4Confident77.8Confident51 Ų5149.2 Ų49.227%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-97.8115.4-179.7-16872.2000109.1L74 N75 M105 L106L74-L86 PolarHBondContact O-N 3.28Å; N75-L86 HydrophobicContact CB-CB 4.03Å; N75-L86 HydrophobicContact CB-CD2 4.44Å; L86-M105 HydrophobicContact CD1-CB 3.62Å; L86-M105 HydrophobicContact CD2-CB 3.85Å; L86-M105 HydrophobicContact CD2-CG 4.04Å; L86-M105 HydrophobicContact CG-CB 3.59Å; L86-M105 HydrophobicContact CG-CG 4.13Å; L86-L106 WeakPolarHBondContact CA-O 3.42Å
87V82.2Confident75.7Confident6 Ų655.6 Ų55.64%0.03630%0.298CS..EExtended strand (participates in β ladder)trans-128.8149.9-172.9-72.50000112.8Y54 L74 V85 W93 L106 E108Y54-V87 HydrophobicContact CD2-CG1 3.76Å; Y54-V87 HydrophobicContact CE2-CG1 4.28Å; Y54-V87 HydrophobicContact CE2-CG2 4.26Å; Y54-V87 HydrophobicContact CG-CG1 4.37Å; L74-V87 HydrophobicContact CD1-CG1 4.15Å; V85-V87 HydrophobicContact CG2-CG1 4.12Å; V87-W93 HydrophobicContact CB-CH2 4.43Å; V87-W93 HydrophobicContact CB-CZ2 3.77Å; V87-W93 HydrophobicContact CG1-CH2 4.14Å; V87-W93 HydrophobicContact CG1-CZ2 3.88Å; V87-L106 PolarHBondContact N-O 2.88Å; V87-L106 PolarHBondContact O-N 2.91Å; V87-E108 HydrophobicContact CG2-CB 4.11Å; V87-E108 HydrophobicContact CG2-CG 3.68Å
88P76.1Confident73.3Confident20 Ų2058.8 Ų58.813%0.1332%0.324CS..  trans-68.4155.3170.928.6-32.7000110.8W93 M105P88-W93 HydrophobicContact CG-CD2 4.01Å; P88-W93 HydrophobicContact CG-CE3 4.39Å; P88-W93 HydrophobicContact CG-CG 4.49Å; P88-W93 HydrophobicContact CG-CH2 4.39Å; P88-W93 HydrophobicContact CG-CZ2 4Å; P88-W93 PolarHBondContact O-NE1 2.86Å; P88-M105 HydrophobicContact CB-SD 4.36Å
89P69.4Low70.9Confident30 Ų3069.9 Ų69.920%0.19537%0.366CS..  trans-61.6145.8177.2-17.228000111.9A91 H92 W93 K104 L106P89-A91 PolarHBondContact O-N 3.4Å; P89-H92 WeakPolarHBondContact O-CB 3.44Å; P89-H92 PolarHBondContact O-N 3.43Å; P89-W93 VanDerWaalsContact O-CD1 3.26Å; P89-K104 WeakPolarHBondContact CD-O 3.38Å; P89-K104 WeakPolarHBondContact CG-O 3.47Å; P89-L106 HydrophobicContact CB-CD1 4.13Å; P89-L106 HydrophobicContact CG-CD1 4.21Å; P89-L106 HydrophobicContact CG-CG 4.39Å
90S62.2Low68.5Low106 Ų10678.4 Ų78.474%0.74140%0.404SS*.G310 helixtrans-46-37.1-176.355.30000114.8H92 W93S90-H92 VanDerWaalsContact C-N 3.28Å; S90-H92 PolarHBondContact O-N 3Å; S90-W93 VanDerWaalsContact CA-CD1 3.42Å
91A55.2Low66.4Low77 Ų7784 Ų8464%0.63644%0.439SS*.G310 helixtrans-66.9-22.7177.400000114.5P89P89-A91 PolarHBondContact O-N 3.4Å
92H58.1Low64.5Low90 Ų9086.3 Ų86.342%0.41746%0.457SS..G310 helixtrans-94.5-14.2-175.4-70.2-73.1000114.2P89 S90 S94 R95P89-H92 WeakPolarHBondContact O-CB 3.44Å; P89-H92 PolarHBondContact O-N 3.43Å; S90-H92 VanDerWaalsContact C-N 3.28Å; S90-H92 PolarHBondContact O-N 3Å; H92-S94 PolarHBondContact O-N 3.47Å; H92-S94 VanDerWaalsContact O-N 3.08Å; H92-R95 PolarHBondContact O-N 2.9Å
93W60.8Low63Low26 Ų2684.7 Ų84.710%0.09846%0.458CS..THydrogen-bonded Turntrans-62.6-16.5176.5-67.781.9000113.7V47 L50 R51 Y54 V87 P88 P89 S90V47-W93 HydrophobicContact CG1-CE3 4.09Å; V47-W93 VanDerWaalsContact CG1-O 3.26Å; V47-W93 WeakPolarHBondContact CG1-O 3.38Å; L50-W93 HydrophobicContact CB-CZ3 3.87Å; R51-W93 VanDerWaalsContact CA-CZ3 3.5Å; R51-W93 HydrophobicContact CB-CE3 3.71Å; R51-W93 HydrophobicContact CB-CZ3 3.77Å; R51-W93 HydrophobicContact CG-CE3 4.24Å; Y54-W93 HydrophobicContact CG-CZ2 4.42Å; V87-W93 HydrophobicContact CB-CH2 4.43Å; V87-W93 HydrophobicContact CB-CZ2 3.77Å; V87-W93 HydrophobicContact CG1-CH2 4.14Å; V87-W93 HydrophobicContact CG1-CZ2 3.88Å; P88-W93 HydrophobicContact CG-CD2 4.01Å; P88-W93 HydrophobicContact CG-CE3 4.39Å; P88-W93 HydrophobicContact CG-CG 4.49Å; P88-W93 HydrophobicContact CG-CH2 4.39Å; P88-W93 HydrophobicContact CG-CZ2 4Å; P88-W93 PolarHBondContact O-NE1 2.86Å; P89-W93 VanDerWaalsContact O-CD1 3.26Å; S90-W93 VanDerWaalsContact CA-CD1 3.42Å
94S53.5Low61.9Low99 Ų9992.4 Ų92.469%0.69249%0.492SS*.THydrogen-bonded Turntrans-104.9-3.2-175.5-45.30000113.8H92H92-S94 PolarHBondContact O-N 3.47Å; H92-S94 VanDerWaalsContact O-N 3.08Å
95R51.7Low61.1Low191 Ų19195.4 Ų95.472%0.72151%0.506SS*.SBendtrans-105.5128.4-179.7-101.8-178.5179166.21.2110H92H92-R95 PolarHBondContact O-N 2.9Å
96E47.7Very low60.8Low170 Ų17098.9 Ų98.979%0.79452%0.524SS*.  trans-51.1151.3164.6-78.5-176.3164.800110.7A98E96-A98 PolarHBondContact O-N 2.91Å
97P48.9Very low60.8Low135 Ų13599.8 Ų99.888%0.87753%0.529SS*.  trans-74.356.3-175.433.2-35.7000111.2R99P97-R99 PolarHBondContact O-N 3.33Å
98A43.2Very low61.3Low71 Ų71103 Ų10359%0.58754%0.544SS*.  trans-86.999.5173.400000109.1E96 F100E96-A98 PolarHBondContact O-N 2.91Å; A98-F100 PolarHBondContact O-N 2.93Å
99R44.7Very low62.1Low237 Ų237104.1 Ų104.189%0.89455%0.552SS**SBendtrans67.339.5140.4-157.7-174.4-70.5-174.8-3.3117.5P97P97-R99 PolarHBondContact O-N 3.33Å
100F44.3Very low63.1Low179 Ų179105 Ų10579%0.78555%0.551SS**  trans-126.5139.6166.9-82.6-87.3000112.1A98 D102A98-F100 PolarHBondContact O-N 2.93Å; F100-D102 PolarHBondContact O-N 3.43Å
101P47.3Very low64.5Low117 Ų117104.3 Ų104.376%0.7654%0.539SS*.SBendtrans-65.6132.7176.428.6-31000109.2
102D51.5Low66Low111 Ų111101.2 Ų101.259%0.59451%0.511SS*.  trans1598.6176.8-72.6-43.6000116R42 F100 K104R42-D102 IonicContact CZ-OD1 2.77Å; R42-D102 IonicContact NE-OD1 3.92Å; R42-D102 IonicContact NH2-OD1 3.76Å; R42-D102 PolarHBondContact NH2-OD1 3.49Å; R42-D102 IonicContact NH2-OD2 3.68Å; F100-D102 PolarHBondContact O-N 3.43Å; D102-K104 PolarHBondContact O-N 3.45Å
103P60Low67.5Low56 Ų56100.5 Ų100.536%0.36451%0.514SS..  trans-55.4128.9168.424.2-31.7000108.3M105P103-M105 VanDerWaalsContact C-N 3.34Å; P103-M105 PolarHBondContact O-N 3.33Å
104K69.8Low68.8Low169 Ų169104.4 Ų104.474%0.73554%0.536SS*.  trans-58.398.7178.9-174.6-179.5-179.4-177.80108.5P89 D102P89-K104 WeakPolarHBondContact CD-O 3.38Å; P89-K104 WeakPolarHBondContact CG-O 3.47Å; D102-K104 PolarHBondContact O-N 3.45Å
105M78.1Confident70.5Confident63 Ų63106.5 Ų106.531%0.3154%0.538SS..  trans-62.7138.7177.3-67.6-68.1-166.500109.6V41 L86 P88 P103V41-M105 HydrophobicContact CB-CE 4.15Å; V41-M105 HydrophobicContact CG1-CE 3.7Å; L86-M105 HydrophobicContact CD1-CB 3.62Å; L86-M105 HydrophobicContact CD2-CB 3.85Å; L86-M105 HydrophobicContact CD2-CG 4.04Å; L86-M105 HydrophobicContact CG-CB 3.59Å; L86-M105 HydrophobicContact CG-CG 4.13Å; P88-M105 HydrophobicContact CB-SD 4.36Å; P103-M105 VanDerWaalsContact C-N 3.34Å; P103-M105 PolarHBondContact O-N 3.33Å
106L84.8Confident72.4Confident72 Ų7299 Ų9938%0.37751%0.511SS..EExtended strand (participates in β ladder)trans-109.3138.9179.6-62.2177.5000109.4L86 V87 P89L86-L106 WeakPolarHBondContact CA-O 3.42Å; V87-L106 PolarHBondContact N-O 2.88Å; V87-L106 PolarHBondContact O-N 2.91Å; P89-L106 HydrophobicContact CB-CD1 4.13Å; P89-L106 HydrophobicContact CG-CD1 4.21Å; P89-L106 HydrophobicContact CG-CG 4.39Å
107L88.2Confident74.4Confident71 Ų7191 Ų9137%0.37247%0.474SS..EExtended strand (participates in β ladder)trans-89.9110.7174.7-171.772.7000108.2Q31 C84Q31-L107 HydrophobicContact CG-CD2 4.27Å; C84-L107 HydrophobicContact CB-CD1 3.65Å; C84-L107 HydrophobicContact CB-CD2 4.26Å; C84-L107 HydrophobicContact CB-CG 3.8Å
108E91Very high76.4Confident72 Ų7288 Ų8834%0.33645%0.448SS..EExtended strand (participates in β ladder)trans-104.2132.5176.7-76.3-65.4167.500109.7Y54 C84 V85 V87Y54-E108 HydrophobicContact CE2-CB 4.04Å; Y54-E108 HydrophobicContact CE2-CG 4.19Å; C84-E108 CarbonylContact C-O 3.51Å; C84-E108 WeakPolarHBondContact CA-O 3.17Å; C84-E108 WeakPolarHBondContact CB-O 3.4Å; V85-E108 PolarHBondContact N-O 2.91Å; V85-E108 PolarHBondContact O-N 3.41Å; V87-E108 HydrophobicContact CG2-CB 4.11Å; V87-E108 HydrophobicContact CG2-CG 3.68Å
109C92.6Very high78.7Confident44 Ų4486.7 Ų86.730%0.29743%0.432SS..EExtended strand (participates in β ladder)trans-124.1135.7-170.9-65.20000112.1W82 R83 C84W82-C109 HydrophobicContact CE3-CB 4.28Å; R83-C109 CarbonylContact O-C 3.46Å; R83-C109 WeakPolarHBondContact O-CA 3.03Å; C84-C109 HydrophobicContact CB-CB 3.98Å; C84-C109 WeakPolarHBondContact CB-SG 3.1Å; C84-C109 WeakPolarHBondContact SG-CB 3.03Å; C84-C109 CovalentContact SG-SG 2.03Å; C84-C109 PolarHBondContact SG-SG 3.49Å
110R91.6Very high81Confident48 Ų4877.2 Ų77.218%0.18140%0.401CS..EExtended strand (participates in β ladder)trans-106132166.1-174.4171.2174.4175.52.7109F57 G60 W82 R83F57-R110 HydrophobicContact CE1-CB 3.93Å; F57-R110 HydrophobicContact CZ-CB 3.79Å; F57-R110 WeakPolarHBondContact O-CD 3.22Å; F57-R110 PolarHBondContact O-NH1 2.9Å; G60-R110 PolarHBondContact O-NH1 3.49Å; G60-R110 PolarHBondContact O-NH2 3.45Å; W82-R110 WeakPolarHBondContact CA-O 3.46Å; R83-R110 PolarHBondContact N-O 2.97Å; R83-R110 PolarHBondContact O-N 3.37Å
111N90.7Very high83.3Confident93 Ų9368.9 Ų68.950%0.49737%0.365SS..EExtended strand (participates in β ladder)trans-88.3154.2172.155.410.2000111W81 W82W81-N111 WeakPolarHBondContact O-CA 3.28Å; W82-N111 HydrophobicContact CD2-CB 4.35Å; W82-N111 HydrophobicContact CE3-CB 3.66Å; W82-N111 HydrophobicContact CH2-CB 4.02Å; W82-N111 HydrophobicContact CZ3-CB 3.51Å
112F86.5Confident85.5Confident12 Ų1265.3 Ų65.35%0.05334%0.336CS..PPolyproline II helixtrans-96137.5167.6-50.2-69.4000110.8F62 W81 R83 E116 Q117F62-F112 HydrophobicContact CD2-CD1 4.24Å; F62-F112 HydrophobicContact CD2-CE1 4.4Å; F62-F112 HydrophobicContact CE1-CD1 4.31Å; F62-F112 HydrophobicContact CE1-CE1 4.41Å; F62-F112 AromaticContact CE2-CD1 3.27Å; F62-F112 HydrophobicContact CE2-CD1 3.27Å; F62-F112 AromaticContact CE2-CE1 3.16Å; F62-F112 HydrophobicContact CE2-CE1 3.16Å; F62-F112 HydrophobicContact CE2-CZ 4.44Å; F62-F112 AromaticContact CZ-CD1 3.28Å; F62-F112 HydrophobicContact CZ-CD1 3.28Å; F62-F112 AromaticContact CZ-CE1 3.14Å; F62-F112 HydrophobicContact CZ-CE1 3.14Å; F62-F112 HydrophobicContact CZ-CG 4.49Å; F62-F112 HydrophobicContact CZ-CZ 4.23Å; W81-F112 VanDerWaalsContact O-CD2 3.22Å; W81-F112 WeakPolarHBondContact O-CD2 3.4Å; W81-F112 PolarHBondContact O-N 3.26Å; R83-F112 HydrophobicContact CB-CZ 4.37Å; R83-F112 HydrophobicContact CG-CE1 3.81Å; R83-F112 HydrophobicContact CG-CE2 3.78Å; R83-F112 HydrophobicContact CG-CZ 3.14Å; F112-E116 HydrophobicContact CB-CB 4.35Å; F112-Q117 HydrophobicContact CB-CG 4.12Å
113T89.7Confident87.4Confident75 Ų7566.2 Ų66.246%0.4634%0.335SS..PPolyproline II helixtrans-70.5161.9162.466.40000110.6L115 E116 Q117T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.37Å; T113-E116 WeakPolarHBondContact CB-OE2 3.35Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.42Å; T113-E116 PolarHBondContact N-OE2 2.87Å; T113-E116 PolarHBondContact O-N 3.06Å; T113-E116 VanDerWaalsContact OG1-CD 3.25Å; T113-E116 VanDerWaalsContact OG1-CG 3.24Å; T113-E116 WeakPolarHBondContact OG1-CG 3.38Å; T113-E116 PolarHBondContact OG1-N 3.42Å; T113-E116 PolarHBondContact OG1-OE2 2.93Å; T113-Q117 WeakPolarHBondContact O-CG 3.23Å; T113-Q117 PolarHBondContact O-N 3.02Å; T113-Q117 VanDerWaalsContact O-N 3.14Å
114L88.4Confident88.9Confident107 Ų10768.9 Ų68.956%0.5634%0.343SS*.Hα-helixtrans-59.7-39.1175.2-74.3173.8000112.1W81 E116 Q117 F118 F144W81-L114 HydrophobicContact CH2-CD2 3.74Å; W81-L114 HydrophobicContact CZ3-CD2 3.81Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.85Å; L114-Q117 WeakPolarHBondContact O-CB 3.37Å; L114-Q117 PolarHBondContact O-N 2.92Å; L114-F118 WeakPolarHBondContact O-CD2 3.48Å; L114-F118 PolarHBondContact O-N 3.28Å; L114-F144 HydrophobicContact CD2-CE1 4.21Å; L114-F144 HydrophobicContact CD2-CZ 3.72Å
115L90.6Very high89.8Confident143 Ų14361.8 Ų61.875%0.74931%0.314SS*.Hα-helixtrans-62.4-43.2179.3-174.864.8000111.1T113 Q117 F118 T119T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.37Å; L115-Q117 VanDerWaalsContact C-N 3.3Å; L115-Q117 PolarHBondContact O-N 3.49Å; L115-F118 PolarHBondContact O-N 3.47Å; L115-F118 VanDerWaalsContact O-N 3.12Å; L115-T119 PolarHBondContact O-N 3.26Å
