A0A077YVU7_TRITR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A077YVU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 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
1M56.3Low88.5Confident244 Ų24481.6 Ų81.6100%1.20239%0.388SS*.  0119.40-166177.7-83.100108.5
2V75.7Confident89.1Confident79 Ų7976.8 Ų76.848%0.47937%0.369SS..  trans-84.3130.1175.5-179.10000107.7
3R86.3Confident89.6Confident66 Ų6681.6 Ų81.625%0.24939%0.394CS..  trans-79.7129.6-178.9-175.1-171.3-76.9-86-11.7109.7Y5 R7 M13 P14 N123R3-Y5 WeakPolarHBondContact CD-O 3.5Å; R3-Y5 WeakPolarHBondContact CG-O 3.33Å; R3-R7 VanDerWaalsContact NH2-NH1 3.19Å; R3-M13 VanDerWaalsContact CZ-O 3.23Å; R3-M13 PolarHBondContact NH1-O 3.47Å; R3-M13 PolarHBondContact NH2-O 2.98Å; R3-P14 VanDerWaalsContact NH2-CD 3.31Å; R3-N123 PolarHBondContact O-ND2 3.25Å
4L88.3Confident90Very high107 Ų10781.5 Ų81.556%0.5640%0.403SS*.SBendtrans-75.3-42.2177.8-67.3171.8000112.9P86 R87 N123L4-P86 HydrophobicContact CB-CB 4.39Å; L4-P86 CarbonylContact O-C 3.6Å; L4-P86 WeakPolarHBondContact O-CA 3.43Å; L4-R87 PolarHBondContact O-N 3.47Å; L4-N123 PolarHBondContact O-ND2 3.18Å; L4-N123 VanDerWaalsContact O-ND2 3.14Å
5Y92.4Very high90.4Very high126 Ų12679.7 Ų79.749%0.49440%0.4SS..SBendtrans-97.2157.1-177.8-63.8-84.4000112.4R3 N84 P86R3-Y5 WeakPolarHBondContact CD-O 3.5Å; R3-Y5 WeakPolarHBondContact CG-O 3.33Å; Y5-N84 WeakPolarHBondContact CE1-O 3.42Å; Y5-P86 HydrophobicContact CD1-CB 4.47Å; Y5-P86 HydrophobicContact CE1-CB 4.06Å; Y5-P86 HydrophobicContact CE1-CG 4.4Å
6S94.1Very high90.8Very high26 Ų2677.9 Ų77.918%0.18239%0.389CS..PPolyproline II helixtrans-71.8142.9173.1410000112.9R87 C122 N123S6-R87 PolarHBondContact OG-NH2 2.85Å; S6-C122 CarbonylContact C-O 3.56Å; S6-C122 WeakPolarHBondContact CA-O 3.37Å; S6-N123 WeakPolarHBondContact CA-O 3.39Å; S6-N123 WeakPolarHBondContact CB-O 3.25Å
7R94.4Very high91.2Very high22 Ų2278.8 Ų78.88%0.08340%0.402CS..PPolyproline II helixtrans-71.9128.9162.1-68-175.1178-87.29.8109.5R3 S12 P14 C122 K124 N137R3-R7 VanDerWaalsContact NH2-NH1 3.19Å; R7-S12 PolarHBondContact NH1-O 2.98Å; R7-P14 PolarHBondContact NH1-O 3.37Å; R7-P14 PolarHBondContact NH2-O 3.34Å; R7-C122 HydrophobicContact CB-CB 4.1Å; R7-C122 HydrophobicContact CG-CB 4.49Å; R7-C122 PolarHBondContact N-O 2.97Å; R7-K124 WeakPolarHBondContact O-CD 2.83Å; R7-K124 WeakPolarHBondContact O-CE 3.37Å; R7-K124 PolarHBondContact O-NZ 3.43Å; R7-N137 VanDerWaalsContact CZ-OD1 3.25Å; R7-N137 PolarHBondContact NH1-ND2 2.85Å; R7-N137 PolarHBondContact NH2-OD1 3.25Å
8I94.3Very high91.6Very high84 Ų8477.4 Ų77.443%0.43140%0.395SS..  trans-72.6-50175.4-58.8173.9000109.2S12 D72 K124I8-S12 PolarHBondContact N-OG 3.25Å; I8-S12 VanDerWaalsContact N-OG 3.1Å; I8-D72 HydrophobicContact CG2-CB 4.2Å; I8-D72 WeakPolarHBondContact O-CA 3.41Å; I8-D72 WeakPolarHBondContact O-CB 3.37Å; I8-K124 PolarHBondContact O-NZ 3.42Å
9N96.8Very high91.9Very high30 Ų3073.7 Ų73.716%0.1638%0.376CS..SBendtrans-152.9-167.9178.663.622.1000110.4W11 S12 T69 S70 I71N9-W11 PolarHBondContact O-N 3.31Å; N9-W11 WeakPolarHBondContact OD1-CB 3.09Å; N9-W11 PolarHBondContact OD1-N 3.41Å; N9-S12 PolarHBondContact N-OG 2.65Å; N9-S12 WeakPolarHBondContact O-CB 3.24Å; N9-S12 PolarHBondContact O-N 2.98Å; N9-S12 PolarHBondContact O-OG 3.17Å; N9-T69 WeakPolarHBondContact CB-O 3.45Å; N9-S70 WeakPolarHBondContact CB-O 3.42Å; N9-S70 PolarHBondContact ND2-O 3.36Å; N9-I71 WeakPolarHBondContact CB-O 3.22Å
10G97.6Very high92.2Very high0 Ų073.8 Ų73.80%038%0.381CS..THydrogen-bonded Turntrans-66.1-14.4-178.100000115.7Q19 T69 L136 N137G10-Q19 PolarHBondContact O-NE2 3.08Å; G10-Q19 PolarHBondContact O-OE1 3.35Å; G10-T69 WeakPolarHBondContact CA-O 3.44Å; G10-T69 PolarHBondContact N-O 2.85Å; G10-L136 WeakPolarHBondContact CA-O 3.43Å; G10-N137 WeakPolarHBondContact CA-O 3.39Å; G10-N137 PolarHBondContact O-ND2 3.41Å
11W97.8Very high92.5Very high114 Ų11473.3 Ų73.343%0.43238%0.381SS..THydrogen-bonded Turntrans-88.1-5.9177.4-54.2114.1000113.6N9 W23 V66 T69 S70N9-W11 PolarHBondContact O-N 3.31Å; N9-W11 WeakPolarHBondContact OD1-CB 3.09Å; N9-W11 PolarHBondContact OD1-N 3.41Å; W11-W23 AromaticContact CH2-CZ2 3.67Å; W11-W23 HydrophobicContact CH2-CZ2 3.67Å; W11-W23 HydrophobicContact CZ2-CZ2 4.41Å; W11-V66 HydrophobicContact CZ2-CG1 4.46Å; W11-V66 HydrophobicContact CZ2-CG2 4.43Å; W11-T69 HydrophobicContact CD2-CG2 3.71Å; W11-T69 VanDerWaalsContact CE2-CG2 3.4Å; W11-T69 HydrophobicContact CE3-CG2 4.22Å; W11-T69 HydrophobicContact CG-CG2 4.17Å; W11-T69 HydrophobicContact CH2-CG2 4.23Å; W11-T69 HydrophobicContact CZ2-CG2 3.69Å; W11-T69 HydrophobicContact CZ3-CG2 4.45Å; W11-S70 PolarHBondContact NE1-OG 2.95Å
12S95.7Very high94.5Very high23 Ų2362.3 Ų62.316%0.16133%0.329CS..SBendtrans-61.6139.4176.9-620000111.1R7 I8 N9 P14 N137R7-S12 PolarHBondContact NH1-O 2.98Å; I8-S12 PolarHBondContact N-OG 3.25Å; I8-S12 VanDerWaalsContact N-OG 3.1Å; N9-S12 PolarHBondContact N-OG 2.65Å; N9-S12 WeakPolarHBondContact O-CB 3.24Å; N9-S12 PolarHBondContact O-N 2.98Å; N9-S12 PolarHBondContact O-OG 3.17Å; S12-P14 CarbonylContact O-C 3.59Å; S12-N137 PolarHBondContact O-ND2 3.4Å
13M94.9Very high95.6Very high140 Ų14061.9 Ų61.969%0.6932%0.318SS*.SBendtrans-81.3147.3-177.9-68.6-61.4-7700113.3R3R3-M13 VanDerWaalsContact CZ-O 3.23Å; R3-M13 PolarHBondContact NH1-O 3.47Å; R3-M13 PolarHBondContact NH2-O 2.98Å
14P95.5Very high96.2Very high80 Ų8062 Ų6252%0.51933%0.329SS..SBendcis-76.4156.1-10.130.5-36.6000112.1R3 R7 S12 N137R3-P14 VanDerWaalsContact NH2-CD 3.31Å; R7-P14 PolarHBondContact NH1-O 3.37Å; R7-P14 PolarHBondContact NH2-O 3.34Å; S12-P14 CarbonylContact O-C 3.59Å; P14-N137 PolarHBondContact O-ND2 2.73Å
15P95.8Very high96.6Very high55 Ų5560.7 Ų60.736%0.35732%0.322SS..PPolyproline II helixtrans-62.7149.5167.229.7-35.3000110.1V20P15-V20 HydrophobicContact CB-CG2 4.4Å; P15-V20 HydrophobicContact CG-CG2 4.45Å
16H96.5Very high96.9Very high50 Ų5056.5 Ų56.523%0.23131%0.308CS..PPolyproline II helixtrans-77140.1172.1-169.6-84000109.1L18 Q19 V20 N137H16-L18 WeakPolarHBondContact ND1-CB 3.32Å; H16-L18 PolarHBondContact ND1-N 2.85Å; H16-L18 VanDerWaalsContact ND1-N 3.17Å; H16-L18 PolarHBondContact O-N 2.93Å; H16-L18 VanDerWaalsContact O-N 3.14Å; H16-Q19 HydrophobicContact CB-CB 4.46Å; H16-Q19 WeakPolarHBondContact O-CA 3.46Å; H16-Q19 WeakPolarHBondContact O-CB 3.29Å; H16-Q19 PolarHBondContact O-N 3.13Å; H16-V20 PolarHBondContact O-N 3.13Å; H16-N137 HydrophobicContact CB-CB 4.05Å
17P97.9Very high97.1Very high94 Ų9460.3 Ų60.361%0.6133%0.326SS*.Hα-helixtrans-52.7-39.7179.4-29.935.9000113.8Q19 V20 V21P17-Q19 VanDerWaalsContact C-N 3.26Å; P17-Q19 PolarHBondContact O-N 3.42Å; P17-V20 WeakPolarHBondContact O-CB 3.46Å; P17-V20 PolarHBondContact O-N 3.29Å; P17-V20 VanDerWaalsContact O-N 3.1Å; P17-V21 WeakPolarHBondContact O-CG2 3.4Å; P17-V21 PolarHBondContact O-N 2.86Å
18L98.2Very high97.3Very high53 Ų5365.9 Ų65.928%0.27735%0.351SS..Hα-helixtrans-63.2-26.6174.4-63.7178.5000114.1H16 A22 K134 W135H16-L18 WeakPolarHBondContact ND1-CB 3.32Å; H16-L18 PolarHBondContact ND1-N 2.85Å; H16-L18 VanDerWaalsContact ND1-N 3.17Å; H16-L18 PolarHBondContact O-N 2.93Å; H16-L18 VanDerWaalsContact O-N 3.14Å; L18-A22 WeakPolarHBondContact O-CB 3.19Å; L18-A22 PolarHBondContact O-N 3.32Å; L18-K134 HydrophobicContact CB-CB 4.34Å; L18-K134 HydrophobicContact CD1-CB 3.76Å; L18-K134 HydrophobicContact CD1-CD 3.9Å; L18-W135 HydrophobicContact CB-CD2 4.18Å; L18-W135 HydrophobicContact CB-CE3 3.82Å; L18-W135 HydrophobicContact CB-CZ3 4.11Å; L18-W135 HydrophobicContact CD2-CE3 4.45Å; L18-W135 HydrophobicContact CD2-CH2 3.89Å; L18-W135 HydrophobicContact CD2-CZ2 4.45Å; L18-W135 HydrophobicContact CD2-CZ3 3.89Å; L18-W135 HydrophobicContact CG-CZ3 4.49Å; L18-W135 VanDerWaalsContact O-CE3 3.23Å
19Q98.2Very high97.4Very high7 Ų766.5 Ų66.53%0.03336%0.355CS..Hα-helixtrans-67.5-41.4172.3-173.5-174.720.300110.9G10 H16 P17 A22 W23 L136 N137G10-Q19 PolarHBondContact O-NE2 3.08Å; G10-Q19 PolarHBondContact O-OE1 3.35Å; H16-Q19 HydrophobicContact CB-CB 4.46Å; H16-Q19 WeakPolarHBondContact O-CA 3.46Å; H16-Q19 WeakPolarHBondContact O-CB 3.29Å; H16-Q19 PolarHBondContact O-N 3.13Å; P17-Q19 VanDerWaalsContact C-N 3.26Å; P17-Q19 PolarHBondContact O-N 3.42Å; Q19-A22 PolarHBondContact O-N 3.1Å; Q19-W23 PolarHBondContact O-N 2.55Å; Q19-L136 PolarHBondContact NE2-O 2.71Å; Q19-N137 HydrophobicContact CB-CB 4.21Å; Q19-N137 HydrophobicContact CG-CB 4.3Å; Q19-N137 PolarHBondContact OE1-ND2 3.05Å
20V98.2Very high97.4Very high76 Ų7666.2 Ų66.246%0.46136%0.355SS..Hα-helixtrans-64.1-48175.6-1780000109.9P15 H16 P17 A22 W23 S24P15-V20 HydrophobicContact CB-CG2 4.4Å; P15-V20 HydrophobicContact CG-CG2 4.45Å; H16-V20 PolarHBondContact O-N 3.13Å; P17-V20 WeakPolarHBondContact O-CB 3.46Å; P17-V20 PolarHBondContact O-N 3.29Å; P17-V20 VanDerWaalsContact O-N 3.1Å; V20-A22 VanDerWaalsContact C-N 3.28Å; V20-A22 PolarHBondContact O-N 3.49Å; V20-W23 PolarHBondContact O-N 3.08Å; V20-W23 VanDerWaalsContact O-N 3.1Å; V20-S24 PolarHBondContact O-N 3.5Å; V20-S24 PolarHBondContact O-OG 3.34Å; V20-S24 VanDerWaalsContact O-OG 3.12Å
21V98.4Very high97.5Very high64 Ų6470.3 Ų70.339%0.38838%0.376SS..Hα-helixtrans-56.4-41.8175.7174.20000111.5P17 W23 S24 I25 W135P17-V21 WeakPolarHBondContact O-CG2 3.4Å; P17-V21 PolarHBondContact O-N 2.86Å; V21-W23 VanDerWaalsContact C-N 3.34Å; V21-W23 PolarHBondContact O-N 3.01Å; V21-S24 PolarHBondContact O-N 2.91Å; V21-I25 HydrophobicContact CG1-CD1 3.79Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.22Å; V21-I25 PolarHBondContact O-N 2.63Å; V21-W135 HydrophobicContact CB-CZ3 4.47Å; V21-W135 HydrophobicContact CG1-CZ3 4.13Å
22A98Very high97.5Very high13 Ų1366.6 Ų66.611%0.10737%0.37CS..Hα-helixtrans-59.7-43.3177.100000112.5L18 Q19 V20 I26 W135L18-A22 WeakPolarHBondContact O-CB 3.19Å; L18-A22 PolarHBondContact O-N 3.32Å; Q19-A22 PolarHBondContact O-N 3.1Å; V20-A22 VanDerWaalsContact C-N 3.28Å; V20-A22 PolarHBondContact O-N 3.49Å; A22-I26 WeakPolarHBondContact O-CG1 3.2Å; A22-I26 PolarHBondContact O-N 3.37Å; A22-W135 HydrophobicContact CB-CE3 4.1Å
