A0A077ZL32_TRITR Loading...

AIRS and AIRS C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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
1M75.3Confident88.2Confident154 Ų15482.7 Ų82.776%0.75942%0.417SS*.  0-54.10-162.3166.5-77.400111.4Q3 L4 I5M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.15Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; M1-L4 WeakPolarHBondContact O-CB 2.97Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-I5 HydrophobicContact CG-CD1 4.3Å; M1-I5 PolarHBondContact O-N 2.72Å
2Q81.8Confident88.9Confident78 Ų7877.7 Ų77.736%0.36440%0.397SS..Hα-helixtrans-49.4-43.2177.4-16467.628.300114L4 I5 N6Q2-L4 VanDerWaalsContact C-N 3.34Å; Q2-L4 PolarHBondContact O-N 3.3Å; Q2-I5 WeakPolarHBondContact O-CB 3.41Å; Q2-I5 PolarHBondContact O-N 3.09Å; Q2-N6 PolarHBondContact NE2-OD1 3.11Å; Q2-N6 PolarHBondContact O-N 2.8Å; Q2-N6 PolarHBondContact O-OD1 3.26Å
3Q86Confident89.4Confident158 Ų15873 Ų7374%0.73837%0.373SS*.Hα-helixtrans-65.1-33.8179.2-164.8164.613.400113.5M1 I5 N6 S7M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.15Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-I5 VanDerWaalsContact C-N 3.35Å; Q3-N6 PolarHBondContact O-N 3.38Å; Q3-S7 WeakPolarHBondContact O-CB 3.08Å; Q3-S7 PolarHBondContact O-N 3.15Å; Q3-S7 PolarHBondContact O-OG 2.93Å
4L87Confident90Very high121 Ų12173.1 Ų73.163%0.63439%0.39SS*.Hα-helixtrans-66.6-40.1174.1-75.8158.9000111.2M1 Q2 S7 L8M1-L4 WeakPolarHBondContact O-CB 2.97Å; M1-L4 PolarHBondContact O-N 3.15Å; Q2-L4 VanDerWaalsContact C-N 3.34Å; Q2-L4 PolarHBondContact O-N 3.3Å; L4-S7 PolarHBondContact O-N 3.32Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 PolarHBondContact O-N 3.45Å
5I85.7Confident90.5Very high8 Ų870.1 Ų70.14%0.04137%0.374CS..Hα-helixtrans-64.8-47.5176.9-63.6169.9000109.9M1 Q2 Q3 S7 L8 F9 M92 L95 T118 V120M1-I5 HydrophobicContact CG-CD1 4.3Å; M1-I5 PolarHBondContact O-N 2.72Å; Q2-I5 WeakPolarHBondContact O-CB 3.41Å; Q2-I5 PolarHBondContact O-N 3.09Å; Q3-I5 VanDerWaalsContact C-N 3.35Å; I5-S7 PolarHBondContact O-N 3.01Å; I5-L8 WeakPolarHBondContact O-CB 3.41Å; I5-L8 PolarHBondContact O-N 3.19Å; I5-F9 HydrophobicContact CG2-CD2 3.75Å; I5-F9 HydrophobicContact CG2-CE2 3.16Å; I5-F9 HydrophobicContact CG2-CZ 3.99Å; I5-F9 WeakPolarHBondContact O-CD2 3.42Å; I5-F9 PolarHBondContact O-N 2.71Å; I5-F9 VanDerWaalsContact O-N 3.1Å; I5-M92 HydrophobicContact CG1-SD 4.39Å; I5-L95 HydrophobicContact CG1-CD2 4.18Å; I5-L95 HydrophobicContact CG2-CD2 4.24Å; I5-T118 HydrophobicContact CG2-CG2 3.62Å; I5-V120 HydrophobicContact CD1-CG2 4.06Å
6N88.7Confident90.9Very high74 Ų7472.3 Ų72.340%0.39639%0.393SS..Hα-helixtrans-61.4-42.1176.8-67.24.5000111.8Q2 Q3 L8 F9 M10Q2-N6 PolarHBondContact NE2-OD1 3.11Å; Q2-N6 PolarHBondContact O-N 2.8Å; Q2-N6 PolarHBondContact O-OD1 3.26Å; Q3-N6 PolarHBondContact O-N 3.38Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.07Å; N6-F9 PolarHBondContact O-N 2.82Å; N6-M10 VanDerWaalsContact O-CG 3.32Å; N6-M10 WeakPolarHBondContact O-CG 3.37Å; N6-M10 PolarHBondContact O-N 3.45Å
7S92.8Very high91.2Very high66 Ų6673 Ų7346%0.46239%0.389SS..Hα-helixtrans-60.6-42.6175.1-66.60000112Q3 L4 I5 F9 M10 E11Q3-S7 WeakPolarHBondContact O-CB 3.08Å; Q3-S7 PolarHBondContact O-N 3.15Å; Q3-S7 PolarHBondContact O-OG 2.93Å; L4-S7 PolarHBondContact O-N 3.32Å; I5-S7 PolarHBondContact O-N 3.01Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 2.83Å; S7-M10 PolarHBondContact O-N 3.4Å; S7-E11 VanDerWaalsContact O-CB 3.29Å; S7-E11 WeakPolarHBondContact O-CB 3.39Å; S7-E11 PolarHBondContact O-N 2.95Å
8L94.2Very high91.3Very high21 Ų2170.2 Ų70.211%0.1137%0.374CS..Hα-helixtrans-59-44176.8175.665.5000111.5L4 I5 N6 A12 M92 L95 K96 V99L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 PolarHBondContact O-N 3.45Å; I5-L8 WeakPolarHBondContact O-CB 3.41Å; I5-L8 PolarHBondContact O-N 3.19Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.07Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 3.23Å; L8-M92 HydrophobicContact CD2-CE 4.11Å; L8-L95 HydrophobicContact CD2-CD2 4.07Å; L8-L95 HydrophobicContact CD2-CG 3.86Å; L8-K96 HydrophobicContact CD1-CB 4.47Å; L8-K96 HydrophobicContact CD1-CG 4.1Å; L8-K96 HydrophobicContact CD2-CB 4.45Å; L8-V99 HydrophobicContact CD1-CG1 4.47Å; L8-V99 HydrophobicContact CD2-CB 4.32Å; L8-V99 HydrophobicContact CD2-CG2 4.13Å; L8-V99 HydrophobicContact CG-CB 4.39Å; L8-V99 HydrophobicContact CG-CG1 4.14Å
9F92.1Very high91.2Very high18 Ų1870.3 Ų70.38%0.07939%0.385CS..Hα-helixtrans-67.4-47.7178.3-68-53.2000112.8I5 N6 S7 E11 A12 F13 F84 L95 V99 T118I5-F9 HydrophobicContact CG2-CD2 3.75Å; I5-F9 HydrophobicContact CG2-CE2 3.16Å; I5-F9 HydrophobicContact CG2-CZ 3.99Å; I5-F9 WeakPolarHBondContact O-CD2 3.42Å; I5-F9 PolarHBondContact O-N 2.71Å; I5-F9 VanDerWaalsContact O-N 3.1Å; N6-F9 PolarHBondContact O-N 2.82Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 2.83Å; F9-E11 VanDerWaalsContact C-N 3.29Å; F9-E11 PolarHBondContact O-N 3.01Å; F9-A12 PolarHBondContact O-N 3.12Å; F9-F13 HydrophobicContact CB-CD2 4.36Å; F9-F13 HydrophobicContact CD1-CD2 4.19Å; F9-F13 AromaticContact CD1-CE2 3.59Å; F9-F13 HydrophobicContact CD1-CE2 3.59Å; F9-F13 HydrophobicContact CD1-CZ 4.32Å; F9-F13 HydrophobicContact CE1-CE2 4.26Å; F9-F13 WeakPolarHBondContact O-CB 3.36Å; F9-F13 PolarHBondContact O-N 3.44Å; F9-F84 HydrophobicContact CD1-CD2 4.43Å; F9-F84 AromaticContact CD1-CE2 3.87Å; F9-F84 HydrophobicContact CD1-CE2 3.87Å; F9-F84 HydrophobicContact CD1-CZ 4.32Å; F9-F84 HydrophobicContact CE1-CD1 4.33Å; F9-F84 AromaticContact CE1-CD2 3.52Å; F9-F84 HydrophobicContact CE1-CD2 3.52Å; F9-F84 AromaticContact CE1-CE1 3.99Å; F9-F84 HydrophobicContact CE1-CE1 3.99Å; F9-F84 AromaticContact CE1-CE2 3.09Å; F9-F84 HydrophobicContact CE1-CE2 3.09Å; F9-F84 HydrophobicContact CE1-CG 4.12Å; F9-F84 AromaticContact CE1-CZ 3.36Å; F9-F84 HydrophobicContact CE1-CZ 3.36Å; F9-F84 HydrophobicContact CE2-CD2 4.06Å; F9-F84 HydrophobicContact CE2-CE2 4.42Å; F9-F84 HydrophobicContact CE2-CG 4.49Å; F9-F84 HydrophobicContact CZ-CB 4.3Å; F9-F84 HydrophobicContact CZ-CD1 4.05Å; F9-F84 AromaticContact CZ-CD2 3.3Å; F9-F84 HydrophobicContact CZ-CD2 3.3Å; F9-F84 HydrophobicContact CZ-CE1 4.18Å; F9-F84 AromaticContact CZ-CE2 3.45Å; F9-F84 HydrophobicContact CZ-CE2 3.45Å; F9-F84 VanDerWaalsContact CZ-CE2 3.45Å; F9-F84 AromaticContact CZ-CG 3.62Å; F9-F84 HydrophobicContact CZ-CG 3.62Å; F9-F84 AromaticContact CZ-CZ 3.89Å; F9-F84 HydrophobicContact CZ-CZ 3.89Å; F9-L95 HydrophobicContact CZ-CD1 4.49Å; F9-V99 HydrophobicContact CD1-CG1 4.14Å; F9-V99 HydrophobicContact CD1-CG2 3.94Å; F9-V99 HydrophobicContact CE1-CG1 4.42Å; F9-V99 HydrophobicContact CE1-CG2 3.39Å; F9-V99 HydrophobicContact CZ-CG2 4.29Å; F9-T118 HydrophobicContact CE2-CG2 4.01Å; F9-T118 WeakPolarHBondContact CE2-OG1 3.32Å