116E90.3Very high90.1Very high34 Ų3459.6 Ų59.616%0.15931%0.308CS..Hα-helixtrans-62.6-35177.3-71.8165.3147.700112.3F62 F112 T113 L114 F118 T119F62-E116 HydrophobicContact CB-CG 4.09Å; F62-E116 VanDerWaalsContact CB-OE1 3.3Å; F62-E116 WeakPolarHBondContact CB-OE1 3.49Å; F62-E116 HydrophobicContact CD1-CB 3.7Å; F62-E116 HydrophobicContact CD1-CG 3.57Å; F62-E116 HydrophobicContact CD2-CG 4.39Å; F62-E116 HydrophobicContact CE1-CB 3.76Å; F62-E116 HydrophobicContact CE1-CG 4.16Å; F62-E116 HydrophobicContact CG-CB 4.2Å; F62-E116 HydrophobicContact CG-CG 3.7Å; F62-E116 WeakPolarHBondContact CG-OE1 3.26Å; F62-E116 HydrophobicContact CZ-CB 4.36Å; F112-E116 HydrophobicContact CB-CB 4.35Å; T113-E116 WeakPolarHBondContact CB-OE2 3.35Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.42Å; T113-E116 PolarHBondContact N-OE2 2.87Å; T113-E116 PolarHBondContact O-N 3.06Å; T113-E116 VanDerWaalsContact OG1-CD 3.25Å; T113-E116 VanDerWaalsContact OG1-CG 3.24Å; T113-E116 WeakPolarHBondContact OG1-CG 3.38Å; T113-E116 PolarHBondContact OG1-N 3.42Å; T113-E116 PolarHBondContact OG1-OE2 2.93Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.85Å; E116-F118 PolarHBondContact O-N 3.43Å; E116-T119 WeakPolarHBondContact O-CB 3.39Å; E116-T119 WeakPolarHBondContact O-CG2 3.45Å; E116-T119 PolarHBondContact O-N 3.47Å; E116-T119 PolarHBondContact O-OG1 3.19Å
117Q89.9Confident90.4Very high2 Ų258.6 Ų58.61%0.00930%0.303CS..Hα-helixtrans-62.7-27.6175.4-69.4-72.66.400113.3L80 F112 T113 L114 L115 W140 F144L80-Q117 PolarHBondContact O-NE2 3.41Å; F112-Q117 HydrophobicContact CB-CG 4.12Å; T113-Q117 WeakPolarHBondContact O-CG 3.23Å; T113-Q117 PolarHBondContact O-N 3.02Å; T113-Q117 VanDerWaalsContact O-N 3.14Å; L114-Q117 WeakPolarHBondContact O-CB 3.37Å; L114-Q117 PolarHBondContact O-N 2.92Å; L115-Q117 VanDerWaalsContact C-N 3.3Å; L115-Q117 PolarHBondContact O-N 3.49Å; Q117-W140 PolarHBondContact O-NE1 3.48Å; Q117-F144 HydrophobicContact CB-CD2 4.5Å; Q117-F144 HydrophobicContact CB-CE2 4.4Å; Q117-F144 HydrophobicContact CB-CZ 4.43Å; Q117-F144 HydrophobicContact CG-CD2 4.09Å; Q117-F144 HydrophobicContact CG-CE2 3.8Å; Q117-F144 HydrophobicContact CG-CZ 4.16Å
118F91.2Very high90.3Very high73 Ų7360.5 Ų60.532%0.3231%0.309SS..THydrogen-bonded Turntrans-994.2180-70.2-77.4000114L114 L115 E116 R141 F144 L145L114-F118 WeakPolarHBondContact O-CD2 3.48Å; L114-F118 PolarHBondContact O-N 3.28Å; L115-F118 PolarHBondContact O-N 3.47Å; L115-F118 VanDerWaalsContact O-N 3.12Å; E116-F118 PolarHBondContact O-N 3.43Å; F118-R141 HydrophobicContact CD1-CB 4.49Å; F118-R141 HydrophobicContact CD1-CG 3.81Å; F118-R141 HydrophobicContact CE1-CB 4.42Å; F118-R141 HydrophobicContact CE1-CG 4.22Å; F118-R141 PolarHBondContact O-NE 2.98Å; F118-R141 PolarHBondContact O-NH2 3.43Å; F118-F144 HydrophobicContact CE2-CD1 4.4Å; F118-F144 HydrophobicContact CE2-CE1 4.09Å; F118-F144 HydrophobicContact CZ-CD1 4.05Å; F118-F144 HydrophobicContact CZ-CE1 4.08Å; F118-L145 HydrophobicContact CE1-CD1 3.92Å; F118-L145 HydrophobicContact CE1-CD2 4.22Å; F118-L145 HydrophobicContact CE1-CG 4.04Å; F118-L145 HydrophobicContact CZ-CD1 4.31Å; F118-L145 HydrophobicContact CZ-CD2 3.74Å; F118-L145 HydrophobicContact CZ-CG 4Å
119T91Very high90.4Very high42 Ų4264.3 Ų64.326%0.25833%0.332SS..PPolyproline II helixtrans-56.8134.4175.552.10000111.1L115 E116L115-T119 PolarHBondContact O-N 3.26Å; E116-T119 WeakPolarHBondContact O-CB 3.39Å; E116-T119 WeakPolarHBondContact O-CG2 3.45Å; E116-T119 PolarHBondContact O-N 3.47Å; E116-T119 PolarHBondContact O-OG1 3.19Å
120P92.6Very high90.3Very high39 Ų3963.4 Ų63.425%0.25333%0.326SS..PPolyproline II helixtrans-64148.7176.128.7-34.3000110.2Y122 E132P120-Y122 HydrophobicContact CG-CE1 4.39Å; P120-Y122 HydrophobicContact CG-CE2 4.38Å; P120-Y122 WeakPolarHBondContact CG-OH 3.21Å; P120-E132 HydrophobicContact CB-CG 3.98Å
121K93.8Very high90.4Very high3 Ų362.6 Ų62.61%0.01333%0.332CS..PPolyproline II helixtrans-100.6138.2173.6-57-52-172.7-1730108.6Y67 D133 R136 T137 W140Y67-K121 PolarHBondContact OH-NZ 3.22Å; K121-D133 PolarHBondContact O-N 3.32Å; K121-R136 HydrophobicContact CB-CB 4.06Å; K121-R136 HydrophobicContact CB-CG 4Å; K121-R136 HydrophobicContact CG-CG 4.17Å; K121-T137 PolarHBondContact N-OG1 3.34Å; K121-T137 PolarHBondContact O-OG1 3.36Å; K121-W140 HydrophobicContact CG-CB 4.43Å
122Y93.1Very high90.5Very high42 Ų4261.7 Ų61.717%0.16533%0.325CS..BIsolated β-bridgetrans-106.9155.5-172.1-61.6-75.4000112.4P120 E124 N127 H128 G131 R136P120-Y122 HydrophobicContact CG-CE1 4.39Å; P120-Y122 HydrophobicContact CG-CE2 4.38Å; P120-Y122 WeakPolarHBondContact CG-OH 3.21Å; Y122-E124 WeakPolarHBondContact CB-O 3.41Å; Y122-E124 PolarHBondContact O-N 3.38Å; Y122-E124 VanDerWaalsContact O-N 3.17Å; Y122-N127 WeakPolarHBondContact CB-O 3.3Å; Y122-H128 HydrophobicContact CE1-CB 4.37Å; Y122-H128 HydrophobicContact CE2-CB 4.44Å; Y122-H128 AromaticContact CE2-CD2 3.49Å; Y122-H128 VanDerWaalsContact CE2-CD2 3.49Å; Y122-H128 WeakPolarHBondContact CE2-CD2 3.45Å; Y122-H128 AromaticContact CE2-CE1 4Å; Y122-H128 AromaticContact CE2-CG 3.78Å; Y122-H128 AromaticContact CE2-NE2 3.61Å; Y122-H128 AromaticContact CZ-CD2 3.37Å; Y122-H128 AromaticContact CZ-CG 3.81Å; Y122-H128 AromaticContact CZ-NE2 3.92Å; Y122-H128 PolarHBondContact OH-CD2 3.38Å; Y122-G131 WeakPolarHBondContact CA-O 3.47Å; Y122-R136 PolarHBondContact O-NH1 3.5Å; Y122-R136 PolarHBondContact O-NH2 2.9Å
123K92.1Very high90.9Very high131 Ų13162.7 Ų62.757%0.5733%0.331SS*.SBendtrans-54.7-39.9-179.4-69.1-175.2-171.9167.80112.5S130 G131 D133 V204K123-S130 WeakPolarHBondContact CD-O 3.45Å; K123-S130 PolarHBondContact N-OG 3Å; K123-G131 PolarHBondContact N-O 2.86Å; K123-D133 HydrophobicContact CG-CB 4.49Å; K123-V204 WeakPolarHBondContact O-CG1 3.14Å
124E90.9Very high91.1Very high112 Ų11263.5 Ų63.552%0.52333%0.331SS..SBendtrans-105.3121.4167.2-70.8172.7-167.500108.9Y122 G126 N127 S130Y122-E124 WeakPolarHBondContact CB-O 3.41Å; Y122-E124 PolarHBondContact O-N 3.38Å; Y122-E124 VanDerWaalsContact O-N 3.17Å; E124-G126 PolarHBondContact O-N 3.26Å; E124-N127 HydrophobicContact CB-CB 3.84Å; E124-N127 PolarHBondContact O-N 3.34Å; E124-N127 PolarHBondContact OE2-ND2 2.83Å; E124-S130 PolarHBondContact N-OG 2.03Å
125P89.8Confident91.5Very high20 Ų2063.4 Ų63.413%0.1333%0.33CS..THydrogen-bonded Turntrans-50.4127.6179.7-30.136.1000111.5E64 K65 N127 V204E64-P125 HydrophobicContact CG-CB 4.19Å; K65-P125 HydrophobicContact CB-CB 4.22Å; P125-N127 PolarHBondContact O-N 3.09Å; P125-N127 VanDerWaalsContact O-N 3.16Å; P125-V204 VanDerWaalsContact CD-CG1 3.4Å; P125-V204 HydrophobicContact CG-CG1 3.86Å
126G84.3Confident91.7Very high17 Ų1756.8 Ų56.818%0.17530%0.296CS..THydrogen-bonded Turntrans72.7-10.9-178.200000117D63 E124 H128D63-G126 WeakPolarHBondContact OD1-CA 3.44Å; D63-G126 WeakPolarHBondContact OD2-CA 3.41Å; E124-G126 PolarHBondContact O-N 3.26Å; G126-H128 PolarHBondContact O-N 2.95Å; G126-H128 PolarHBondContact O-ND1 2.96Å; G126-H128 VanDerWaalsContact O-ND1 3.12Å
127N89.8Confident91.9Very high51 Ų5155.2 Ų55.227%0.27329%0.288SS..  trans-92.296.8178-176.87.6000111.7Y122 E124 P125 N129 S130Y122-N127 WeakPolarHBondContact CB-O 3.3Å; E124-N127 HydrophobicContact CB-CB 3.84Å; E124-N127 PolarHBondContact O-N 3.34Å; E124-N127 PolarHBondContact OE2-ND2 2.83Å; P125-N127 PolarHBondContact O-N 3.09Å; P125-N127 VanDerWaalsContact O-N 3.16Å; N127-N129 PolarHBondContact O-N 3.26Å; N127-N129 VanDerWaalsContact O-N 3.15Å; N127-N129 WeakPolarHBondContact OD1-CB 3.24Å; N127-N129 PolarHBondContact OD1-N 2.89Å; N127-N129 VanDerWaalsContact OD1-N 3.07Å; N127-S130 WeakPolarHBondContact O-CB 3.48Å; N127-S130 PolarHBondContact O-N 3.37Å; N127-S130 VanDerWaalsContact O-N 3.07Å; N127-S130 PolarHBondContact O-OG 3.28Å
128H87.4Confident92.2Very high111 Ų11161.1 Ų61.151%0.51431%0.311SS..G310 helixtrans-59.8-24.6178.6-64.568000113.4Y122 G126 S130Y122-H128 HydrophobicContact CE1-CB 4.37Å; Y122-H128 HydrophobicContact CE2-CB 4.44Å; Y122-H128 AromaticContact CE2-CD2 3.49Å; Y122-H128 VanDerWaalsContact CE2-CD2 3.49Å; Y122-H128 WeakPolarHBondContact CE2-CD2 3.45Å; Y122-H128 AromaticContact CE2-CE1 4Å; Y122-H128 AromaticContact CE2-CG 3.78Å; Y122-H128 AromaticContact CE2-NE2 3.61Å; Y122-H128 AromaticContact CZ-CD2 3.37Å; Y122-H128 AromaticContact CZ-CG 3.81Å; Y122-H128 AromaticContact CZ-NE2 3.92Å; Y122-H128 PolarHBondContact OH-CD2 3.38Å; G126-H128 PolarHBondContact O-N 2.95Å; G126-H128 PolarHBondContact O-ND1 2.96Å; G126-H128 VanDerWaalsContact O-ND1 3.12Å; H128-S130 VanDerWaalsContact C-N 3.34Å
129N91.8Very high92.4Very high152 Ų15259 Ų5981%0.81330%0.303SS*.G310 helixtrans-79.8-15.4179.8-59.2-45.1000113.2N127 G131N127-N129 PolarHBondContact O-N 3.26Å; N127-N129 VanDerWaalsContact O-N 3.15Å; N127-N129 WeakPolarHBondContact OD1-CB 3.24Å; N127-N129 PolarHBondContact OD1-N 2.89Å; N127-N129 VanDerWaalsContact OD1-N 3.07Å; N129-G131 PolarHBondContact O-N 3.15Å
130S91.4Very high92.6Very high24 Ų2457.9 Ų57.917%0.16829%0.294CS..G310 helixtrans-73.6-9.9-179.769.80000113.5K123 E124 N127 H128K123-S130 WeakPolarHBondContact CD-O 3.45Å; K123-S130 PolarHBondContact N-OG 3Å; E124-S130 PolarHBondContact N-OG 2.03Å; N127-S130 WeakPolarHBondContact O-CB 3.48Å; N127-S130 PolarHBondContact O-N 3.37Å; N127-S130 VanDerWaalsContact O-N 3.07Å; N127-S130 PolarHBondContact O-OG 3.28Å; H128-S130 VanDerWaalsContact C-N 3.34Å
131G92.4Very high92.7Very high31 Ų3159 Ų5932%0.3229%0.293SS..  trans82.5156.5-175.600000112.7Y122 K123 N129Y122-G131 WeakPolarHBondContact CA-O 3.47Å; K123-G131 PolarHBondContact N-O 2.86Å; N129-G131 PolarHBondContact O-N 3.15Å
132E93.5Very high92.8Very high74 Ų7460.9 Ų60.935%0.34631%0.306SS..BIsolated β-bridgetrans-68.2132.9-178.3-171.8174.8165.700111.4P120 M134 T137P120-E132 HydrophobicContact CB-CG 3.98Å; E132-M134 HydrophobicContact CB-SD 4.29Å; E132-M134 VanDerWaalsContact CD-SD 3.6Å; E132-M134 HydrophobicContact CG-SD 3.9Å; E132-M134 PolarHBondContact O-N 3.42Å; E132-T137 WeakPolarHBondContact OE1-CG2 3.17Å
133D94.6Very high92.9Very high33 Ų3359 Ų5918%0.17630%0.299CS..  trans-87.393.8163.9-177-15.8000108.1K121 K123 L135 R136 T137K121-D133 PolarHBondContact O-N 3.32Å; K123-D133 HydrophobicContact CG-CB 4.49Å; D133-L135 VanDerWaalsContact C-N 3.25Å; D133-L135 PolarHBondContact O-N 3.5Å; D133-L135 PolarHBondContact OD1-N 3.37Å; D133-R136 HydrophobicContact CB-CB 4.11Å; D133-R136 PolarHBondContact O-N 2.7Å; D133-R136 PolarHBondContact OD1-N 2.86Å; D133-R136 WeakPolarHBondContact OD2-CB 3.3Å; D133-R136 IonicContact OD2-NH1 3.52Å; D133-R136 PolarHBondContact OD2-NH1 2.9Å; D133-T137 VanDerWaalsContact O-CB 3.31Å; D133-T137 WeakPolarHBondContact O-CB 3.38Å; D133-T137 PolarHBondContact O-N 3.43Å; D133-T137 PolarHBondContact O-OG1 3.39Å
134M94.9Very high93Very high93 Ų9353.1 Ų53.146%0.45827%0.274SS..Hα-helixtrans-58.1-39.4-177.1-59.6-60.3-60.900111.8E132 T137 Y138E132-M134 HydrophobicContact CB-SD 4.29Å; E132-M134 VanDerWaalsContact CD-SD 3.6Å; E132-M134 HydrophobicContact CG-SD 3.9Å; E132-M134 PolarHBondContact O-N 3.42Å; M134-T137 PolarHBondContact O-N 3.36Å; M134-Y138 HydrophobicContact CB-CD2 4.5Å; M134-Y138 HydrophobicContact CE-CD2 4.47Å; M134-Y138 HydrophobicContact CE-CE2 3.53Å; M134-Y138 WeakPolarHBondContact O-CD2 3.32Å; M134-Y138 PolarHBondContact O-N 3.22Å
135L95.4Very high93.2Very high104 Ų10451.4 Ų51.455%0.54527%0.268SS..Hα-helixtrans-66.6-51.7-177.5177.962.4000110D133 T137 Y138 L139 L200D133-L135 VanDerWaalsContact C-N 3.25Å; D133-L135 PolarHBondContact O-N 3.5Å; D133-L135 PolarHBondContact OD1-N 3.37Å; L135-T137 VanDerWaalsContact C-N 3.26Å; L135-T137 PolarHBondContact O-N 2.67Å; L135-Y138 PolarHBondContact O-N 3.28Å; L135-L139 HydrophobicContact CD1-CD1 3.95Å; L135-L139 HydrophobicContact CD1-CG 4.13Å; L135-L139 HydrophobicContact CG-CD1 3.89Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CB 3.22Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 3.49Å; L135-L200 HydrophobicContact CD2-CD1 3.86Å; L135-L200 HydrophobicContact CG-CD1 4.05Å