23W98.3Very high97.5Very high69 Ų6967 Ų6726%0.26137%0.372SS..Hα-helixtrans-67.5-41.1176.2-74.5116.5000112W11 Q19 V20 V21 I25 I26 L27 V62 K65 V66W11-W23 AromaticContact CH2-CZ2 3.67Å; W11-W23 HydrophobicContact CH2-CZ2 3.67Å; W11-W23 HydrophobicContact CZ2-CZ2 4.41Å; Q19-W23 PolarHBondContact O-N 2.55Å; V20-W23 PolarHBondContact O-N 3.08Å; V20-W23 VanDerWaalsContact O-N 3.1Å; V21-W23 VanDerWaalsContact C-N 3.34Å; V21-W23 PolarHBondContact O-N 3.01Å; W23-I25 VanDerWaalsContact C-N 3.33Å; W23-I25 PolarHBondContact O-N 3.48Å; W23-I26 HydrophobicContact CE3-CD1 4.29Å; W23-I26 HydrophobicContact CZ3-CD1 4.45Å; W23-I26 PolarHBondContact O-N 2.92Å; W23-L27 PolarHBondContact O-N 2.87Å; W23-V62 HydrophobicContact CZ3-CG1 4.36Å; W23-K65 HydrophobicContact CD2-CD 4.12Å; W23-K65 HydrophobicContact CE3-CD 4.09Å; W23-K65 HydrophobicContact CH2-CB 4.2Å; W23-K65 HydrophobicContact CH2-CD 3.6Å; W23-K65 HydrophobicContact CH2-CG 3.82Å; W23-K65 HydrophobicContact CZ2-CD 3.62Å; W23-K65 HydrophobicContact CZ2-CG 3.75Å; W23-K65 HydrophobicContact CZ3-CD 3.85Å; W23-V66 HydrophobicContact CH2-CG2 3.88Å; W23-V66 HydrophobicContact CZ2-CG2 4.39Å
24S98.2Very high97.7Very high68 Ų6863.2 Ų63.248%0.47635%0.35SS..Hα-helixtrans-61.8-39.1176-58.50000112.4V20 V21 L27 F28V20-S24 PolarHBondContact O-N 3.5Å; V20-S24 PolarHBondContact O-OG 3.34Å; V20-S24 VanDerWaalsContact O-OG 3.12Å; V21-S24 PolarHBondContact O-N 2.91Å; S24-L27 PolarHBondContact O-N 3.31Å; S24-F28 VanDerWaalsContact O-CB 3.27Å; S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 PolarHBondContact O-N 3.4Å
25I98.1Very high97.8Very high80 Ų8065.2 Ų65.241%0.4136%0.356SS..Hα-helixtrans-63.9-46.3175.4-71.2167.8000110.8V21 W23 L27 F28 L29V21-I25 HydrophobicContact CG1-CD1 3.79Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.22Å; V21-I25 PolarHBondContact O-N 2.63Å; W23-I25 VanDerWaalsContact C-N 3.33Å; W23-I25 PolarHBondContact O-N 3.48Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 2.95Å; I25-F28 PolarHBondContact O-N 3.05Å; I25-L29 HydrophobicContact CG2-CD1 3.72Å; I25-L29 HydrophobicContact CG2-CG 4.19Å; I25-L29 WeakPolarHBondContact O-CB 3.43Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 3.29Å
26I97.7Very high97.9Very high38 Ų3867.5 Ų67.520%0.19537%0.368CS..Hα-helixtrans-59.2-46.2177.9-68.7167.7000110.3A22 W23 S30 V62 K65A22-I26 WeakPolarHBondContact O-CG1 3.2Å; A22-I26 PolarHBondContact O-N 3.37Å; W23-I26 HydrophobicContact CE3-CD1 4.29Å; W23-I26 HydrophobicContact CZ3-CD1 4.45Å; W23-I26 PolarHBondContact O-N 2.92Å; I26-S30 VanDerWaalsContact O-CB 3.31Å; I26-S30 WeakPolarHBondContact O-CB 3.45Å; I26-S30 PolarHBondContact O-N 2.63Å; I26-S30 PolarHBondContact O-OG 2.89Å; I26-V62 HydrophobicContact CG2-CG2 4.3Å; I26-K65 HydrophobicContact CD1-CD 3.49Å; I26-K65 VanDerWaalsContact CD1-CD 3.49Å
27L98Very high97.9Very high106 Ų10669.3 Ų69.356%0.55538%0.379SS*.Hα-helixtrans-62.1-49.8177.8178.561.9000111.6W23 S24 I25 S30 L31W23-L27 PolarHBondContact O-N 2.87Å; S24-L27 PolarHBondContact O-N 3.31Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 2.95Å; L27-S30 PolarHBondContact O-N 2.92Å; L27-L31 HydrophobicContact CD1-CD1 4.12Å; L27-L31 HydrophobicContact CD1-CG 4.19Å; L27-L31 HydrophobicContact CG-CD1 4.12Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 3.19Å
28F98.1Very high97.9Very high140 Ų14064.9 Ų64.961%0.61435%0.35SS*.Hα-helixtrans-59.4-49.3-179.3172.5-100.9000112.1S24 I25 S30 L31 A32S24-F28 VanDerWaalsContact O-CB 3.27Å; S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 PolarHBondContact O-N 3.4Å; I25-F28 PolarHBondContact O-N 3.05Å; F28-S30 VanDerWaalsContact C-N 3.31Å; F28-S30 PolarHBondContact O-N 3.49Å; F28-L31 PolarHBondContact O-N 2.95Å; F28-A32 WeakPolarHBondContact O-CB 3.48Å; F28-A32 PolarHBondContact O-N 3.4Å
29L97.2Very high97.9Very high97 Ų9765 Ų6551%0.50836%0.355SS..Hα-helixtrans-63.9-38.8178.8-68.1178.2000111.5I25 A32 V33I25-L29 HydrophobicContact CG2-CD1 3.72Å; I25-L29 HydrophobicContact CG2-CG 4.19Å; I25-L29 WeakPolarHBondContact O-CB 3.43Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 3.29Å; L29-A32 PolarHBondContact O-N 3.09Å; L29-V33 WeakPolarHBondContact O-CB 3.35Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 3.37Å
30S97.7Very high97.8Very high23 Ų2368.7 Ų68.716%0.16138%0.381CS..Hα-helixtrans-60-52.9174-57.20000110.2I26 L27 F28 A32 V33 Y34I26-S30 VanDerWaalsContact O-CB 3.31Å; I26-S30 WeakPolarHBondContact O-CB 3.45Å; I26-S30 PolarHBondContact O-N 2.63Å; I26-S30 PolarHBondContact O-OG 2.89Å; L27-S30 PolarHBondContact O-N 2.92Å; F28-S30 VanDerWaalsContact C-N 3.31Å; F28-S30 PolarHBondContact O-N 3.49Å; S30-A32 VanDerWaalsContact C-N 3.35Å; S30-A32 PolarHBondContact O-N 3Å; S30-V33 PolarHBondContact O-N 3.34Å; S30-V33 VanDerWaalsContact O-N 3.09Å; S30-Y34 VanDerWaalsContact O-CD2 3.25Å; S30-Y34 WeakPolarHBondContact O-CD2 3.05Å; S30-Y34 PolarHBondContact O-N 2.92Å
31L98.1Very high97.8Very high86 Ų8669 Ų6945%0.4538%0.376SS..Hα-helixtrans-58.5-44.3179.3-67.9174.7000112.5L27 F28 V33 Y34 L35L27-L31 HydrophobicContact CD1-CD1 4.12Å; L27-L31 HydrophobicContact CD1-CG 4.19Å; L27-L31 HydrophobicContact CG-CD1 4.12Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 3.19Å; F28-L31 PolarHBondContact O-N 2.95Å; L31-V33 VanDerWaalsContact C-N 3.28Å; L31-V33 PolarHBondContact O-N 3.47Å; L31-Y34 PolarHBondContact O-N 3.5Å; L31-L35 HydrophobicContact CB-CD1 4.36Å; L31-L35 HydrophobicContact CD2-CD1 4.14Å; L31-L35 VanDerWaalsContact O-CB 3.23Å; L31-L35 WeakPolarHBondContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 2.91Å
32A98Very high97.8Very high37 Ų3775.4 Ų75.431%0.30640%0.402SS..Hα-helixtrans-59.1-40.9176.600000111.9F28 L29 S30 V36 L37F28-A32 WeakPolarHBondContact O-CB 3.48Å; F28-A32 PolarHBondContact O-N 3.4Å; L29-A32 PolarHBondContact O-N 3.09Å; S30-A32 VanDerWaalsContact C-N 3.35Å; S30-A32 PolarHBondContact O-N 3Å; A32-V36 WeakPolarHBondContact O-CB 3.31Å; A32-V36 PolarHBondContact O-N 3.32Å; A32-V36 VanDerWaalsContact O-N 3.14Å; A32-L37 PolarHBondContact O-N 2.84Å
33V97.3Very high97.7Very high32 Ų3277.1 Ų77.119%0.19441%0.413CS..Iπ-helixtrans-67.2-50.9178166.40000111.7L29 S30 L31 L37 I38 L54L29-V33 WeakPolarHBondContact O-CB 3.35Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 3.37Å; S30-V33 PolarHBondContact O-N 3.34Å; S30-V33 VanDerWaalsContact O-N 3.09Å; L31-V33 VanDerWaalsContact C-N 3.28Å; L31-V33 PolarHBondContact O-N 3.47Å; V33-L37 HydrophobicContact CG2-CD2 4.32Å; V33-L37 PolarHBondContact O-N 2.91Å; V33-I38 HydrophobicContact CG1-CD1 3.8Å; V33-I38 HydrophobicContact CG1-CG1 4.01Å; V33-I38 WeakPolarHBondContact O-CG1 3.27Å; V33-I38 PolarHBondContact O-N 3.14Å; V33-L54 HydrophobicContact CG1-CD1 3.62Å
34Y98.1Very high97.7Very high60 Ų6076.2 Ų76.224%0.23542%0.42CS..Iπ-helixtrans-74.8-33.4-173.9-79-94.3000113.9S30 L31 I38 P39 Y51 S55 I58S30-Y34 VanDerWaalsContact O-CD2 3.25Å; S30-Y34 WeakPolarHBondContact O-CD2 3.05Å; S30-Y34 PolarHBondContact O-N 2.92Å; L31-Y34 PolarHBondContact O-N 3.5Å; Y34-I38 HydrophobicContact CD1-CD1 4.49Å; Y34-P39 VanDerWaalsContact O-CD 3.3Å; Y34-P39 WeakPolarHBondContact O-CD 3.36Å; Y34-P39 WeakPolarHBondContact O-CG 3.26Å; Y34-Y51 AromaticContact CD1-CD1 3.48Å; Y34-Y51 HydrophobicContact CD1-CD1 3.48Å; Y34-Y51 VanDerWaalsContact CD1-CD1 3.48Å; Y34-Y51 AromaticContact CD1-CE1 3.55Å; Y34-Y51 HydrophobicContact CD1-CE1 3.55Å; Y34-Y51 AromaticContact CE1-CD1 3.62Å; Y34-Y51 HydrophobicContact CE1-CD1 3.62Å; Y34-Y51 HydrophobicContact CE1-CE1 4.19Å; Y34-Y51 HydrophobicContact CG-CE1 4.37Å; Y34-Y51 PolarHBondContact O-OH 3.28Å; Y34-S55 WeakPolarHBondContact OH-CA 3.26Å; Y34-S55 VanDerWaalsContact OH-CB 3.31Å; Y34-S55 WeakPolarHBondContact OH-CB 3.43Å; Y34-S55 PolarHBondContact OH-N 2.65Å; Y34-S55 PolarHBondContact OH-OG 2.88Å; Y34-I58 HydrophobicContact CE2-CD1 3.71Å
35L97.5Very high97.7Very high122 Ų12279.1 Ų79.164%0.63943%0.426SS*.Iπ-helixtrans-95.8-22.1-173.7-57.4-179.3000113.5L31L31-L35 HydrophobicContact CB-CD1 4.36Å; L31-L35 HydrophobicContact CD2-CD1 4.14Å; L31-L35 VanDerWaalsContact O-CB 3.23Å; L31-L35 WeakPolarHBondContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 2.91Å
36V97.7Very high97.7Very high103 Ų10376.7 Ų76.762%0.62442%0.418SS*.Iπ-helixtrans-123.3-57.9-175.5-173.70000111.3A32 S40A32-V36 WeakPolarHBondContact O-CB 3.31Å; A32-V36 PolarHBondContact O-N 3.32Å; A32-V36 VanDerWaalsContact O-N 3.14Å; V36-S40 PolarHBondContact O-N 3.49Å
37L96.6Very high97.8Very high88 Ų8879.1 Ų79.146%0.46143%0.425SS..Iπ-helixtrans-65.9-56.5-171.3-176.760.1000111.7A32 V33 S40 F41A32-L37 PolarHBondContact O-N 2.84Å; V33-L37 HydrophobicContact CG2-CD2 4.32Å; V33-L37 PolarHBondContact O-N 2.91Å; L37-S40 WeakPolarHBondContact O-CB 3.39Å; L37-S40 PolarHBondContact O-N 3.25Å; L37-S40 VanDerWaalsContact O-N 3.13Å; L37-S40 PolarHBondContact O-OG 2.9Å; L37-F41 HydrophobicContact CD1-CE2 4.03Å; L37-F41 HydrophobicContact CG-CE2 4.14Å; L37-F41 VanDerWaalsContact O-CD2 3.22Å; L37-F41 WeakPolarHBondContact O-CD2 3.44Å; L37-F41 WeakPolarHBondContact O-CE2 3.35Å
38I97.9Very high97.8Very high1 Ų179.6 Ų79.61%0.00543%0.427CS..G310 helixtrans-62.6-46.9-176.2-60.7172.3000111.4V33 Y34 S40 F41 R47 L50 Y51 L54V33-I38 HydrophobicContact CG1-CD1 3.8Å; V33-I38 HydrophobicContact CG1-CG1 4.01Å; V33-I38 WeakPolarHBondContact O-CG1 3.27Å; V33-I38 PolarHBondContact O-N 3.14Å; Y34-I38 HydrophobicContact CD1-CD1 4.49Å; I38-S40 PolarHBondContact O-N 3.47Å; I38-S40 VanDerWaalsContact O-N 3.08Å; I38-F41 PolarHBondContact O-N 3.29Å; I38-F41 VanDerWaalsContact O-N 3.13Å; I38-R47 HydrophobicContact CG2-CB 3.93Å; I38-R47 HydrophobicContact CG2-CG 3.93Å; I38-R47 WeakPolarHBondContact O-CD 3.46Å; I38-R47 VanDerWaalsContact O-CG 3.29Å; I38-R47 WeakPolarHBondContact O-CG 3.25Å; I38-L50 HydrophobicContact CD1-CB 4.17Å; I38-L50 HydrophobicContact CG1-CB 4.05Å; I38-L50 HydrophobicContact CG2-CB 4.29Å; I38-Y51 HydrophobicContact CB-CD1 4.35Å; I38-Y51 HydrophobicContact CB-CE1 3.82Å; I38-Y51 HydrophobicContact CD1-CD1 3.37Å; I38-Y51 HydrophobicContact CD1-CE1 3.57Å; I38-Y51 HydrophobicContact CD1-CG 4.1Å; I38-Y51 HydrophobicContact CG1-CD1 4.45Å; I38-Y51 HydrophobicContact CG1-CE1 4.3Å; I38-Y51 HydrophobicContact CG2-CD1 3.94Å; I38-Y51 HydrophobicContact CG2-CD2 3.83Å; I38-Y51 HydrophobicContact CG2-CE1 3.59Å; I38-Y51 HydrophobicContact CG2-CE2 3.48Å; I38-Y51 VanDerWaalsContact CG2-CE2 3.48Å; I38-Y51 HydrophobicContact CG2-CG 4.03Å; I38-L54 HydrophobicContact CD1-CD1 4.14Å; I38-L54 HydrophobicContact CG1-CD1 4.46Å
39P97.8Very high97.8Very high56 Ų5678.5 Ų78.536%0.36443%0.427SS..G310 helixtrans-59.5-20.3176.2-27.337.4000115.2Y34 F41Y34-P39 VanDerWaalsContact O-CD 3.3Å; Y34-P39 WeakPolarHBondContact O-CD 3.36Å; Y34-P39 WeakPolarHBondContact O-CG 3.26Å; P39-F41 VanDerWaalsContact C-N 3.27Å; P39-F41 PolarHBondContact O-N 2.86Å