10M91.8Very high90.7Very high55 Ų5573.1 Ų73.127%0.27140%0.396SS..Hα-helixtrans-62.3-37.6-179.8-69.4-59.3-55.600112.1N6 S7 A14 L18 Q21N6-M10 VanDerWaalsContact O-CG 3.32Å; N6-M10 WeakPolarHBondContact O-CG 3.37Å; N6-M10 PolarHBondContact O-N 3.45Å; S7-M10 PolarHBondContact O-N 3.4Å; M10-A14 WeakPolarHBondContact O-CA 3.43Å; M10-A14 WeakPolarHBondContact O-CB 3.48Å; M10-A14 PolarHBondContact O-N 2.81Å; M10-L18 HydrophobicContact CE-CD2 4.27Å; M10-L18 HydrophobicContact CE-CG 3.89Å; M10-L18 WeakPolarHBondContact CE-O 3.43Å; M10-L18 HydrophobicContact SD-CD1 4.31Å; M10-L18 HydrophobicContact SD-CD2 3.98Å; M10-L18 HydrophobicContact SD-CG 3.83Å; M10-Q21 HydrophobicContact CE-CG 3.79Å; M10-Q21 HydrophobicContact SD-CG 4.48Å; M10-Q21 PolarHBondContact SD-NE2 3.31Å
11E94.8Very high89.9Confident157 Ų15776.2 Ų76.273%0.73441%0.408SS*.Hα-helixtrans-71.6-50176.9-173.3-177.8169.900111.5S7 F9 F13S7-E11 VanDerWaalsContact O-CB 3.29Å; S7-E11 WeakPolarHBondContact O-CB 3.39Å; S7-E11 PolarHBondContact O-N 2.95Å; F9-E11 VanDerWaalsContact C-N 3.29Å; F9-E11 PolarHBondContact O-N 3.01Å; E11-F13 PolarHBondContact O-N 3.42Å
12A96.3Very high90.7Very high22 Ų2273.1 Ų73.118%0.18239%0.391CS..Hα-helixtrans-68.6-36.4-174.400000113L8 F9 V99 A103L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 3.23Å; F9-A12 PolarHBondContact O-N 3.12Å; A12-V99 HydrophobicContact CB-CG1 3.42Å; A12-V99 VanDerWaalsContact CB-CG1 3.42Å; A12-A103 HydrophobicContact CB-CB 4.27Å; A12-A103 VanDerWaalsContact O-CB 3.28Å; A12-A103 WeakPolarHBondContact O-CB 3.25Å
13F96.4Very high91.3Very high17 Ų1777.2 Ų77.28%0.07542%0.416CS..THydrogen-bonded Turntrans-10211.4-176-54.9-32.2000113.6F9 E11 N15 L18 F84 V99 M102 A103 I113F9-F13 HydrophobicContact CB-CD2 4.36Å; F9-F13 HydrophobicContact CD1-CD2 4.19Å; F9-F13 AromaticContact CD1-CE2 3.59Å; F9-F13 HydrophobicContact CD1-CE2 3.59Å; F9-F13 HydrophobicContact CD1-CZ 4.32Å; F9-F13 HydrophobicContact CE1-CE2 4.26Å; F9-F13 WeakPolarHBondContact O-CB 3.36Å; F9-F13 PolarHBondContact O-N 3.44Å; E11-F13 PolarHBondContact O-N 3.42Å; F13-N15 PolarHBondContact O-N 3.46Å; F13-N15 PolarHBondContact O-ND2 2.83Å; F13-L18 HydrophobicContact CB-CD2 3.86Å; F13-F84 HydrophobicContact CE2-CE2 4.39Å; F13-V99 HydrophobicContact CE1-CG1 3.97Å; F13-V99 HydrophobicContact CE2-CG1 4.35Å; F13-V99 HydrophobicContact CZ-CG1 3.77Å; F13-M102 HydrophobicContact CE1-CB 3.76Å; F13-M102 HydrophobicContact CZ-CB 3.86Å; F13-M102 HydrophobicContact CZ-SD 4.29Å; F13-A103 HydrophobicContact CD1-CB 3.77Å; F13-A103 HydrophobicContact CE1-CB 3.81Å; F13-I113 HydrophobicContact CB-CB 4.3Å; F13-I113 HydrophobicContact CD1-CD1 3.58Å; F13-I113 HydrophobicContact CD2-CB 4.48Å; F13-I113 HydrophobicContact CD2-CD1 4.21Å; F13-I113 HydrophobicContact CD2-CG2 4.05Å; F13-I113 HydrophobicContact CE1-CD1 3.58Å; F13-I113 HydrophobicContact CE2-CD1 4.2Å; F13-I113 HydrophobicContact CE2-CG2 4.48Å; F13-I113 HydrophobicContact CG-CB 4.28Å; F13-I113 HydrophobicContact CG-CD1 3.91Å; F13-I113 HydrophobicContact CG-CG2 4.35Å; F13-I113 HydrophobicContact CZ-CD1 3.89Å
14A96.9Very high91.8Very high75 Ų7574.4 Ų74.462%0.6240%0.402SS*.  trans-47.2120.8-175.200000113.3M10M10-A14 WeakPolarHBondContact O-CA 3.43Å; M10-A14 WeakPolarHBondContact O-CB 3.48Å; M10-A14 PolarHBondContact O-N 2.81Å
15N97.2Very high92.2Very high28 Ų2870 Ų7015%0.1538%0.384CS..  trans-156.3165.517664.870.9000110.2F13 W17 L18 A19 I113F13-N15 PolarHBondContact O-N 3.46Å; F13-N15 PolarHBondContact O-ND2 2.83Å; N15-W17 VanDerWaalsContact C-N 3.26Å; N15-W17 HydrophobicContact CB-CE3 4.21Å; N15-W17 PolarHBondContact O-N 2.79Å; N15-W17 WeakPolarHBondContact OD1-CB 3.47Å; N15-W17 PolarHBondContact OD1-N 2.72Å; N15-W17 VanDerWaalsContact OD1-N 3.1Å; N15-L18 PolarHBondContact O-N 3.3Å; N15-L18 PolarHBondContact OD1-N 3.33Å; N15-A19 PolarHBondContact O-N 3.35Å; N15-A19 VanDerWaalsContact O-N 3.15Å; N15-I113 PolarHBondContact ND2-O 2.86Å
16P96.9Very high92.8Very high105 Ų10576.9 Ų76.968%0.68241%0.409SS*.THydrogen-bonded Turntrans-58.5-32.7-175.3-27.436.4000114.8
17W96.6Very high93.2Very high84 Ų8475.4 Ų75.432%0.31840%0.401SS..THydrogen-bonded Turntrans-75-39.5-179.3-56.9-80.6000112.1N15 A19 L27 Y79 A112 V114N15-W17 VanDerWaalsContact C-N 3.26Å; N15-W17 HydrophobicContact CB-CE3 4.21Å; N15-W17 PolarHBondContact O-N 2.79Å; N15-W17 WeakPolarHBondContact OD1-CB 3.47Å; N15-W17 PolarHBondContact OD1-N 2.72Å; N15-W17 VanDerWaalsContact OD1-N 3.1Å; W17-A19 VanDerWaalsContact C-N 3.28Å; W17-A19 PolarHBondContact O-N 3.27Å; W17-L27 HydrophobicContact CG-CD2 4.19Å; W17-Y79 HydrophobicContact CD2-CE1 4.3Å; W17-Y79 AromaticContact CE2-CE1 3.88Å; W17-Y79 HydrophobicContact CH2-CE1 4.07Å; W17-Y79 AromaticContact CZ2-CE1 3.77Å; W17-Y79 HydrophobicContact CZ2-CE1 3.77Å; W17-Y79 HydrophobicContact CZ3-CE1 4.45Å; W17-A112 HydrophobicContact CE3-CB 3.64Å; W17-A112 HydrophobicContact CZ3-CB 3.51Å; W17-V114 HydrophobicContact CB-CB 3.88Å; W17-V114 HydrophobicContact CB-CG1 3.78Å; W17-V114 HydrophobicContact CD2-CG1 4.04Å; W17-V114 HydrophobicContact CE3-CG1 4.05Å; W17-V114 HydrophobicContact CG-CB 4.49Å; W17-V114 HydrophobicContact CG-CG1 3.93Å
18L92.9Very high93.4Very high23 Ų2376.4 Ų76.412%0.1240%0.401CS..G310 helixtrans-71.8-25.4179-165.566.4000112.1M10 F13 N15 E20 Q21M10-L18 HydrophobicContact CE-CD2 4.27Å; M10-L18 HydrophobicContact CE-CG 3.89Å; M10-L18 WeakPolarHBondContact CE-O 3.43Å; M10-L18 HydrophobicContact SD-CD1 4.31Å; M10-L18 HydrophobicContact SD-CD2 3.98Å; M10-L18 HydrophobicContact SD-CG 3.83Å; F13-L18 HydrophobicContact CB-CD2 3.86Å; N15-L18 PolarHBondContact O-N 3.3Å; N15-L18 PolarHBondContact OD1-N 3.33Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.09Å; L18-Q21 WeakPolarHBondContact O-CG 3.37Å; L18-Q21 PolarHBondContact O-N 3.44Å
19A89.7Confident93.6Very high71 Ų7181.5 Ų81.559%0.58743%0.428SS*.G310 helixtrans-68.5-23.6-178.200000114.5N15 W17 Q21N15-A19 PolarHBondContact O-N 3.35Å; N15-A19 VanDerWaalsContact O-N 3.15Å; W17-A19 VanDerWaalsContact C-N 3.28Å; W17-A19 PolarHBondContact O-N 3.27Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; A19-Q21 PolarHBondContact O-N 3.18Å
20E81.3Confident93.9Very high127 Ų12784.1 Ų84.159%0.59345%0.453SS*.G310 helixtrans-69.4-25.8-179.4-171.566.8-13900112.6L18 E22L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.09Å; E20-E22 PolarHBondContact O-N 3.07Å
21Q73.1Confident94.2Very high138 Ų13886.1 Ų86.165%0.64546%0.462SS*.  trans46.552.8173.8-66.5-160.8-46.800116M10 L18 A19M10-Q21 HydrophobicContact CE-CG 3.79Å; M10-Q21 HydrophobicContact SD-CG 4.48Å; M10-Q21 PolarHBondContact SD-NE2 3.31Å; L18-Q21 WeakPolarHBondContact O-CG 3.37Å; L18-Q21 PolarHBondContact O-N 3.44Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; A19-Q21 PolarHBondContact O-N 3.18Å