136R94.7Very high93.6Very high5 Ų552.3 Ų52.32%0.01927%0.271CS..Hα-helixtrans-61.6-38.6178.4-165.1165.586.5-121.76.2111.3E64 K121 Y122 D133 W140E64-R136 VanDerWaalsContact CD-NH2 3.33Å; E64-R136 IonicContact OE1-CZ 3.44Å; E64-R136 IonicContact OE1-NE 3.62Å; E64-R136 PolarHBondContact OE1-NE 2.93Å; E64-R136 VanDerWaalsContact OE1-NE 3.14Å; E64-R136 IonicContact OE1-NH2 3.14Å; E64-R136 PolarHBondContact OE1-NH2 3.26Å; E64-R136 IonicContact OE2-CZ 2.68Å; E64-R136 IonicContact OE2-NE 3.29Å; E64-R136 IonicContact OE2-NH2 3.74Å; E64-R136 PolarHBondContact OE2-NH2 3.06Å; K121-R136 HydrophobicContact CB-CB 4.06Å; K121-R136 HydrophobicContact CB-CG 4Å; K121-R136 HydrophobicContact CG-CG 4.17Å; Y122-R136 PolarHBondContact O-NH1 3.5Å; Y122-R136 PolarHBondContact O-NH2 2.9Å; D133-R136 HydrophobicContact CB-CB 4.11Å; D133-R136 PolarHBondContact O-N 2.7Å; D133-R136 PolarHBondContact OD1-N 2.86Å; D133-R136 WeakPolarHBondContact OD2-CB 3.3Å; D133-R136 IonicContact OD2-NH1 3.52Å; D133-R136 PolarHBondContact OD2-NH1 2.9Å; R136-W140 VanDerWaalsContact O-CB 3.24Å; R136-W140 WeakPolarHBondContact O-CB 3.31Å; R136-W140 PolarHBondContact O-N 3.17Å
137T95.1Very high94.2Very high1 Ų151.5 Ų51.51%0.00626%0.263CS..Hα-helixtrans-62-48.6177-590000112.3K121 E132 D133 M134 L135 W140 R141K121-T137 PolarHBondContact N-OG1 3.34Å; K121-T137 PolarHBondContact O-OG1 3.36Å; E132-T137 WeakPolarHBondContact OE1-CG2 3.17Å; D133-T137 VanDerWaalsContact O-CB 3.31Å; D133-T137 WeakPolarHBondContact O-CB 3.38Å; D133-T137 PolarHBondContact O-N 3.43Å; D133-T137 PolarHBondContact O-OG1 3.39Å; M134-T137 PolarHBondContact O-N 3.36Å; L135-T137 VanDerWaalsContact C-N 3.26Å; L135-T137 PolarHBondContact O-N 2.67Å; T137-W140 PolarHBondContact O-N 3.02Å; T137-R141 VanDerWaalsContact CG2-CZ 3.49Å; T137-R141 WeakPolarHBondContact O-CG 3.21Å; T137-R141 PolarHBondContact O-N 3.29Å
138Y95.9Very high94.6Very high126 Ų12652.4 Ų52.449%0.49427%0.267SS..Hα-helixtrans-70.7-38.9179.5-76.3-62.9000112.8M134 L135 W140 R141 C142M134-Y138 HydrophobicContact CB-CD2 4.5Å; M134-Y138 HydrophobicContact CE-CD2 4.47Å; M134-Y138 HydrophobicContact CE-CE2 3.53Å; M134-Y138 WeakPolarHBondContact O-CD2 3.32Å; M134-Y138 PolarHBondContact O-N 3.22Å; L135-Y138 PolarHBondContact O-N 3.28Å; Y138-W140 VanDerWaalsContact C-N 3.3Å; Y138-W140 PolarHBondContact O-N 3.01Å; Y138-R141 PolarHBondContact O-N 3.45Å; Y138-C142 WeakPolarHBondContact O-CB 3.28Å; Y138-C142 PolarHBondContact O-N 2.91Å; Y138-C142 PolarHBondContact O-SG 3.4Å
139L96.4Very high95.1Very high28 Ų2849.9 Ų49.915%0.14726%0.262CS..Hα-helixtrans-58.5-45.4174.5-70.9171.3000111L135 C142 Q143 C193 A196 L200L135-L139 HydrophobicContact CD1-CD1 3.95Å; L135-L139 HydrophobicContact CD1-CG 4.13Å; L135-L139 HydrophobicContact CG-CD1 3.89Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CB 3.22Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 3.49Å; L139-C142 PolarHBondContact O-N 3.01Å; L139-Q143 PolarHBondContact O-N 3.18Å; L139-C193 HydrophobicContact CD2-CB 4.14Å; L139-A196 HydrophobicContact CD1-CB 4.09Å; L139-A196 HydrophobicContact CD2-CB 4.35Å; L139-L200 HydrophobicContact CD1-CD1 3.53Å
140W93.7Very high95.4Very high19 Ų1942.6 Ų42.67%0.07222%0.223CC..Hα-helixtrans-60.6-47176.4-178.7-89.9000112.5Q117 K121 R136 T137 Y138 Q143Q117-W140 PolarHBondContact O-NE1 3.48Å; K121-W140 HydrophobicContact CG-CB 4.43Å; R136-W140 VanDerWaalsContact O-CB 3.24Å; R136-W140 WeakPolarHBondContact O-CB 3.31Å; R136-W140 PolarHBondContact O-N 3.17Å; T137-W140 PolarHBondContact O-N 3.02Å; Y138-W140 VanDerWaalsContact C-N 3.3Å; Y138-W140 PolarHBondContact O-N 3.01Å; W140-Q143 VanDerWaalsContact CD2-NE2 3.26Å; W140-Q143 VanDerWaalsContact O-CG 3.24Å; W140-Q143 WeakPolarHBondContact O-CG 3.38Å; W140-Q143 PolarHBondContact O-N 3.4Å
141R95.4Very high95.7Very high61 Ų6143.2 Ų43.223%0.2323%0.225CC..Hα-helixtrans-65.7-41.3177.9-69.9173.5177.2166.12.3111.9F118 T137 Y138 F144 L145F118-R141 HydrophobicContact CD1-CB 4.49Å; F118-R141 HydrophobicContact CD1-CG 3.81Å; F118-R141 HydrophobicContact CE1-CB 4.42Å; F118-R141 HydrophobicContact CE1-CG 4.22Å; F118-R141 PolarHBondContact O-NE 2.98Å; F118-R141 PolarHBondContact O-NH2 3.43Å; T137-R141 VanDerWaalsContact CG2-CZ 3.49Å; T137-R141 WeakPolarHBondContact O-CG 3.21Å; T137-R141 PolarHBondContact O-N 3.29Å; Y138-R141 PolarHBondContact O-N 3.45Å; R141-F144 PolarHBondContact O-N 2.8Å; R141-L145 WeakPolarHBondContact O-CB 3.33Å; R141-L145 WeakPolarHBondContact O-CG 3.39Å; R141-L145 PolarHBondContact O-N 3.47Å
142C96.1Very high96Very high43 Ų4343.8 Ų43.829%0.29123%0.23SC..Hα-helixtrans-63.7-42.2178.9-76.10000111.9Y138 L139 F144 L145 L146 C193Y138-C142 WeakPolarHBondContact O-CB 3.28Å; Y138-C142 PolarHBondContact O-N 2.91Å; Y138-C142 PolarHBondContact O-SG 3.4Å; L139-C142 PolarHBondContact O-N 3.01Å; C142-F144 PolarHBondContact O-N 3.37Å; C142-L145 PolarHBondContact O-N 3.24Å; C142-L146 HydrophobicContact CB-CD1 3.84Å; C142-L146 HydrophobicContact CB-CG 4.3Å; C142-L146 WeakPolarHBondContact O-CB 3.46Å; C142-L146 WeakPolarHBondContact O-CD1 3.17Å; C142-L146 WeakPolarHBondContact O-CG 3.21Å; C142-L146 PolarHBondContact O-N 2.74Å; C142-C193 HydrophobicContact CB-CB 4.22Å
143Q95.2Very high96.2Very high4 Ų442.1 Ų42.12%0.01922%0.223CC..Hα-helixtrans-59.9-21.2177.896.1-161.9-15.800112.5L80 L139 W140 P147 T190 C193 Y194L80-Q143 HydrophobicContact CD2-CG 4.08Å; L139-Q143 PolarHBondContact O-N 3.18Å; W140-Q143 VanDerWaalsContact CD2-NE2 3.26Å; W140-Q143 VanDerWaalsContact O-CG 3.24Å; W140-Q143 WeakPolarHBondContact O-CG 3.38Å; W140-Q143 PolarHBondContact O-N 3.4Å; Q143-P147 WeakPolarHBondContact O-CD 3.37Å; Q143-P147 VanDerWaalsContact O-CG 3.31Å; Q143-P147 WeakPolarHBondContact O-CG 3.48Å; Q143-T190 VanDerWaalsContact O-CG2 3.28Å; Q143-T190 WeakPolarHBondContact O-CG2 3.48Å; Q143-C193 HydrophobicContact CB-CB 4.16Å; Q143-Y194 HydrophobicContact CG-CD2 4.36Å; Q143-Y194 VanDerWaalsContact OE1-CD2 3.32Å
144F93.7Very high96.4Very high6 Ų641 Ų413%0.02622%0.217CC..Hα-helixtrans-97.1-43.2179.5175.7-93.6000112.8W81 L114 Q117 F118 R141 C142 P147 L148W81-F144 AromaticContact CD2-CE2 3.75Å; W81-F144 HydrophobicContact CD2-CE2 3.75Å; W81-F144 AromaticContact CE2-CE2 3.4Å; W81-F144 VanDerWaalsContact CE2-CE2 3.4Å; W81-F144 AromaticContact CE3-CE2 3.74Å; W81-F144 HydrophobicContact CE3-CE2 3.74Å; W81-F144 HydrophobicContact CE3-CZ 4.32Å; W81-F144 HydrophobicContact CH2-CE1 4.4Å; W81-F144 AromaticContact CH2-CE2 3.24Å; W81-F144 HydrophobicContact CH2-CE2 3.24Å; W81-F144 AromaticContact CH2-CZ 3.11Å; W81-F144 HydrophobicContact CH2-CZ 3.11Å; W81-F144 HydrophobicContact CZ2-CD2 4.28Å; W81-F144 AromaticContact CZ2-CE2 3.15Å; W81-F144 HydrophobicContact CZ2-CE2 3.15Å; W81-F144 AromaticContact CZ2-CZ 3.38Å; W81-F144 HydrophobicContact CZ2-CZ 3.38Å; W81-F144 AromaticContact CZ3-CE2 3.49Å; W81-F144 HydrophobicContact CZ3-CE2 3.49Å; W81-F144 VanDerWaalsContact CZ3-CE2 3.49Å; W81-F144 AromaticContact CZ3-CZ 3.59Å; W81-F144 HydrophobicContact CZ3-CZ 3.59Å; L114-F144 HydrophobicContact CD2-CE1 4.21Å; L114-F144 HydrophobicContact CD2-CZ 3.72Å; Q117-F144 HydrophobicContact CB-CD2 4.5Å; Q117-F144 HydrophobicContact CB-CE2 4.4Å; Q117-F144 HydrophobicContact CB-CZ 4.43Å; Q117-F144 HydrophobicContact CG-CD2 4.09Å; Q117-F144 HydrophobicContact CG-CE2 3.8Å; Q117-F144 HydrophobicContact CG-CZ 4.16Å; F118-F144 HydrophobicContact CE2-CD1 4.4Å; F118-F144 HydrophobicContact CE2-CE1 4.09Å; F118-F144 HydrophobicContact CZ-CD1 4.05Å; F118-F144 HydrophobicContact CZ-CE1 4.08Å; R141-F144 PolarHBondContact O-N 2.8Å; C142-F144 PolarHBondContact O-N 3.37Å; F144-P147 VanDerWaalsContact O-CD 3.3Å; F144-P147 WeakPolarHBondContact O-CD 3.31Å; F144-P147 WeakPolarHBondContact O-CG 3.25Å; F144-L148 HydrophobicContact CD1-CD1 4.39Å; F144-L148 HydrophobicContact CE1-CD1 3.87Å; F144-L148 HydrophobicContact CZ-CD1 4.01Å; F144-L148 WeakPolarHBondContact O-CG 3.38Å
145L96.4Very high96.5Very high77 Ų7740.8 Ų40.840%0.40322%0.222SC..Hα-helixtrans-75.9-41.1-177.1-76.1176.8000113.8F118 R141 C142 L148 S149F118-L145 HydrophobicContact CE1-CD1 3.92Å; F118-L145 HydrophobicContact CE1-CD2 4.22Å; F118-L145 HydrophobicContact CE1-CG 4.04Å; F118-L145 HydrophobicContact CZ-CD1 4.31Å; F118-L145 HydrophobicContact CZ-CD2 3.74Å; F118-L145 HydrophobicContact CZ-CG 4Å; R141-L145 WeakPolarHBondContact O-CB 3.33Å; R141-L145 WeakPolarHBondContact O-CG 3.39Å; R141-L145 PolarHBondContact O-N 3.47Å; C142-L145 PolarHBondContact O-N 3.24Å; L145-L148 PolarHBondContact O-N 3.45Å; L145-S149 WeakPolarHBondContact O-CB 3.29Å; L145-S149 PolarHBondContact O-N 3.36Å; L145-S149 PolarHBondContact O-OG 2.8Å
146L97.9Very high96.6Very high38 Ų3839.8 Ų39.820%0.19922%0.216CC..Hα-helixtrans-61.8-42.1-177.4-67.3172000114.2C142 L148 S149 S150 C186 A189 T190C142-L146 HydrophobicContact CB-CD1 3.84Å; C142-L146 HydrophobicContact CB-CG 4.3Å; C142-L146 WeakPolarHBondContact O-CB 3.46Å; C142-L146 WeakPolarHBondContact O-CD1 3.17Å; C142-L146 WeakPolarHBondContact O-CG 3.21Å; C142-L146 PolarHBondContact O-N 2.74Å; L146-L148 VanDerWaalsContact C-N 3.34Å; L146-L148 PolarHBondContact O-N 3.14Å; L146-S149 WeakPolarHBondContact O-CB 3.41Å; L146-S149 PolarHBondContact O-N 2.91Å; L146-S150 WeakPolarHBondContact O-CB 3.44Å; L146-S150 PolarHBondContact O-N 2.96Å; L146-C186 HydrophobicContact CB-CB 4.46Å; L146-A189 HydrophobicContact CD1-CB 3.69Å; L146-T190 WeakPolarHBondContact CB-OG1 3.33Å
147P96.9Very high96.8Very high0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-70.2-31.617928.1-33.8000112.2L24 I28 L80 Q143 F144 S150 L151 T190L24-P147 HydrophobicContact CD1-CB 4.19Å; I28-P147 HydrophobicContact CD1-CB 3.76Å; I28-P147 HydrophobicContact CG1-CB 3.87Å; I28-P147 HydrophobicContact CG1-CG 4.44Å; L80-P147 HydrophobicContact CD1-CG 3.98Å; Q143-P147 WeakPolarHBondContact O-CD 3.37Å; Q143-P147 VanDerWaalsContact O-CG 3.31Å; Q143-P147 WeakPolarHBondContact O-CG 3.48Å; F144-P147 VanDerWaalsContact O-CD 3.3Å; F144-P147 WeakPolarHBondContact O-CD 3.31Å; F144-P147 WeakPolarHBondContact O-CG 3.25Å; P147-S150 WeakPolarHBondContact O-CB 3.09Å; P147-S150 PolarHBondContact O-N 3.31Å; P147-L151 PolarHBondContact O-N 3.28Å; P147-T190 HydrophobicContact CB-CG2 4Å; P147-T190 WeakPolarHBondContact CD-OG1 3.44Å; P147-T190 HydrophobicContact CG-CG2 3.73Å
148L96.8Very high96.8Very high70 Ų7041.6 Ų41.637%0.36624%0.237SC..Hα-helixtrans-67.9-40.7172.1-62.2178.4000111.5W81 F144 L145 L146 S150 L151 G152W81-L148 HydrophobicContact CZ2-CD1 4.44Å; F144-L148 HydrophobicContact CD1-CD1 4.39Å; F144-L148 HydrophobicContact CE1-CD1 3.87Å; F144-L148 HydrophobicContact CZ-CD1 4.01Å; F144-L148 WeakPolarHBondContact O-CG 3.38Å; L145-L148 PolarHBondContact O-N 3.45Å; L146-L148 VanDerWaalsContact C-N 3.34Å; L146-L148 PolarHBondContact O-N 3.14Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-S150 PolarHBondContact O-N 3.37Å; L148-L151 PolarHBondContact O-N 2.8Å; L148-G152 PolarHBondContact O-N 2.82Å
149S98.1Very high96.8Very high58 Ų5840.5 Ų40.541%0.40624%0.239SC..Hα-helixtrans-61.8-42.4174.5-56.70000110.8L145 L146 G152 L153L145-S149 WeakPolarHBondContact O-CB 3.29Å; L145-S149 PolarHBondContact O-N 3.36Å; L145-S149 PolarHBondContact O-OG 2.8Å; L146-S149 WeakPolarHBondContact O-CB 3.41Å; L146-S149 PolarHBondContact O-N 2.91Å; S149-G152 PolarHBondContact O-N 3.05Å; S149-L153 VanDerWaalsContact O-CG 3.28Å; S149-L153 WeakPolarHBondContact O-CG 3.01Å; S149-L153 PolarHBondContact O-N 3.43Å
150S98.3Very high96.8Very high0 Ų042 Ų420%025%0.246CC..Hα-helixtrans-58.3-50.4174.9-1770000112L24 L146 P147 L148 G152 L153 V154 A183 T187L24-S150 WeakPolarHBondContact CD2-OG 3.45Å; L146-S150 WeakPolarHBondContact O-CB 3.44Å; L146-S150 PolarHBondContact O-N 2.96Å; P147-S150 WeakPolarHBondContact O-CB 3.09Å; P147-S150 PolarHBondContact O-N 3.31Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-S150 PolarHBondContact O-N 3.37Å; S150-G152 VanDerWaalsContact C-N 3.34Å; S150-G152 PolarHBondContact O-N 2.99Å; S150-L153 PolarHBondContact O-N 2.71Å; S150-V154 WeakPolarHBondContact O-CG2 3.32Å; S150-V154 PolarHBondContact O-N 3.24Å; S150-A183 PolarHBondContact OG-O 2.79Å; S150-T187 WeakPolarHBondContact CB-OG1 3.47Å; S150-T187 PolarHBondContact OG-OG1 2.95Å