40S97.4Very high97.8Very high83 Ų8376 Ų7658%0.5841%0.414SS*.G310 helixtrans-74.2-13.8178.476.80000114.1V36 L37 I38V36-S40 PolarHBondContact O-N 3.49Å; L37-S40 WeakPolarHBondContact O-CB 3.39Å; L37-S40 PolarHBondContact O-N 3.25Å; L37-S40 VanDerWaalsContact O-N 3.13Å; L37-S40 PolarHBondContact O-OG 2.9Å; I38-S40 PolarHBondContact O-N 3.47Å; I38-S40 VanDerWaalsContact O-N 3.08Å
41F97.6Very high97.8Very high84 Ų8478.4 Ų78.437%0.36842%0.42SS..  trans-79128.5175.3-71.3-103.1000111.1L37 I38 P39 R47 L50L37-F41 HydrophobicContact CD1-CE2 4.03Å; L37-F41 HydrophobicContact CG-CE2 4.14Å; L37-F41 VanDerWaalsContact O-CD2 3.22Å; L37-F41 WeakPolarHBondContact O-CD2 3.44Å; L37-F41 WeakPolarHBondContact O-CE2 3.35Å; I38-F41 PolarHBondContact O-N 3.29Å; I38-F41 VanDerWaalsContact O-N 3.13Å; P39-F41 VanDerWaalsContact C-N 3.27Å; P39-F41 PolarHBondContact O-N 2.86Å; F41-R47 HydrophobicContact CB-CG 3.94Å; F41-R47 WeakPolarHBondContact O-CD 3.19Å; F41-L50 HydrophobicContact CD1-CD1 4.18Å; F41-L50 HydrophobicContact CD2-CD1 3.86Å; F41-L50 HydrophobicContact CE1-CD1 4.13Å; F41-L50 HydrophobicContact CE2-CD1 3.81Å; F41-L50 HydrophobicContact CG-CD1 4.06Å; F41-L50 HydrophobicContact CZ-CD1 3.95Å
42Q97.4Very high97.9Very high198 Ų19878.2 Ų78.293%0.92542%0.422SS*.SBendtrans-69.4-36.9-178.8-67.1179.6-14.900113.3
43S97.8Very high97.9Very high48 Ų4882.5 Ų82.534%0.33643%0.434SS..  trans-72.7128.3180158.60000111.3E45 A46 R47S43-E45 VanDerWaalsContact C-N 3.32Å; S43-E45 PolarHBondContact OG-N 2.99Å; S43-E45 PolarHBondContact OG-OE2 3.44Å; S43-A46 WeakPolarHBondContact OG-CB 3.33Å; S43-A46 PolarHBondContact OG-N 3.35Å; S43-R47 WeakPolarHBondContact O-CG 3.23Å; S43-R47 PolarHBondContact O-N 3.42Å; S43-R47 VanDerWaalsContact O-N 3.17Å
44A98Very high97.9Very high51 Ų5182.7 Ų82.742%0.42143%0.433SS..Hα-helixtrans-67.4-36.117500000111.7R47 L48A44-R47 PolarHBondContact O-N 2.68Å; A44-L48 PolarHBondContact O-N 2.92Å
45E98.2Very high97.9Very high128 Ų12882.1 Ų82.160%0.59844%0.439SS*.Hα-helixtrans-64.7-47.7178.2-53.572.8-157.200110.4S43 R47 L48 I49S43-E45 VanDerWaalsContact C-N 3.32Å; S43-E45 PolarHBondContact OG-N 2.99Å; S43-E45 PolarHBondContact OG-OE2 3.44Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 2.91Å; E45-L48 PolarHBondContact O-N 3.28Å; E45-I49 WeakPolarHBondContact O-CG1 3.31Å; E45-I49 PolarHBondContact O-N 3.28Å
46A98.1Very high97.9Very high29 Ų2981.6 Ų81.624%0.2444%0.436CS..Hα-helixtrans-59.6-43.417600000111.4S43 I49 L50S43-A46 WeakPolarHBondContact OG-CB 3.33Å; S43-A46 PolarHBondContact OG-N 3.35Å; A46-I49 PolarHBondContact O-N 3.21Å; A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 VanDerWaalsContact O-CG 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.36Å; A46-L50 PolarHBondContact O-N 2.84Å
47R98.4Very high97.9Very high90 Ų9080.5 Ų80.534%0.3443%0.426SS..Hα-helixtrans-60.1-46.7175.7-72.6-172.9-65.1169.73.3112.2I38 F41 S43 A44 E45 L50 Y51I38-R47 HydrophobicContact CG2-CB 3.93Å; I38-R47 HydrophobicContact CG2-CG 3.93Å; I38-R47 WeakPolarHBondContact O-CD 3.46Å; I38-R47 VanDerWaalsContact O-CG 3.29Å; I38-R47 WeakPolarHBondContact O-CG 3.25Å; F41-R47 HydrophobicContact CB-CG 3.94Å; F41-R47 WeakPolarHBondContact O-CD 3.19Å; S43-R47 WeakPolarHBondContact O-CG 3.23Å; S43-R47 PolarHBondContact O-N 3.42Å; S43-R47 VanDerWaalsContact O-N 3.17Å; A44-R47 PolarHBondContact O-N 2.68Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 2.91Å; R47-L50 PolarHBondContact O-N 2.63Å; R47-Y51 HydrophobicContact CB-CD2 4.39Å; R47-Y51 HydrophobicContact CB-CE2 4.23Å; R47-Y51 WeakPolarHBondContact O-CB 3.31Å; R47-Y51 WeakPolarHBondContact O-CD2 3.46Å; R47-Y51 PolarHBondContact O-N 2.91Å
48L98.2Very high97.9Very high116 Ų11678.4 Ų78.461%0.60742%0.415SS*.Hα-helixtrans-60.7-46.8178.6179.861.8000111.6A44 E45 L50 Y51 V52A44-L48 PolarHBondContact O-N 2.92Å; E45-L48 PolarHBondContact O-N 3.28Å; L48-L50 PolarHBondContact O-N 3.35Å; L48-Y51 PolarHBondContact O-N 2.83Å; L48-V52 HydrophobicContact CD1-CG2 4.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.2Å; L48-V52 PolarHBondContact O-N 3.45Å
49I98.2Very high97.9Very high116 Ų11683 Ų8360%0.59544%0.439SS*.Hα-helixtrans-59.7-47.2177.6-67.7167.2000110.4E45 A46 V52 F53E45-I49 WeakPolarHBondContact O-CG1 3.31Å; E45-I49 PolarHBondContact O-N 3.28Å; A46-I49 PolarHBondContact O-N 3.21Å; I49-V52 PolarHBondContact O-N 3.38Å; I49-F53 VanDerWaalsContact O-CB 3.25Å; I49-F53 WeakPolarHBondContact O-CB 3.33Å; I49-F53 PolarHBondContact O-N 3.43Å
50L98.3Very high98Very high46 Ų4684.3 Ų84.324%0.24144%0.442CS..Hα-helixtrans-63.2-44.1178.8-72.2171.1000111.9I38 F41 A46 R47 L48 V52 L54I38-L50 HydrophobicContact CD1-CB 4.17Å; I38-L50 HydrophobicContact CG1-CB 4.05Å; I38-L50 HydrophobicContact CG2-CB 4.29Å; F41-L50 HydrophobicContact CD1-CD1 4.18Å; F41-L50 HydrophobicContact CD2-CD1 3.86Å; F41-L50 HydrophobicContact CE1-CD1 4.13Å; F41-L50 HydrophobicContact CE2-CD1 3.81Å; F41-L50 HydrophobicContact CG-CD1 4.06Å; F41-L50 HydrophobicContact CZ-CD1 3.95Å; A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 VanDerWaalsContact O-CG 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.36Å; A46-L50 PolarHBondContact O-N 2.84Å; R47-L50 PolarHBondContact O-N 2.63Å; L48-L50 PolarHBondContact O-N 3.35Å; L50-V52 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CB-CD1 4.41Å; L50-L54 HydrophobicContact CD2-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.31Å; L50-L54 PolarHBondContact O-N 3.44Å
51Y98.3Very high98Very high73 Ų7383.7 Ų83.729%0.28644%0.435SS..Hα-helixtrans-58.5-48.6175.9-78.9-51.5000111.2Y34 I38 R47 L48 S55Y34-Y51 AromaticContact CD1-CD1 3.48Å; Y34-Y51 HydrophobicContact CD1-CD1 3.48Å; Y34-Y51 VanDerWaalsContact CD1-CD1 3.48Å; Y34-Y51 AromaticContact CD1-CE1 3.55Å; Y34-Y51 HydrophobicContact CD1-CE1 3.55Å; Y34-Y51 AromaticContact CE1-CD1 3.62Å; Y34-Y51 HydrophobicContact CE1-CD1 3.62Å; Y34-Y51 HydrophobicContact CE1-CE1 4.19Å; Y34-Y51 HydrophobicContact CG-CE1 4.37Å; Y34-Y51 PolarHBondContact O-OH 3.28Å; I38-Y51 HydrophobicContact CB-CD1 4.35Å; I38-Y51 HydrophobicContact CB-CE1 3.82Å; I38-Y51 HydrophobicContact CD1-CD1 3.37Å; I38-Y51 HydrophobicContact CD1-CE1 3.57Å; I38-Y51 HydrophobicContact CD1-CG 4.1Å; I38-Y51 HydrophobicContact CG1-CD1 4.45Å; I38-Y51 HydrophobicContact CG1-CE1 4.3Å; I38-Y51 HydrophobicContact CG2-CD1 3.94Å; I38-Y51 HydrophobicContact CG2-CD2 3.83Å; I38-Y51 HydrophobicContact CG2-CE1 3.59Å; I38-Y51 HydrophobicContact CG2-CE2 3.48Å; I38-Y51 VanDerWaalsContact CG2-CE2 3.48Å; I38-Y51 HydrophobicContact CG2-CG 4.03Å; R47-Y51 HydrophobicContact CB-CD2 4.39Å; R47-Y51 HydrophobicContact CB-CE2 4.23Å; R47-Y51 WeakPolarHBondContact O-CB 3.31Å; R47-Y51 WeakPolarHBondContact O-CD2 3.46Å; R47-Y51 PolarHBondContact O-N 2.91Å; L48-Y51 PolarHBondContact O-N 2.83Å; Y51-S55 WeakPolarHBondContact O-CB 3.4Å; Y51-S55 PolarHBondContact O-N 3.01Å; Y51-S55 VanDerWaalsContact O-N 3.08Å; Y51-S55 PolarHBondContact O-OG 3.38Å
52V98.3Very high98Very high81 Ų8181.8 Ų81.849%0.49143%0.43SS..Hα-helixtrans-65.6-53.2-179.5173.60000110.9L48 I49 L50 S55 L56L48-V52 HydrophobicContact CD1-CG2 4.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.2Å; L48-V52 PolarHBondContact O-N 3.45Å; I49-V52 PolarHBondContact O-N 3.38Å; L50-V52 PolarHBondContact O-N 3.44Å; V52-S55 PolarHBondContact O-N 3.15Å; V52-L56 HydrophobicContact CG1-CD1 4.27Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.99Å; V52-L56 VanDerWaalsContact O-N 3.1Å
53F98.2Very high98.1Very high127 Ų12776.3 Ų76.356%0.55741%0.406SS*.Hα-helixtrans-63.2-47.1-175179.7-101.8000112.5I49 S55 L56 L57I49-F53 VanDerWaalsContact O-CB 3.25Å; I49-F53 WeakPolarHBondContact O-CB 3.33Å; I49-F53 PolarHBondContact O-N 3.43Å; F53-S55 VanDerWaalsContact C-N 3.33Å; F53-S55 PolarHBondContact O-N 3.44Å; F53-L56 PolarHBondContact O-N 3.26Å; F53-L57 PolarHBondContact O-N 3.29Å
54L97.1Very high98.1Very high36 Ų3679.8 Ų79.819%0.18842%0.416CS..Hα-helixtrans-70.7-30.3-179.9-63.7172.7000111.8V33 I38 L50 L57 I58V33-L54 HydrophobicContact CG1-CD1 3.62Å; I38-L54 HydrophobicContact CD1-CD1 4.14Å; I38-L54 HydrophobicContact CG1-CD1 4.46Å; L50-L54 HydrophobicContact CB-CD1 4.41Å; L50-L54 HydrophobicContact CD2-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.31Å; L50-L54 PolarHBondContact O-N 3.44Å; L54-L57 HydrophobicContact CD2-CD2 4.38Å; L54-L57 PolarHBondContact O-N 3.1Å; L54-I58 WeakPolarHBondContact O-CB 3.31Å; L54-I58 WeakPolarHBondContact O-CD1 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.22Å; L54-I58 PolarHBondContact O-N 3.1Å
55S97.9Very high98.1Very high49 Ų4978.6 Ų78.634%0.34340%0.401SS..Hα-helixtrans-61.3-46.4171.2-610000111.6Y34 Y51 V52 F53 L59Y34-S55 WeakPolarHBondContact OH-CA 3.26Å; Y34-S55 VanDerWaalsContact OH-CB 3.31Å; Y34-S55 WeakPolarHBondContact OH-CB 3.43Å; Y34-S55 PolarHBondContact OH-N 2.65Å; Y34-S55 PolarHBondContact OH-OG 2.88Å; Y51-S55 WeakPolarHBondContact O-CB 3.4Å; Y51-S55 PolarHBondContact O-N 3.01Å; Y51-S55 VanDerWaalsContact O-N 3.08Å; Y51-S55 PolarHBondContact O-OG 3.38Å; V52-S55 PolarHBondContact O-N 3.15Å; F53-S55 VanDerWaalsContact C-N 3.33Å; F53-S55 PolarHBondContact O-N 3.44Å; S55-L59 WeakPolarHBondContact O-CB 3.4Å; S55-L59 PolarHBondContact O-N 3.2Å
56L98.2Very high98.1Very high110 Ų11075.1 Ų75.158%0.57639%0.388SS*.Hα-helixtrans-64.5-41.5178.2-66.3175000111.5V52 F53 L59 L60V52-L56 HydrophobicContact CG1-CD1 4.27Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.99Å; V52-L56 VanDerWaalsContact O-N 3.1Å; F53-L56 PolarHBondContact O-N 3.26Å; L56-L59 PolarHBondContact O-N 2.91Å; L56-L60 VanDerWaalsContact O-CB 3.31Å; L56-L60 WeakPolarHBondContact O-CB 3.45Å; L56-L60 PolarHBondContact O-N 3.42Å
57L97.9Very high98.1Very high80 Ų8077.2 Ų77.242%0.41940%0.398SS..Hα-helixtrans-65.1-46.3177.8-176.762.5000112.2F53 L54 L60 V61F53-L57 PolarHBondContact O-N 3.29Å; L54-L57 HydrophobicContact CD2-CD2 4.38Å; L54-L57 PolarHBondContact O-N 3.1Å; L57-L60 WeakPolarHBondContact O-CB 3.32Å; L57-L60 PolarHBondContact O-N 3.23Å; L57-V61 WeakPolarHBondContact O-CG2 3.17Å; L57-V61 PolarHBondContact O-N 2.86Å