22E92.2Very high94.4Very high90 Ų9079.2 Ų79.242%0.42143%0.43SS..SBendtrans-100.9-172.3162.7-71.2-170.7143.300111.6E20 Q24 R26E20-E22 PolarHBondContact O-N 3.07Å; E22-Q24 PolarHBondContact O-N 2.77Å; E22-Q24 VanDerWaalsContact O-N 3.14Å; E22-R26 IonicContact OE1-CZ 3.78Å; E22-R26 IonicContact OE1-NH2 2.98Å; E22-R26 PolarHBondContact OE1-NH2 3.1Å; E22-R26 IonicContact OE2-CZ 2.94Å; E22-R26 IonicContact OE2-NE 3.36Å; E22-R26 PolarHBondContact OE2-NE 2.9Å; E22-R26 IonicContact OE2-NH2 3.89Å; E22-R26 PolarHBondContact OE2-NH2 3.13Å
23D93.7Very high94.5Very high164 Ų16483.3 Ų83.388%0.87745%0.452SS*.SBendtrans-66.5-9.1176.6-63.3-43.5000113.3
24Q96.9Very high94.6Very high98 Ų9886.7 Ų86.746%0.45848%0.483SS..SBendtrans-150.7153.2-176.171.3-76.62.200112.6E22E22-Q24 PolarHBondContact O-N 2.77Å; E22-Q24 VanDerWaalsContact O-N 3.14Å
25A96.4Very high94.7Very high29 Ų2985.7 Ų85.724%0.2447%0.466CS..  trans-76.4148.1163.700000110.6L27 V114A25-L27 HydrophobicContact CB-CD2 4.39Å; A25-V114 HydrophobicContact CB-CB 3.83Å; A25-V114 HydrophobicContact CB-CG2 3.71Å
26R97.3Very high94.7Very high152 Ų15284.8 Ų84.857%0.57446%0.463SS*.  trans-116.7115.4174.4-60.3176.3-178.1-168.7-4.3108.7E22E22-R26 IonicContact OE1-CZ 3.78Å; E22-R26 IonicContact OE1-NH2 2.98Å; E22-R26 PolarHBondContact OE1-NH2 3.1Å; E22-R26 IonicContact OE2-CZ 2.94Å; E22-R26 IonicContact OE2-NE 3.36Å; E22-R26 PolarHBondContact OE2-NE 2.9Å; E22-R26 IonicContact OE2-NH2 3.89Å; E22-R26 PolarHBondContact OE2-NH2 3.13Å
27L97.7Very high94.8Very high44 Ų4484.7 Ų84.723%0.2346%0.457CS..  trans-110.6146.7-173-52.2177000110.8W17 A25 L29 Y79 V114 M136W17-L27 HydrophobicContact CG-CD2 4.19Å; A25-L27 HydrophobicContact CB-CD2 4.39Å; L27-L29 PolarHBondContact O-N 3.49Å; L27-Y79 HydrophobicContact CB-CE2 4.45Å; L27-Y79 HydrophobicContact CD1-CD2 3.66Å; L27-Y79 HydrophobicContact CD1-CE2 4.15Å; L27-Y79 HydrophobicContact CD1-CG 3.9Å; L27-Y79 HydrophobicContact CD2-CD1 3.95Å; L27-Y79 HydrophobicContact CD2-CD2 4.31Å; L27-Y79 HydrophobicContact CD2-CE1 4.02Å; L27-Y79 HydrophobicContact CD2-CE2 4.36Å; L27-Y79 HydrophobicContact CD2-CG 4.08Å; L27-Y79 HydrophobicContact CG-CD2 4.45Å; L27-V114 HydrophobicContact CD2-CB 4.34Å; L27-V114 HydrophobicContact CD2-CG1 4.1Å; L27-V114 HydrophobicContact CD2-CG2 4.26Å; L27-M136 HydrophobicContact CD1-CE 4.34Å; L27-M136 HydrophobicContact CD1-SD 3.68Å
28D97.7Very high94.9Very high87 Ų8785 Ų8547%0.46546%0.458SS..  trans-75.7107.4179.3-169.4-41000110.7A30 Q31 L32D28-A30 WeakPolarHBondContact OD1-CA 3.46Å; D28-A30 VanDerWaalsContact OD1-CB 3.32Å; D28-A30 WeakPolarHBondContact OD1-CB 3.22Å; D28-A30 PolarHBondContact OD1-N 3.37Å; D28-Q31 HydrophobicContact CB-CB 4.1Å; D28-Q31 PolarHBondContact OD1-N 3.28Å; D28-L32 PolarHBondContact O-N 2.97Å
29L98.4Very high95.2Very high128 Ų12888.2 Ų88.267%0.6748%0.475SS*.Hα-helixtrans-68.9-31.9178.4-70.5177.2000112.9L27 Q31 L32 V33L27-L29 PolarHBondContact O-N 3.49Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.8Å; L29-L32 PolarHBondContact O-N 3.14Å; L29-V33 WeakPolarHBondContact O-CB 3.48Å; L29-V33 VanDerWaalsContact O-CG2 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 2.9Å
30A98.4Very high95.6Very high73 Ų7385.3 Ų85.360%0.60345%0.451SS*.Hα-helixtrans-66.9-37.4179.900000110.7D28 A34D28-A30 WeakPolarHBondContact OD1-CA 3.46Å; D28-A30 VanDerWaalsContact OD1-CB 3.32Å; D28-A30 WeakPolarHBondContact OD1-CB 3.22Å; D28-A30 PolarHBondContact OD1-N 3.37Å; A30-A34 WeakPolarHBondContact O-CB 3.28Å; A30-A34 PolarHBondContact O-N 3.17Å; A30-A34 VanDerWaalsContact O-N 3.09Å
31Q98Very high96.4Very high97 Ų9785.9 Ų85.945%0.45345%0.452SS..Hα-helixtrans-63.3-45.3174-172.8177.9-7.700112D28 L29 A34 E35D28-Q31 HydrophobicContact CB-CB 4.1Å; D28-Q31 PolarHBondContact OD1-N 3.28Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.8Å; Q31-A34 PolarHBondContact O-N 2.94Å; Q31-E35 PolarHBondContact O-N 2.93Å
32L98.4Very high97.7Very high12 Ų1280.6 Ų80.66%0.06343%0.43CS..Hα-helixtrans-64.4-44.8178.8-74.2169.4000112.2D28 L29 A34 E35 G36 L39 Y79 A138D28-L32 PolarHBondContact O-N 2.97Å; L29-L32 PolarHBondContact O-N 3.14Å; L32-A34 PolarHBondContact O-N 3.15Å; L32-E35 PolarHBondContact O-N 2.91Å; L32-E35 VanDerWaalsContact O-N 3.09Å; L32-G36 PolarHBondContact O-N 2.7Å; L32-L39 HydrophobicContact CD1-CD1 4.29Å; L32-L39 HydrophobicContact CD2-CD1 4.38Å; L32-Y79 HydrophobicContact CD1-CE2 4.3Å; L32-Y79 HydrophobicContact CD2-CE2 4.03Å; L32-Y79 HydrophobicContact CG-CE2 4.33Å; L32-A138 HydrophobicContact CD2-CB 4.4Å; L32-A138 VanDerWaalsContact O-CB 3.23Å; L32-A138 WeakPolarHBondContact O-CB 3.26Å
33V98.3Very high98Very high108 Ų10879.9 Ų79.966%0.65543%0.432SS*.Hα-helixtrans-64.4-29.8178.7171.30000111.9L29 E35 G36L29-V33 WeakPolarHBondContact O-CB 3.48Å; L29-V33 VanDerWaalsContact O-CG2 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 2.9Å; V33-E35 VanDerWaalsContact C-N 3.27Å; V33-E35 PolarHBondContact O-N 2.82Å; V33-G36 CarbonylContact C-O 3.54Å; V33-G36 WeakPolarHBondContact CA-O 3.47Å; V33-G36 VanDerWaalsContact O-O 3.1Å
34A98.5Very high98.2Very high88 Ų8875 Ų7573%0.72741%0.406SS*.Hα-helixtrans-69.3-24.1175.400000113.2A30 Q31 L32A30-A34 WeakPolarHBondContact O-CB 3.28Å; A30-A34 PolarHBondContact O-N 3.17Å; A30-A34 VanDerWaalsContact O-N 3.09Å; Q31-A34 PolarHBondContact O-N 2.94Å; L32-A34 PolarHBondContact O-N 3.15Å
35E98.3Very high98.3Very high53 Ų5373.5 Ų73.525%0.24841%0.407CS..Hα-helixtrans-86.1-27.5177.5-70.7-172.2168.400112.9Q31 L32 V33 R78 A138Q31-E35 PolarHBondContact O-N 2.93Å; L32-E35 PolarHBondContact O-N 2.91Å; L32-E35 VanDerWaalsContact O-N 3.09Å; V33-E35 VanDerWaalsContact C-N 3.27Å; V33-E35 PolarHBondContact O-N 2.82Å; E35-R78 IonicContact OE1-CZ 3.34Å; E35-R78 IonicContact OE1-NE 3.74Å; E35-R78 PolarHBondContact OE1-NE 2.82Å; E35-R78 IonicContact OE1-NH2 3.19Å; E35-R78 PolarHBondContact OE1-NH2 2.98Å; E35-R78 IonicContact OE2-NE 3.19Å; E35-R78 PolarHBondContact OE2-NE 2.86Å; E35-R78 IonicContact OE2-NH2 2.71Å; E35-A138 HydrophobicContact CB-CB 3.78Å
36G98.4Very high98.4Very high10 Ų1072.2 Ų72.210%0.10340%0.396CS..  trans-175167.1-171.200000114.9L32 V33 I139L32-G36 PolarHBondContact O-N 2.7Å; V33-G36 CarbonylContact C-O 3.54Å; V33-G36 WeakPolarHBondContact CA-O 3.47Å; V33-G36 VanDerWaalsContact O-O 3.1Å; G36-I139 CarbonylContact C-O 3.59Å; G36-I139 WeakPolarHBondContact CA-O 3.07Å
37D98.3Very high98.5Very high102 Ų10267 Ų6755%0.54538%0.381SS..SBendtrans-99.3-9.9-175.169.8-29.1000113.7I139 A141D37-I139 PolarHBondContact N-O 2.81Å; D37-A141 HydrophobicContact CB-CB 4.27Å; D37-A141 WeakPolarHBondContact OD1-CA 3.35Å