151L98.1Very high96.8Very high37 Ų3742 Ų4219%0.19425%0.252CS..Hα-helixtrans-58.8-43.6174.9-71.9178.8000112.3T21 L24 I28 P147 L148 L153 V154 V155T21-L151 HydrophobicContact CG2-CD2 3.99Å; L24-L151 HydrophobicContact CB-CD2 4.46Å; L24-L151 HydrophobicContact CD2-CD2 3.92Å; L24-L151 HydrophobicContact CD2-CG 4.06Å; L24-L151 HydrophobicContact CG-CD2 4.16Å; L24-L151 HydrophobicContact CG-CG 4.38Å; I28-L151 HydrophobicContact CD1-CD1 3.5Å; I28-L151 HydrophobicContact CD1-CG 4.07Å; P147-L151 PolarHBondContact O-N 3.28Å; L148-L151 PolarHBondContact O-N 2.8Å; L151-L153 PolarHBondContact O-N 2.88Å; L151-V154 PolarHBondContact O-N 3.28Å; L151-V155 WeakPolarHBondContact O-CG2 3.46Å; L151-V155 PolarHBondContact O-N 3.49Å
152G98.3Very high96.7Very high42 Ų4245.3 Ų45.343%0.43327%0.268SS..Hα-helixtrans-59.6-43.1176.900000113L148 S149 S150 V154 V155 L156L148-G152 PolarHBondContact O-N 2.82Å; S149-G152 PolarHBondContact O-N 3.05Å; S150-G152 VanDerWaalsContact C-N 3.34Å; S150-G152 PolarHBondContact O-N 2.99Å; G152-V154 PolarHBondContact O-N 3.34Å; G152-V155 PolarHBondContact O-N 2.87Å; G152-L156 WeakPolarHBondContact O-CB 3.48Å; G152-L156 PolarHBondContact O-N 2.84Å
153L98.4Very high96.5Very high39 Ų3946.5 Ų46.520%0.20428%0.277CS..Hα-helixtrans-62.8-41176.5-71.5168.9000112S149 S150 L151 L156 A157 L179 L182 A183S149-L153 VanDerWaalsContact O-CG 3.28Å; S149-L153 WeakPolarHBondContact O-CG 3.01Å; S149-L153 PolarHBondContact O-N 3.43Å; S150-L153 PolarHBondContact O-N 2.71Å; L151-L153 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 3.01Å; L153-A157 WeakPolarHBondContact O-CB 3.06Å; L153-A157 PolarHBondContact O-N 3.48Å; L153-L179 HydrophobicContact CD2-CD2 3.77Å; L153-L182 HydrophobicContact CD1-CB 3.82Å; L153-A183 HydrophobicContact CB-CB 4.13Å; L153-A183 HydrophobicContact CD1-CB 4.48Å
154V97.9Very high96.3Very high9 Ų946.9 Ų46.96%0.05528%0.281CS..Hα-helixtrans-70-40.9178.9179.10000111.4T21 S150 L151 G152 L156 A157 G158 A183 H229T21-V154 WeakPolarHBondContact OG1-CG1 3.48Å; S150-V154 WeakPolarHBondContact O-CG2 3.32Å; S150-V154 PolarHBondContact O-N 3.24Å; L151-V154 PolarHBondContact O-N 3.28Å; G152-V154 PolarHBondContact O-N 3.34Å; V154-L156 VanDerWaalsContact C-N 3.35Å; V154-A157 WeakPolarHBondContact O-CB 3.19Å; V154-A157 PolarHBondContact O-N 3.3Å; V154-G158 PolarHBondContact O-N 3.2Å; V154-A183 HydrophobicContact CG2-CB 3.58Å; V154-H229 WeakPolarHBondContact CG2-CE1 2.97Å
155V98.1Very high96.1Very high90 Ų9051.3 Ų51.355%0.54531%0.311SS..Hα-helixtrans-60.3-46.7173.9170.20000110.5L151 G152 A157 G158 L159L151-V155 WeakPolarHBondContact O-CG2 3.46Å; L151-V155 PolarHBondContact O-N 3.49Å; G152-V155 PolarHBondContact O-N 2.87Å; V155-A157 VanDerWaalsContact C-N 3.32Å; V155-A157 PolarHBondContact O-N 2.96Å; V155-G158 PolarHBondContact O-N 3.45Å; V155-L159 HydrophobicContact CG1-CD1 4.24Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 3Å
156L98Very high95.9Very high83 Ų8353.3 Ų53.344%0.43532%0.322SS..Hα-helixtrans-59-44175.4179.461.5000111.5G152 L153 V154 G158 L159 I160 L179G152-L156 WeakPolarHBondContact O-CB 3.48Å; G152-L156 PolarHBondContact O-N 2.84Å; L153-L156 PolarHBondContact O-N 3.01Å; V154-L156 VanDerWaalsContact C-N 3.35Å; L156-G158 VanDerWaalsContact C-N 3.33Å; L156-G158 PolarHBondContact O-N 2.9Å; L156-L159 PolarHBondContact O-N 2.64Å; L156-I160 HydrophobicContact CD1-CD1 4.12Å; L156-I160 HydrophobicContact CD1-CG1 4.38Å; L156-I160 HydrophobicContact CG-CD1 3.97Å; L156-I160 VanDerWaalsContact O-CG1 3.28Å; L156-I160 WeakPolarHBondContact O-CG1 3.5Å; L156-I160 PolarHBondContact O-N 2.87Å; L156-L179 HydrophobicContact CD2-CD1 4.31Å; L156-L179 HydrophobicContact CD2-CD2 4.29Å; L156-L179 HydrophobicContact CG-CD1 4.16Å
157A97.1Very high95.6Very high0 Ų056.2 Ų56.20%034%0.344CS..Hα-helixtrans-61.8-40.8176.700000112.1L153 V154 V155 I160 G161 I176 L179 H180L153-A157 WeakPolarHBondContact O-CB 3.06Å; L153-A157 PolarHBondContact O-N 3.48Å; V154-A157 WeakPolarHBondContact O-CB 3.19Å; V154-A157 PolarHBondContact O-N 3.3Å; V155-A157 VanDerWaalsContact C-N 3.32Å; V155-A157 PolarHBondContact O-N 2.96Å; A157-I160 PolarHBondContact O-N 2.96Å; A157-G161 PolarHBondContact O-N 3.3Å; A157-I176 HydrophobicContact CB-CG2 4.04Å; A157-L179 HydrophobicContact CB-CB 3.83Å; A157-L179 HydrophobicContact CB-CD1 3.83Å; A157-H180 VanDerWaalsContact CB-CE1 3.5Å; A157-H180 WeakPolarHBondContact CB-CE1 3.34Å
158G95.9Very high95.1Very high44 Ų4467.4 Ų67.445%0.45439%0.386SS..Hα-helixtrans-63.3-43.617500000112.8V154 V155 L156 G161 F162V154-G158 PolarHBondContact O-N 3.2Å; V155-G158 PolarHBondContact O-N 3.45Å; L156-G158 VanDerWaalsContact C-N 3.33Å; L156-G158 PolarHBondContact O-N 2.9Å; G158-G161 PolarHBondContact O-N 3.45Å; G158-F162 WeakPolarHBondContact O-CB 3.13Å; G158-F162 PolarHBondContact O-N 2.87Å
159L96.8Very high94.5Very high103 Ų10365.9 Ų65.954%0.53938%0.381SS..Hα-helixtrans-62.8-45.8175.7-70.1173.1000111.7V155 L156 G161 F162 C163V155-L159 HydrophobicContact CG1-CD1 4.24Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 3Å; L156-L159 PolarHBondContact O-N 2.64Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-G161 PolarHBondContact O-N 2.77Å; L159-F162 PolarHBondContact O-N 3.34Å; L159-C163 PolarHBondContact O-N 2.82Å; L159-C163 PolarHBondContact O-SG 3.49Å; L159-C163 VanDerWaalsContact O-SG 3.35Å
160I95.8Very high93.7Very high59 Ų5965.9 Ų65.930%0.30338%0.377SS..Hα-helixtrans-60.6-44.1175.6-66.7166.4000110.1L156 A157 C163 A164 P172 I176 L179L156-I160 HydrophobicContact CD1-CD1 4.12Å; L156-I160 HydrophobicContact CD1-CG1 4.38Å; L156-I160 HydrophobicContact CG-CD1 3.97Å; L156-I160 VanDerWaalsContact O-CG1 3.28Å; L156-I160 WeakPolarHBondContact O-CG1 3.5Å; L156-I160 PolarHBondContact O-N 2.87Å; A157-I160 PolarHBondContact O-N 2.96Å; I160-C163 PolarHBondContact O-N 2.83Å; I160-A164 VanDerWaalsContact O-CB 3.3Å; I160-A164 WeakPolarHBondContact O-CB 3.22Å; I160-A164 PolarHBondContact O-N 2.84Å; I160-P172 HydrophobicContact CG2-CB 3.62Å; I160-P172 HydrophobicContact CG2-CG 4.22Å; I160-I176 HydrophobicContact CB-CG1 4.25Å; I160-I176 HydrophobicContact CG2-CD1 4.1Å; I160-I176 HydrophobicContact CG2-CG1 3.81Å; I160-L179 HydrophobicContact CD1-CD1 3.72Å
161G93.4Very high93Very high19 Ų1971.8 Ų71.820%0.19641%0.413CS..Hα-helixtrans-61.7-43.1176.500000113.1A157 G158 L159 A164 C165A157-G161 PolarHBondContact O-N 3.3Å; G158-G161 PolarHBondContact O-N 3.45Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-G161 PolarHBondContact O-N 2.77Å; G161-A164 WeakPolarHBondContact O-CB 3.49Å; G161-A164 PolarHBondContact O-N 3.25Å; G161-C165 PolarHBondContact O-N 3.13Å; G161-C165 PolarHBondContact O-SG 2.91Å
162F93.6Very high92.7Very high130 Ų13071.9 Ų71.957%0.5742%0.416SS*.Hα-helixtrans-62.4-47.4176.2-179.5-102.7000111.9G158 L159 A164 C165 L166G158-F162 WeakPolarHBondContact O-CB 3.13Å; G158-F162 PolarHBondContact O-N 2.87Å; L159-F162 PolarHBondContact O-N 3.34Å; F162-A164 VanDerWaalsContact C-N 3.3Å; F162-A164 PolarHBondContact O-N 3.5Å; F162-C165 WeakPolarHBondContact O-CB 3.32Å; F162-C165 PolarHBondContact O-N 2.89Å; F162-L166 HydrophobicContact CD1-CD1 4.04Å; F162-L166 HydrophobicContact CE1-CD1 3.54Å; F162-L166 HydrophobicContact CE1-CG 4.19Å; F162-L166 HydrophobicContact CZ-CD1 4.04Å; F162-L166 HydrophobicContact CZ-CD2 4.39Å; F162-L166 HydrophobicContact CZ-CG 4.33Å; F162-L166 PolarHBondContact O-N 3.27Å
163C93Very high92.4Very high69 Ų6970.3 Ų70.347%0.46640%0.398SS..Hα-helixtrans-60.2-39.9174.4-69.80000112L159 I160 C165 L166 C167L159-C163 PolarHBondContact O-N 2.82Å; L159-C163 PolarHBondContact O-SG 3.49Å; L159-C163 VanDerWaalsContact O-SG 3.35Å; I160-C163 PolarHBondContact O-N 2.83Å; C163-C165 VanDerWaalsContact C-N 3.33Å; C163-C165 PolarHBondContact O-N 3.17Å; C163-L166 PolarHBondContact O-N 3.26Å; C163-C167 WeakPolarHBondContact O-CB 3.45Å; C163-C167 PolarHBondContact O-N 3.25Å; C163-C167 PolarHBondContact O-SG 3.25Å; C163-C167 VanDerWaalsContact O-SG 3.37Å
164A90.7Very high92.1Very high12 Ų1272.5 Ų72.510%0.09941%0.409CS..Hα-helixtrans-60.8-42.4176.400000111.9I160 G161 F162 C167 R168 S169 P172I160-A164 VanDerWaalsContact O-CB 3.3Å; I160-A164 WeakPolarHBondContact O-CB 3.22Å; I160-A164 PolarHBondContact O-N 2.84Å; G161-A164 WeakPolarHBondContact O-CB 3.49Å; G161-A164 PolarHBondContact O-N 3.25Å; F162-A164 VanDerWaalsContact C-N 3.3Å; F162-A164 PolarHBondContact O-N 3.5Å; A164-C167 CarbonylContact O-C 3.08Å; A164-C167 PolarHBondContact O-N 3.44Å; A164-R168 PolarHBondContact O-N 2.88Å; A164-S169 WeakPolarHBondContact CB-O 3.24Å; A164-S169 PolarHBondContact O-N 3.18Å; A164-P172 HydrophobicContact CB-CG 3.37Å
165C89.1Confident92Very high99 Ų9973.9 Ų73.967%0.66943%0.425SS*.Hα-helixtrans-62.4-44.8174.9-70.80000112.2G161 F162 C163 C167 R168G161-C165 PolarHBondContact O-N 3.13Å; G161-C165 PolarHBondContact O-SG 2.91Å; F162-C165 WeakPolarHBondContact O-CB 3.32Å; F162-C165 PolarHBondContact O-N 2.89Å; C163-C165 VanDerWaalsContact C-N 3.33Å; C163-C165 PolarHBondContact O-N 3.17Å; C165-C167 VanDerWaalsContact C-N 3.34Å; C165-C167 PolarHBondContact O-N 3.4Å; C165-R168 PolarHBondContact O-N 2.8Å; C165-R168 VanDerWaalsContact O-N 3.13Å
166L92.1Very high91.9Very high119 Ų11970.4 Ų70.462%0.62340%0.403SS*.Hα-helixtrans-61.2-42.8176.4-68178.7000111.9F162 C163 R168F162-L166 HydrophobicContact CD1-CD1 4.04Å; F162-L166 HydrophobicContact CE1-CD1 3.54Å; F162-L166 HydrophobicContact CE1-CG 4.19Å; F162-L166 HydrophobicContact CZ-CD1 4.04Å; F162-L166 HydrophobicContact CZ-CD2 4.39Å; F162-L166 HydrophobicContact CZ-CG 4.33Å; F162-L166 PolarHBondContact O-N 3.27Å; C163-L166 PolarHBondContact O-N 3.26Å; L166-R168 PolarHBondContact O-N 3.23Å
167C90.9Very high91.9Very high99 Ų9966.4 Ų66.467%0.66938%0.382SS*.THydrogen-bonded Turntrans-79.80.1177.9-64.20000113.7C163 A164 C165 S169C163-C167 WeakPolarHBondContact O-CB 3.45Å; C163-C167 PolarHBondContact O-N 3.25Å; C163-C167 PolarHBondContact O-SG 3.25Å; C163-C167 VanDerWaalsContact O-SG 3.37Å; A164-C167 CarbonylContact O-C 3.08Å; A164-C167 PolarHBondContact O-N 3.44Å; C165-C167 VanDerWaalsContact C-N 3.34Å; C165-C167 PolarHBondContact O-N 3.4Å; C167-S169 PolarHBondContact O-N 2.81Å; C167-S169 VanDerWaalsContact O-N 3.16Å
168R86.4Confident91.9Very high235 Ų23569.7 Ų69.789%0.88740%0.402SS*.THydrogen-bonded Turntrans49.337.3-174.5-58.7-178.1178.6174-0.3113.2A164 C165 L166A164-R168 PolarHBondContact O-N 2.88Å; C165-R168 PolarHBondContact O-N 2.8Å; C165-R168 VanDerWaalsContact O-N 3.13Å; L166-R168 PolarHBondContact O-N 3.23Å
169S84.7Confident92.1Very high38 Ų3868.9 Ų68.927%0.26639%0.387SS..  trans-113.6134.7-174.8179.10000110.9A164 C167 T171A164-S169 WeakPolarHBondContact CB-O 3.24Å; A164-S169 PolarHBondContact O-N 3.18Å; C167-S169 PolarHBondContact O-N 2.81Å; C167-S169 VanDerWaalsContact O-N 3.16Å; S169-T171 PolarHBondContact OG-N 3.4Å; S169-T171 PolarHBondContact OG-OG1 3.27Å
170L80.4Confident92.1Very high58 Ų5864.4 Ų64.430%0.30436%0.364SS..  trans-101.4-2.9177.1-56.9178.9000112.5Y6 T173Y6-L170 HydrophobicContact CE1-CD1 3.71Å; Y6-L170 HydrophobicContact CE1-CD2 4.14Å; Y6-L170 HydrophobicContact CE2-CD1 4.41Å; Y6-L170 WeakPolarHBondContact OH-CD1 3.43Å; Y6-L170 WeakPolarHBondContact OH-CD2 3.46Å; Y6-L170 WeakPolarHBondContact OH-CG 3.32Å; L170-T173 WeakPolarHBondContact O-CB 3.19Å; L170-T173 PolarHBondContact O-N 3.41Å; L170-T173 PolarHBondContact O-OG1 3.48Å
171T83.8Confident92.3Very high124 Ų12465 Ų6576%0.76137%0.367SS*.THydrogen-bonded Turntrans-55.4-39.7-177.9-35.20000114.2S169 T173S169-T171 PolarHBondContact OG-N 3.4Å; S169-T171 PolarHBondContact OG-OG1 3.27Å; T171-T173 PolarHBondContact O-N 3.21Å
172P91.6Very high92.5Very high39 Ų3967.8 Ų67.825%0.25338%0.377SS..THydrogen-bonded Turntrans-79.1-2.9-176.630.9-33.7000114.1I160 A164 L174 G175 I176I160-P172 HydrophobicContact CG2-CB 3.62Å; I160-P172 HydrophobicContact CG2-CG 4.22Å; A164-P172 HydrophobicContact CB-CG 3.37Å; P172-L174 PolarHBondContact O-N 3.24Å; P172-L174 VanDerWaalsContact O-N 3.14Å; P172-G175 PolarHBondContact O-N 2.84Å; P172-I176 WeakPolarHBondContact O-CG1 3.29Å; P172-I176 PolarHBondContact O-N 2.78Å