58I97.7Very high98.1Very high45 Ų4574.7 Ų74.723%0.23139%0.393CS..Hα-helixtrans-64.6-43.3177.9-70.5163.6000110.2Y34 L54 L60 V61 V62Y34-I58 HydrophobicContact CE2-CD1 3.71Å; L54-I58 WeakPolarHBondContact O-CB 3.31Å; L54-I58 WeakPolarHBondContact O-CD1 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.22Å; L54-I58 PolarHBondContact O-N 3.1Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 2.95Å; I58-V61 PolarHBondContact O-N 2.96Å; I58-V62 HydrophobicContact CG2-CG2 4.3Å; I58-V62 WeakPolarHBondContact O-CB 3.3Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.27Å; I58-V62 PolarHBondContact O-N 2.86Å
59L97.8Very high98.1Very high98 Ų9869.2 Ų69.251%0.51336%0.364SS..Hα-helixtrans-57.6-46.3175.317962.1000111S55 L56 V61 V62 I63S55-L59 WeakPolarHBondContact O-CB 3.4Å; S55-L59 PolarHBondContact O-N 3.2Å; L56-L59 PolarHBondContact O-N 2.91Å; L59-V61 PolarHBondContact O-N 3.32Å; L59-V62 PolarHBondContact O-N 3.38Å; L59-I63 HydrophobicContact CD1-CD1 4.02Å; L59-I63 HydrophobicContact CD1-CG1 4.26Å; L59-I63 HydrophobicContact CG-CD1 3.84Å; L59-I63 HydrophobicContact CG-CG1 4.47Å; L59-I63 WeakPolarHBondContact O-CB 3.06Å; L59-I63 VanDerWaalsContact O-CG1 3.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.43Å; L59-I63 PolarHBondContact O-N 3.25Å
60L98.2Very high98.1Very high82 Ų8265.9 Ų65.943%0.42935%0.351SS..Hα-helixtrans-59.7-46.7176.9-176.264.8000111.9L56 L57 I58 V62 I63 F64L56-L60 VanDerWaalsContact O-CB 3.31Å; L56-L60 WeakPolarHBondContact O-CB 3.45Å; L56-L60 PolarHBondContact O-N 3.42Å; L57-L60 WeakPolarHBondContact O-CB 3.32Å; L57-L60 PolarHBondContact O-N 3.23Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 2.95Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-V62 PolarHBondContact O-N 3.41Å; L60-I63 PolarHBondContact O-N 2.52Å; L60-F64 HydrophobicContact CD1-CD2 3.82Å; L60-F64 HydrophobicContact CD1-CE2 3.3Å; L60-F64 HydrophobicContact CD1-CZ 4.02Å; L60-F64 HydrophobicContact CD2-CE2 4.02Å; L60-F64 HydrophobicContact CG-CD2 3.73Å; L60-F64 HydrophobicContact CG-CE2 3.47Å; L60-F64 VanDerWaalsContact CG-CE2 3.47Å; L60-F64 WeakPolarHBondContact O-CD2 3.36Å; L60-F64 PolarHBondContact O-N 3.42Å
61V98Very high98Very high70 Ų7065.7 Ų65.742%0.42435%0.349SS..Hα-helixtrans-60.8-43.3176.7168.90000111.4L57 I58 L59 F64 K65L57-V61 WeakPolarHBondContact O-CG2 3.17Å; L57-V61 PolarHBondContact O-N 2.86Å; I58-V61 PolarHBondContact O-N 2.96Å; L59-V61 PolarHBondContact O-N 3.32Å; V61-F64 PolarHBondContact O-N 3.07Å; V61-K65 WeakPolarHBondContact O-CB 3.45Å; V61-K65 PolarHBondContact O-N 2.62Å
62V98.3Very high98Very high44 Ų4464.3 Ų64.327%0.26735%0.347SS..Hα-helixtrans-64.8-45.4177.4170.80000110.5W23 I26 I58 L59 L60 K65 V66W23-V62 HydrophobicContact CZ3-CG1 4.36Å; I26-V62 HydrophobicContact CG2-CG2 4.3Å; I58-V62 HydrophobicContact CG2-CG2 4.3Å; I58-V62 WeakPolarHBondContact O-CB 3.3Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.27Å; I58-V62 PolarHBondContact O-N 2.86Å; L59-V62 PolarHBondContact O-N 3.38Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-V62 PolarHBondContact O-N 3.41Å; V62-K65 PolarHBondContact O-N 2.86Å; V62-V66 HydrophobicContact CG1-CG2 4.3Å; V62-V66 WeakPolarHBondContact O-CB 3.36Å; V62-V66 VanDerWaalsContact O-CG2 3.3Å; V62-V66 WeakPolarHBondContact O-CG2 3.21Å; V62-V66 PolarHBondContact O-N 3.36Å
63I98.3Very high97.9Very high83 Ų8360.4 Ų60.443%0.42632%0.324SS..Hα-helixtrans-57.3-52.8175.9-71.8168000110L59 L60 K65 V66 V67L59-I63 HydrophobicContact CD1-CD1 4.02Å; L59-I63 HydrophobicContact CD1-CG1 4.26Å; L59-I63 HydrophobicContact CG-CD1 3.84Å; L59-I63 HydrophobicContact CG-CG1 4.47Å; L59-I63 WeakPolarHBondContact O-CB 3.06Å; L59-I63 VanDerWaalsContact O-CG1 3.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.43Å; L59-I63 PolarHBondContact O-N 3.25Å; L60-I63 PolarHBondContact O-N 2.52Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.25Å; I63-V66 PolarHBondContact O-N 3.34Å; I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CB 3.43Å; I63-V67 VanDerWaalsContact O-CG2 3.26Å; I63-V67 WeakPolarHBondContact O-CG2 3.43Å; I63-V67 PolarHBondContact O-N 3.27Å
64F97.7Very high97.8Very high122 Ų12254.4 Ų54.454%0.53530%0.297SS..Hα-helixtrans-59.1-44.3178.4-79.8-58.3000112.2L60 V61 V66 V67 V68L60-F64 HydrophobicContact CD1-CD2 3.82Å; L60-F64 HydrophobicContact CD1-CE2 3.3Å; L60-F64 HydrophobicContact CD1-CZ 4.02Å; L60-F64 HydrophobicContact CD2-CE2 4.02Å; L60-F64 HydrophobicContact CG-CD2 3.73Å; L60-F64 HydrophobicContact CG-CE2 3.47Å; L60-F64 VanDerWaalsContact CG-CE2 3.47Å; L60-F64 WeakPolarHBondContact O-CD2 3.36Å; L60-F64 PolarHBondContact O-N 3.42Å; V61-F64 PolarHBondContact O-N 3.07Å; F64-V66 PolarHBondContact O-N 3.49Å; F64-V67 PolarHBondContact O-N 3.07Å; F64-V68 VanDerWaalsContact O-CG2 3.31Å; F64-V68 WeakPolarHBondContact O-CG2 3.14Å; F64-V68 PolarHBondContact O-N 3.35Å
65K97.9Very high97.8Very high25 Ų2553 Ų5311%0.10929%0.29CS..Hα-helixtrans-60.9-44.7177.2-175.7173.3177.368.70111.5W23 I26 V61 V62 I63 T69 W135 L136W23-K65 HydrophobicContact CD2-CD 4.12Å; W23-K65 HydrophobicContact CE3-CD 4.09Å; W23-K65 HydrophobicContact CH2-CB 4.2Å; W23-K65 HydrophobicContact CH2-CD 3.6Å; W23-K65 HydrophobicContact CH2-CG 3.82Å; W23-K65 HydrophobicContact CZ2-CD 3.62Å; W23-K65 HydrophobicContact CZ2-CG 3.75Å; W23-K65 HydrophobicContact CZ3-CD 3.85Å; I26-K65 HydrophobicContact CD1-CD 3.49Å; I26-K65 VanDerWaalsContact CD1-CD 3.49Å; V61-K65 WeakPolarHBondContact O-CB 3.45Å; V61-K65 PolarHBondContact O-N 2.62Å; V62-K65 PolarHBondContact O-N 2.86Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.25Å; K65-T69 WeakPolarHBondContact O-CB 3.4Å; K65-T69 PolarHBondContact O-N 2.89Å; K65-T69 PolarHBondContact O-OG1 3.36Å; K65-W135 PolarHBondContact NZ-O 2.94Å; K65-W135 VanDerWaalsContact NZ-O 3.15Å; K65-L136 HydrophobicContact CG-CD2 4.22Å
66V98.4Very high97.7Very high56 Ų5654.3 Ų54.334%0.33929%0.293SS..Hα-helixtrans-63.2-48.3177.4170.70000110.3W11 W23 V62 I63 F64 T69 S70W11-V66 HydrophobicContact CZ2-CG1 4.46Å; W11-V66 HydrophobicContact CZ2-CG2 4.43Å; W23-V66 HydrophobicContact CH2-CG2 3.88Å; W23-V66 HydrophobicContact CZ2-CG2 4.39Å; V62-V66 HydrophobicContact CG1-CG2 4.3Å; V62-V66 WeakPolarHBondContact O-CB 3.36Å; V62-V66 VanDerWaalsContact O-CG2 3.3Å; V62-V66 WeakPolarHBondContact O-CG2 3.21Å; V62-V66 PolarHBondContact O-N 3.36Å; I63-V66 PolarHBondContact O-N 3.34Å; F64-V66 PolarHBondContact O-N 3.49Å; V66-T69 PolarHBondContact O-N 3.12Å; V66-S70 VanDerWaalsContact O-CB 3.27Å; V66-S70 WeakPolarHBondContact O-CB 3.2Å; V66-S70 PolarHBondContact O-N 2.88Å; V66-S70 PolarHBondContact O-OG 3.3Å
67V98.1Very high97.4Very high73 Ų7353.4 Ų53.444%0.44229%0.289SS..Hα-helixtrans-58.6-55.6-179.7169.70000110.8I63 F64 T69 S70 I71I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CB 3.43Å; I63-V67 VanDerWaalsContact O-CG2 3.26Å; I63-V67 WeakPolarHBondContact O-CG2 3.43Å; I63-V67 PolarHBondContact O-N 3.27Å; F64-V67 PolarHBondContact O-N 3.07Å; V67-T69 VanDerWaalsContact C-N 3.31Å; V67-T69 PolarHBondContact O-N 3.43Å; V67-S70 PolarHBondContact O-N 3.18Å; V67-I71 HydrophobicContact CG1-CD1 4.28Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.39Å; V67-I71 VanDerWaalsContact O-N 3.1Å
68V98Very high97.2Very high37 Ų3749.6 Ų49.622%0.22427%0.269CS..Hα-helixtrans-64.7-35.2-177.6-177.30000111.8F64 S70 L136 N138 I140F64-V68 VanDerWaalsContact O-CG2 3.31Å; F64-V68 WeakPolarHBondContact O-CG2 3.14Å; F64-V68 PolarHBondContact O-N 3.35Å; V68-S70 VanDerWaalsContact C-N 3.25Å; V68-S70 PolarHBondContact O-N 3.32Å; V68-L136 HydrophobicContact CG1-CD1 3.68Å; V68-N138 PolarHBondContact O-ND2 2.79Å; V68-I140 HydrophobicContact CG1-CD1 3.76Å
69T98.3Very high96.8Very high0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-65.3-31173.5-57.50000111.7N9 G10 W11 K65 V66 V67 L136 N138N9-T69 WeakPolarHBondContact CB-O 3.45Å; G10-T69 WeakPolarHBondContact CA-O 3.44Å; G10-T69 PolarHBondContact N-O 2.85Å; W11-T69 HydrophobicContact CD2-CG2 3.71Å; W11-T69 VanDerWaalsContact CE2-CG2 3.4Å; W11-T69 HydrophobicContact CE3-CG2 4.22Å; W11-T69 HydrophobicContact CG-CG2 4.17Å; W11-T69 HydrophobicContact CH2-CG2 4.23Å; W11-T69 HydrophobicContact CZ2-CG2 3.69Å; W11-T69 HydrophobicContact CZ3-CG2 4.45Å; K65-T69 WeakPolarHBondContact O-CB 3.4Å; K65-T69 PolarHBondContact O-N 2.89Å; K65-T69 PolarHBondContact O-OG1 3.36Å; V66-T69 PolarHBondContact O-N 3.12Å; V67-T69 VanDerWaalsContact C-N 3.31Å; V67-T69 PolarHBondContact O-N 3.43Å; T69-L136 WeakPolarHBondContact OG1-CD2 3.4Å; T69-N138 PolarHBondContact O-ND2 3.37Å
70S98.1Very high96.5Very high47 Ų4749.6 Ų49.633%0.32927%0.27SS..Hα-helixtrans-87.4-22.7-173.5-56.40000114.4N9 W11 V66 V67 V68 D72N9-S70 WeakPolarHBondContact CB-O 3.42Å; N9-S70 PolarHBondContact ND2-O 3.36Å; W11-S70 PolarHBondContact NE1-OG 2.95Å; V66-S70 VanDerWaalsContact O-CB 3.27Å; V66-S70 WeakPolarHBondContact O-CB 3.2Å; V66-S70 PolarHBondContact O-N 2.88Å; V66-S70 PolarHBondContact O-OG 3.3Å; V67-S70 PolarHBondContact O-N 3.18Å; V68-S70 VanDerWaalsContact C-N 3.25Å; V68-S70 PolarHBondContact O-N 3.32Å; S70-D72 PolarHBondContact O-N 2.82Å
71I97.7Very high96.1Very high41 Ų4153.2 Ų53.221%0.2128%0.282CS..  trans-59.7134.9177.8-70.9167.8000110.2N9 V67 P73 N138 K143N9-I71 WeakPolarHBondContact CB-O 3.22Å; V67-I71 HydrophobicContact CG1-CD1 4.28Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.39Å; V67-I71 VanDerWaalsContact O-N 3.1Å; I71-P73 WeakPolarHBondContact O-CD 3.25Å; I71-N138 PolarHBondContact O-ND2 3.1Å; I71-K143 HydrophobicContact CG2-CB 4.11Å
72D96.9Very high95.6Very high44 Ų4450.7 Ų50.724%0.23527%0.266CS..  trans-89.7103164-174.7-2.4000109.7I8 S70 S74 K124 K143I8-D72 HydrophobicContact CG2-CB 4.2Å; I8-D72 WeakPolarHBondContact O-CA 3.41Å; I8-D72 WeakPolarHBondContact O-CB 3.37Å; S70-D72 PolarHBondContact O-N 2.82Å; D72-S74 PolarHBondContact O-N 3.3Å; D72-S74 VanDerWaalsContact OD1-CB 3.25Å; D72-S74 WeakPolarHBondContact OD1-CB 3.09Å; D72-S74 PolarHBondContact OD1-N 3.12Å; D72-S74 PolarHBondContact OD1-OG 2.97Å; D72-K124 IonicContact OD1-NZ 2.78Å; D72-K124 PolarHBondContact OD1-NZ 3.41Å; D72-K143 VanDerWaalsContact O-CD 3.22Å; D72-K143 WeakPolarHBondContact O-CD 3.43Å
73P96.9Very high94.9Very high0 Ų055.1 Ų55.10%028%0.282CS..  trans-785.4-178.435.4-42.7000113.4I71 V126 F127 C139I71-P73 WeakPolarHBondContact O-CD 3.25Å; P73-V126 HydrophobicContact CB-CG1 3.93Å; P73-V126 HydrophobicContact CG-CG1 4.5Å; P73-V126 HydrophobicContact CG-CG2 4.26Å; P73-V126 WeakPolarHBondContact O-CA 3.33Å; P73-V126 WeakPolarHBondContact O-CG1 3.28Å; P73-F127 PolarHBondContact O-N 3.03Å; P73-C139 HydrophobicContact CB-CB 4.43Å; P73-C139 HydrophobicContact CG-CB 3.71Å; P73-C139 WeakPolarHBondContact CG-O 3.4Å