38R98.7Very high98.5Very high90 Ų9065 Ų6534%0.3437%0.37SS..EExtended strand (participates in β ladder)trans-131.8142.5-179.5-70.4157.7-75.6160.23109.5A138 I139 P140 I143R38-A138 CarbonylContact O-C 3.56Å; R38-A138 WeakPolarHBondContact O-CA 3.46Å; R38-I139 HydrophobicContact CB-CB 4.15Å; R38-I139 HydrophobicContact CB-CD1 4.08Å; R38-I139 HydrophobicContact CB-CG1 4.44Å; R38-I139 PolarHBondContact O-N 2.94Å; R38-P140 PolarHBondContact NH2-O 3.25Å; R38-P140 VanDerWaalsContact NH2-O 3.13Å; R38-I143 PolarHBondContact NH1-O 3.32Å; R38-I143 VanDerWaalsContact NH1-O 3.1Å; R38-I143 PolarHBondContact NH2-O 2.78Å
39L98.8Very high98.5Very high92 Ų9262.4 Ų62.448%0.48236%0.356SS..EExtended strand (participates in β ladder)trans-96.5111.4174.5-170.969000109L32 M136L32-L39 HydrophobicContact CD1-CD1 4.29Å; L32-L39 HydrophobicContact CD2-CD1 4.38Å; L39-M136 HydrophobicContact CD1-CB 4.06Å; L39-M136 HydrophobicContact CD1-CG 4.49Å; L39-M136 HydrophobicContact CD1-SD 4.44Å; L39-M136 HydrophobicContact CD2-SD 4.24Å; L39-M136 HydrophobicContact CG-CB 4.27Å
40A98.8Very high98.5Very high10 Ų1058 Ų588%0.08334%0.335CS..EExtended strand (participates in β ladder)trans-68.4130.8165.400000108.2V70 S73 A75 M136 G137 I139A40-V70 HydrophobicContact CB-CG1 4.03Å; A40-S73 WeakPolarHBondContact CB-OG 3.27Å; A40-A75 HydrophobicContact CB-CB 3.99Å; A40-M136 WeakPolarHBondContact O-CA 3.4Å; A40-M136 WeakPolarHBondContact O-CB 3.48Å; A40-G137 WeakPolarHBondContact CB-O 3.37Å; A40-G137 PolarHBondContact N-O 3.46Å; A40-G137 PolarHBondContact O-N 2.8Å; A40-I139 HydrophobicContact CB-CD1 3.99Å; A40-I139 HydrophobicContact CB-CG1 3.82Å
41F98.8Very high98.5Very high138 Ų13855 Ų5561%0.60531%0.309SS*.EExtended strand (participates in β ladder)trans-141.7121.4179.2-175.1-126.9000109.1A134 G135 M136F41-A134 HydrophobicContact CE2-CB 4.01Å; F41-A134 HydrophobicContact CZ-CB 4.17Å; F41-G135 VanDerWaalsContact CA-O 3.31Å; F41-G135 WeakPolarHBondContact CA-O 3.4Å; F41-G135 VanDerWaalsContact CD2-O 3.28Å; F41-G135 WeakPolarHBondContact CD2-O 3.44Å; F41-M136 HydrophobicContact CD2-CB 4.07Å; F41-M136 HydrophobicContact CD2-CE 4.22Å; F41-M136 HydrophobicContact CE2-CE 4.08Å
42S98.8Very high98.6Very high28 Ų2854.6 Ų54.620%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-129.7162.8176.5-165.60000110.8D69 A134 G135S42-D69 VanDerWaalsContact CB-CB 3.47Å; S42-D69 WeakPolarHBondContact OG-CB 3.49Å; S42-D69 PolarHBondContact OG-OD2 3.42Å; S42-A134 CarbonylContact O-C 3.48Å; S42-A134 WeakPolarHBondContact O-CA 3.28Å; S42-A134 WeakPolarHBondContact O-CB 3.3Å; S42-G135 PolarHBondContact N-O 3.3Å; S42-G135 PolarHBondContact O-N 2.67Å
43T98.8Very high98.6Very high75 Ų7554.8 Ų54.846%0.4631%0.306SS..EExtended strand (participates in β ladder)trans-145.3146166.7-174.90000109.9N132 T133T43-N132 PolarHBondContact OG1-ND2 2.96Å; T43-T133 CarbonylContact C-O 3.46Å; T43-T133 WeakPolarHBondContact CA-O 3.5Å; T43-T133 WeakPolarHBondContact CB-O 3.25Å; T43-T133 PolarHBondContact OG1-O 3.49Å
44D98.4Very high98.6Very high60 Ų6052.3 Ų52.332%0.32129%0.292SS..EExtended strand (participates in β ladder)trans-145.8157.1175.2-148.9-1.9000111.6Y46 N132 T133D44-Y46 HydrophobicContact CB-CE2 4.02Å; D44-Y46 WeakPolarHBondContact CB-OH 3.11Å; D44-N132 WeakPolarHBondContact O-CA 3.43Å; D44-N132 PolarHBondContact O-ND2 2.86Å; D44-T133 PolarHBondContact N-O 2.86Å; D44-T133 PolarHBondContact O-N 2.91Å
45S98.7Very high98.6Very high68 Ų6849.7 Ų49.748%0.47627%0.274SS..EExtended strand (participates in β ladder)trans-119.7130.8179-57.30000110.9I131 N132S45-I131 CarbonylContact C-O 3.49Å; S45-I131 WeakPolarHBondContact CA-O 3.29Å; S45-N132 PolarHBondContact OG-ND2 2.85Å; S45-N132 VanDerWaalsContact OG-ND2 3.14Å
46Y98.8Very high98.6Very high2 Ų247.8 Ų47.81%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-109.4120.1-173.2-55.6-83.9000109D44 L61 A62 G65 T66 I131 T133 C322D44-Y46 HydrophobicContact CB-CE2 4.02Å; D44-Y46 WeakPolarHBondContact CB-OH 3.11Å; Y46-L61 HydrophobicContact CD1-CB 4.42Å; Y46-L61 HydrophobicContact CD1-CD2 3.86Å; Y46-L61 HydrophobicContact CD1-CG 3.64Å; Y46-L61 HydrophobicContact CE1-CG 4.02Å; Y46-A62 HydrophobicContact CD2-CB 3.52Å; Y46-A62 VanDerWaalsContact CE2-CA 3.45Å; Y46-A62 HydrophobicContact CE2-CB 3.86Å; Y46-A62 HydrophobicContact CG-CB 3.96Å; Y46-G65 WeakPolarHBondContact OH-CA 3.44Å; Y46-T66 PolarHBondContact OH-N 2.92Å; Y46-T66 PolarHBondContact OH-OG1 3.4Å; Y46-I131 PolarHBondContact N-O 3.11Å; Y46-I131 PolarHBondContact O-N 3.36Å; Y46-T133 VanDerWaalsContact CE2-OG1 3.22Å; Y46-T133 WeakPolarHBondContact CE2-OG1 3.46Å; Y46-C322 WeakPolarHBondContact CA-OXT 3.36Å
47V98.6Very high98.6Very high43 Ų4348.1 Ų48.126%0.26127%0.268SS..  trans-130.612.7-175.5-61.20000112F130 R320 C322V47-F130 HydrophobicContact CB-CD1 3.87Å; V47-F130 HydrophobicContact CB-CE1 3.9Å; V47-F130 HydrophobicContact CB-CG 4.45Å; V47-F130 HydrophobicContact CB-CZ 4.44Å; V47-F130 HydrophobicContact CG1-CB 4.25Å; V47-F130 HydrophobicContact CG1-CD1 3.67Å; V47-F130 HydrophobicContact CG1-CD2 4.05Å; V47-F130 HydrophobicContact CG1-CE1 4.01Å; V47-F130 HydrophobicContact CG1-CE2 4.3Å; V47-F130 HydrophobicContact CG1-CG 3.74Å; V47-F130 HydrophobicContact CG1-CZ 4.32Å; V47-R320 HydrophobicContact CG2-CB 4.4Å; V47-R320 HydrophobicContact CG2-CG 3.99Å; V47-R320 WeakPolarHBondContact O-CB 3.4Å; V47-R320 PolarHBondContact O-NE 2.9Å; V47-R320 PolarHBondContact O-NH2 2.78Å; V47-R320 VanDerWaalsContact O-NH2 3.16Å; V47-C322 VanDerWaalsContact CG2-O 3.27Å; V47-C322 WeakPolarHBondContact CG2-O 3.44Å; V47-C322 PolarHBondContact N-O 3.11Å; V47-C322 PolarHBondContact N-OXT 3.39Å; V47-C322 VanDerWaalsContact N-OXT 3.1Å
48I98.6Very high98.7Very high0 Ų043.2 Ų43.20%024%0.242CC..  trans-43.4138.4-178.3-167.1161.1000114.1F53 I58 L61 H165 I169 R320 I321 C322I48-F53 HydrophobicContact CD1-CD1 3.93Å; I48-F53 HydrophobicContact CD1-CE1 3.41Å; I48-F53 VanDerWaalsContact CD1-CE1 3.41Å; I48-F53 HydrophobicContact CD1-CZ 3.8Å; I48-F53 HydrophobicContact CG1-CE1 4.27Å; I48-F53 HydrophobicContact CG2-CE1 4.34Å; I48-I58 HydrophobicContact CG2-CB 3.67Å; I48-I58 HydrophobicContact CG2-CD1 4.01Å; I48-I58 HydrophobicContact CG2-CG1 3.76Å; I48-L61 HydrophobicContact CB-CD2 4.03Å; I48-L61 HydrophobicContact CD1-CD2 3.81Å; I48-L61 HydrophobicContact CG2-CD2 3.92Å; I48-H165 VanDerWaalsContact CD1-CE1 3.44Å; I48-H165 WeakPolarHBondContact CD1-CE1 3.49Å; I48-I169 HydrophobicContact CD1-CD1 3.86Å; I48-I169 HydrophobicContact CD1-CG1 4.15Å; I48-I169 HydrophobicContact CG1-CD1 4.38Å; I48-R320 WeakPolarHBondContact CA-O 3.46Å; I48-I321 WeakPolarHBondContact CD1-O 3.46Å; I48-I321 VanDerWaalsContact CG1-O 3.22Å; I48-I321 WeakPolarHBondContact CG1-O 3.37Å; I48-C322 WeakPolarHBondContact CB-OXT 3.35Å; I48-C322 PolarHBondContact N-O 3.18Å; I48-C322 PolarHBondContact N-OXT 3.11Å; I48-C322 VanDerWaalsContact N-OXT 3.08Å