173T92.2Very high92.7Very high9 Ų961.6 Ų61.66%0.05535%0.35CS..Hα-helixtrans-53.9-38.6-175.2-51.30000112.7L10 L170 T171 I176 G177 L236 A240L10-T173 HydrophobicContact CD2-CG2 4.13Å; L170-T173 WeakPolarHBondContact O-CB 3.19Å; L170-T173 PolarHBondContact O-N 3.41Å; L170-T173 PolarHBondContact O-OG1 3.48Å; T171-T173 PolarHBondContact O-N 3.21Å; T173-I176 PolarHBondContact O-N 2.84Å; T173-G177 PolarHBondContact O-N 2.97Å; T173-L236 HydrophobicContact CG2-CB 4.31Å; T173-L236 HydrophobicContact CG2-CD2 3.93Å; T173-L236 WeakPolarHBondContact CG2-O 3.29Å; T173-A240 HydrophobicContact CG2-CB 4.15Å
174L93.6Very high93Very high84 Ų8458.3 Ų58.344%0.4433%0.328SS..Hα-helixtrans-63.1-45.7176.7-178.665.4000111.8P172 G177 V178 V237 A240P172-L174 PolarHBondContact O-N 3.24Å; P172-L174 VanDerWaalsContact O-N 3.14Å; L174-G177 PolarHBondContact O-N 3.03Å; L174-V178 WeakPolarHBondContact O-CG2 3.49Å; L174-V178 PolarHBondContact O-N 2.77Å; L174-V237 HydrophobicContact CD1-CB 4.48Å; L174-V237 HydrophobicContact CD1-CG1 4.1Å; L174-V237 HydrophobicContact CD1-CG2 4.19Å; L174-A240 HydrophobicContact CB-CB 3.89Å
175G95.2Very high93.4Very high38 Ų3861.5 Ų61.539%0.39234%0.343SS..Hα-helixtrans-63.9-42.4178.400000112P172 G177 V178 L179P172-G175 PolarHBondContact O-N 2.84Å; G175-G177 VanDerWaalsContact C-N 3.28Å; G175-G177 PolarHBondContact O-N 2.94Å; G175-V178 PolarHBondContact O-N 3.34Å; G175-L179 WeakPolarHBondContact O-CG 3.22Å; G175-L179 PolarHBondContact O-N 3.22Å
176I96.8Very high93.8Very high17 Ų1758 Ų589%0.08732%0.319CS..Hα-helixtrans-57.9-43.5173.6-60.6170.5000110.1A157 I160 P172 T173 L179 H180 L236A157-I176 HydrophobicContact CB-CG2 4.04Å; I160-I176 HydrophobicContact CB-CG1 4.25Å; I160-I176 HydrophobicContact CG2-CD1 4.1Å; I160-I176 HydrophobicContact CG2-CG1 3.81Å; P172-I176 WeakPolarHBondContact O-CG1 3.29Å; P172-I176 PolarHBondContact O-N 2.78Å; T173-I176 PolarHBondContact O-N 2.84Å; I176-L179 PolarHBondContact O-N 3.36Å; I176-H180 PolarHBondContact O-N 3.12Å; I176-H180 VanDerWaalsContact O-N 3.09Å; I176-H180 PolarHBondContact O-ND1 3.39Å; I176-L236 HydrophobicContact CG2-CD1 3.77Å
177G97.1Very high94.1Very high0 Ų052.3 Ų52.30%029%0.289CS..Hα-helixtrans-60.6-44.7175.300000113.2T173 L174 G175 L179 H180 L181 A233T173-G177 PolarHBondContact O-N 2.97Å; L174-G177 PolarHBondContact O-N 3.03Å; G175-G177 VanDerWaalsContact C-N 3.28Å; G175-G177 PolarHBondContact O-N 2.94Å; G177-L179 PolarHBondContact O-N 3.27Å; G177-H180 PolarHBondContact O-N 3.19Å; G177-L181 PolarHBondContact O-N 2.82Å; G177-A233 WeakPolarHBondContact O-CB 3.45Å
178V98Very high94.5Very high69 Ų6950.8 Ų50.842%0.41827%0.274SS..Hα-helixtrans-62-42.2176.4173.10000111.6L174 G175 H180 L181 L182L174-V178 WeakPolarHBondContact O-CG2 3.49Å; L174-V178 PolarHBondContact O-N 2.77Å; G175-V178 PolarHBondContact O-N 3.34Å; V178-H180 VanDerWaalsContact C-N 3.33Å; V178-H180 PolarHBondContact O-N 3.01Å; V178-L181 WeakPolarHBondContact O-CB 3.3Å; V178-L181 PolarHBondContact O-N 2.65Å; V178-L182 HydrophobicContact CG1-CD1 4.18Å; V178-L182 HydrophobicContact CG1-CG 4.46Å; V178-L182 WeakPolarHBondContact O-CG 3.16Å; V178-L182 PolarHBondContact O-N 3.38Å
179L98.3Very high95Very high26 Ų2641.3 Ų41.314%0.13625%0.246CC..Hα-helixtrans-60.5-41.5176.3-68.5172.7000111.9L153 L156 A157 I160 G175 I176 G177 L182 A183L153-L179 HydrophobicContact CD2-CD2 3.77Å; L156-L179 HydrophobicContact CD2-CD1 4.31Å; L156-L179 HydrophobicContact CD2-CD2 4.29Å; L156-L179 HydrophobicContact CG-CD1 4.16Å; A157-L179 HydrophobicContact CB-CB 3.83Å; A157-L179 HydrophobicContact CB-CD1 3.83Å; I160-L179 HydrophobicContact CD1-CD1 3.72Å; G175-L179 WeakPolarHBondContact O-CG 3.22Å; G175-L179 PolarHBondContact O-N 3.22Å; I176-L179 PolarHBondContact O-N 3.36Å; G177-L179 PolarHBondContact O-N 3.27Å; L179-L182 PolarHBondContact O-N 3.06Å; L179-A183 WeakPolarHBondContact O-CB 3.34Å; L179-A183 PolarHBondContact O-N 3.46Å
180H98.4Very high95.7Very high9 Ų939.5 Ų39.54%0.04223%0.234CC..Hα-helixtrans-66.4-36.8175.5-76.675.8000112.6S17 A157 I176 G177 V178 A183 G184 H229 A233S17-H180 VanDerWaalsContact CB-NE2 3.34Å; S17-H180 WeakPolarHBondContact CB-NE2 3.41Å; S17-H180 PolarHBondContact OG-CD2 3.3Å; S17-H180 PolarHBondContact OG-NE2 3.21Å; A157-H180 VanDerWaalsContact CB-CE1 3.5Å; A157-H180 WeakPolarHBondContact CB-CE1 3.34Å; I176-H180 PolarHBondContact O-N 3.12Å; I176-H180 VanDerWaalsContact O-N 3.09Å; I176-H180 PolarHBondContact O-ND1 3.39Å; G177-H180 PolarHBondContact O-N 3.19Å; V178-H180 VanDerWaalsContact C-N 3.33Å; V178-H180 PolarHBondContact O-N 3.01Å; H180-A183 PolarHBondContact O-N 2.89Å; H180-G184 PolarHBondContact O-N 2.75Å; H180-H229 AromaticContact CD2-ND1 3.97Å; H180-A233 HydrophobicContact CB-CB 3.78Å
181L98.5Very high96.5Very high71 Ų7137 Ų3737%0.37222%0.221SC..Hα-helixtrans-63.2-47.6175.7178.762.4000110.7G177 V178 A183 G184 L185 M230 A233G177-L181 PolarHBondContact O-N 2.82Å; V178-L181 WeakPolarHBondContact O-CB 3.3Å; V178-L181 PolarHBondContact O-N 2.65Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 3.36Å; L181-G184 PolarHBondContact O-N 3.21Å; L181-L185 HydrophobicContact CG-CD1 4.38Å; L181-L185 WeakPolarHBondContact O-CG 3.49Å; L181-L185 PolarHBondContact O-N 3.5Å; L181-M230 HydrophobicContact CD1-CE 4.01Å; L181-M230 HydrophobicContact CD1-CG 4.25Å; L181-A233 HydrophobicContact CB-CB 3.86Å
182L98.6Very high97.2Very high79 Ų7934.5 Ų34.541%0.41421%0.208SC..Hα-helixtrans-61.8-41.4177.1-68.2175.1000111.5L153 V178 L179 G184 L185 C186L153-L182 HydrophobicContact CD1-CB 3.82Å; V178-L182 HydrophobicContact CG1-CD1 4.18Å; V178-L182 HydrophobicContact CG1-CG 4.46Å; V178-L182 WeakPolarHBondContact O-CG 3.16Å; V178-L182 PolarHBondContact O-N 3.38Å; L179-L182 PolarHBondContact O-N 3.06Å; L182-G184 PolarHBondContact O-N 2.68Å; L182-L185 PolarHBondContact O-N 2.93Å; L182-C186 PolarHBondContact O-N 2.89Å; L182-C186 PolarHBondContact O-SG 3.37Å; L182-C186 VanDerWaalsContact O-SG 3.34Å
183A98.5Very high97.5Very high0 Ų033.6 Ų33.60%020%0.202CC..Hα-helixtrans-58.4-48.1174.100000111.9S150 L153 V154 L179 H180 L181 L185 C186 T187S150-A183 PolarHBondContact OG-O 2.79Å; L153-A183 HydrophobicContact CB-CB 4.13Å; L153-A183 HydrophobicContact CD1-CB 4.48Å; V154-A183 HydrophobicContact CG2-CB 3.58Å; L179-A183 WeakPolarHBondContact O-CB 3.34Å; L179-A183 PolarHBondContact O-N 3.46Å; H180-A183 PolarHBondContact O-N 2.89Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 3.36Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.43Å; A183-C186 PolarHBondContact O-N 3.38Å; A183-T187 PolarHBondContact O-N 2.94Å; A183-T187 PolarHBondContact O-OG1 3.49Å; A183-T187 VanDerWaalsContact O-OG1 3.09Å
184G98.3Very high97.7Very high0 Ų033.1 Ų33.10%020%0.199CC..Hα-helixtrans-59.9-39.7176.400000113.5H180 L181 L182 T187 L188 S226H180-G184 PolarHBondContact O-N 2.75Å; L181-G184 PolarHBondContact O-N 3.21Å; L182-G184 PolarHBondContact O-N 2.68Å; G184-T187 PolarHBondContact O-N 2.91Å; G184-L188 PolarHBondContact O-N 3.12Å; G184-S226 WeakPolarHBondContact O-CB 3.48Å; G184-S226 PolarHBondContact O-OG 2.92Å
185L98.6Very high97.9Very high78 Ų7832.4 Ų32.441%0.40820%0.195SC..Hα-helixtrans-66.8-43.4174.9-69.7174.3000112.2L181 L182 A183 T187 L188 A189 M230L181-L185 HydrophobicContact CG-CD1 4.38Å; L181-L185 WeakPolarHBondContact O-CG 3.49Å; L181-L185 PolarHBondContact O-N 3.5Å; L182-L185 PolarHBondContact O-N 2.93Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.43Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 3.49Å; L185-L188 PolarHBondContact O-N 3.34Å; L185-A189 VanDerWaalsContact O-CB 3.29Å; L185-A189 WeakPolarHBondContact O-CB 3.18Å; L185-A189 PolarHBondContact O-N 2.94Å; L185-M230 HydrophobicContact CD2-CE 4.39Å
186C98.5Very high98Very high25 Ų2532.4 Ų32.417%0.16919%0.192CC..Hα-helixtrans-59.1-44.3174.3-73.60000111.1L146 L182 A183 A189 T190L146-C186 HydrophobicContact CB-CB 4.46Å; L182-C186 PolarHBondContact O-N 2.89Å; L182-C186 PolarHBondContact O-SG 3.37Å; L182-C186 VanDerWaalsContact O-SG 3.34Å; A183-C186 PolarHBondContact O-N 3.38Å; C186-A189 PolarHBondContact O-N 3.24Å; C186-T190 PolarHBondContact O-N 3.05Å; C186-T190 PolarHBondContact O-OG1 3.44Å
187T98.3Very high97.9Very high0 Ų032.1 Ų32.10%019%0.192CC..Hα-helixtrans-66-40.4177.6-54.70000112.5L24 S150 A183 G184 L185 T190 V191 A222 S225L24-T187 HydrophobicContact CD1-CG2 3.76Å; L24-T187 WeakPolarHBondContact CD2-OG1 3.4Å; S150-T187 WeakPolarHBondContact CB-OG1 3.47Å; S150-T187 PolarHBondContact OG-OG1 2.95Å; A183-T187 PolarHBondContact O-N 2.94Å; A183-T187 PolarHBondContact O-OG1 3.49Å; A183-T187 VanDerWaalsContact O-OG1 3.09Å; G184-T187 PolarHBondContact O-N 2.91Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 3.49Å; T187-T190 VanDerWaalsContact O-CB 3.25Å; T187-T190 WeakPolarHBondContact O-CB 3.33Å; T187-T190 PolarHBondContact O-N 3.36Å; T187-V191 PolarHBondContact O-N 2.97Å; T187-A222 VanDerWaalsContact CG2-O 3.31Å; T187-A222 WeakPolarHBondContact CG2-O 3.45Å; T187-S225 WeakPolarHBondContact CG2-OG 3.5Å
188L98.4Very high97.7Very high67 Ų6732.5 Ų32.535%0.35119%0.194SC..Hα-helixtrans-63-48.1175.4-177.160.5000111.1G184 L185 T190 V191 C192 L223 S226G184-L188 PolarHBondContact O-N 3.12Å; L185-L188 PolarHBondContact O-N 3.34Å; L188-T190 PolarHBondContact O-N 3.36Å; L188-V191 PolarHBondContact O-N 2.83Å; L188-V191 VanDerWaalsContact O-N 3.12Å; L188-C192 PolarHBondContact O-N 3.08Å; L188-C192 PolarHBondContact O-SG 3.32Å; L188-C192 VanDerWaalsContact O-SG 3.36Å; L188-L223 HydrophobicContact CD1-CD1 4.45Å; L188-S226 WeakPolarHBondContact CB-OG 3.44Å
189A98.3Very high97.5Very high37 Ų3732.7 Ų32.731%0.30619%0.193SC..Hα-helixtrans-60-35.9177.100000111.6L146 L185 C186 V191 C192 C193L146-A189 HydrophobicContact CD1-CB 3.69Å; L185-A189 VanDerWaalsContact O-CB 3.29Å; L185-A189 WeakPolarHBondContact O-CB 3.18Å; L185-A189 PolarHBondContact O-N 2.94Å; C186-A189 PolarHBondContact O-N 3.24Å; A189-V191 PolarHBondContact O-N 2.91Å; A189-C192 PolarHBondContact O-N 2.88Å; A189-C193 VanDerWaalsContact O-CB 3.32Å; A189-C193 WeakPolarHBondContact O-CB 3.49Å; A189-C193 PolarHBondContact O-N 2.8Å; A189-C193 PolarHBondContact O-SG 3.4Å
190T97.9Very high97.3Very high0 Ų033.3 Ų33.30%020%0.196CC..Hα-helixtrans-55.4-52.1172.1-56.30000111.5W33 Q143 L146 P147 C186 T187 L188 C193 Y194W33-T190 HydrophobicContact CH2-CG2 3.84Å; W33-T190 HydrophobicContact CZ3-CG2 4.14Å; Q143-T190 VanDerWaalsContact O-CG2 3.28Å; Q143-T190 WeakPolarHBondContact O-CG2 3.48Å; L146-T190 WeakPolarHBondContact CB-OG1 3.33Å; P147-T190 HydrophobicContact CB-CG2 4Å; P147-T190 WeakPolarHBondContact CD-OG1 3.44Å; P147-T190 HydrophobicContact CG-CG2 3.73Å; C186-T190 PolarHBondContact O-N 3.05Å; C186-T190 PolarHBondContact O-OG1 3.44Å; T187-T190 VanDerWaalsContact O-CB 3.25Å; T187-T190 WeakPolarHBondContact O-CB 3.33Å; T187-T190 PolarHBondContact O-N 3.36Å; L188-T190 PolarHBondContact O-N 3.36Å; T190-C193 PolarHBondContact O-N 2.8Å; T190-Y194 WeakPolarHBondContact O-CB 3.26Å; T190-Y194 PolarHBondContact O-N 2.81Å
191V98Very high97Very high5 Ų533.5 Ų33.53%0.0320%0.197CC..Hα-helixtrans-63.9-42.9-179.2174.90000110.6T187 L188 A189 Y194 L195 L219 A222 L223T187-V191 PolarHBondContact O-N 2.97Å; L188-V191 PolarHBondContact O-N 2.83Å; L188-V191 VanDerWaalsContact O-N 3.12Å; A189-V191 PolarHBondContact O-N 2.91Å; V191-Y194 PolarHBondContact O-N 2.87Å; V191-L195 HydrophobicContact CG1-CD1 3.93Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.43Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.29Å; V191-L219 HydrophobicContact CG1-CD1 4.19Å; V191-L219 HydrophobicContact CG2-CD1 4.42Å; V191-A222 HydrophobicContact CG2-CB 3.91Å; V191-L223 HydrophobicContact CG1-CD1 4.23Å
192C98.2Very high96.6Very high72 Ų7231.9 Ų31.949%0.48619%0.188SC..Hα-helixtrans-61.8-45.4175.7-65.30000112.2L188 A189 Y194 L195 A196L188-C192 PolarHBondContact O-N 3.08Å; L188-C192 PolarHBondContact O-SG 3.32Å; L188-C192 VanDerWaalsContact O-SG 3.36Å; A189-C192 PolarHBondContact O-N 2.88Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 2.71Å; C192-L195 PolarHBondContact O-N 2.85Å; C192-A196 VanDerWaalsContact O-CB 3.28Å; C192-A196 WeakPolarHBondContact O-CB 3.15Å; C192-A196 PolarHBondContact O-N 3.32Å