74S96.6Very high94.3Very high1 Ų156.4 Ų56.41%0.00729%0.29CS..BIsolated β-bridgetrans-61.5151-173.6-53.10000113.2D72 D76 T79 K124 C125 K143D72-S74 PolarHBondContact O-N 3.3Å; D72-S74 VanDerWaalsContact OD1-CB 3.25Å; D72-S74 WeakPolarHBondContact OD1-CB 3.09Å; D72-S74 PolarHBondContact OD1-N 3.12Å; D72-S74 PolarHBondContact OD1-OG 2.97Å; S74-D76 PolarHBondContact O-N 2.95Å; S74-T79 WeakPolarHBondContact CB-OG1 3.45Å; S74-T79 PolarHBondContact OG-OG1 3.47Å; S74-K124 WeakPolarHBondContact OG-CD 3.06Å; S74-K124 VanDerWaalsContact OG-CE 3.28Å; S74-K124 WeakPolarHBondContact OG-CE 3.47Å; S74-K124 PolarHBondContact OG-NZ 3.37Å; S74-C125 CarbonylContact C-O 3.53Å; S74-C125 VanDerWaalsContact CA-O 3.24Å; S74-C125 WeakPolarHBondContact CA-O 3.4Å; S74-K143 WeakPolarHBondContact O-CE 3.41Å; S74-K143 PolarHBondContact O-NZ 3.17Å
75D96.6Very high94Very high5 Ų555.3 Ų55.33%0.02729%0.287CS..  trans-64.4122.7168.1-171.9-21.9000110.2L77 V78 T79 H113 S116 C125D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3.4Å; D75-L77 WeakPolarHBondContact OD1-CB 3.43Å; D75-L77 PolarHBondContact OD1-N 2.53Å; D75-V78 HydrophobicContact CB-CB 4.34Å; D75-V78 HydrophobicContact CB-CG2 4.21Å; D75-V78 WeakPolarHBondContact O-CA 3.38Å; D75-V78 WeakPolarHBondContact O-CB 3.42Å; D75-V78 PolarHBondContact O-N 2.78Å; D75-T79 PolarHBondContact O-N 3.21Å; D75-H113 WeakPolarHBondContact OD2-CB 3.28Å; D75-H113 PolarHBondContact OD2-N 2.99Å; D75-S116 VanDerWaalsContact CG-OG 3.29Å; D75-S116 VanDerWaalsContact OD2-CB 3.28Å; D75-S116 WeakPolarHBondContact OD2-CB 3.41Å; D75-S116 PolarHBondContact OD2-OG 3.41Å; D75-C125 HydrophobicContact CB-CB 4.16Å; D75-C125 PolarHBondContact N-O 2.66Å
76D95.4Very high93.7Very high77 Ų7757.7 Ų57.741%0.41231%0.305SS..Hα-helixtrans-68.2-27.3-177.7-66.8-42.1000112.7S74 V78 N80 K143S74-D76 PolarHBondContact O-N 2.95Å; D76-V78 PolarHBondContact O-N 2.95Å; D76-N80 WeakPolarHBondContact O-CB 3.24Å; D76-N80 PolarHBondContact O-N 2.8Å; D76-N80 PolarHBondContact O-ND2 2.92Å; D76-N80 VanDerWaalsContact O-ND2 3.12Å; D76-K143 IonicContact OD1-NZ 2.66Å; D76-K143 PolarHBondContact OD1-NZ 2.86Å; D76-K143 WeakPolarHBondContact OD2-CE 3.42Å; D76-K143 IonicContact OD2-NZ 2.95Å; D76-K143 PolarHBondContact OD2-NZ 3.1Å
77L92.7Very high93.4Very high92 Ų9255.5 Ų55.548%0.48229%0.29SS..Hα-helixtrans-61.4-27.3171.8-60.6-179.6000111.2D75 H113D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3.4Å; D75-L77 WeakPolarHBondContact OD1-CB 3.43Å; D75-L77 PolarHBondContact OD1-N 2.53Å; L77-H113 HydrophobicContact CD1-CB 4.22Å
78V92.9Very high92.8Very high0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-93.4-57.8-180177.60000112.1D75 D76 N80 K81 I82 C108 M110 I112 C125D75-V78 HydrophobicContact CB-CB 4.34Å; D75-V78 HydrophobicContact CB-CG2 4.21Å; D75-V78 WeakPolarHBondContact O-CA 3.38Å; D75-V78 WeakPolarHBondContact O-CB 3.42Å; D75-V78 PolarHBondContact O-N 2.78Å; D76-V78 PolarHBondContact O-N 2.95Å; V78-N80 VanDerWaalsContact C-N 3.25Å; V78-N80 PolarHBondContact O-N 2.78Å; V78-K81 PolarHBondContact O-N 3.46Å; V78-K81 VanDerWaalsContact O-N 3.1Å; V78-I82 HydrophobicContact CG1-CD1 3.75Å; V78-I82 HydrophobicContact CG1-CG1 3.93Å; V78-I82 WeakPolarHBondContact O-CG1 3.5Å; V78-I82 PolarHBondContact O-N 2.73Å; V78-C108 HydrophobicContact CG1-CB 4.12Å; V78-M110 HydrophobicContact CB-CE 3.86Å; V78-M110 HydrophobicContact CG1-CE 3.77Å; V78-M110 HydrophobicContact CG2-CE 4.01Å; V78-M110 WeakPolarHBondContact O-CE 3.35Å; V78-I112 HydrophobicContact CG2-CB 4.27Å; V78-I112 HydrophobicContact CG2-CG2 3.42Å; V78-I112 VanDerWaalsContact CG2-CG2 3.42Å; V78-C125 HydrophobicContact CB-CB 4.41Å; V78-C125 HydrophobicContact CG1-CB 4.45Å; V78-C125 HydrophobicContact CG2-CB 3.96Å
79T90.9Very high92.4Very high19 Ų1959.7 Ų59.712%0.11731%0.307CS..Hα-helixtrans-62.2-32-170.4-70.60000113.1S74 D75 K81 K83S74-T79 WeakPolarHBondContact CB-OG1 3.45Å; S74-T79 PolarHBondContact OG-OG1 3.47Å; D75-T79 PolarHBondContact O-N 3.21Å; T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 2.82Å; T79-K83 WeakPolarHBondContact O-CB 3.34Å; T79-K83 PolarHBondContact O-N 3.24Å
80N89.6Confident92.1Very high124 Ų12461.3 Ų61.366%0.66331%0.314SS*.THydrogen-bonded Turntrans-71.8-23.8179.8-68-25.9000113.6D76 V78D76-N80 WeakPolarHBondContact O-CB 3.24Å; D76-N80 PolarHBondContact O-N 2.8Å; D76-N80 PolarHBondContact O-ND2 2.92Å; D76-N80 VanDerWaalsContact O-ND2 3.12Å; V78-N80 VanDerWaalsContact C-N 3.25Å; V78-N80 PolarHBondContact O-N 2.78Å
81K90.1Very high91.8Very high157 Ų15762.6 Ų62.668%0.68332%0.317SS*.THydrogen-bonded Turntrans-94.7-39.5-176.5-66.7-176.3177-178.20113.5V78 T79 M110V78-K81 PolarHBondContact O-N 3.46Å; V78-K81 VanDerWaalsContact O-N 3.1Å; T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 2.82Å; K81-M110 HydrophobicContact CB-CE 3.88Å; K81-M110 HydrophobicContact CB-SD 3.97Å; K81-M110 HydrophobicContact CD-CE 4.31Å; K81-M110 HydrophobicContact CD-SD 4.31Å
82I87.7Confident91.6Very high17 Ų1770.9 Ų70.99%0.08735%0.346CS..SBendtrans-117.829.2-173.261.5165.6000112.8V78 N84 Q85 C108 M110V78-I82 HydrophobicContact CG1-CD1 3.75Å; V78-I82 HydrophobicContact CG1-CG1 3.93Å; V78-I82 WeakPolarHBondContact O-CG1 3.5Å; V78-I82 PolarHBondContact O-N 2.73Å; I82-N84 PolarHBondContact O-N 2.76Å; I82-Q85 HydrophobicContact CB-CB 4.31Å; I82-Q85 HydrophobicContact CB-CG 4.45Å; I82-Q85 PolarHBondContact O-N 3Å; I82-Q85 VanDerWaalsContact O-N 3.15Å; I82-C108 HydrophobicContact CD1-CB 3.91Å; I82-M110 HydrophobicContact CB-SD 4.35Å; I82-M110 HydrophobicContact CD1-CE 4.06Å; I82-M110 HydrophobicContact CD1-SD 4.31Å; I82-M110 HydrophobicContact CG1-CE 3.81Å; I82-M110 HydrophobicContact CG1-SD 4.19Å; I82-M110 HydrophobicContact CG2-CE 4.04Å; I82-M110 HydrophobicContact CG2-SD 3.34Å; I82-M110 WeakPolarHBondContact CG2-SD 3.43Å
83K84.7Confident91.5Very high137 Ų13778.3 Ų78.360%0.59638%0.376SS*.THydrogen-bonded Turntrans-54.2131.3176.4-160.9174.4179.61780109.7T79 Q85T79-K83 WeakPolarHBondContact O-CB 3.34Å; T79-K83 PolarHBondContact O-N 3.24Å; K83-Q85 PolarHBondContact O-N 2.58Å; K83-Q85 VanDerWaalsContact O-N 3.17Å
84N85.8Confident91.3Very high111 Ų11186.8 Ų86.859%0.59441%0.408SS*.THydrogen-bonded Turntrans62.512.8179-53.3-30.3000116.1Y5 I82Y5-N84 WeakPolarHBondContact CE1-O 3.42Å; I82-N84 PolarHBondContact O-N 2.76Å
85Q90.7Very high91.1Very high99 Ų9988.9 Ų88.946%0.46342%0.417SS..PPolyproline II helixtrans-88.5144.5172.9-62.118013.200110.9I82 K83I82-Q85 HydrophobicContact CB-CB 4.31Å; I82-Q85 HydrophobicContact CB-CG 4.45Å; I82-Q85 PolarHBondContact O-N 3Å; I82-Q85 VanDerWaalsContact O-N 3.15Å; K83-Q85 PolarHBondContact O-N 2.58Å; K83-Q85 VanDerWaalsContact O-N 3.17Å
86P92.1Very high90.9Very high75 Ų7597.3 Ų97.349%0.48745%0.454SS..PPolyproline II helixtrans-70142.117131-33.4000109.6L4 Y5L4-P86 HydrophobicContact CB-CB 4.39Å; L4-P86 CarbonylContact O-C 3.6Å; L4-P86 WeakPolarHBondContact O-CA 3.43Å; Y5-P86 HydrophobicContact CD1-CB 4.47Å; Y5-P86 HydrophobicContact CE1-CB 4.06Å; Y5-P86 HydrophobicContact CE1-CG 4.4Å
87R90.9Very high90.9Very high10 Ų1098.7 Ų98.74%0.03846%0.458CS..PPolyproline II helixtrans-98.4137.8172-56.9110.6-177.4-78.35.9110.3L4 S6 V107 C108 N123L4-R87 PolarHBondContact O-N 3.47Å; S6-R87 PolarHBondContact OG-NH2 2.85Å; R87-V107 HydrophobicContact CB-CG1 4.08Å; R87-C108 PolarHBondContact NH1-SG 2.87Å; R87-N123 VanDerWaalsContact CD-CG 3.48Å; R87-N123 VanDerWaalsContact CD-ND2 3.28Å; R87-N123 WeakPolarHBondContact CD-ND2 3.36Å; R87-N123 VanDerWaalsContact CD-O 3.23Å; R87-N123 WeakPolarHBondContact CD-O 3.45Å; R87-N123 PolarHBondContact NE-O 3.34Å; R87-N123 PolarHBondContact NH1-O 3.22Å
88P87.1Confident91.1Very high59 Ų5996.8 Ų96.838%0.38345%0.45SS..PPolyproline II helixtrans-61157.317626.6-35.1000111.4V107 E109P88-V107 WeakPolarHBondContact CD-O 3.19Å; P88-E109 HydrophobicContact CG-CG 4.47Å
89H88.7Confident91.3Very high139 Ų13998.8 Ų98.864%0.64446%0.46SS*.PPolyproline II helixtrans-68.9134.5169.6-177.1-83.7000109.5D91H89-D91 PolarHBondContact O-N 3.15Å; H89-D91 VanDerWaalsContact O-N 3.1Å
90F92.2Very high91.5Very high34 Ų34100.2 Ų100.215%0.14947%0.467CS..  trans-63.2113.3176-174.3-111.3000111R92 F95 H97 V98 N106 V107F90-R92 HydrophobicContact CD1-CG 3.98Å; F90-R92 HydrophobicContact CE1-CG 3.77Å; F90-F95 HydrophobicContact CE2-CB 3.57Å; F90-F95 HydrophobicContact CE2-CD2 4.23Å; F90-F95 HydrophobicContact CE2-CG 4.29Å; F90-F95 HydrophobicContact CZ-CB 3.77Å; F90-F95 WeakPolarHBondContact CZ-O 3.25Å; F90-H97 WeakPolarHBondContact CE2-O 3.46Å; F90-H97 VanDerWaalsContact CZ-C 3.46Å; F90-H97 WeakPolarHBondContact CZ-O 3.17Å; F90-V98 HydrophobicContact CD1-CG2 3.96Å; F90-V98 HydrophobicContact CD2-CG2 4.07Å; F90-V98 HydrophobicContact CE1-CG2 3.84Å; F90-V98 HydrophobicContact CE2-CB 4.36Å; F90-V98 HydrophobicContact CE2-CG2 3.98Å; F90-V98 HydrophobicContact CG-CG2 4.06Å; F90-V98 HydrophobicContact CZ-CG2 3.87Å; F90-N106 HydrophobicContact CD2-CB 4.38Å; F90-N106 HydrophobicContact CE2-CB 3.93Å; F90-V107 HydrophobicContact CB-CG2 3.68Å; F90-V107 HydrophobicContact CD2-CG2 3.55Å; F90-V107 HydrophobicContact CG-CG2 3.95Å
91D92Very high91.7Very high73 Ų73102.4 Ų102.439%0.3947%0.473SS..  trans-91.9109.4175.3-175.56.3000111.3H89 K93 R94 F95H89-D91 PolarHBondContact O-N 3.15Å; H89-D91 VanDerWaalsContact O-N 3.1Å; D91-K93 PolarHBondContact O-N 3.21Å; D91-K93 WeakPolarHBondContact OD1-CB 3.43Å; D91-K93 PolarHBondContact OD1-N 2.93Å; D91-R94 HydrophobicContact CB-CB 4.19Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-F95 PolarHBondContact O-N 3.36Å
92R93.1Very high92Very high216 Ų216100.8 Ų100.882%0.81547%0.467SS*.THydrogen-bonded Turntrans-66.9-17.9177.4-72.1-177.3176-175.1-2.2113.7F90F90-R92 HydrophobicContact CD1-CG 3.98Å; F90-R92 HydrophobicContact CE1-CG 3.77Å
93K94.5Very high92.4Very high200 Ų200103.4 Ų103.487%0.8748%0.479SS*.THydrogen-bonded Turntrans-76.9-34.9175.3-61.6-178.2179.6-178.50111.2D91D91-K93 PolarHBondContact O-N 3.21Å; D91-K93 WeakPolarHBondContact OD1-CB 3.43Å; D91-K93 PolarHBondContact OD1-N 2.93Å
94R92.7Very high93Very high178 Ų17899.2 Ų99.267%0.67246%0.461SS*.THydrogen-bonded Turntrans-84.6-38.9179.7-172.5174.5177.5-170.9-2.4112.5D91D91-R94 HydrophobicContact CB-CB 4.19Å; D91-R94 PolarHBondContact O-N 3.21Å