49D98.3Very high98.7Very high34 Ų3439 Ų3918%0.18223%0.225CC..SBendtrans-131.5118.4170.7177.446.1000109.5R173 R320D49-R173 VanDerWaalsContact O-CD 3.26Å; D49-R173 WeakPolarHBondContact O-CD 3.16Å; D49-R173 WeakPolarHBondContact O-CG 3.43Å; D49-R173 PolarHBondContact O-NH1 3.15Å; D49-R173 IonicContact OD2-CZ 2.75Å; D49-R173 IonicContact OD2-NE 2.76Å; D49-R173 PolarHBondContact OD2-NE 3.4Å; D49-R173 IonicContact OD2-NH1 3.93Å; D49-R173 PolarHBondContact OD2-NH1 3.25Å; D49-R173 IonicContact OD2-NH2 2.86Å; D49-R320 HydrophobicContact CB-CB 4.38Å; D49-R320 PolarHBondContact N-O 2.61Å
50P98.5Very high98.7Very high34 Ų3437.2 Ų37.222%0.22121%0.214CC..SBendcis-81.7160.39.633-36.4000115.2F52 L172P50-F52 WeakPolarHBondContact CG-O 3.42Å; P50-F52 PolarHBondContact O-N 3.04Å; P50-L172 HydrophobicContact CG-CD1 3.92Å
51L98.7Very high98.7Very high12 Ų1236.7 Ų36.76%0.06321%0.21CC..SBendtrans-62.4-25.1177.8-59.6-175.8000113.8N57 I58 T94 K128 L129L51-N57 CarbonylContact O-C 3.48Å; L51-N57 WeakPolarHBondContact O-CA 3.34Å; L51-N57 VanDerWaalsContact O-CB 3.23Å; L51-N57 WeakPolarHBondContact O-CB 3.37Å; L51-I58 HydrophobicContact CB-CG2 4.3Å; L51-I58 HydrophobicContact CD2-CB 4.37Å; L51-I58 HydrophobicContact CD2-CD1 3.83Å; L51-I58 HydrophobicContact CD2-CG2 4.13Å; L51-I58 PolarHBondContact O-N 3.34Å; L51-T94 HydrophobicContact CD1-CG2 4.11Å; L51-K128 HydrophobicContact CD1-CB 3.99Å; L51-K128 HydrophobicContact CD1-CD 4.14Å; L51-K128 HydrophobicContact CG-CD 4.48Å; L51-L129 HydrophobicContact CD1-CB 4.25Å
52F98.8Very high98.7Very high88 Ų8830.1 Ų30.139%0.38618%0.181SC..EExtended strand (participates in β ladder)trans-129.9137.1178.7-63.2-96.2000109.5P50 N57 T94 A97 V98P50-F52 WeakPolarHBondContact CG-O 3.42Å; P50-F52 PolarHBondContact O-N 3.04Å; F52-N57 HydrophobicContact CD1-CB 3.52Å; F52-N57 HydrophobicContact CE1-CB 3.83Å; F52-N57 HydrophobicContact CG-CB 4.11Å; F52-T94 HydrophobicContact CE2-CG2 4.01Å; F52-A97 HydrophobicContact CE1-CB 3.98Å; F52-A97 HydrophobicContact CZ-CB 3.79Å; F52-V98 HydrophobicContact CE2-CG2 4.23Å; F52-V98 HydrophobicContact CZ-CG2 3.77Å
53F98.7Very high98.7Very high16 Ų1628.9 Ų28.97%0.0717%0.172CC..EExtended strand (participates in β ladder)trans-152.1162-174.945.9-89.8000110.3I48 G55 G56 I169 L172I48-F53 HydrophobicContact CD1-CD1 3.93Å; I48-F53 HydrophobicContact CD1-CE1 3.41Å; I48-F53 VanDerWaalsContact CD1-CE1 3.41Å; I48-F53 HydrophobicContact CD1-CZ 3.8Å; I48-F53 HydrophobicContact CG1-CE1 4.27Å; I48-F53 HydrophobicContact CG2-CE1 4.34Å; F53-G55 PolarHBondContact O-N 2.81Å; F53-G55 VanDerWaalsContact O-N 3.1Å; F53-G56 PolarHBondContact N-O 2.99Å; F53-G56 VanDerWaalsContact N-O 3.1Å; F53-G56 PolarHBondContact O-N 3.22Å; F53-G56 VanDerWaalsContact O-N 3.08Å; F53-I169 HydrophobicContact CB-CD1 3.9Å; F53-I169 HydrophobicContact CD1-CD1 4.03Å; F53-I169 HydrophobicContact CD2-CD1 4.22Å; F53-I169 HydrophobicContact CG-CD1 3.79Å; F53-L172 HydrophobicContact CB-CD1 3.66Å
54P98.6Very high98.7Very high55 Ų5525.3 Ų25.336%0.35715%0.15SC..THydrogen-bonded Turntrans-54.1119.8173.4-26.636.6000111.2T168 L182 V183 S184P54-T168 HydrophobicContact CB-CG2 4.23Å; P54-T168 HydrophobicContact CG-CG2 4.28Å; P54-L182 WeakPolarHBondContact CB-O 3.49Å; P54-V183 HydrophobicContact CB-CG2 4.31Å; P54-S184 WeakPolarHBondContact O-CB 3.3Å; P54-S184 PolarHBondContact O-N 3.48Å
55G98.3Very high98.7Very high33 Ų3322.5 Ų22.534%0.3414%0.136SC..THydrogen-bonded Turntrans97.2-10.8179.600000115.7F53 K60F53-G55 PolarHBondContact O-N 2.81Å; F53-G55 VanDerWaalsContact O-N 3.1Å; G55-K60 PolarHBondContact O-NZ 3.24Å
56G98.5Very high98.7Very high13 Ų1319.3 Ų19.313%0.13411%0.113CC..EExtended strand (participates in β ladder)trans-177.9-167.4-178.600000116.7F53F53-G56 PolarHBondContact N-O 2.99Å; F53-G56 VanDerWaalsContact N-O 3.1Å; F53-G56 PolarHBondContact O-N 3.22Å; F53-G56 VanDerWaalsContact O-N 3.08Å
57N98.9Very high98.7Very high17 Ų1719.2 Ų19.29%0.09111%0.113CC..EExtended strand (participates in β ladder)trans-156.3168.2174.15970.5000108.4L51 F52 G59 K60 L61 S101L51-N57 CarbonylContact O-C 3.48Å; L51-N57 WeakPolarHBondContact O-CA 3.34Å; L51-N57 VanDerWaalsContact O-CB 3.23Å; L51-N57 WeakPolarHBondContact O-CB 3.37Å; F52-N57 HydrophobicContact CD1-CB 3.52Å; F52-N57 HydrophobicContact CE1-CB 3.83Å; F52-N57 HydrophobicContact CG-CB 4.11Å; N57-G59 PolarHBondContact O-N 3.47Å; N57-G59 VanDerWaalsContact O-N 3.1Å; N57-G59 VanDerWaalsContact OD1-CA 3.31Å; N57-G59 WeakPolarHBondContact OD1-CA 3.47Å; N57-G59 PolarHBondContact OD1-N 3.49Å; N57-K60 PolarHBondContact O-N 3.09Å; N57-K60 PolarHBondContact OD1-N 2.83Å; N57-L61 WeakPolarHBondContact O-CB 3.37Å; N57-L61 PolarHBondContact O-N 3.48Å; N57-S101 VanDerWaalsContact ND2-CB 3.34Å; N57-S101 WeakPolarHBondContact ND2-CB 3.43Å; N57-S101 PolarHBondContact ND2-OG 2.86Å; N57-S101 WeakPolarHBondContact OD1-CB 3.39Å; N57-S101 PolarHBondContact OD1-OG 3.39Å
58I98.8Very high98.7Very high0 Ų017.2 Ų17.20%010%0.101CC..Hα-helixtrans-53.8-31.2179.8-168.7166.3000113.5I48 L51 A62 V98 L129 I131I48-I58 HydrophobicContact CG2-CB 3.67Å; I48-I58 HydrophobicContact CG2-CD1 4.01Å; I48-I58 HydrophobicContact CG2-CG1 3.76Å; L51-I58 HydrophobicContact CB-CG2 4.3Å; L51-I58 HydrophobicContact CD2-CB 4.37Å; L51-I58 HydrophobicContact CD2-CD1 3.83Å; L51-I58 HydrophobicContact CD2-CG2 4.13Å; L51-I58 PolarHBondContact O-N 3.34Å; I58-A62 WeakPolarHBondContact O-CB 3.5Å; I58-A62 PolarHBondContact O-N 3.11Å; I58-V98 HydrophobicContact CG2-CG1 3.9Å; I58-V98 HydrophobicContact CG2-CG2 3.79Å; I58-L129 HydrophobicContact CD1-CD2 3.85Å; I58-L129 WeakPolarHBondContact CD1-O 3.33Å; I58-L129 HydrophobicContact CG1-CD2 4.42Å; I58-L129 HydrophobicContact CG2-CD2 3.91Å; I58-I131 HydrophobicContact CD1-CG1 4.35Å; I58-I131 HydrophobicContact CG1-CD1 4.02Å; I58-I131 HydrophobicContact CG1-CG1 4.24Å; I58-I131 HydrophobicContact CG2-CD1 4.26Å
59G98.8Very high98.7Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-70.3-53.1177.400000112.2N57 L61 A62 I63 M102N57-G59 PolarHBondContact O-N 3.47Å; N57-G59 VanDerWaalsContact O-N 3.1Å; N57-G59 VanDerWaalsContact OD1-CA 3.31Å; N57-G59 WeakPolarHBondContact OD1-CA 3.47Å; N57-G59 PolarHBondContact OD1-N 3.49Å; G59-L61 PolarHBondContact O-N 2.97Å; G59-A62 PolarHBondContact O-N 3.23Å; G59-I63 PolarHBondContact O-N 3Å; G59-M102 VanDerWaalsContact C-CG 3.45Å; G59-M102 VanDerWaalsContact O-CG 3.29Å; G59-M102 WeakPolarHBondContact O-CG 3.33Å
60K98.9Very high98.7Very high55 Ų5517.6 Ų17.624%0.23910%0.103CC..Hα-helixtrans-55.2-45.1174.1-176-177.9170.9-167.10110.8G55 N57 A62 I63 C64 T105 C186G55-K60 PolarHBondContact O-NZ 3.24Å; N57-K60 PolarHBondContact O-N 3.09Å; N57-K60 PolarHBondContact OD1-N 2.83Å; K60-A62 PolarHBondContact O-N 3.44Å; K60-I63 PolarHBondContact O-N 2.59Å; K60-C64 WeakPolarHBondContact O-CB 3.39Å; K60-C64 PolarHBondContact O-N 2.87Å; K60-C64 PolarHBondContact O-SG 2.93Å; K60-T105 HydrophobicContact CG-CG2 4.25Å; K60-C186 WeakPolarHBondContact CE-O 3.32Å; K60-C186 PolarHBondContact NZ-O 3.22Å