193C97.9Very high96.1Very high19 Ų1936.4 Ų36.413%0.12820%0.199CC..Hα-helixtrans-62.1-42177.4-72.50000111.7L139 C142 Q143 A189 T190 G197L139-C193 HydrophobicContact CD2-CB 4.14Å; C142-C193 HydrophobicContact CB-CB 4.22Å; Q143-C193 HydrophobicContact CB-CB 4.16Å; A189-C193 VanDerWaalsContact O-CB 3.32Å; A189-C193 WeakPolarHBondContact O-CB 3.49Å; A189-C193 PolarHBondContact O-N 2.8Å; A189-C193 PolarHBondContact O-SG 3.4Å; T190-C193 PolarHBondContact O-N 2.8Å; C193-G197 PolarHBondContact O-N 3.43Å
194Y97.2Very high95.6Very high0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-61.8-52.3176.6-175.9-94.2000111.6W33 Y34 V78 L80 Q143 T190 V191 C192 A196 G197 M198 L219W33-Y194 HydrophobicContact CB-CE1 3.95Å; W33-Y194 HydrophobicContact CB-CE2 4.11Å; W33-Y194 WeakPolarHBondContact CB-OH 3.4Å; W33-Y194 HydrophobicContact CD2-CE2 4.5Å; W33-Y194 AromaticContact CE3-CD1 3.93Å; W33-Y194 HydrophobicContact CE3-CD1 3.93Å; W33-Y194 AromaticContact CE3-CD2 3.7Å; W33-Y194 HydrophobicContact CE3-CD2 3.7Å; W33-Y194 HydrophobicContact CE3-CE1 4.16Å; W33-Y194 AromaticContact CE3-CE2 3.96Å; W33-Y194 HydrophobicContact CE3-CE2 3.96Å; W33-Y194 AromaticContact CE3-CG 3.69Å; W33-Y194 HydrophobicContact CE3-CG 3.69Å; W33-Y194 HydrophobicContact CZ3-CD2 4.25Å; W33-Y194 HydrophobicContact CZ3-CG 4.09Å; Y34-Y194 WeakPolarHBondContact CB-OH 3.49Å; V78-Y194 HydrophobicContact CG1-CE2 4.42Å; V78-Y194 VanDerWaalsContact CG1-OH 3.22Å; V78-Y194 WeakPolarHBondContact CG1-OH 3.48Å; L80-Y194 HydrophobicContact CD2-CD2 4.34Å; Q143-Y194 HydrophobicContact CG-CD2 4.36Å; Q143-Y194 VanDerWaalsContact OE1-CD2 3.32Å; T190-Y194 WeakPolarHBondContact O-CB 3.26Å; T190-Y194 PolarHBondContact O-N 2.81Å; V191-Y194 PolarHBondContact O-N 2.87Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 2.71Å; Y194-A196 PolarHBondContact O-N 3.33Å; Y194-G197 PolarHBondContact O-N 3.02Å; Y194-M198 HydrophobicContact CD1-CG 4.12Å; Y194-M198 HydrophobicContact CE1-CG 3.78Å; Y194-M198 HydrophobicContact CE2-CG 4.48Å; Y194-M198 VanDerWaalsContact O-CG 3.29Å; Y194-M198 WeakPolarHBondContact O-CG 3.32Å; Y194-M198 PolarHBondContact O-N 3.07Å; Y194-L219 HydrophobicContact CD1-CD1 3.8Å; Y194-L219 HydrophobicContact CE1-CD1 4.25Å; Y194-L219 HydrophobicContact CG-CD1 4.43Å
195L97.1Very high94.8Very high69 Ų6940.5 Ų40.536%0.36123%0.225SC..Hα-helixtrans-62.1-43.9-179.2-71.1174.2000112.3V191 C192 M198 D199 L215 L219V191-L195 HydrophobicContact CG1-CD1 3.93Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.43Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.29Å; C192-L195 PolarHBondContact O-N 2.85Å; L195-M198 PolarHBondContact O-N 3.37Å; L195-D199 PolarHBondContact O-N 2.95Å; L195-L215 HydrophobicContact CD2-CD1 4.4Å; L195-L215 HydrophobicContact CD2-CD2 3.64Å; L195-L219 HydrophobicContact CD2-CD2 3.94Å
196A97.1Very high93.7Very high38 Ų3844.1 Ų44.131%0.31424%0.242SC..Hα-helixtrans-65-39.917600000111.9L139 C192 Y194 D199 L200L139-A196 HydrophobicContact CD1-CB 4.09Å; L139-A196 HydrophobicContact CD2-CB 4.35Å; C192-A196 VanDerWaalsContact O-CB 3.28Å; C192-A196 WeakPolarHBondContact O-CB 3.15Å; C192-A196 PolarHBondContact O-N 3.32Å; Y194-A196 PolarHBondContact O-N 3.33Å; A196-D199 PolarHBondContact O-N 3.47Å; A196-L200 WeakPolarHBondContact O-CB 3.1Å; A196-L200 WeakPolarHBondContact O-CG 3.21Å; A196-L200 PolarHBondContact O-N 3.44Å
197G94.9Very high92.8Very high10 Ų1045.3 Ų45.310%0.10325%0.247CC..Hα-helixtrans-63-41.2175.900000112.6C193 Y194 L201C193-G197 PolarHBondContact O-N 3.43Å; Y194-G197 PolarHBondContact O-N 3.02Å; G197-L201 WeakPolarHBondContact O-CB 3.35Å; G197-L201 PolarHBondContact O-N 3.21Å
198M93.4Very high91.9Very high9 Ų947.7 Ų47.74%0.04426%0.262CS..Hα-helixtrans-66.1-45.4176-68.2-61.2-62.500112Y34 Y36 Y194 L195 L200 L201 H202Y34-M198 HydrophobicContact CD1-CE 3.72Å; Y34-M198 HydrophobicContact CD2-CE 4.11Å; Y34-M198 HydrophobicContact CE1-CE 4.06Å; Y34-M198 HydrophobicContact CE2-CE 4.42Å; Y34-M198 HydrophobicContact CG-CE 3.76Å; Y36-M198 HydrophobicContact CE2-CE 4.43Å; Y36-M198 WeakPolarHBondContact OH-CE 3.43Å; Y194-M198 HydrophobicContact CD1-CG 4.12Å; Y194-M198 HydrophobicContact CE1-CG 3.78Å; Y194-M198 HydrophobicContact CE2-CG 4.48Å; Y194-M198 VanDerWaalsContact O-CG 3.29Å; Y194-M198 WeakPolarHBondContact O-CG 3.32Å; Y194-M198 PolarHBondContact O-N 3.07Å; L195-M198 PolarHBondContact O-N 3.37Å; M198-L200 VanDerWaalsContact C-N 3.33Å; M198-L200 PolarHBondContact O-N 3.36Å; M198-L201 PolarHBondContact O-N 2.99Å; M198-H202 PolarHBondContact O-N 3.04Å; M198-H202 PolarHBondContact O-ND1 3.31Å
199D93.6Very high90.7Very high72 Ų7251.8 Ų51.839%0.38528%0.284SS..Hα-helixtrans-59-44.2175.8178.153.9000111.5L195 A196 H202 R203L195-D199 PolarHBondContact O-N 2.95Å; A196-D199 PolarHBondContact O-N 3.47Å; D199-H202 PolarHBondContact O-N 2.76Å; D199-R203 VanDerWaalsContact O-CG 3.28Å; D199-R203 WeakPolarHBondContact O-CG 3.31Å; D199-R203 PolarHBondContact O-N 3.34Å; D199-R203 VanDerWaalsContact O-N 3.08Å; D199-R203 IonicContact OD1-CZ 3.83Å; D199-R203 IonicContact OD1-NE 3.24Å; D199-R203 PolarHBondContact OD1-NE 3.02Å; D199-R203 IonicContact OD1-NH2 3.5Å; D199-R203 IonicContact OD2-CZ 3.19Å; D199-R203 IonicContact OD2-NE 3.12Å; D199-R203 PolarHBondContact OD2-NE 2.64Å; D199-R203 VanDerWaalsContact OD2-NE 3.12Å; D199-R203 IonicContact OD2-NH2 2.76Å; D199-R203 PolarHBondContact OD2-NH2 3.18Å
200L93.5Very high89.8Confident40 Ų4056.8 Ų56.821%0.20930%0.299CS..Hα-helixtrans-64.1-43.2175.5-72172.7000112.3L135 L139 A196 M198 H202 R203 V204L135-L200 HydrophobicContact CD2-CD1 3.86Å; L135-L200 HydrophobicContact CG-CD1 4.05Å; L139-L200 HydrophobicContact CD1-CD1 3.53Å; A196-L200 WeakPolarHBondContact O-CB 3.1Å; A196-L200 WeakPolarHBondContact O-CG 3.21Å; A196-L200 PolarHBondContact O-N 3.44Å; M198-L200 VanDerWaalsContact C-N 3.33Å; M198-L200 PolarHBondContact O-N 3.36Å; L200-H202 VanDerWaalsContact C-N 3.35Å; L200-H202 PolarHBondContact O-N 3.33Å; L200-R203 PolarHBondContact O-N 3.14Å; L200-V204 WeakPolarHBondContact O-CG2 2.96Å; L200-V204 PolarHBondContact O-N 2.97Å
201L91.4Very high89.2Confident12 Ų1257.6 Ų57.66%0.06330%0.304CS..Hα-helixtrans-57.8-49.7176.4177.863.2000110.4E64 G197 M198 R203 V204 S205E64-L201 HydrophobicContact CG-CD1 4.49Å; G197-L201 WeakPolarHBondContact O-CB 3.35Å; G197-L201 PolarHBondContact O-N 3.21Å; M198-L201 PolarHBondContact O-N 2.99Å; L201-R203 VanDerWaalsContact C-N 3.31Å; L201-R203 PolarHBondContact O-N 2.82Å; L201-V204 PolarHBondContact O-N 3.43Å; L201-V204 VanDerWaalsContact O-N 3.14Å; L201-S205 WeakPolarHBondContact O-CB 3.32Å; L201-S205 PolarHBondContact O-N 3.3Å; L201-S205 PolarHBondContact O-OG 2.9Å
202H90.8Very high88.6Confident38 Ų3862.8 Ų62.818%0.17633%0.332CS..Hα-helixtrans-61.9-36.3-178.6-65.9159.9000113.4Y34 Y36 M198 D199 L200 V204 M206 L207Y34-H202 AromaticContact CE1-CE1 3.98Å; Y34-H202 AromaticContact CZ-CE1 3.6Å; Y34-H202 PolarHBondContact OH-CE1 3.19Å; Y34-H202 VanDerWaalsContact OH-CE1 3.24Å; Y36-H202 AromaticContact CE1-NE2 3.48Å; Y36-H202 WeakPolarHBondContact CE1-NE2 3.28Å; Y36-H202 AromaticContact CZ-NE2 3.57Å; Y36-H202 PolarHBondContact OH-NE2 3.42Å; M198-H202 PolarHBondContact O-N 3.04Å; M198-H202 PolarHBondContact O-ND1 3.31Å; D199-H202 PolarHBondContact O-N 2.76Å; L200-H202 VanDerWaalsContact C-N 3.35Å; L200-H202 PolarHBondContact O-N 3.33Å; H202-V204 VanDerWaalsContact C-N 3.34Å; H202-M206 PolarHBondContact O-N 2.99Å; H202-L207 HydrophobicContact CB-CD1 3.67Å; H202-L207 WeakPolarHBondContact CD2-CD1 3.24Å
203R89Confident88.2Confident173 Ų17361 Ų6165%0.65333%0.325SS*.Hα-helixtrans-66.6-36175.8-72.4174.9-168.7-153.87.8112.7D199 L200 L201D199-R203 VanDerWaalsContact O-CG 3.28Å; D199-R203 WeakPolarHBondContact O-CG 3.31Å; D199-R203 PolarHBondContact O-N 3.34Å; D199-R203 VanDerWaalsContact O-N 3.08Å; D199-R203 IonicContact OD1-CZ 3.83Å; D199-R203 IonicContact OD1-NE 3.24Å; D199-R203 PolarHBondContact OD1-NE 3.02Å; D199-R203 IonicContact OD1-NH2 3.5Å; D199-R203 IonicContact OD2-CZ 3.19Å; D199-R203 IonicContact OD2-NE 3.12Å; D199-R203 PolarHBondContact OD2-NE 2.64Å; D199-R203 VanDerWaalsContact OD2-NE 3.12Å; D199-R203 IonicContact OD2-NH2 2.76Å; D199-R203 PolarHBondContact OD2-NH2 3.18Å; L200-R203 PolarHBondContact O-N 3.14Å; L201-R203 VanDerWaalsContact C-N 3.31Å; L201-R203 PolarHBondContact O-N 2.82Å
204V88.1Confident88Confident59 Ų5962.9 Ų62.936%0.35834%0.339SS..Hα-helixtrans-87.2-39.1-175.4177.90000111.7K123 P125 L200 L201 H202 M206K123-V204 WeakPolarHBondContact O-CG1 3.14Å; P125-V204 VanDerWaalsContact CD-CG1 3.4Å; P125-V204 HydrophobicContact CG-CG1 3.86Å; L200-V204 WeakPolarHBondContact O-CG2 2.96Å; L200-V204 PolarHBondContact O-N 2.97Å; L201-V204 PolarHBondContact O-N 3.43Å; L201-V204 VanDerWaalsContact O-N 3.14Å; H202-V204 VanDerWaalsContact C-N 3.34Å; V204-M206 VanDerWaalsContact C-N 3.33Å; V204-M206 PolarHBondContact O-N 3.12Å
205S81.5Confident87.9Confident27 Ų2766 Ų6619%0.18936%0.355CS..Hα-helixtrans-80-12.6-176.867.10000114.1F72 L201F72-S205 WeakPolarHBondContact CE2-OG 3.15Å; L201-S205 WeakPolarHBondContact O-CB 3.32Å; L201-S205 PolarHBondContact O-N 3.3Å; L201-S205 PolarHBondContact O-OG 2.9Å
206M75.5Confident87.8Confident155 Ų15563 Ų6376%0.76434%0.341SS*.THydrogen-bonded Turntrans47.496.2-169.4-65.5-161.4-174.800112.3H202 V204H202-M206 PolarHBondContact O-N 2.99Å; V204-M206 VanDerWaalsContact C-N 3.33Å; V204-M206 PolarHBondContact O-N 3.12Å
207L78.4Confident87.8Confident49 Ų4967.3 Ų67.326%0.25735%0.349SS..PPolyproline II helixtrans-54.6130.8177.3-99.467.1000110.6Y36 F72 H202 V211Y36-L207 HydrophobicContact CE1-CD2 4.36Å; F72-L207 HydrophobicContact CE2-CD1 4.4Å; F72-L207 HydrophobicContact CZ-CD1 4.25Å; H202-L207 HydrophobicContact CB-CD1 3.67Å; H202-L207 WeakPolarHBondContact CD2-CD1 3.24Å; L207-V211 HydrophobicContact CD2-CG1 4.37Å
208P79.2Confident87.9Confident50 Ų5066.8 Ų66.833%0.32534%0.344SS..PPolyproline II helixtrans-56.4146.7175.7-2331.8000111.1F72 K210 V211F72-P208 HydrophobicContact CB-CG 4.28Å; F72-P208 HydrophobicContact CD2-CG 4.49Å; P208-K210 PolarHBondContact O-N 3.49Å; P208-V211 HydrophobicContact CB-CG2 3.92Å; P208-V211 HydrophobicContact CG-CG2 4.23Å; P208-V211 WeakPolarHBondContact O-CB 3.41Å; P208-V211 PolarHBondContact O-N 3.15Å
209D73.4Confident88.1Confident153 Ų15366.6 Ų66.682%0.81834%0.343SS*.THydrogen-bonded Turntrans-52.3135.9179.1-72.7-37.2000110.7V211D209-V211 VanDerWaalsContact C-N 3.27Å; D209-V211 PolarHBondContact O-N 3.06Å
210K79.3Confident88.3Confident143 Ų14368.6 Ų68.662%0.62235%0.346SS*.THydrogen-bonded Turntrans72.22.1-179.9-38.1166.9-179.5170.50115.6P39 P208 D212P39-K210 WeakPolarHBondContact CD-O 3.41Å; P39-K210 HydrophobicContact CG-CB 3.25Å; P39-K210 HydrophobicContact CG-CD 3.99Å; P39-K210 HydrophobicContact CG-CG 4.27Å; P39-K210 VanDerWaalsContact CG-O 3.26Å; P39-K210 WeakPolarHBondContact CG-O 3.27Å; P208-K210 PolarHBondContact O-N 3.49Å; K210-D212 PolarHBondContact O-N 2.9Å
211V85.1Confident88.5Confident17 Ų1768.4 Ų68.410%0.10335%0.345CS..  trans-78.4116.7170.5177.50000109.8Y36 F72 L207 P208 D209Y36-V211 HydrophobicContact CD1-CG1 4.17Å; F72-V211 HydrophobicContact CB-CG1 4.39Å; L207-V211 HydrophobicContact CD2-CG1 4.37Å; P208-V211 HydrophobicContact CB-CG2 3.92Å; P208-V211 HydrophobicContact CG-CG2 4.23Å; P208-V211 WeakPolarHBondContact O-CB 3.41Å; P208-V211 PolarHBondContact O-N 3.15Å; D209-V211 VanDerWaalsContact C-N 3.27Å; D209-V211 PolarHBondContact O-N 3.06Å
212D86.4Confident88.8Confident114 Ų11467.9 Ų67.961%0.6134%0.342SS*.EExtended strand (participates in β ladder)trans-97143.2175.4-68.9-38000110.8Y36 S37 K210Y36-D212 CarbonylContact C-O 3.58Å; Y36-D212 WeakPolarHBondContact CA-O 3.37Å; S37-D212 PolarHBondContact N-O 3.4Å; S37-D212 PolarHBondContact O-N 2.94Å; K210-D212 PolarHBondContact O-N 2.9Å
213G89.2Confident89.1Confident34 Ų3469.5 Ų69.535%0.35135%0.352SS..EExtended strand (participates in β ladder)trans-119.9137.9175.600000111.7Y34 Q35Y34-G213 VanDerWaalsContact OH-C 3.29Å; Y34-G213 WeakPolarHBondContact OH-CA 3.49Å; Q35-G213 WeakPolarHBondContact O-CA 3.41Å