95F92.8Very high93.5Very high44 Ų4493.9 Ų93.919%0.19343%0.433CS..  trans-126.9129.6-174-54.9-68.5000111.6F90 D91 N106F90-F95 HydrophobicContact CE2-CB 3.57Å; F90-F95 HydrophobicContact CE2-CD2 4.23Å; F90-F95 HydrophobicContact CE2-CG 4.29Å; F90-F95 HydrophobicContact CZ-CB 3.77Å; F90-F95 WeakPolarHBondContact CZ-O 3.25Å; D91-F95 PolarHBondContact O-N 3.36Å; F95-N106 HydrophobicContact CB-CB 4.17Å; F95-N106 HydrophobicContact CD1-CB 4.02Å; F95-N106 WeakPolarHBondContact CD1-OD1 3.28Å; F95-N106 HydrophobicContact CD2-CB 3.9Å; F95-N106 HydrophobicContact CE1-CB 4.35Å; F95-N106 WeakPolarHBondContact CE1-OD1 3.39Å; F95-N106 HydrophobicContact CE2-CB 4.22Å; F95-N106 HydrophobicContact CG-CB 3.78Å; F95-N106 HydrophobicContact CZ-CB 4.43Å
96K93.2Very high93.8Very high183 Ų18390 Ų9080%0.79642%0.415SS*.SBendtrans-71.8-37.3176.4-170.8-179.4175.2-175.70112.4
97H95.3Very high94Very high106 Ų10686.7 Ų86.749%0.49139%0.394SS..  trans-128.6147.5-176-58.9-68.1000111.5F90 I99 N106F90-H97 WeakPolarHBondContact CE2-O 3.46Å; F90-H97 VanDerWaalsContact CZ-C 3.46Å; F90-H97 WeakPolarHBondContact CZ-O 3.17Å; H97-I99 VanDerWaalsContact C-N 3.31Å; H97-I99 WeakPolarHBondContact CB-O 3.37Å; H97-N106 PolarHBondContact O-ND2 3.33Å
98V96.5Very high94.2Very high52 Ų5286.6 Ų86.632%0.31539%0.394SS..SBendtrans-67.9-36.3175.51730000111F90 C105 N106 V107 H118F90-V98 HydrophobicContact CD1-CG2 3.96Å; F90-V98 HydrophobicContact CD2-CG2 4.07Å; F90-V98 HydrophobicContact CE1-CG2 3.84Å; F90-V98 HydrophobicContact CE2-CB 4.36Å; F90-V98 HydrophobicContact CE2-CG2 3.98Å; F90-V98 HydrophobicContact CG-CG2 4.06Å; F90-V98 HydrophobicContact CZ-CG2 3.87Å; V98-C105 CarbonylContact O-C 3.51Å; V98-C105 WeakPolarHBondContact O-CA 3.47Å; V98-N106 PolarHBondContact O-N 3.43Å; V98-V107 HydrophobicContact CG1-CG2 3.93Å; V98-H118 HydrophobicContact CG1-CB 3.7Å
99I96.5Very high94.5Very high42 Ų4288.9 Ų88.922%0.21540%0.4CS..BIsolated β-bridgetrans-123.4128.3171.3-64.6158.4000106.1H97 F104 C105 I112 K117H97-I99 VanDerWaalsContact C-N 3.31Å; H97-I99 WeakPolarHBondContact CB-O 3.37Å; I99-F104 VanDerWaalsContact CA-O 3.28Å; I99-F104 WeakPolarHBondContact CA-O 3.49Å; I99-C105 HydrophobicContact CG1-CB 4.22Å; I99-I112 HydrophobicContact CD1-CD1 3.49Å; I99-I112 VanDerWaalsContact CD1-CD1 3.49Å; I99-I112 HydrophobicContact CG1-CD1 3.76Å; I99-I112 HydrophobicContact CG2-CD1 4.15Å; I99-K117 HydrophobicContact CD1-CB 4.34Å
100D95.4Very high94.8Very high49 Ų4983.4 Ų83.426%0.26238%0.375SS..  trans-86.9-178.4178.472.610.7000112.6H102 H103 F104D100-H102 PolarHBondContact O-N 3.47Å; D100-H102 WeakPolarHBondContact OD1-CA 3.45Å; D100-H102 PolarHBondContact OD1-N 3.26Å; D100-H103 PolarHBondContact O-N 2.89Å; D100-H103 PolarHBondContact OD1-N 3.38Å; D100-F104 PolarHBondContact N-O 2.84Å; D100-F104 WeakPolarHBondContact OD1-CB 3.33Å; D100-F104 PolarHBondContact OD1-N 3.03Å; D100-F104 WeakPolarHBondContact OD2-CB 2.88Å
101E94.4Very high95Very high170 Ų17088.3 Ų88.379%0.79440%0.396SS*.THydrogen-bonded Turntrans-66.2-17.1179.664.4-152.2-173.500114.4H103E101-H103 VanDerWaalsContact C-N 3.33Å
102H96Very high95.2Very high122 Ų12285.2 Ų85.257%0.56538%0.38SS*.THydrogen-bonded Turntrans-95.412.5176.3-57.895.2000112.2D100 F104 F111D100-H102 PolarHBondContact O-N 3.47Å; D100-H102 WeakPolarHBondContact OD1-CA 3.45Å; D100-H102 PolarHBondContact OD1-N 3.26Å; H102-F104 PolarHBondContact O-N 3.32Å; H102-F111 HydrophobicContact CB-CE1 4.2Å; H102-F111 WeakPolarHBondContact O-CD1 3.19Å
103H96.6Very high95.4Very high73 Ų7378.1 Ų78.134%0.33836%0.356SS..SBendtrans57.136.8-173.8-54.5-66000112.9D100 E101 F111 I112D100-H103 PolarHBondContact O-N 2.89Å; D100-H103 PolarHBondContact OD1-N 3.38Å; E101-H103 VanDerWaalsContact C-N 3.33Å; H103-F111 WeakPolarHBondContact O-CA 3.2Å; H103-I112 HydrophobicContact CB-CG1 4.42Å; H103-I112 WeakPolarHBondContact O-CG1 3.44Å; H103-I112 PolarHBondContact O-N 3.14Å
104F96.7Very high95.6Very high48 Ų4872.4 Ų72.421%0.21134%0.339CS..EExtended strand (participates in β ladder)trans-94.5123.6169.5-173.6-92.7000110.1I99 D100 H102 N106 E109 M110 F111I99-F104 VanDerWaalsContact CA-O 3.28Å; I99-F104 WeakPolarHBondContact CA-O 3.49Å; D100-F104 PolarHBondContact N-O 2.84Å; D100-F104 WeakPolarHBondContact OD1-CB 3.33Å; D100-F104 PolarHBondContact OD1-N 3.03Å; D100-F104 WeakPolarHBondContact OD2-CB 2.88Å; H102-F104 PolarHBondContact O-N 3.32Å; F104-N106 WeakPolarHBondContact CD1-OD1 3.48Å; F104-N106 PolarHBondContact O-N 3.18Å; F104-E109 VanDerWaalsContact CE2-C 3.43Å; F104-E109 WeakPolarHBondContact CE2-O 3.46Å; F104-E109 VanDerWaalsContact CZ-CA 3.49Å; F104-E109 HydrophobicContact CZ-CB 4.22Å; F104-E109 VanDerWaalsContact CZ-O 3.31Å; F104-E109 WeakPolarHBondContact CZ-O 3.37Å; F104-M110 VanDerWaalsContact CD2-C 3.46Å; F104-F111 HydrophobicContact CB-CD1 4Å; F104-F111 HydrophobicContact CB-CE1 3.94Å; F104-F111 HydrophobicContact CD2-CD1 4.04Å; F104-F111 HydrophobicContact CD2-CD2 4.02Å; F104-F111 HydrophobicContact CD2-CE1 4.01Å; F104-F111 AromaticContact CD2-CE2 3.98Å; F104-F111 HydrophobicContact CD2-CE2 3.98Å; F104-F111 HydrophobicContact CD2-CG 4.05Å; F104-F111 AromaticContact CD2-CZ 3.98Å; F104-F111 HydrophobicContact CD2-CZ 3.98Å; F104-F111 HydrophobicContact CE2-CE2 4.46Å; F104-F111 HydrophobicContact CG-CE1 4.45Å
105C97Very high95.8Very high0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-84.3109.5174.1-179.30000110.4V98 I99 V107 C108 E109 M110 I112V98-C105 CarbonylContact O-C 3.51Å; V98-C105 WeakPolarHBondContact O-CA 3.47Å; I99-C105 HydrophobicContact CG1-CB 4.22Å; C105-V107 PolarHBondContact O-N 2.94Å; C105-C108 HydrophobicContact CB-CB 4.09Å; C105-C108 PolarHBondContact O-N 3.48Å; C105-C108 PolarHBondContact SG-N 3.4Å; C105-C108 VanDerWaalsContact SG-N 3.4Å; C105-E109 VanDerWaalsContact O-CA 3.28Å; C105-E109 WeakPolarHBondContact O-CA 3.28Å; C105-E109 PolarHBondContact O-N 3.38Å; C105-M110 PolarHBondContact N-O 3.33Å; C105-M110 PolarHBondContact O-N 3.22Å; C105-I112 HydrophobicContact CB-CD1 4.33Å; C105-I112 HydrophobicContact CB-CG2 3.78Å
106N96.6Very high96Very high16 Ų1663.9 Ų63.99%0.08631%0.312CS..THydrogen-bonded Turntrans-67.5-3.3178.2-70-46.5000114.9F90 F95 H97 V98 F104F90-N106 HydrophobicContact CD2-CB 4.38Å; F90-N106 HydrophobicContact CE2-CB 3.93Å; F95-N106 HydrophobicContact CB-CB 4.17Å; F95-N106 HydrophobicContact CD1-CB 4.02Å; F95-N106 WeakPolarHBondContact CD1-OD1 3.28Å; F95-N106 HydrophobicContact CD2-CB 3.9Å; F95-N106 HydrophobicContact CE1-CB 4.35Å; F95-N106 WeakPolarHBondContact CE1-OD1 3.39Å; F95-N106 HydrophobicContact CE2-CB 4.22Å; F95-N106 HydrophobicContact CG-CB 3.78Å; F95-N106 HydrophobicContact CZ-CB 4.43Å; H97-N106 PolarHBondContact O-ND2 3.33Å; V98-N106 PolarHBondContact O-N 3.43Å; F104-N106 WeakPolarHBondContact CD1-OD1 3.48Å; F104-N106 PolarHBondContact O-N 3.18Å
107V95.3Very high96.3Very high7 Ų760.9 Ų60.94%0.04230%0.299CS..THydrogen-bonded Turntrans-102.1-39.4173.7-178.80000111.6R87 P88 F90 V98 C105 E109 H118R87-V107 HydrophobicContact CB-CG1 4.08Å; P88-V107 WeakPolarHBondContact CD-O 3.19Å; F90-V107 HydrophobicContact CB-CG2 3.68Å; F90-V107 HydrophobicContact CD2-CG2 3.55Å; F90-V107 HydrophobicContact CG-CG2 3.95Å; V98-V107 HydrophobicContact CG1-CG2 3.93Å; C105-V107 PolarHBondContact O-N 2.94Å; V107-E109 VanDerWaalsContact C-N 3.3Å; V107-H118 WeakPolarHBondContact CG1-NE2 3.01Å
108C95.3Very high96.4Very high8 Ų857.1 Ų57.15%0.05428%0.282CS..THydrogen-bonded Turntrans-81.7-17.2173.3-60.20000111.8V78 I82 R87 C105 M110 H118V78-C108 HydrophobicContact CG1-CB 4.12Å; I82-C108 HydrophobicContact CD1-CB 3.91Å; R87-C108 PolarHBondContact NH1-SG 2.87Å; C105-C108 HydrophobicContact CB-CB 4.09Å; C105-C108 PolarHBondContact O-N 3.48Å; C105-C108 PolarHBondContact SG-N 3.4Å; C105-C108 VanDerWaalsContact SG-N 3.4Å; C108-M110 VanDerWaalsContact C-N 3.31Å; C108-M110 HydrophobicContact CB-CG 4.32Å; C108-M110 WeakPolarHBondContact O-CG 3.19Å; C108-H118 PolarHBondContact SG-ND1 2.88Å; C108-H118 VanDerWaalsContact SG-ND1 3.36Å
109E94.4Very high96.4Very high106 Ų10655 Ų5550%0.49527%0.269SS..THydrogen-bonded Turntrans59.537.5-173.2-58-175.4163.500113P88 F104 C105 V107P88-E109 HydrophobicContact CG-CG 4.47Å; F104-E109 VanDerWaalsContact CE2-C 3.43Å; F104-E109 WeakPolarHBondContact CE2-O 3.46Å; F104-E109 VanDerWaalsContact CZ-CA 3.49Å; F104-E109 HydrophobicContact CZ-CB 4.22Å; F104-E109 VanDerWaalsContact CZ-O 3.31Å; F104-E109 WeakPolarHBondContact CZ-O 3.37Å; C105-E109 VanDerWaalsContact O-CA 3.28Å; C105-E109 WeakPolarHBondContact O-CA 3.28Å; C105-E109 PolarHBondContact O-N 3.38Å; V107-E109 VanDerWaalsContact C-N 3.3Å
110M94.5Very high96.3Very high24 Ų2462.3 Ų62.312%0.11829%0.294CS..EExtended strand (participates in β ladder)trans-146.7154.4-176.1-35.5-151.6-58.700112.7V78 K81 I82 F104 C105 C108V78-M110 HydrophobicContact CB-CE 3.86Å; V78-M110 HydrophobicContact CG1-CE 3.77Å; V78-M110 HydrophobicContact CG2-CE 4.01Å; V78-M110 WeakPolarHBondContact O-CE 3.35Å; K81-M110 HydrophobicContact CB-CE 3.88Å; K81-M110 HydrophobicContact CB-SD 3.97Å; K81-M110 HydrophobicContact CD-CE 4.31Å; K81-M110 HydrophobicContact CD-SD 4.31Å; I82-M110 HydrophobicContact CB-SD 4.35Å; I82-M110 HydrophobicContact CD1-CE 4.06Å; I82-M110 HydrophobicContact CD1-SD 4.31Å; I82-M110 HydrophobicContact CG1-CE 3.81Å; I82-M110 HydrophobicContact CG1-SD 4.19Å; I82-M110 HydrophobicContact CG2-CE 4.04Å; I82-M110 HydrophobicContact CG2-SD 3.34Å; I82-M110 WeakPolarHBondContact CG2-SD 3.43Å; F104-M110 VanDerWaalsContact CD2-C 3.46Å; C105-M110 PolarHBondContact N-O 3.33Å; C105-M110 PolarHBondContact O-N 3.22Å; C108-M110 VanDerWaalsContact C-N 3.31Å; C108-M110 HydrophobicContact CB-CG 4.32Å; C108-M110 WeakPolarHBondContact O-CG 3.19Å
111F96.4Very high96.3Very high137 Ų13764.1 Ų64.160%0.60130%0.301SS*.EExtended strand (participates in β ladder)trans-66.3137166.5-65.6-77000111H102 H103 F104H102-F111 HydrophobicContact CB-CE1 4.2Å; H102-F111 WeakPolarHBondContact O-CD1 3.19Å; H103-F111 WeakPolarHBondContact O-CA 3.2Å; F104-F111 HydrophobicContact CB-CD1 4Å; F104-F111 HydrophobicContact CB-CE1 3.94Å; F104-F111 HydrophobicContact CD2-CD1 4.04Å; F104-F111 HydrophobicContact CD2-CD2 4.02Å; F104-F111 HydrophobicContact CD2-CE1 4.01Å; F104-F111 AromaticContact CD2-CE2 3.98Å; F104-F111 HydrophobicContact CD2-CE2 3.98Å; F104-F111 HydrophobicContact CD2-CG 4.05Å; F104-F111 AromaticContact CD2-CZ 3.98Å; F104-F111 HydrophobicContact CD2-CZ 3.98Å; F104-F111 HydrophobicContact CE2-CE2 4.46Å; F104-F111 HydrophobicContact CG-CE1 4.45Å