61L98.8Very high98.8Very high0 Ų016 Ų160%09%0.093CC..Hα-helixtrans-56.3-47.3177.8-172.566.5000112.1Y46 I48 N57 G59 I63 C64 G65 E258 C322Y46-L61 HydrophobicContact CD1-CB 4.42Å; Y46-L61 HydrophobicContact CD1-CD2 3.86Å; Y46-L61 HydrophobicContact CD1-CG 3.64Å; Y46-L61 HydrophobicContact CE1-CG 4.02Å; I48-L61 HydrophobicContact CB-CD2 4.03Å; I48-L61 HydrophobicContact CD1-CD2 3.81Å; I48-L61 HydrophobicContact CG2-CD2 3.92Å; N57-L61 WeakPolarHBondContact O-CB 3.37Å; N57-L61 PolarHBondContact O-N 3.48Å; G59-L61 PolarHBondContact O-N 2.97Å; L61-I63 VanDerWaalsContact C-N 3.26Å; L61-I63 PolarHBondContact O-N 3.45Å; L61-C64 PolarHBondContact O-N 3.12Å; L61-C64 VanDerWaalsContact O-N 3.13Å; L61-G65 PolarHBondContact O-N 3.13Å; L61-E258 HydrophobicContact CD1-CB 3.93Å; L61-E258 HydrophobicContact CD1-CG 3.42Å; L61-E258 VanDerWaalsContact CD1-CG 3.42Å; L61-E258 VanDerWaalsContact CD1-OE2 3.27Å; L61-E258 WeakPolarHBondContact CD1-OE2 3.33Å; L61-C322 WeakPolarHBondContact CD2-OXT 3.31Å
62A98.8Very high98.8Very high0 Ų016.2 Ų16.20%09%0.094CC..Hα-helixtrans-61.4-32.218000000113.7Y46 I58 G59 K60 M102 I131 T133Y46-A62 HydrophobicContact CD2-CB 3.52Å; Y46-A62 VanDerWaalsContact CE2-CA 3.45Å; Y46-A62 HydrophobicContact CE2-CB 3.86Å; Y46-A62 HydrophobicContact CG-CB 3.96Å; I58-A62 WeakPolarHBondContact O-CB 3.5Å; I58-A62 PolarHBondContact O-N 3.11Å; G59-A62 PolarHBondContact O-N 3.23Å; K60-A62 PolarHBondContact O-N 3.44Å; A62-M102 HydrophobicContact CB-CE 3.96Å; A62-I131 HydrophobicContact CB-CB 4.2Å; A62-I131 HydrophobicContact CB-CD1 4.12Å; A62-I131 HydrophobicContact CB-CG2 3.87Å; A62-T133 HydrophobicContact CB-CG2 4.18Å; A62-T133 PolarHBondContact O-OG1 3.32Å
63I98.9Very high98.7Very high1 Ų113.3 Ų13.31%0.0059%0.085CC..Hα-helixtrans-77.5-46172.9-55-55.8000110.8G59 K60 L61 A67 L80 M102 T105 A106 I113G59-I63 PolarHBondContact O-N 3Å; K60-I63 PolarHBondContact O-N 2.59Å; L61-I63 VanDerWaalsContact C-N 3.26Å; L61-I63 PolarHBondContact O-N 3.45Å; I63-A67 WeakPolarHBondContact O-CB 3.27Å; I63-A67 PolarHBondContact O-N 3.11Å; I63-L80 HydrophobicContact CD1-CD1 3.7Å; I63-L80 HydrophobicContact CG2-CD1 4.11Å; I63-M102 HydrophobicContact CD1-CB 4.24Å; I63-M102 HydrophobicContact CD1-CE 3.69Å; I63-M102 HydrophobicContact CG1-CB 4.08Å; I63-M102 HydrophobicContact CG1-CE 4.28Å; I63-M102 HydrophobicContact CG1-CG 4.27Å; I63-T105 HydrophobicContact CB-CG2 3.88Å; I63-T105 HydrophobicContact CG2-CG2 3.75Å; I63-A106 HydrophobicContact CD1-CB 4.33Å; I63-A106 HydrophobicContact CG2-CB 4.21Å; I63-I113 HydrophobicContact CD1-CD1 3.93Å; I63-I113 HydrophobicContact CD1-CG1 4.44Å
64C98.9Very high98.7Very high0 Ų012.5 Ų12.50%08%0.082CC..Hα-helixtrans-62.1-54.8-175.7-70.70000112.6K60 L61 T66 A67 N68 V188K60-C64 WeakPolarHBondContact O-CB 3.39Å; K60-C64 PolarHBondContact O-N 2.87Å; K60-C64 PolarHBondContact O-SG 2.93Å; L61-C64 PolarHBondContact O-N 3.12Å; L61-C64 VanDerWaalsContact O-N 3.13Å; C64-T66 PolarHBondContact O-N 3.29Å; C64-A67 PolarHBondContact O-N 2.92Å; C64-N68 WeakPolarHBondContact O-CB 3.36Å; C64-N68 PolarHBondContact O-N 2.86Å; C64-N68 PolarHBondContact O-ND2 3.32Å; C64-N68 PolarHBondContact O-OD1 2.86Å; C64-V188 HydrophobicContact CB-CG2 4.46Å; C64-V188 PolarHBondContact SG-N 3.45Å
65G98.4Very high98.7Very high2 Ų29.9 Ų9.92%0.0217%0.065CC..Hα-helixtrans-58.8-53.1-175.400000112.1Y46 L61 A67 N68 D69Y46-G65 WeakPolarHBondContact OH-CA 3.44Å; L61-G65 PolarHBondContact O-N 3.13Å; G65-A67 VanDerWaalsContact C-N 3.33Å; G65-A67 PolarHBondContact O-N 2.81Å; G65-N68 WeakPolarHBondContact O-CB 3.4Å; G65-N68 PolarHBondContact O-N 2.66Å; G65-D69 PolarHBondContact O-N 3.33Å
66T98.9Very high98.8Very high0 Ų010.3 Ų10.30%06%0.059CC..Hα-helixtrans-67.5-33.7-178.1-59.20000112Y46 C64 N68 V70 L80 T133Y46-T66 PolarHBondContact OH-N 2.92Å; Y46-T66 PolarHBondContact OH-OG1 3.4Å; C64-T66 PolarHBondContact O-N 3.29Å; T66-N68 VanDerWaalsContact C-N 3.33Å; T66-V70 WeakPolarHBondContact O-CG2 3.29Å; T66-V70 PolarHBondContact O-N 3.16Å; T66-L80 HydrophobicContact CG2-CD2 3.42Å; T66-L80 VanDerWaalsContact CG2-CD2 3.42Å; T66-T133 PolarHBondContact OG1-OG1 2.95Å
67A98.9Very high98.8Very high1 Ų19.9 Ų9.91%0.0085%0.053CC..Hα-helixtrans-66.3-37.6172.500000111.7I63 C64 G65 V70 A71 P77 I111 V188I63-A67 WeakPolarHBondContact O-CB 3.27Å; I63-A67 PolarHBondContact O-N 3.11Å; C64-A67 PolarHBondContact O-N 2.92Å; G65-A67 VanDerWaalsContact C-N 3.33Å; G65-A67 PolarHBondContact O-N 2.81Å; A67-V70 PolarHBondContact O-N 3.38Å; A67-A71 WeakPolarHBondContact O-CB 3.32Å; A67-A71 PolarHBondContact O-N 3Å; A67-P77 HydrophobicContact CB-CB 4.37Å; A67-P77 HydrophobicContact CB-CG 4.22Å; A67-P77 WeakPolarHBondContact O-CG 3.28Å; A67-I111 HydrophobicContact CB-CD1 3.63Å; A67-V188 HydrophobicContact CB-CG1 4.19Å; A67-V188 HydrophobicContact CB-CG2 4.42Å
68N98.8Very high98.8Very high1 Ų112.8 Ų12.81%0.0056%0.063CC..Hα-helixtrans-67.3-46.9179.5-68.2-16.5000111.2C64 G65 T66 V70 A71 V72 A187 L189C64-N68 WeakPolarHBondContact O-CB 3.36Å; C64-N68 PolarHBondContact O-N 2.86Å; C64-N68 PolarHBondContact O-ND2 3.32Å; C64-N68 PolarHBondContact O-OD1 2.86Å; G65-N68 WeakPolarHBondContact O-CB 3.4Å; G65-N68 PolarHBondContact O-N 2.66Å; T66-N68 VanDerWaalsContact C-N 3.33Å; N68-V70 VanDerWaalsContact C-N 3.26Å; N68-V70 PolarHBondContact O-N 3.46Å; N68-A71 PolarHBondContact O-N 3.24Å; N68-V72 WeakPolarHBondContact O-CG1 3.36Å; N68-V72 WeakPolarHBondContact O-CG2 3.47Å; N68-V72 PolarHBondContact O-N 3.44Å; N68-A187 PolarHBondContact ND2-O 2.94Å; N68-A187 PolarHBondContact OD1-O 2.87Å; N68-L189 HydrophobicContact CB-CD1 4.47Å; N68-L189 WeakPolarHBondContact OD1-CB 3.38Å; N68-L189 PolarHBondContact OD1-N 2.89Å
69D98.7Very high98.8Very high40 Ų4013.2 Ų13.221%0.2147%0.065CC..Hα-helixtrans-51.4-44.9173.8-81.5-19.6000112.8S42 G65 V72S42-D69 VanDerWaalsContact CB-CB 3.47Å; S42-D69 WeakPolarHBondContact OG-CB 3.49Å; S42-D69 PolarHBondContact OG-OD2 3.42Å; G65-D69 PolarHBondContact O-N 3.33Å; D69-V72 VanDerWaalsContact O-CG2 3.25Å; D69-V72 WeakPolarHBondContact O-CG2 3.42Å
70V98.9Very high98.8Very high2 Ų213.4 Ų13.41%0.0127%0.066CC..Hα-helixtrans-69.4-45.5176.9173.70000109.9A40 T66 A67 N68 V72 S73 A75 P77 G135A40-V70 HydrophobicContact CB-CG1 4.03Å; T66-V70 WeakPolarHBondContact O-CG2 3.29Å; T66-V70 PolarHBondContact O-N 3.16Å; A67-V70 PolarHBondContact O-N 3.38Å; N68-V70 VanDerWaalsContact C-N 3.26Å; N68-V70 PolarHBondContact O-N 3.46Å; V70-V72 PolarHBondContact O-N 3.18Å; V70-S73 WeakPolarHBondContact O-CB 3.25Å; V70-S73 PolarHBondContact O-N 2.94Å; V70-S73 PolarHBondContact O-OG 3.01Å; V70-A75 HydrophobicContact CG1-CB 4.14Å; V70-P77 HydrophobicContact CB-CB 4.29Å; V70-P77 HydrophobicContact CB-CG 4.03Å; V70-P77 HydrophobicContact CG1-CB 4.01Å; V70-P77 HydrophobicContact CG1-CG 3.9Å; V70-G135 VanDerWaalsContact CG2-O 3.27Å; V70-G135 WeakPolarHBondContact CG2-O 3.19Å