214S93.4Very high89.6Confident59 Ų5965.1 Ų65.141%0.41334%0.34SS..EExtended strand (participates in β ladder)trans-134.2147.3-177.658.40000111.4Y34 Q35Y34-S214 WeakPolarHBondContact CA-O 3.24Å; Q35-S214 PolarHBondContact N-O 2.87Å; Q35-S214 PolarHBondContact O-N 3.23Å; Q35-S214 PolarHBondContact O-OG 3.48Å
215L96Very high90Very high66 Ų6662.3 Ų62.335%0.34632%0.323SS..EExtended strand (participates in β ladder)trans-71.8133174.6-56.4-177.2000109.5Y34 L195 L219 Y220Y34-L215 HydrophobicContact CD2-CD2 3.75Å; Y34-L215 HydrophobicContact CE2-CD2 3.81Å; L195-L215 HydrophobicContact CD2-CD1 4.4Å; L195-L215 HydrophobicContact CD2-CD2 3.64Å; L215-L219 HydrophobicContact CB-CD2 4.09Å; L215-L219 HydrophobicContact CD1-CD2 4.1Å; L215-L219 HydrophobicContact CD2-CD2 3.74Å; L215-L219 HydrophobicContact CG-CD2 4.18Å; L215-Y220 HydrophobicContact CB-CE2 4.07Å
216G95.1Very high90.8Very high6 Ų661.1 Ų61.16%0.06232%0.315CS..  trans-86.3161178.800000112.8H32 W33 S218 L219 Y220H32-G216 CarbonylContact O-C 3.5Å; H32-G216 WeakPolarHBondContact O-CA 3.15Å; W33-G216 PolarHBondContact O-N 2.94Å; G216-S218 PolarHBondContact O-N 2.99Å; G216-L219 WeakPolarHBondContact O-CB 3.48Å; G216-L219 PolarHBondContact O-N 3.09Å; G216-Y220 WeakPolarHBondContact O-CD2 3.28Å
217W96.6Very high91.9Very high127 Ų12756.7 Ų56.748%0.48130%0.298SS..Hα-helixtrans-60.1-31.1-174.860.9-96.2000113.5V26 T30 H32 L219 Y220 L221V26-W217 HydrophobicContact CG1-CH2 4.1Å; V26-W217 HydrophobicContact CG1-CZ3 3.88Å; T30-W217 HydrophobicContact CG2-CH2 3.69Å; T30-W217 HydrophobicContact CG2-CZ2 4.2Å; H32-W217 HydrophobicContact CB-CD2 4.38Å; H32-W217 HydrophobicContact CB-CG 4.42Å; H32-W217 HydrophobicContact CB-CZ2 4.23Å; H32-W217 VanDerWaalsContact CB-NE1 3.31Å; H32-W217 AromaticContact CD2-CE2 3.78Å; H32-W217 AromaticContact CD2-CZ2 3.69Å; H32-W217 AromaticContact CD2-NE1 3.4Å; H32-W217 PolarHBondContact CD2-NE1 3.45Å; H32-W217 AromaticContact CG-CE2 3.97Å; H32-W217 AromaticContact CG-NE1 3.34Å; H32-W217 VanDerWaalsContact CG-NE1 3.34Å; H32-W217 PolarHBondContact O-N 2.96Å; W217-L219 VanDerWaalsContact C-N 3.34Å; W217-Y220 WeakPolarHBondContact O-CB 3.5Å; W217-Y220 PolarHBondContact O-N 3.45Å; W217-L221 HydrophobicContact CE3-CD1 3.76Å; W217-L221 HydrophobicContact CE3-CG 4.33Å; W217-L221 HydrophobicContact CZ3-CD1 3.53Å; W217-L221 PolarHBondContact O-N 2.94Å
218S97Very high92.9Very high0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-75-27.4-175.778.40000112.1A27 T30 H32 W33 G216 Y220 L221 A222A27-S218 WeakPolarHBondContact CB-O 3.29Å; T30-S218 WeakPolarHBondContact OG1-CB 3.39Å; T30-S218 PolarHBondContact OG1-OG 2.66Å; H32-S218 PolarHBondContact O-N 3.14Å; H32-S218 PolarHBondContact O-OG 3.3Å; W33-S218 PolarHBondContact N-OG 2.98Å; W33-S218 PolarHBondContact NE1-OG 3.13Å; G216-S218 PolarHBondContact O-N 2.99Å; S218-Y220 VanDerWaalsContact C-N 3.31Å; S218-Y220 PolarHBondContact O-N 3.27Å; S218-L221 WeakPolarHBondContact O-CB 3.23Å; S218-L221 PolarHBondContact O-N 2.77Å; S218-A222 PolarHBondContact O-N 3.41Å; S218-A222 VanDerWaalsContact O-N 3.13Å
219L97.3Very high93.8Very high5 Ų553.4 Ų53.43%0.02628%0.278CS..Hα-helixtrans-62.5-40.6170.2-174.674.3000111W33 V191 Y194 L195 L215 G216 W217 L221 A222 L223W33-L219 HydrophobicContact CB-CB 4.49Å; W33-L219 HydrophobicContact CD2-CD1 4.03Å; W33-L219 HydrophobicContact CE3-CD1 3.26Å; W33-L219 HydrophobicContact CZ3-CD1 3.57Å; V191-L219 HydrophobicContact CG1-CD1 4.19Å; V191-L219 HydrophobicContact CG2-CD1 4.42Å; Y194-L219 HydrophobicContact CD1-CD1 3.8Å; Y194-L219 HydrophobicContact CE1-CD1 4.25Å; Y194-L219 HydrophobicContact CG-CD1 4.43Å; L195-L219 HydrophobicContact CD2-CD2 3.94Å; L215-L219 HydrophobicContact CB-CD2 4.09Å; L215-L219 HydrophobicContact CD1-CD2 4.1Å; L215-L219 HydrophobicContact CD2-CD2 3.74Å; L215-L219 HydrophobicContact CG-CD2 4.18Å; G216-L219 WeakPolarHBondContact O-CB 3.48Å; G216-L219 PolarHBondContact O-N 3.09Å; W217-L219 VanDerWaalsContact C-N 3.34Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.36Å; L219-A222 WeakPolarHBondContact O-CB 3.31Å; L219-A222 PolarHBondContact O-N 3.36Å; L219-L223 PolarHBondContact O-N 2.87Å
220Y97.9Very high95Very high114 Ų11449.3 Ų49.345%0.44726%0.255SS..Hα-helixtrans-64.8-35.1176.1-66.4-73.4000112L215 G216 W217 S218 L223 I224L215-Y220 HydrophobicContact CB-CE2 4.07Å; G216-Y220 WeakPolarHBondContact O-CD2 3.28Å; W217-Y220 WeakPolarHBondContact O-CB 3.5Å; W217-Y220 PolarHBondContact O-N 3.45Å; S218-Y220 VanDerWaalsContact C-N 3.31Å; S218-Y220 PolarHBondContact O-N 3.27Å; Y220-L223 PolarHBondContact O-N 3.01Å; Y220-I224 WeakPolarHBondContact O-CB 3.06Å; Y220-I224 WeakPolarHBondContact O-CD1 3.31Å; Y220-I224 WeakPolarHBondContact O-CG1 3.29Å; Y220-I224 PolarHBondContact O-N 3.15Å
221L98.2Very high95.9Very high36 Ų3647.4 Ų47.419%0.18825%0.249CC..Hα-helixtrans-62.9-43.6172.9-65.8-177.9000111.9Y23 V26 A27 W217 S218 L219 L223 I224 S225Y23-L221 HydrophobicContact CD1-CD2 4.29Å; Y23-L221 HydrophobicContact CD2-CD2 4.21Å; Y23-L221 HydrophobicContact CE1-CD2 4.48Å; Y23-L221 HydrophobicContact CE2-CD2 4.4Å; Y23-L221 HydrophobicContact CG-CD2 4.15Å; V26-L221 HydrophobicContact CB-CD1 4.36Å; V26-L221 HydrophobicContact CG1-CD1 3.83Å; A27-L221 HydrophobicContact CB-CB 4.29Å; W217-L221 HydrophobicContact CE3-CD1 3.76Å; W217-L221 HydrophobicContact CE3-CG 4.33Å; W217-L221 HydrophobicContact CZ3-CD1 3.53Å; W217-L221 PolarHBondContact O-N 2.94Å; S218-L221 WeakPolarHBondContact O-CB 3.23Å; S218-L221 PolarHBondContact O-N 2.77Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.36Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.9Å; L221-I224 PolarHBondContact O-N 3.21Å; L221-S225 WeakPolarHBondContact O-CB 3.39Å; L221-S225 PolarHBondContact O-N 3.13Å; L221-S225 PolarHBondContact O-OG 3.38Å
222A97.6Very high96.5Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-59.8-46172.700000110.9A27 W33 T187 V191 S218 L219 I224 S225 S226A27-A222 HydrophobicContact CB-CB 3.8Å; W33-A222 HydrophobicContact CH2-CB 3.95Å; W33-A222 HydrophobicContact CZ2-CB 4.15Å; T187-A222 VanDerWaalsContact CG2-O 3.31Å; T187-A222 WeakPolarHBondContact CG2-O 3.45Å; V191-A222 HydrophobicContact CG2-CB 3.91Å; S218-A222 PolarHBondContact O-N 3.41Å; S218-A222 VanDerWaalsContact O-N 3.13Å; L219-A222 WeakPolarHBondContact O-CB 3.31Å; L219-A222 PolarHBondContact O-N 3.36Å; A222-I224 VanDerWaalsContact C-N 3.35Å; A222-I224 PolarHBondContact O-N 2.85Å; A222-S225 PolarHBondContact O-N 3.3Å; A222-S225 PolarHBondContact O-OG 3.37Å; A222-S226 PolarHBondContact O-N 2.73Å
223L97.6Very high97Very high72 Ų7241.3 Ų41.338%0.37722%0.216SC..Hα-helixtrans-60.4-41.4178.5-177.162.8000112.6L188 V191 L219 Y220 L221 P227L188-L223 HydrophobicContact CD1-CD1 4.45Å; V191-L223 HydrophobicContact CG1-CD1 4.23Å; L219-L223 PolarHBondContact O-N 2.87Å; Y220-L223 PolarHBondContact O-N 3.01Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.9Å; L223-P227 WeakPolarHBondContact O-CD 3.48Å
224I98.3Very high97.4Very high81 Ų8142.6 Ų42.642%0.41522%0.224SC..Hα-helixtrans-73.3-32.1178.3-67.5164.4000111.5Y23 Y220 L221 A222 S226 P227 L228Y23-I224 HydrophobicContact CD2-CB 4.48Å; Y23-I224 HydrophobicContact CD2-CG2 4.01Å; Y23-I224 HydrophobicContact CE2-CG2 3.97Å; Y220-I224 WeakPolarHBondContact O-CB 3.06Å; Y220-I224 WeakPolarHBondContact O-CD1 3.31Å; Y220-I224 WeakPolarHBondContact O-CG1 3.29Å; Y220-I224 PolarHBondContact O-N 3.15Å; L221-I224 PolarHBondContact O-N 3.21Å; A222-I224 VanDerWaalsContact C-N 3.35Å; A222-I224 PolarHBondContact O-N 2.85Å; I224-S226 VanDerWaalsContact C-N 3.29Å; I224-S226 PolarHBondContact O-N 2.77Å; I224-P227 WeakPolarHBondContact O-CD 3.49Å; I224-P227 VanDerWaalsContact O-CG 3.26Å; I224-P227 WeakPolarHBondContact O-CG 3.43Å; I224-L228 HydrophobicContact CG2-CD1 3.96Å; I224-L228 HydrophobicContact CG2-CG 4.38Å; I224-L228 WeakPolarHBondContact O-CG 3.46Å; I224-L228 PolarHBondContact O-N 3.32Å
225S98.2Very high97.6Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-64.6-32179.669.80000113.3A20 T187 L221 A222 L228 H229A20-S225 VanDerWaalsContact O-CB 3.32Å; A20-S225 WeakPolarHBondContact O-CB 3.28Å; T187-S225 WeakPolarHBondContact CG2-OG 3.5Å; L221-S225 WeakPolarHBondContact O-CB 3.39Å; L221-S225 PolarHBondContact O-N 3.13Å; L221-S225 PolarHBondContact O-OG 3.38Å; A222-S225 PolarHBondContact O-N 3.3Å; A222-S225 PolarHBondContact O-OG 3.37Å; S225-L228 PolarHBondContact O-N 3.39Å; S225-H229 PolarHBondContact O-CD2 2.99Å; S225-H229 PolarHBondContact O-N 2.68Å
226S98Very high97.5Very high2 Ų239.5 Ų39.51%0.01420%0.203CC..Hα-helixtrans-58.7-58.5177.5172.10000113.4G184 L188 A222 I224 L228 H229 M230G184-S226 WeakPolarHBondContact O-CB 3.48Å; G184-S226 PolarHBondContact O-OG 2.92Å; L188-S226 WeakPolarHBondContact CB-OG 3.44Å; A222-S226 PolarHBondContact O-N 2.73Å; I224-S226 VanDerWaalsContact C-N 3.29Å; I224-S226 PolarHBondContact O-N 2.77Å; S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 3.06Å; S226-H229 PolarHBondContact O-N 2.89Å; S226-M230 WeakPolarHBondContact O-CG 3.45Å; S226-M230 PolarHBondContact O-N 3.34Å
227P98.3Very high97.5Very high63 Ų6341.1 Ų41.141%0.40921%0.211SC..Hα-helixtrans-62.8-31.5178.323.6-33.1000112.5L223 I224 M230 M231L223-P227 WeakPolarHBondContact O-CD 3.48Å; I224-P227 WeakPolarHBondContact O-CD 3.49Å; I224-P227 VanDerWaalsContact O-CG 3.26Å; I224-P227 WeakPolarHBondContact O-CG 3.43Å; P227-M230 PolarHBondContact O-N 3Å; P227-M231 WeakPolarHBondContact O-CB 3.47Å; P227-M231 VanDerWaalsContact O-CG 3.23Å; P227-M231 WeakPolarHBondContact O-CG 3.2Å; P227-M231 PolarHBondContact O-N 2.85Å
228L98.5Very high97.3Very high29 Ų2940.9 Ų40.915%0.15221%0.211CC..Hα-helixtrans-63-44.8174.4-67.4173.8000112L16 A20 Y23 I224 S225 S226 M231 A232L16-L228 HydrophobicContact CD2-CD2 3.7Å; A20-L228 HydrophobicContact CB-CB 3.64Å; A20-L228 HydrophobicContact CB-CD1 4.35Å; Y23-L228 HydrophobicContact CD2-CD1 4.06Å; Y23-L228 HydrophobicContact CE2-CD1 4.19Å; I224-L228 HydrophobicContact CG2-CD1 3.96Å; I224-L228 HydrophobicContact CG2-CG 4.38Å; I224-L228 WeakPolarHBondContact O-CG 3.46Å; I224-L228 PolarHBondContact O-N 3.32Å; S225-L228 PolarHBondContact O-N 3.39Å; S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 3.06Å; L228-M231 PolarHBondContact O-N 2.94Å; L228-A232 WeakPolarHBondContact O-CB 3.26Å; L228-A232 PolarHBondContact O-N 2.63Å
229H98.3Very high97Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-62.4-41.2172.8-78.9-53.5000112.1A20 V154 H180 S225 S226 A232 A233A20-H229 VanDerWaalsContact CB-CE1 3.41Å; A20-H229 WeakPolarHBondContact CB-CE1 3.4Å; A20-H229 WeakPolarHBondContact CB-NE2 3.41Å; V154-H229 WeakPolarHBondContact CG2-CE1 2.97Å; H180-H229 AromaticContact CD2-ND1 3.97Å; S225-H229 PolarHBondContact O-CD2 2.99Å; S225-H229 PolarHBondContact O-N 2.68Å; S226-H229 PolarHBondContact O-N 2.89Å; H229-A232 PolarHBondContact O-N 3.12Å; H229-A233 WeakPolarHBondContact O-CB 3.17Å; H229-A233 PolarHBondContact O-N 3.29Å
230M98.2Very high96.7Very high67 Ų6741.5 Ų41.533%0.3322%0.216SC..Hα-helixtrans-67.4-36.1178-64177.578.600112.6L181 L185 S226 P227 A233 A234L181-M230 HydrophobicContact CD1-CE 4.01Å; L181-M230 HydrophobicContact CD1-CG 4.25Å; L185-M230 HydrophobicContact CD2-CE 4.39Å; S226-M230 WeakPolarHBondContact O-CG 3.45Å; S226-M230 PolarHBondContact O-N 3.34Å; P227-M230 PolarHBondContact O-N 3Å; M230-A233 WeakPolarHBondContact O-CB 3.47Å; M230-A233 PolarHBondContact O-N 2.78Å; M230-A234 WeakPolarHBondContact O-CB 3.45Å; M230-A234 PolarHBondContact O-N 3.16Å
231M98.1Very high96.2Very high103 Ų10343.9 Ų43.951%0.50723%0.225SC..Hα-helixtrans-67-44173.4-74.4175.867.300111.4L16 P227 L228 A233 A234 L235L16-M231 HydrophobicContact CD1-CB 3.95Å; L16-M231 HydrophobicContact CD1-CE 4.4Å; P227-M231 WeakPolarHBondContact O-CB 3.47Å; P227-M231 VanDerWaalsContact O-CG 3.23Å; P227-M231 WeakPolarHBondContact O-CG 3.2Å; P227-M231 PolarHBondContact O-N 2.85Å; L228-M231 PolarHBondContact O-N 2.94Å; M231-A233 VanDerWaalsContact C-N 3.29Å; M231-A233 PolarHBondContact O-N 3.47Å; M231-A234 PolarHBondContact O-N 3.26Å; M231-L235 WeakPolarHBondContact O-CG 3.43Å; M231-L235 PolarHBondContact O-N 2.76Å