112I97.1Very high96.4Very high8 Ų856 Ų564%0.04126%0.263CS..  trans-123.4168.4-177.469.7174.1000110V78 I99 H103 C105 S116 C125V78-I112 HydrophobicContact CG2-CB 4.27Å; V78-I112 HydrophobicContact CG2-CG2 3.42Å; V78-I112 VanDerWaalsContact CG2-CG2 3.42Å; I99-I112 HydrophobicContact CD1-CD1 3.49Å; I99-I112 VanDerWaalsContact CD1-CD1 3.49Å; I99-I112 HydrophobicContact CG1-CD1 3.76Å; I99-I112 HydrophobicContact CG2-CD1 4.15Å; H103-I112 HydrophobicContact CB-CG1 4.42Å; H103-I112 WeakPolarHBondContact O-CG1 3.44Å; H103-I112 PolarHBondContact O-N 3.14Å; C105-I112 HydrophobicContact CB-CD1 4.33Å; C105-I112 HydrophobicContact CB-CG2 3.78Å; I112-S116 WeakPolarHBondContact CD1-O 3.43Å; I112-C125 HydrophobicContact CG2-CB 4.22Å
113H97.3Very high96.4Very high67 Ų6750.6 Ų50.631%0.3124%0.238SC..  trans-63.3144.3173.7-174.2-88.7000110.7D75 L77 S115 S116 F127D75-H113 WeakPolarHBondContact OD2-CB 3.28Å; D75-H113 PolarHBondContact OD2-N 2.99Å; L77-H113 HydrophobicContact CD1-CB 4.22Å; H113-S115 PolarHBondContact CE1-OG 3.02Å; H113-S115 VanDerWaalsContact CE1-OG 3.25Å; H113-S115 PolarHBondContact ND1-N 3.12Å; H113-S115 PolarHBondContact ND1-OG 3.23Å; H113-S115 PolarHBondContact O-N 2.94Å; H113-S116 WeakPolarHBondContact CB-OG 3.36Å; H113-S116 VanDerWaalsContact O-CB 3.25Å; H113-S116 WeakPolarHBondContact O-CB 3.33Å; H113-S116 PolarHBondContact O-N 3.17Å; H113-F127 HydrophobicContact CB-CD2 4.02Å; H113-F127 HydrophobicContact CB-CE2 4.36Å; H113-F127 AromaticContact CD2-CE2 3.81Å; H113-F127 AromaticContact CE1-CE2 3.54Å; H113-F127 AromaticContact CG-CD2 3.77Å; H113-F127 AromaticContact CG-CE2 3.61Å; H113-F127 AromaticContact ND1-CD2 3.76Å; H113-F127 AromaticContact ND1-CE2 3.43Å; H113-F127 WeakPolarHBondContact ND1-CE2 3.4Å; H113-F127 AromaticContact NE2-CE2 3.76Å
114P97.3Very high96.4Very high80 Ų8047.1 Ų47.152%0.51922%0.222SC..THydrogen-bonded Turntrans-53.7-30.5-177-32.937.8000116.1
115S96.8Very high96.4Very high38 Ų3844.9 Ų44.927%0.26621%0.212SC..THydrogen-bonded Turntrans-91.1-3.6177.969.20000114.4H113 N128 F129H113-S115 PolarHBondContact CE1-OG 3.02Å; H113-S115 VanDerWaalsContact CE1-OG 3.25Å; H113-S115 PolarHBondContact ND1-N 3.12Å; H113-S115 PolarHBondContact ND1-OG 3.23Å; H113-S115 PolarHBondContact O-N 2.94Å; S115-N128 WeakPolarHBondContact CB-OD1 3.41Å; S115-N128 PolarHBondContact OG-N 3.3Å; S115-N128 PolarHBondContact OG-OD1 3.4Å; S115-F129 PolarHBondContact O-N 3.3Å
116S98.1Very high96.5Very high5 Ų544.9 Ų44.94%0.03521%0.212CC..  trans-76.5145.3-179.3-72.30000111.2D75 I112 H113 V126 F127D75-S116 VanDerWaalsContact CG-OG 3.29Å; D75-S116 VanDerWaalsContact OD2-CB 3.28Å; D75-S116 WeakPolarHBondContact OD2-CB 3.41Å; D75-S116 PolarHBondContact OD2-OG 3.41Å; I112-S116 WeakPolarHBondContact CD1-O 3.43Å; H113-S116 WeakPolarHBondContact CB-OG 3.36Å; H113-S116 VanDerWaalsContact O-CB 3.25Å; H113-S116 WeakPolarHBondContact O-CB 3.33Å; H113-S116 PolarHBondContact O-N 3.17Å; S116-V126 WeakPolarHBondContact CA-O 3.4Å; S116-V126 WeakPolarHBondContact CB-O 3.39Å; S116-V126 PolarHBondContact OG-O 3.33Å; S116-F127 WeakPolarHBondContact OG-CA 3.34Å
117K98.2Very high96.5Very high121 Ų12145.9 Ų45.953%0.52622%0.216SC..EExtended strand (participates in β ladder)trans-129.7150.2170.1-57.5-178.2-176.1166.30111.2I99 C119 C125 V126 F129I99-K117 HydrophobicContact CD1-CB 4.34Å; K117-C119 PolarHBondContact O-N 2.85Å; K117-C125 WeakPolarHBondContact O-CA 3.08Å; K117-V126 PolarHBondContact N-O 3.39Å; K117-V126 PolarHBondContact O-N 2.83Å; K117-F129 HydrophobicContact CB-CB 3.73Å; K117-F129 HydrophobicContact CB-CD1 3.79Å; K117-F129 HydrophobicContact CB-CG 3.94Å; K117-F129 HydrophobicContact CD-CB 4.5Å; K117-F129 HydrophobicContact CD-CD1 3.99Å; K117-F129 HydrophobicContact CG-CB 4.15Å; K117-F129 HydrophobicContact CG-CD1 4.34Å
118H97.6Very high96.6Very high27 Ų2749 Ų4913%0.12523%0.232CC..EExtended strand (participates in β ladder)trans-84112.7176.3-169.785.5000111.1V98 V107 C108 R120 N123V98-H118 HydrophobicContact CG1-CB 3.7Å; V107-H118 WeakPolarHBondContact CG1-NE2 3.01Å; C108-H118 PolarHBondContact SG-ND1 2.88Å; C108-H118 VanDerWaalsContact SG-ND1 3.36Å; H118-R120 PolarHBondContact O-N 3.49Å; H118-N123 PolarHBondContact CE1-OD1 2.87Å; H118-N123 PolarHBondContact NE2-OD1 2.81Å
119C97.1Very high96.8Very high6 Ų650.6 Ų50.64%0.04124%0.238CC..EExtended strand (participates in β ladder)trans-80113.3171.6178.40000110.2K117 Q121 C122 N123 K124 F129 C139K117-C119 PolarHBondContact O-N 2.85Å; C119-Q121 VanDerWaalsContact C-N 3.31Å; C119-Q121 PolarHBondContact O-N 3.1Å; C119-C122 HydrophobicContact CB-CB 4.26Å; C119-C122 PolarHBondContact SG-N 2.84Å; C119-C122 VanDerWaalsContact SG-N 3.43Å; C119-N123 WeakPolarHBondContact O-CA 3.33Å; C119-N123 PolarHBondContact O-N 2.65Å; C119-K124 PolarHBondContact N-O 2.82Å; C119-K124 PolarHBondContact O-N 3.22Å; C119-F129 HydrophobicContact CB-CE2 3.9Å; C119-F129 HydrophobicContact CB-CZ 4.28Å; C119-C139 WeakPolarHBondContact CB-SG 3.33Å; C119-C139 PolarHBondContact SG-SG 3.36Å
120R95.1Very high96.9Very high196 Ų19649.2 Ų49.274%0.7423%0.234SC*.THydrogen-bonded Turntrans-61.4-34.6176.1-170.617769.3118.2-1.3113.5H118 N123H118-R120 PolarHBondContact O-N 3.49Å; R120-N123 PolarHBondContact O-N 3.35Å
121Q95.1Very high97.1Very high87 Ų8751.6 Ų51.641%0.40725%0.245SC..THydrogen-bonded Turntrans-73.1-38.8-177-68.5178.3-74.400112.9C119 H132C119-Q121 VanDerWaalsContact C-N 3.31Å; C119-Q121 PolarHBondContact O-N 3.1Å; Q121-H132 VanDerWaalsContact CD-CD2 3.45Å; Q121-H132 PolarHBondContact OE1-CD2 3.2Å; Q121-H132 VanDerWaalsContact OE1-CG 3.29Å
122C95.8Very high97.2Very high0 Ų046.1 Ų46.10%022%0.221CC..THydrogen-bonded Turntrans-86.6-11.6172.9-72.70000113S6 R7 C119 K124 H132 C139S6-C122 CarbonylContact C-O 3.56Å; S6-C122 WeakPolarHBondContact CA-O 3.37Å; R7-C122 HydrophobicContact CB-CB 4.1Å; R7-C122 HydrophobicContact CG-CB 4.49Å; R7-C122 PolarHBondContact N-O 2.97Å; C119-C122 HydrophobicContact CB-CB 4.26Å; C119-C122 PolarHBondContact SG-N 2.84Å; C119-C122 VanDerWaalsContact SG-N 3.43Å; C122-K124 HydrophobicContact CB-CD 3.88Å; C122-K124 HydrophobicContact CB-CG 3.89Å; C122-K124 PolarHBondContact O-N 3.5Å; C122-H132 PolarHBondContact SG-CE1 3.07Å; C122-H132 PolarHBondContact SG-ND1 3.29Å; C122-C139 PolarHBondContact SG-SG 3.04Å
123N95.9Very high97.3Very high9 Ų946.6 Ų46.65%0.04823%0.225CC..THydrogen-bonded Turntrans46.356.4-169.3-163.418.3000111.7R3 L4 S6 R87 H118 C119 R120R3-N123 PolarHBondContact O-ND2 3.25Å; L4-N123 PolarHBondContact O-ND2 3.18Å; L4-N123 VanDerWaalsContact O-ND2 3.14Å; S6-N123 WeakPolarHBondContact CA-O 3.39Å; S6-N123 WeakPolarHBondContact CB-O 3.25Å; R87-N123 VanDerWaalsContact CD-CG 3.48Å; R87-N123 VanDerWaalsContact CD-ND2 3.28Å; R87-N123 WeakPolarHBondContact CD-ND2 3.36Å; R87-N123 VanDerWaalsContact CD-O 3.23Å; R87-N123 WeakPolarHBondContact CD-O 3.45Å; R87-N123 PolarHBondContact NE-O 3.34Å; R87-N123 PolarHBondContact NH1-O 3.22Å; H118-N123 PolarHBondContact CE1-OD1 2.87Å; H118-N123 PolarHBondContact NE2-OD1 2.81Å; C119-N123 WeakPolarHBondContact O-CA 3.33Å; C119-N123 PolarHBondContact O-N 2.65Å; R120-N123 PolarHBondContact O-N 3.35Å
124K96.2Very high97.3Very high0 Ų048.2 Ų48.20%023%0.231CC..EExtended strand (participates in β ladder)trans-155.2151.4178.877.6-161.7-164.2165.30113.2R7 I8 D72 S74 C119 C122 V126R7-K124 WeakPolarHBondContact O-CD 2.83Å; R7-K124 WeakPolarHBondContact O-CE 3.37Å; R7-K124 PolarHBondContact O-NZ 3.43Å; I8-K124 PolarHBondContact O-NZ 3.42Å; D72-K124 IonicContact OD1-NZ 2.78Å; D72-K124 PolarHBondContact OD1-NZ 3.41Å; S74-K124 WeakPolarHBondContact OG-CD 3.06Å; S74-K124 VanDerWaalsContact OG-CE 3.28Å; S74-K124 WeakPolarHBondContact OG-CE 3.47Å; S74-K124 PolarHBondContact OG-NZ 3.37Å; C119-K124 PolarHBondContact N-O 2.82Å; C119-K124 PolarHBondContact O-N 3.22Å; C122-K124 HydrophobicContact CB-CD 3.88Å; C122-K124 HydrophobicContact CB-CG 3.89Å; C122-K124 PolarHBondContact O-N 3.5Å; K124-V126 HydrophobicContact CG-CG2 3.96Å
125C97.6Very high97.3Very high0 Ų050.4 Ų50.40%023%0.229CC..EExtended strand (participates in β ladder)trans-78.4137167.4-71.40000110.1S74 D75 V78 I112 K117S74-C125 CarbonylContact C-O 3.53Å; S74-C125 VanDerWaalsContact CA-O 3.24Å; S74-C125 WeakPolarHBondContact CA-O 3.4Å; D75-C125 HydrophobicContact CB-CB 4.16Å; D75-C125 PolarHBondContact N-O 2.66Å; V78-C125 HydrophobicContact CB-CB 4.41Å; V78-C125 HydrophobicContact CG1-CB 4.45Å; V78-C125 HydrophobicContact CG2-CB 3.96Å; I112-C125 HydrophobicContact CG2-CB 4.22Å; K117-C125 WeakPolarHBondContact O-CA 3.08Å
126V98.2Very high97.4Very high0 Ų049.8 Ų49.80%022%0.223CC..EExtended strand (participates in β ladder)trans-124.1128.6-176167.60000108.8P73 S116 K117 K124 F129 C139P73-V126 HydrophobicContact CB-CG1 3.93Å; P73-V126 HydrophobicContact CG-CG1 4.5Å; P73-V126 HydrophobicContact CG-CG2 4.26Å; P73-V126 WeakPolarHBondContact O-CA 3.33Å; P73-V126 WeakPolarHBondContact O-CG1 3.28Å; S116-V126 WeakPolarHBondContact CA-O 3.4Å; S116-V126 WeakPolarHBondContact CB-O 3.39Å; S116-V126 PolarHBondContact OG-O 3.33Å; K117-V126 PolarHBondContact N-O 3.39Å; K117-V126 PolarHBondContact O-N 2.83Å; K124-V126 HydrophobicContact CG-CG2 3.96Å; V126-F129 HydrophobicContact CB-CB 4.09Å; V126-F129 HydrophobicContact CB-CD2 3.61Å; V126-F129 HydrophobicContact CB-CG 4.29Å; V126-F129 HydrophobicContact CG1-CB 4.04Å; V126-F129 HydrophobicContact CG1-CD2 3.65Å; V126-F129 HydrophobicContact CG1-CG 4.34Å; V126-F129 HydrophobicContact CG2-CD2 4.1Å; V126-F129 WeakPolarHBondContact O-CB 3.28Å; V126-C139 HydrophobicContact CB-CB 4.5Å; V126-C139 HydrophobicContact CG1-CB 4.23Å; V126-C139 HydrophobicContact CG2-CB 3.66Å
127F97.5Very high97.4Very high37 Ų3749.6 Ų49.616%0.16222%0.221CC..THydrogen-bonded Turntrans-68.9133.9179.5174.9-100.8000111.7P73 H113 S116 F129 G142P73-F127 PolarHBondContact O-N 3.03Å; H113-F127 HydrophobicContact CB-CD2 4.02Å; H113-F127 HydrophobicContact CB-CE2 4.36Å; H113-F127 AromaticContact CD2-CE2 3.81Å; H113-F127 AromaticContact CE1-CE2 3.54Å; H113-F127 AromaticContact CG-CD2 3.77Å; H113-F127 AromaticContact CG-CE2 3.61Å; H113-F127 AromaticContact ND1-CD2 3.76Å; H113-F127 AromaticContact ND1-CE2 3.43Å; H113-F127 WeakPolarHBondContact ND1-CE2 3.4Å; H113-F127 AromaticContact NE2-CE2 3.76Å; S116-F127 WeakPolarHBondContact OG-CA 3.34Å; F127-F129 VanDerWaalsContact C-N 3.29Å; F127-F129 PolarHBondContact O-N 2.93Å; F127-G142 PolarHBondContact O-N 3.44Å