71A98.8Very high98.8Very high0 Ų012.4 Ų12.40%07%0.066CC..Hα-helixtrans-67.6-32.4-173.900000113.4A67 N68 S73 G74 A75 P77 T190 I193A67-A71 WeakPolarHBondContact O-CB 3.32Å; A67-A71 PolarHBondContact O-N 3Å; N68-A71 PolarHBondContact O-N 3.24Å; A71-S73 PolarHBondContact O-N 3.11Å; A71-S73 VanDerWaalsContact O-N 3.12Å; A71-G74 WeakPolarHBondContact O-CA 3.47Å; A71-G74 PolarHBondContact O-N 3.09Å; A71-A75 WeakPolarHBondContact CA-O 3.49Å; A71-P77 HydrophobicContact CB-CG 3.92Å; A71-T190 HydrophobicContact CB-CG2 4.47Å; A71-I193 HydrophobicContact CB-CD1 3.55Å; A71-I193 WeakPolarHBondContact O-CG2 3.23Å
72V98.7Very high98.7Very high16 Ų1612.7 Ų12.710%0.0977%0.068CC..THydrogen-bonded Turntrans-66.2-13.7179.9-65.90000113.6N68 D69 V70 G74 I193 L205 D207 L261N68-V72 WeakPolarHBondContact O-CG1 3.36Å; N68-V72 WeakPolarHBondContact O-CG2 3.47Å; N68-V72 PolarHBondContact O-N 3.44Å; D69-V72 VanDerWaalsContact O-CG2 3.25Å; D69-V72 WeakPolarHBondContact O-CG2 3.42Å; V70-V72 PolarHBondContact O-N 3.18Å; V72-G74 PolarHBondContact O-N 2.96Å; V72-I193 HydrophobicContact CG1-CD1 3.93Å; V72-L205 HydrophobicContact CB-CB 4.44Å; V72-L205 HydrophobicContact CB-CD2 4.43Å; V72-L205 HydrophobicContact CG1-CD2 4.42Å; V72-D207 HydrophobicContact CG1-CB 4.47Å; V72-L261 HydrophobicContact CG1-CD2 3.6Å
73S98.7Very high98.7Very high27 Ų2713.6 Ų13.619%0.1898%0.077CC..THydrogen-bonded Turntrans-74.4-11.2168.7730000114.1A40 V70 A71 A75 I139A40-S73 WeakPolarHBondContact CB-OG 3.27Å; V70-S73 WeakPolarHBondContact O-CB 3.25Å; V70-S73 PolarHBondContact O-N 2.94Å; V70-S73 PolarHBondContact O-OG 3.01Å; A71-S73 PolarHBondContact O-N 3.11Å; A71-S73 VanDerWaalsContact O-N 3.12Å; S73-A75 WeakPolarHBondContact OG-CB 3.33Å; S73-A75 PolarHBondContact OG-N 2.85Å; S73-I139 WeakPolarHBondContact O-CG2 3.42Å; S73-I139 WeakPolarHBondContact OG-CG1 3.49Å
74G98.5Very high98.7Very high0 Ų013.8 Ų13.80%08%0.078CC..THydrogen-bonded Turntrans92.6-7.7-169.500000114A71 V72A71-G74 WeakPolarHBondContact O-CA 3.47Å; A71-G74 PolarHBondContact O-N 3.09Å; V72-G74 PolarHBondContact O-N 2.96Å
75A98.7Very high98.7Very high0 Ų017.5 Ų17.50%010%0.097CC..PPolyproline II helixtrans-67154.417300000112.4A40 V70 A71 S73 A138 I139A40-A75 HydrophobicContact CB-CB 3.99Å; V70-A75 HydrophobicContact CG1-CB 4.14Å; A71-A75 WeakPolarHBondContact CA-O 3.49Å; S73-A75 WeakPolarHBondContact OG-CB 3.33Å; S73-A75 PolarHBondContact OG-N 2.85Å; A75-A138 VanDerWaalsContact CA-O 3.27Å; A75-A138 WeakPolarHBondContact CA-O 3.21Å; A75-A138 VanDerWaalsContact CB-O 3.25Å; A75-A138 WeakPolarHBondContact CB-O 3.48Å; A75-I139 HydrophobicContact CB-CG1 4.09Å
76I98.9Very high98.7Very high42 Ų4217.6 Ų17.622%0.21510%0.097CC..PPolyproline II helixtrans-92.4117.2163.9-62.3173.2000106.7R78 G137 T190I76-R78 PolarHBondContact O-N 2.8Å; I76-G137 WeakPolarHBondContact O-CA 3.32Å; I76-T190 HydrophobicContact CG2-CG2 4.5Å
77P98.9Very high98.7Very high4 Ų419.5 Ų19.53%0.02611%0.106CC..PPolyproline II helixtrans-60.6128.8174.3-18.730.8000109.7A67 V70 A71 I111A67-P77 HydrophobicContact CB-CB 4.37Å; A67-P77 HydrophobicContact CB-CG 4.22Å; A67-P77 WeakPolarHBondContact O-CG 3.28Å; V70-P77 HydrophobicContact CB-CB 4.29Å; V70-P77 HydrophobicContact CB-CG 4.03Å; V70-P77 HydrophobicContact CG1-CB 4.01Å; V70-P77 HydrophobicContact CG1-CG 3.9Å; A71-P77 HydrophobicContact CB-CG 3.92Å; P77-I111 HydrophobicContact CB-CD1 3.86Å; P77-I111 HydrophobicContact CB-CG1 4.17Å
78R98.7Very high98.6Very high77 Ų7723.4 Ų23.429%0.29112%0.124SC..  trans-114.8-42-179.4-65.3-58.4-169.3-170.42.5112.2E35 I76 A112 M136E35-R78 IonicContact OE1-CZ 3.34Å; E35-R78 IonicContact OE1-NE 3.74Å; E35-R78 PolarHBondContact OE1-NE 2.82Å; E35-R78 IonicContact OE1-NH2 3.19Å; E35-R78 PolarHBondContact OE1-NH2 2.98Å; E35-R78 IonicContact OE2-NE 3.19Å; E35-R78 PolarHBondContact OE2-NE 2.86Å; E35-R78 IonicContact OE2-NH2 2.71Å; I76-R78 PolarHBondContact O-N 2.8Å; R78-A112 PolarHBondContact O-N 3.02Å; R78-M136 PolarHBondContact N-O 3.44Å
79Y98.8Very high98.5Very high10 Ų1025.4 Ų25.44%0.03915%0.145CC..EExtended strand (participates in β ladder)trans-130.4134.8-168.5-50.8-63.7000110.9W17 L27 L32 A112 V114 G135 M136W17-Y79 HydrophobicContact CD2-CE1 4.3Å; W17-Y79 AromaticContact CE2-CE1 3.88Å; W17-Y79 HydrophobicContact CH2-CE1 4.07Å; W17-Y79 AromaticContact CZ2-CE1 3.77Å; W17-Y79 HydrophobicContact CZ2-CE1 3.77Å; W17-Y79 HydrophobicContact CZ3-CE1 4.45Å; L27-Y79 HydrophobicContact CB-CE2 4.45Å; L27-Y79 HydrophobicContact CD1-CD2 3.66Å; L27-Y79 HydrophobicContact CD1-CE2 4.15Å; L27-Y79 HydrophobicContact CD1-CG 3.9Å; L27-Y79 HydrophobicContact CD2-CD1 3.95Å; L27-Y79 HydrophobicContact CD2-CD2 4.31Å; L27-Y79 HydrophobicContact CD2-CE1 4.02Å; L27-Y79 HydrophobicContact CD2-CE2 4.36Å; L27-Y79 HydrophobicContact CD2-CG 4.08Å; L27-Y79 HydrophobicContact CG-CD2 4.45Å; L32-Y79 HydrophobicContact CD1-CE2 4.3Å; L32-Y79 HydrophobicContact CD2-CE2 4.03Å; L32-Y79 HydrophobicContact CG-CE2 4.33Å; Y79-A112 CarbonylContact C-O 3.57Å; Y79-A112 WeakPolarHBondContact CA-O 3.35Å; Y79-A112 HydrophobicContact CD1-CB 4.3Å; Y79-V114 HydrophobicContact CD1-CG1 3.57Å; Y79-V114 HydrophobicContact CE1-CG1 4.37Å; Y79-V114 HydrophobicContact CG-CG1 4.28Å; Y79-G135 VanDerWaalsContact O-CA 3.31Å; Y79-G135 WeakPolarHBondContact O-CA 3.31Å; Y79-M136 HydrophobicContact CD2-CG 4.11Å; Y79-M136 HydrophobicContact CD2-SD 4.37Å; Y79-M136 PolarHBondContact N-O 3.05Å; Y79-M136 PolarHBondContact O-N 3.36Å
80L98.9Very high98.4Very high4 Ų424.7 Ų24.72%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-121.5146.4170.9-76.8175.4000110.8I63 T66 I111 A112 I113 V114 A134 G135I63-L80 HydrophobicContact CD1-CD1 3.7Å; I63-L80 HydrophobicContact CG2-CD1 4.11Å; T66-L80 HydrophobicContact CG2-CD2 3.42Å; T66-L80 VanDerWaalsContact CG2-CD2 3.42Å; L80-I111 HydrophobicContact CB-CG2 4.15Å; L80-I111 HydrophobicContact CD1-CG2 3.68Å; L80-I111 HydrophobicContact CG-CG2 3.62Å; L80-A112 PolarHBondContact N-O 3.47Å; L80-I113 HydrophobicContact CB-CG1 4.28Å; L80-I113 CarbonylContact O-C 3.56Å; L80-I113 VanDerWaalsContact O-CA 3.31Å; L80-I113 WeakPolarHBondContact O-CA 3.33Å; L80-V114 PolarHBondContact O-N 2.99Å; L80-A134 CarbonylContact C-O 3.57Å; L80-A134 VanDerWaalsContact CA-O 3.23Å; L80-A134 WeakPolarHBondContact CA-O 3.48Å; L80-A134 WeakPolarHBondContact CD2-O 3.25Å; L80-G135 VanDerWaalsContact CD2-CA 3.49Å