232A97.9Very high95.5Very high0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-58-44.5172.700000111A13 L16 L228 H229 A234 L235 L236A13-A232 HydrophobicContact CB-CB 4.33Å; A13-A232 WeakPolarHBondContact O-CB 3.35Å; L16-A232 HydrophobicContact CB-CB 4.12Å; L228-A232 WeakPolarHBondContact O-CB 3.26Å; L228-A232 PolarHBondContact O-N 2.63Å; H229-A232 PolarHBondContact O-N 3.12Å; A232-A234 PolarHBondContact O-N 2.87Å; A232-L235 PolarHBondContact O-N 3.17Å; A232-L236 WeakPolarHBondContact O-CB 3.42Å; A232-L236 WeakPolarHBondContact O-CD1 3.5Å; A232-L236 VanDerWaalsContact O-CG 3.24Å; A232-L236 WeakPolarHBondContact O-CG 3.32Å; A232-L236 PolarHBondContact O-N 3.21Å
233A97.8Very high94.6Very high3 Ų347.8 Ų47.83%0.02525%0.246CC..Hα-helixtrans-58-48.617500000112.4G177 H180 L181 H229 M230 M231 L235 L236 V237G177-A233 WeakPolarHBondContact O-CB 3.45Å; H180-A233 HydrophobicContact CB-CB 3.78Å; L181-A233 HydrophobicContact CB-CB 3.86Å; H229-A233 WeakPolarHBondContact O-CB 3.17Å; H229-A233 PolarHBondContact O-N 3.29Å; M230-A233 WeakPolarHBondContact O-CB 3.47Å; M230-A233 PolarHBondContact O-N 2.78Å; M231-A233 VanDerWaalsContact C-N 3.29Å; M231-A233 PolarHBondContact O-N 3.47Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 2.92Å; A233-L236 PolarHBondContact O-N 3.3Å; A233-V237 WeakPolarHBondContact O-CB 3.42Å; A233-V237 VanDerWaalsContact O-CG2 3.27Å; A233-V237 WeakPolarHBondContact O-CG2 3.43Å; A233-V237 PolarHBondContact O-N 2.89Å
234A97.4Very high93.6Very high62 Ų6247.7 Ų47.751%0.51225%0.251SS..Hα-helixtrans-59.8-43.6179.800000111.9M230 M231 A232 W238M230-A234 WeakPolarHBondContact O-CB 3.45Å; M230-A234 PolarHBondContact O-N 3.16Å; M231-A234 PolarHBondContact O-N 3.26Å; A232-A234 PolarHBondContact O-N 2.87Å; A234-W238 WeakPolarHBondContact O-CB 3.47Å; A234-W238 PolarHBondContact O-N 2.68Å
235L96.4Very high92.6Very high47 Ų4749.7 Ų49.725%0.24626%0.258CS..Hα-helixtrans-63.3-42.8176.3-71.4171.2000112.2A9 I12 A13 L16 M231 A232 A233 W238 A239A9-L235 HydrophobicContact CB-CD2 4.48Å; I12-L235 HydrophobicContact CB-CD1 4.03Å; I12-L235 HydrophobicContact CG2-CD1 3.51Å; A13-L235 HydrophobicContact CB-CB 4.03Å; A13-L235 HydrophobicContact CB-CD1 4.34Å; L16-L235 HydrophobicContact CD1-CD1 3.9Å; M231-L235 WeakPolarHBondContact O-CG 3.43Å; M231-L235 PolarHBondContact O-N 2.76Å; A232-L235 PolarHBondContact O-N 3.17Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 2.92Å; L235-W238 PolarHBondContact O-N 3.29Å; L235-A239 VanDerWaalsContact O-CB 3.24Å; L235-A239 WeakPolarHBondContact O-CB 3.44Å; L235-A239 PolarHBondContact O-N 3.37Å
236L94.9Very high91.2Very high12 Ų1252.4 Ų52.46%0.06327%0.273CS..Hα-helixtrans-66.3-44.9178.1-70.8166.6000112.1L10 A13 T173 I176 A232 A233 W238 A239 A240L10-L236 HydrophobicContact CD2-CD2 3.79Å; A13-L236 HydrophobicContact CB-CD1 4.43Å; A13-L236 HydrophobicContact CB-CD2 4.06Å; A13-L236 HydrophobicContact CB-CG 3.84Å; T173-L236 HydrophobicContact CG2-CB 4.31Å; T173-L236 HydrophobicContact CG2-CD2 3.93Å; T173-L236 WeakPolarHBondContact CG2-O 3.29Å; I176-L236 HydrophobicContact CG2-CD1 3.77Å; A232-L236 WeakPolarHBondContact O-CB 3.42Å; A232-L236 WeakPolarHBondContact O-CD1 3.5Å; A232-L236 VanDerWaalsContact O-CG 3.24Å; A232-L236 WeakPolarHBondContact O-CG 3.32Å; A232-L236 PolarHBondContact O-N 3.21Å; A233-L236 PolarHBondContact O-N 3.3Å; L236-W238 VanDerWaalsContact C-N 3.34Å; L236-W238 PolarHBondContact O-N 3.06Å; L236-A239 PolarHBondContact O-N 3.39Å; L236-A240 WeakPolarHBondContact O-CB 3.4Å; L236-A240 PolarHBondContact O-N 2.95Å
237V94.2Very high89.8Confident40 Ų4060 Ų6024%0.24230%0.302CS..Hα-helixtrans-63-43.3176.5172.20000110.5L174 A233 A240 R241L174-V237 HydrophobicContact CD1-CB 4.48Å; L174-V237 HydrophobicContact CD1-CG1 4.1Å; L174-V237 HydrophobicContact CD1-CG2 4.19Å; A233-V237 WeakPolarHBondContact O-CB 3.42Å; A233-V237 VanDerWaalsContact O-CG2 3.27Å; A233-V237 WeakPolarHBondContact O-CG2 3.43Å; A233-V237 PolarHBondContact O-N 2.89Å; V237-A240 PolarHBondContact O-N 2.92Å; V237-R241 WeakPolarHBondContact O-CG 2.94Å; V237-R241 PolarHBondContact O-N 2.84Å
238W93.9Very high88.2Confident123 Ų12365.8 Ų65.847%0.46632%0.317SS..Hα-helixtrans-60.4-48.1174.9173.984.8000111.5R5 A9 A234 L235 L236 A240 R241 S242R5-W238 HydrophobicContact CB-CH2 4.25Å; A9-W238 HydrophobicContact CB-CE3 3.9Å; A9-W238 HydrophobicContact CB-CZ3 3.58Å; A234-W238 WeakPolarHBondContact O-CB 3.47Å; A234-W238 PolarHBondContact O-N 2.68Å; L235-W238 PolarHBondContact O-N 3.29Å; L236-W238 VanDerWaalsContact C-N 3.34Å; L236-W238 PolarHBondContact O-N 3.06Å; W238-A240 VanDerWaalsContact C-N 3.33Å; W238-A240 PolarHBondContact O-N 3.42Å; W238-R241 PolarHBondContact O-N 3.23Å; W238-S242 WeakPolarHBondContact O-CB 3.28Å; W238-S242 PolarHBondContact O-N 2.98Å
239A90.9Very high86.5Confident0 Ų072.2 Ų72.20%034%0.339CS..Hα-helixtrans-60.7-41.9179.300000111.6Y6 L235 L236 H243Y6-A239 HydrophobicContact CD2-CB 3.81Å; Y6-A239 HydrophobicContact CE2-CB 3.77Å; L235-A239 VanDerWaalsContact O-CB 3.24Å; L235-A239 WeakPolarHBondContact O-CB 3.44Å; L235-A239 PolarHBondContact O-N 3.37Å; L236-A239 PolarHBondContact O-N 3.39Å; A239-H243 WeakPolarHBondContact O-CB 3.25Å; A239-H243 PolarHBondContact O-N 3.48Å
240A89.9Confident85Confident18 Ų1878.3 Ų78.315%0.14937%0.369CS..Hα-helixtrans-63.8-45.5176.700000112.5T173 L174 L236 V237 W238 H243 S244T173-A240 HydrophobicContact CG2-CB 4.15Å; L174-A240 HydrophobicContact CB-CB 3.89Å; L236-A240 WeakPolarHBondContact O-CB 3.4Å; L236-A240 PolarHBondContact O-N 2.95Å; V237-A240 PolarHBondContact O-N 2.92Å; W238-A240 VanDerWaalsContact C-N 3.33Å; W238-A240 PolarHBondContact O-N 3.42Å; A240-H243 PolarHBondContact O-N 3.14Å; A240-S244 PolarHBondContact O-N 3.35Å; A240-S244 VanDerWaalsContact O-N 3.16Å
241R87.1Confident83.5Confident164 Ų16478.1 Ų78.162%0.61937%0.372SS*.Hα-helixtrans-69.2-40.5179.1-74.6-173.8173.8-173.4-0.6112.7V237 W238 H243 S244 Q245V237-R241 WeakPolarHBondContact O-CG 2.94Å; V237-R241 PolarHBondContact O-N 2.84Å; W238-R241 PolarHBondContact O-N 3.23Å; R241-H243 VanDerWaalsContact C-N 3.31Å; R241-H243 PolarHBondContact O-N 3.18Å; R241-S244 PolarHBondContact O-N 3.44Å; R241-S244 PolarHBondContact O-OG 3.08Å; R241-Q245 WeakPolarHBondContact O-CG 3.45Å; R241-Q245 PolarHBondContact O-N 3.46Å; R241-Q245 VanDerWaalsContact O-N 3.12Å
242S83.6Confident81.9Confident35 Ų3575.8 Ų75.825%0.24537%0.369CS..Hα-helixtrans-64.1-40177.5-178.30000111W238 N246W238-S242 WeakPolarHBondContact O-CB 3.28Å; W238-S242 PolarHBondContact O-N 2.98Å; S242-N246 PolarHBondContact O-N 2.92Å; S242-N246 VanDerWaalsContact O-N 3.1Å
243H79.1Confident80.1Confident83 Ų8384.7 Ų84.738%0.38440%0.404SS..Hα-helixtrans-63.4-45.4176.6-174.251.9000112.6A239 A240 R241 Q245 N246 Y247A239-H243 WeakPolarHBondContact O-CB 3.25Å; A239-H243 PolarHBondContact O-N 3.48Å; A240-H243 PolarHBondContact O-N 3.14Å; R241-H243 VanDerWaalsContact C-N 3.31Å; R241-H243 PolarHBondContact O-N 3.18Å; H243-Q245 PolarHBondContact O-N 2.71Å; H243-N246 PolarHBondContact O-N 3.36Å; H243-Y247 WeakPolarHBondContact O-CB 3.38Å; H243-Y247 PolarHBondContact O-N 3.34Å
244S77.5Confident78.3Confident69 Ų6994.8 Ų94.848%0.48344%0.442SS..Hα-helixtrans-65.4-39.7-18066.70000112.8A240 R241 Y247 Y248A240-S244 PolarHBondContact O-N 3.35Å; A240-S244 VanDerWaalsContact O-N 3.16Å; R241-S244 PolarHBondContact O-N 3.44Å; R241-S244 PolarHBondContact O-OG 3.08Å; S244-Y247 PolarHBondContact O-N 3Å; S244-Y248 WeakPolarHBondContact O-CB 3.39Å; S244-Y248 PolarHBondContact O-N 3.37Å
245Q75.5Confident76.5Confident123 Ų12398 Ų9858%0.57546%0.455SS*.Hα-helixtrans-64.8-43176.5-72.8179.2-13.700112.4R241 H243 Y248 R249R241-Q245 WeakPolarHBondContact O-CG 3.45Å; R241-Q245 PolarHBondContact O-N 3.46Å; R241-Q245 VanDerWaalsContact O-N 3.12Å; H243-Q245 PolarHBondContact O-N 2.71Å; Q245-Y248 PolarHBondContact O-N 3.45Å; Q245-R249 WeakPolarHBondContact O-CG 3.26Å; Q245-R249 PolarHBondContact O-N 3.24Å
246N70.4Confident74.2Confident58 Ų58102.4 Ų102.431%0.3150%0.498SS..Hα-helixtrans-66-40.6176.7-77.9-9.7000111.7D3 S242 H243 R249 M250D3-N246 PolarHBondContact OD2-ND2 3.37Å; S242-N246 PolarHBondContact O-N 2.92Å; S242-N246 VanDerWaalsContact O-N 3.1Å; H243-N246 PolarHBondContact O-N 3.36Å; N246-R249 PolarHBondContact O-N 3.24Å; N246-M250 WeakPolarHBondContact O-CB 3.43Å; N246-M250 VanDerWaalsContact O-CG 3.26Å; N246-M250 WeakPolarHBondContact O-CG 3.42Å; N246-M250 PolarHBondContact O-N 3.07Å
247Y67.4Low73.2Confident162 Ų162106.9 Ų106.964%0.63552%0.519SS*.Hα-helixtrans-62.8-46.2175.9-171.3-92.1000111.9H243 S244 R249 M250 T251H243-Y247 WeakPolarHBondContact O-CB 3.38Å; H243-Y247 PolarHBondContact O-N 3.34Å; S244-Y247 PolarHBondContact O-N 3Å; Y247-R249 PolarHBondContact O-N 2.76Å; Y247-M250 PolarHBondContact O-N 3.12Å; Y247-T251 PolarHBondContact O-N 3.06Å; Y247-T251 PolarHBondContact O-OG1 2.7Å
248Y64.6Low72.1Confident184 Ų184110.4 Ų110.472%0.72253%0.534SS*.Hα-helixtrans-62.1-44.1178.4-166.7-91.5000112S244 Q245 T251 A252S244-Y248 WeakPolarHBondContact O-CB 3.39Å; S244-Y248 PolarHBondContact O-N 3.37Å; Q245-Y248 PolarHBondContact O-N 3.45Å; Y248-T251 PolarHBondContact O-N 3.15Å; Y248-A252 PolarHBondContact O-N 2.99Å
249R64.1Low70.9Confident163 Ų163109.7 Ų109.762%0.61554%0.538SS*.Hα-helixtrans-59.7-48.9175.2-78.3-179.6174.4172.7-1.6112.1Q245 N246 Y247 T251 A252 Y253Q245-R249 WeakPolarHBondContact O-CG 3.26Å; Q245-R249 PolarHBondContact O-N 3.24Å; N246-R249 PolarHBondContact O-N 3.24Å; Y247-R249 PolarHBondContact O-N 2.76Å; R249-T251 PolarHBondContact O-N 2.94Å; R249-A252 PolarHBondContact O-N 3.3Å; R249-Y253 WeakPolarHBondContact O-CD2 3.34Å; R249-Y253 PolarHBondContact O-N 3.49Å
250M65.4Low69.7Low128 Ų128116.2 Ų116.263%0.63157%0.569SS**Hα-helixtrans-60.9-34.2178.2-73.5-104.3-74.400112.7N246 Y247 R254N246-M250 WeakPolarHBondContact O-CB 3.43Å; N246-M250 VanDerWaalsContact O-CG 3.26Å; N246-M250 WeakPolarHBondContact O-CG 3.42Å; N246-M250 PolarHBondContact O-N 3.07Å; Y247-M250 PolarHBondContact O-N 3.12Å; M250-R254 PolarHBondContact O-N 3.07Å
251T67.6Low68.5Low63 Ų63122.3 Ų122.339%0.38760%0.596SS.*Hα-helixtrans-71.5-42.5176.7-44.90000111Y247 Y248 R249 Y253 R254 V255Y247-T251 PolarHBondContact O-N 3.06Å; Y247-T251 PolarHBondContact O-OG1 2.7Å; Y248-T251 PolarHBondContact O-N 3.15Å; R249-T251 PolarHBondContact O-N 2.94Å; T251-Y253 VanDerWaalsContact C-N 3.34Å; T251-Y253 PolarHBondContact O-N 3.29Å; T251-R254 PolarHBondContact O-N 3.44Å; T251-R254 VanDerWaalsContact O-N 3.14Å; T251-V255 WeakPolarHBondContact O-CG2 3.19Å; T251-V255 PolarHBondContact O-N 2.78Å
252A64.8Low67.2Low54 Ų54119.5 Ų119.545%0.44659%0.594SS.*Hα-helixtrans-61-39.5176.300000112.7Y248 R249 R254 V255Y248-A252 PolarHBondContact O-N 2.99Å; R249-A252 PolarHBondContact O-N 3.3Å; A252-R254 VanDerWaalsContact C-N 3.27Å; A252-R254 PolarHBondContact O-N 3.37Å; A252-V255 PolarHBondContact O-N 3.34Å
253Y59.8Low66Low187 Ų187125.6 Ų125.673%0.73362%0.619SS**Hα-helixtrans-71.4-14.5176.4-75.8-66.6000114.8R249 T251R249-Y253 WeakPolarHBondContact O-CD2 3.34Å; R249-Y253 PolarHBondContact O-N 3.49Å; T251-Y253 VanDerWaalsContact C-N 3.34Å; T251-Y253 PolarHBondContact O-N 3.29Å
254R60.1Low65Low216 Ų216128.8 Ų128.882%0.81564%0.637SS**Hα-helixtrans-90.7-12.9175.7-79.6-174.3175.3-169.9-1.7113.6M250 T251 A252M250-R254 PolarHBondContact O-N 3.07Å; T251-R254 PolarHBondContact O-N 3.44Å; T251-R254 VanDerWaalsContact O-N 3.14Å; A252-R254 VanDerWaalsContact C-N 3.27Å; A252-R254 PolarHBondContact O-N 3.37Å
255V58.9Low64Low129 Ų129133.8 Ų133.878%0.78265%0.65SS**Hα-helixtrans-101-15.3-177.9-179.30000111.7T251 A252T251-V255 WeakPolarHBondContact O-CG2 3.19Å; T251-V255 PolarHBondContact O-N 2.78Å; A252-V255 PolarHBondContact O-N 3.34Å
256A49.5Very low63Low139 Ų139134.8 Ų134.8100%1.14966%0.657SS**  trans-94.20171.200000111

Retrieved 256 of 256 residues in 49.6 ms (Link to these results)

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