128N97.5Very high97.4Very high72 Ų7243.8 Ų43.839%0.38520%0.196SC..THydrogen-bonded Turntrans4554.8-172.4-72.5-12.1000110.9S115 D130 G141 G142S115-N128 WeakPolarHBondContact CB-OD1 3.41Å; S115-N128 PolarHBondContact OG-N 3.3Å; S115-N128 PolarHBondContact OG-OD1 3.4Å; N128-D130 PolarHBondContact O-N 3.23Å; N128-G141 CarbonylContact O-C 3.58Å; N128-G141 WeakPolarHBondContact O-CA 3.31Å; N128-G142 PolarHBondContact O-N 2.83Å
129F98.2Very high97.4Very high43 Ų4342.5 Ų42.519%0.18919%0.19CC..  trans-64125.3-173.1178.8-100000111.6S115 K117 C119 V126 F127 H131 C139S115-F129 PolarHBondContact O-N 3.3Å; K117-F129 HydrophobicContact CB-CB 3.73Å; K117-F129 HydrophobicContact CB-CD1 3.79Å; K117-F129 HydrophobicContact CB-CG 3.94Å; K117-F129 HydrophobicContact CD-CB 4.5Å; K117-F129 HydrophobicContact CD-CD1 3.99Å; K117-F129 HydrophobicContact CG-CB 4.15Å; K117-F129 HydrophobicContact CG-CD1 4.34Å; C119-F129 HydrophobicContact CB-CE2 3.9Å; C119-F129 HydrophobicContact CB-CZ 4.28Å; V126-F129 HydrophobicContact CB-CB 4.09Å; V126-F129 HydrophobicContact CB-CD2 3.61Å; V126-F129 HydrophobicContact CB-CG 4.29Å; V126-F129 HydrophobicContact CG1-CB 4.04Å; V126-F129 HydrophobicContact CG1-CD2 3.65Å; V126-F129 HydrophobicContact CG1-CG 4.34Å; V126-F129 HydrophobicContact CG2-CD2 4.1Å; V126-F129 WeakPolarHBondContact O-CB 3.28Å; F127-F129 VanDerWaalsContact C-N 3.29Å; F127-F129 PolarHBondContact O-N 2.93Å; F129-H131 VanDerWaalsContact CZ-C 3.5Å; F129-C139 HydrophobicContact CD2-CB 4.37Å; F129-C139 HydrophobicContact CE2-CB 4.03Å
130D98.2Very high97.5Very high76 Ų7643 Ų4341%0.40619%0.192SC..  trans-96.8-73.7171.1170.88.2000109N128 I140 Y145N128-D130 PolarHBondContact O-N 3.23Å; D130-I140 HydrophobicContact CB-CG2 4.38Å; D130-I140 PolarHBondContact N-O 3.42Å; D130-I140 VanDerWaalsContact N-O 3.07Å; D130-Y145 HydrophobicContact CB-CE2 4.35Å; D130-Y145 PolarHBondContact OD2-OH 2.88Å
131H98.2Very high97.6Very high75 Ų7533.6 Ų33.635%0.34716%0.157SC..EExtended strand (participates in β ladder)trans-153.3172.1-177.670-84.7000113.2F129 C139 I140F129-H131 VanDerWaalsContact CZ-C 3.5Å; H131-C139 CarbonylContact O-C 3.54Å; H131-C139 WeakPolarHBondContact O-CA 3.23Å; H131-I140 PolarHBondContact N-O 2.79Å; H131-I140 PolarHBondContact O-N 3.14Å
132H98.5Very high97.8Very high21 Ų2129.8 Ų29.810%0.09714%0.14CC..EExtended strand (participates in β ladder)trans-99.1113.4166.5179.685.9000110.1Q121 C122 K134Q121-H132 VanDerWaalsContact CD-CD2 3.45Å; Q121-H132 PolarHBondContact OE1-CD2 3.2Å; Q121-H132 VanDerWaalsContact OE1-CG 3.29Å; C122-H132 PolarHBondContact SG-CE1 3.07Å; C122-H132 PolarHBondContact SG-ND1 3.29Å; H132-K134 PolarHBondContact O-N 3.1Å
133C98.4Very high97.8Very high18 Ų1832 Ų3212%0.12215%0.15CC..EExtended strand (participates in β ladder)trans-84.9110.4-179.9-178.50000110.7W135 L136 N137 N138 I140C133-W135 VanDerWaalsContact C-N 3.26Å; C133-W135 PolarHBondContact O-N 2.91Å; C133-L136 HydrophobicContact CB-CB 4.11Å; C133-L136 HydrophobicContact CB-CD1 3.94Å; C133-L136 HydrophobicContact CB-CG 4.25Å; C133-L136 CarbonylContact O-C 3.55Å; C133-L136 PolarHBondContact O-N 3.24Å; C133-N137 PolarHBondContact O-N 3.04Å; C133-N138 PolarHBondContact N-O 3.33Å; C133-N138 PolarHBondContact O-N 2.85Å; C133-I140 HydrophobicContact CB-CG1 4.05Å
134K97.8Very high97.9Very high101 Ų10132.7 Ų32.744%0.43915%0.154SC..THydrogen-bonded Turntrans-65.2-28.1179.5-58.8177.7-173.2172.20113.3L18 H132 L136L18-K134 HydrophobicContact CB-CB 4.34Å; L18-K134 HydrophobicContact CD1-CB 3.76Å; L18-K134 HydrophobicContact CD1-CD 3.9Å; H132-K134 PolarHBondContact O-N 3.1Å; K134-L136 VanDerWaalsContact C-N 3.28Å
135W98.3Very high97.8Very high127 Ų12740 Ų4048%0.48118%0.183SC..THydrogen-bonded Turntrans-75-18.2178.1-53.8104.4000113.4L18 V21 A22 K65 C133L18-W135 HydrophobicContact CB-CD2 4.18Å; L18-W135 HydrophobicContact CB-CE3 3.82Å; L18-W135 HydrophobicContact CB-CZ3 4.11Å; L18-W135 HydrophobicContact CD2-CE3 4.45Å; L18-W135 HydrophobicContact CD2-CH2 3.89Å; L18-W135 HydrophobicContact CD2-CZ2 4.45Å; L18-W135 HydrophobicContact CD2-CZ3 3.89Å; L18-W135 HydrophobicContact CG-CZ3 4.49Å; L18-W135 VanDerWaalsContact O-CE3 3.23Å; V21-W135 HydrophobicContact CB-CZ3 4.47Å; V21-W135 HydrophobicContact CG1-CZ3 4.13Å; A22-W135 HydrophobicContact CB-CE3 4.1Å; K65-W135 PolarHBondContact NZ-O 2.94Å; K65-W135 VanDerWaalsContact NZ-O 3.15Å; C133-W135 VanDerWaalsContact C-N 3.26Å; C133-W135 PolarHBondContact O-N 2.91Å
136L98.2Very high97.3Very high24 Ų2451.6 Ų51.613%0.12623%0.226CC..THydrogen-bonded Turntrans-108.7-11.2175.9-62.6169.1000111.9G10 Q19 K65 V68 T69 C133 K134 N138 I140G10-L136 WeakPolarHBondContact CA-O 3.43Å; Q19-L136 PolarHBondContact NE2-O 2.71Å; K65-L136 HydrophobicContact CG-CD2 4.22Å; V68-L136 HydrophobicContact CG1-CD1 3.68Å; T69-L136 WeakPolarHBondContact OG1-CD2 3.4Å; C133-L136 HydrophobicContact CB-CB 4.11Å; C133-L136 HydrophobicContact CB-CD1 3.94Å; C133-L136 HydrophobicContact CB-CG 4.25Å; C133-L136 CarbonylContact O-C 3.55Å; C133-L136 PolarHBondContact O-N 3.24Å; K134-L136 VanDerWaalsContact C-N 3.28Å; L136-N138 HydrophobicContact CB-CB 4.32Å; L136-N138 PolarHBondContact O-N 2.84Å; L136-N138 VanDerWaalsContact O-N 3.12Å; L136-I140 HydrophobicContact CD1-CD1 3.82Å
137N98Very high97.2Very high1 Ų154.2 Ų54.21%0.00524%0.237CC..THydrogen-bonded Turntrans53.926.6-172.5-17441.6000112.6R7 G10 S12 P14 H16 Q19 C133R7-N137 VanDerWaalsContact CZ-OD1 3.25Å; R7-N137 PolarHBondContact NH1-ND2 2.85Å; R7-N137 PolarHBondContact NH2-OD1 3.25Å; G10-N137 WeakPolarHBondContact CA-O 3.39Å; G10-N137 PolarHBondContact O-ND2 3.41Å; S12-N137 PolarHBondContact O-ND2 3.4Å; P14-N137 PolarHBondContact O-ND2 2.73Å; H16-N137 HydrophobicContact CB-CB 4.05Å; Q19-N137 HydrophobicContact CB-CB 4.21Å; Q19-N137 HydrophobicContact CG-CB 4.3Å; Q19-N137 PolarHBondContact OE1-ND2 3.05Å; C133-N137 PolarHBondContact O-N 3.04Å
138N98.1Very high97.2Very high0 Ų055.1 Ų55.10%024%0.241CC..EExtended strand (participates in β ladder)trans-138.8159.1-173.6-158.614.1000110.8V68 T69 I71 C133 L136V68-N138 PolarHBondContact O-ND2 2.79Å; T69-N138 PolarHBondContact O-ND2 3.37Å; I71-N138 PolarHBondContact O-ND2 3.1Å; C133-N138 PolarHBondContact N-O 3.33Å; C133-N138 PolarHBondContact O-N 2.85Å; L136-N138 HydrophobicContact CB-CB 4.32Å; L136-N138 PolarHBondContact O-N 2.84Å; L136-N138 VanDerWaalsContact O-N 3.12Å
139C98.6Very high97.2Very high0 Ų054.1 Ų54.10%023%0.233CC..EExtended strand (participates in β ladder)trans-79.5150170-58.70000111.1P73 C119 C122 V126 F129 H131 N144P73-C139 HydrophobicContact CB-CB 4.43Å; P73-C139 HydrophobicContact CG-CB 3.71Å; P73-C139 WeakPolarHBondContact CG-O 3.4Å; C119-C139 WeakPolarHBondContact CB-SG 3.33Å; C119-C139 PolarHBondContact SG-SG 3.36Å; C122-C139 PolarHBondContact SG-SG 3.04Å; V126-C139 HydrophobicContact CB-CB 4.5Å; V126-C139 HydrophobicContact CG1-CB 4.23Å; V126-C139 HydrophobicContact CG2-CB 3.66Å; F129-C139 HydrophobicContact CD2-CB 4.37Å; F129-C139 HydrophobicContact CE2-CB 4.03Å; H131-C139 CarbonylContact O-C 3.54Å; H131-C139 WeakPolarHBondContact O-CA 3.23Å; C139-N144 PolarHBondContact O-OD1 2.98Å
140I98.5Very high97.1Very high15 Ų1554.8 Ų54.88%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-105.2130.8166-56.3-55.2000107.3V68 D130 H131 C133 L136 N144 Y145V68-I140 HydrophobicContact CG1-CD1 3.76Å; D130-I140 HydrophobicContact CB-CG2 4.38Å; D130-I140 PolarHBondContact N-O 3.42Å; D130-I140 VanDerWaalsContact N-O 3.07Å; H131-I140 PolarHBondContact N-O 2.79Å; H131-I140 PolarHBondContact O-N 3.14Å; C133-I140 HydrophobicContact CB-CG1 4.05Å; L136-I140 HydrophobicContact CD1-CD1 3.82Å; I140-N144 WeakPolarHBondContact CA-OD1 3.48Å; I140-N144 HydrophobicContact CD1-CB 4.43Å; I140-N144 HydrophobicContact CG2-CB 4.16Å; I140-Y145 HydrophobicContact CG2-CE2 3.95Å
141G98Very high97Very high0 Ų053.4 Ų53.40%023%0.225CC..SBendtrans-159.2-162174.700000111.3N128 K143 N144 Y145N128-G141 CarbonylContact O-C 3.58Å; N128-G141 WeakPolarHBondContact O-CA 3.31Å; G141-K143 PolarHBondContact O-N 3.15Å; G141-N144 PolarHBondContact N-OD1 3.3Å; G141-N144 WeakPolarHBondContact O-CB 3.48Å; G141-N144 PolarHBondContact O-N 3.03Å; G141-Y145 VanDerWaalsContact O-CD2 3.22Å; G141-Y145 WeakPolarHBondContact O-CD2 3.35Å
142G97.7Very high97Very high6 Ų652 Ų526%0.06222%0.217CC..G310 helixtrans-56.8-30.8-172.800000114.5F127 N128 N144 Y145F127-G142 PolarHBondContact O-N 3.44Å; N128-G142 PolarHBondContact O-N 2.83Å; G142-N144 VanDerWaalsContact C-N 3.28Å; G142-N144 PolarHBondContact O-N 2.82Å; G142-Y145 PolarHBondContact O-N 3.23Å
143K96.7Very high96.9Very high46 Ų4654.2 Ų54.220%0.223%0.226CC..G310 helixtrans-72.6-18.1177.2-70.1-178.8171.8175.90114I71 D72 S74 D76 G141I71-K143 HydrophobicContact CG2-CB 4.11Å; D72-K143 VanDerWaalsContact O-CD 3.22Å; D72-K143 WeakPolarHBondContact O-CD 3.43Å; S74-K143 WeakPolarHBondContact O-CE 3.41Å; S74-K143 PolarHBondContact O-NZ 3.17Å; D76-K143 IonicContact OD1-NZ 2.66Å; D76-K143 PolarHBondContact OD1-NZ 2.86Å; D76-K143 WeakPolarHBondContact OD2-CE 3.42Å; D76-K143 IonicContact OD2-NZ 2.95Å; D76-K143 PolarHBondContact OD2-NZ 3.1Å; G141-K143 PolarHBondContact O-N 3.15Å
144N96.9Very high96.8Very high24 Ų2457 Ų5713%0.12823%0.234CC..G310 helixtrans-88.3-14176.4-57.897.5000112.8C139 I140 G141 G142C139-N144 PolarHBondContact O-OD1 2.98Å; I140-N144 WeakPolarHBondContact CA-OD1 3.48Å; I140-N144 HydrophobicContact CD1-CB 4.43Å; I140-N144 HydrophobicContact CG2-CB 4.16Å; G141-N144 PolarHBondContact N-OD1 3.3Å; G141-N144 WeakPolarHBondContact O-CB 3.48Å; G141-N144 PolarHBondContact O-N 3.03Å; G142-N144 VanDerWaalsContact C-N 3.28Å; G142-N144 PolarHBondContact O-N 2.82Å
145Y94.7Very high96.7Very high155 Ų15553.3 Ų53.361%0.60822%0.217SC*.  trans-98.410.8179.6-65.5-63.1000113D130 I140 G141 G142D130-Y145 HydrophobicContact CB-CE2 4.35Å; D130-Y145 PolarHBondContact OD2-OH 2.88Å; I140-Y145 HydrophobicContact CG2-CE2 3.95Å; G141-Y145 VanDerWaalsContact O-CD2 3.22Å; G141-Y145 WeakPolarHBondContact O-CD2 3.35Å; G142-Y145 PolarHBondContact O-N 3.23Å
146R86.3Confident96.5Very high242 Ų24246.6 Ų46.691%0.91319%0.193SC*.  trans-110.60177.4-67.8178.5-177.1-164.20.2109.2

Retrieved 146 of 146 residues in 85.4 ms (Link to these results)

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