81S98.6Very high98.4Very high34 Ų3427.8 Ų27.824%0.23816%0.161CC..EExtended strand (participates in β ladder)trans-102155.2156.864.20000110.2T115 T133 A134S81-T115 VanDerWaalsContact CA-O 3.31Å; S81-T115 WeakPolarHBondContact CA-O 3.47Å; S81-T133 VanDerWaalsContact O-CA 3.24Å; S81-T133 WeakPolarHBondContact O-CA 3.43Å; S81-T133 WeakPolarHBondContact O-CB 3.45Å; S81-T133 WeakPolarHBondContact O-CG2 3.4Å; S81-A134 PolarHBondContact N-O 3.22Å; S81-A134 PolarHBondContact O-N 2.85Å; S81-A134 WeakPolarHBondContact OG-CB 3.38Å; S81-A134 PolarHBondContact OG-N 2.98Å
82C98.6Very high98.2Very high6 Ų631.1 Ų31.14%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-139.8117.3178.8-170.30000113.3F84 M102 I113 T115 G116 D117 N132 T133C82-F84 HydrophobicContact CB-CE2 4.25Å; C82-F84 WeakPolarHBondContact SG-CE2 3.48Å; C82-F84 WeakPolarHBondContact SG-CZ 3.39Å; C82-M102 WeakPolarHBondContact SG-CE 3.48Å; C82-I113 HydrophobicContact CB-CG2 3.98Å; C82-T115 PolarHBondContact N-O 3.35Å; C82-G116 CarbonylContact O-C 3.43Å; C82-G116 WeakPolarHBondContact O-CA 3.17Å; C82-D117 PolarHBondContact O-N 2.84Å; C82-N132 WeakPolarHBondContact CA-O 3.31Å; C82-T133 HydrophobicContact CB-CG2 4.14Å
83G98.3Very high98.2Very high19 Ų1937.3 Ų37.320%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-108.6126175.100000111.8D117 I131 N132G83-D117 WeakPolarHBondContact CA-O 3.47Å; G83-I131 WeakPolarHBondContact O-CA 3.27Å; G83-N132 PolarHBondContact N-O 3.21Å; G83-N132 PolarHBondContact O-N 3.06Å
84F98.6Very high98.2Very high5 Ų537.8 Ų37.82%0.02221%0.207CC..EExtended strand (participates in β ladder)trans-105.2136.9177.7-69.4-94.7000112.2F9 F13 C82 L86 V99 M102 D117 K119 L129 I131F9-F84 HydrophobicContact CD1-CD2 4.43Å; F9-F84 AromaticContact CD1-CE2 3.87Å; F9-F84 HydrophobicContact CD1-CE2 3.87Å; F9-F84 HydrophobicContact CD1-CZ 4.32Å; F9-F84 HydrophobicContact CE1-CD1 4.33Å; F9-F84 AromaticContact CE1-CD2 3.52Å; F9-F84 HydrophobicContact CE1-CD2 3.52Å; F9-F84 AromaticContact CE1-CE1 3.99Å; F9-F84 HydrophobicContact CE1-CE1 3.99Å; F9-F84 AromaticContact CE1-CE2 3.09Å; F9-F84 HydrophobicContact CE1-CE2 3.09Å; F9-F84 HydrophobicContact CE1-CG 4.12Å; F9-F84 AromaticContact CE1-CZ 3.36Å; F9-F84 HydrophobicContact CE1-CZ 3.36Å; F9-F84 HydrophobicContact CE2-CD2 4.06Å; F9-F84 HydrophobicContact CE2-CE2 4.42Å; F9-F84 HydrophobicContact CE2-CG 4.49Å; F9-F84 HydrophobicContact CZ-CB 4.3Å; F9-F84 HydrophobicContact CZ-CD1 4.05Å; F9-F84 AromaticContact CZ-CD2 3.3Å; F9-F84 HydrophobicContact CZ-CD2 3.3Å; F9-F84 HydrophobicContact CZ-CE1 4.18Å; F9-F84 AromaticContact CZ-CE2 3.45Å; F9-F84 HydrophobicContact CZ-CE2 3.45Å; F9-F84 VanDerWaalsContact CZ-CE2 3.45Å; F9-F84 AromaticContact CZ-CG 3.62Å; F9-F84 HydrophobicContact CZ-CG 3.62Å; F9-F84 AromaticContact CZ-CZ 3.89Å; F9-F84 HydrophobicContact CZ-CZ 3.89Å; F13-F84 HydrophobicContact CE2-CE2 4.39Å; C82-F84 HydrophobicContact CB-CE2 4.25Å; C82-F84 WeakPolarHBondContact SG-CE2 3.48Å; C82-F84 WeakPolarHBondContact SG-CZ 3.39Å; F84-L86 HydrophobicContact CB-CD1 3.75Å; F84-L86 HydrophobicContact CB-CG 4.34Å; F84-V99 HydrophobicContact CZ-CG2 4.39Å; F84-M102 HydrophobicContact CE1-SD 3.97Å; F84-M102 HydrophobicContact CZ-CE 4.22Å; F84-M102 HydrophobicContact CZ-SD 3.51Å; F84-M102 VanDerWaalsContact CZ-SD 3.51Å; F84-D117 PolarHBondContact N-O 3.3Å; F84-K119 PolarHBondContact O-N 3.06Å; F84-L129 HydrophobicContact CD1-CD1 4.44Å; F84-I131 HydrophobicContact CD1-CD1 4.34Å; F84-I131 HydrophobicContact CD1-CG1 3.99Å; F84-I131 HydrophobicContact CE1-CD1 3.74Å; F84-I131 HydrophobicContact CE1-CG1 3.89Å; F84-I131 HydrophobicContact CE1-CG2 4.37Å; F84-I131 HydrophobicContact CZ-CD1 4.49Å
85I98.5Very high98.2Very high77 Ų7737.9 Ų37.940%0.39521%0.208SC..EExtended strand (participates in β ladder)trans-116.9109.4166-55.3171.9000107.5K119 V121 V126 L129 F130I85-K119 WeakPolarHBondContact CA-O 3.45Å; I85-V121 HydrophobicContact CG2-CG1 4.41Å; I85-V121 HydrophobicContact CG2-CG2 4.44Å; I85-V126 HydrophobicContact CG2-CB 4.34Å; I85-V126 HydrophobicContact CG2-CG1 4.41Å; I85-V126 HydrophobicContact CG2-CG2 4.03Å; I85-L129 WeakPolarHBondContact O-CA 3.28Å; I85-F130 HydrophobicContact CB-CB 4.38Å; I85-F130 PolarHBondContact N-O 3.27Å; I85-F130 PolarHBondContact O-N 3.43Å
86L98.3Very high98.1Very high4 Ų444 Ų442%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-108.8142-175-60.6115.4000111.5F84 L90 L95 T118 K119 V120 V121 L129F84-L86 HydrophobicContact CB-CD1 3.75Å; F84-L86 HydrophobicContact CB-CG 4.34Å; L86-L90 HydrophobicContact CD2-CD2 3.73Å; L86-L95 HydrophobicContact CD2-CD1 3.65Å; L86-L95 HydrophobicContact CD2-CD2 3.75Å; L86-L95 HydrophobicContact CD2-CG 4.24Å; L86-T118 HydrophobicContact CD1-CG2 3.36Å; L86-K119 PolarHBondContact N-O 3.15Å; L86-V120 HydrophobicContact CB-CG2 4.41Å; L86-V120 HydrophobicContact CD1-CG2 4.43Å; L86-V120 WeakPolarHBondContact O-CA 3.19Å; L86-V121 PolarHBondContact O-N 3.16Å; L86-L129 HydrophobicContact CD2-CD1 4.04Å
87E98.3Very high98.1Very high41 Ų4144 Ų4419%0.19224%0.241CC..EExtended strand (participates in β ladder)trans-77.4133167.1-164.8179.2-168.700110.3G89 L90 R123 G124 V126 K128E87-G89 PolarHBondContact O-N 3.19Å; E87-L90 WeakPolarHBondContact O-CB 3.28Å; E87-L90 PolarHBondContact O-N 3.06Å; E87-L90 VanDerWaalsContact O-N 3.1Å; E87-R123 WeakPolarHBondContact OE1-CA 3.25Å; E87-G124 PolarHBondContact OE1-N 2.99Å; E87-V126 HydrophobicContact CB-CG1 3.57Å; E87-V126 HydrophobicContact CG-CG1 4.27Å; E87-V126 WeakPolarHBondContact CG-O 3.05Å; E87-V126 VanDerWaalsContact N-CG1 3.28Å; E87-K128 WeakPolarHBondContact CB-O 3.34Å; E87-K128 PolarHBondContact N-O 3.22Å; E87-K128 WeakPolarHBondContact OE2-CA 3.4Å; E87-K128 PolarHBondContact OE2-N 3.34Å
88E97Very high98.1Very high82 Ų8243.8 Ų43.838%0.38324%0.239SC..THydrogen-bonded Turntrans-57.7122.7173.2-169.7-152.9151.200110.5V120 V121 R123E88-V120 HydrophobicContact CB-CG1 4.12Å; E88-V121 WeakPolarHBondContact CB-O 3.38Å; E88-V121 PolarHBondContact N-O 2.78Å; E88-R123 HydrophobicContact CB-CG 4.48Å; E88-R123 WeakPolarHBondContact O-CG 3.49Å; E88-R123 PolarHBondContact O-NE 2.71Å; E88-R123 IonicContact OE1-CZ 3.71Å; E88-R123 IonicContact OE1-NH1 2.91Å; E88-R123 PolarHBondContact OE1-NH1 2.95Å; E88-R123 IonicContact OE1-NH2 3.8Å; E88-R123 IonicContact OE2-NH1 3.25Å; E88-R123 PolarHBondContact OE2-NH1 2.98Å
89G96.5Very high98.1Very high44 Ų4440.1 Ų40.145%0.45423%0.226SC..THydrogen-bonded Turntrans95.24.4-178.700000114.8E87E87-G89 PolarHBondContact O-N 3.19Å
90L97.9Very high98.1Very high25 Ų2543 Ų4313%0.13124%0.244CC..  trans-52.1129.8164.1-177.573.1000110L86 E87 M92 T94 L95 K128 L129L86-L90 HydrophobicContact CD2-CD2 3.73Å; E87-L90 WeakPolarHBondContact O-CB 3.28Å; E87-L90 PolarHBondContact O-N 3.06Å; E87-L90 VanDerWaalsContact O-N 3.1Å; L90-M92 PolarHBondContact O-N 2.59Å; L90-T94 HydrophobicContact CD1-CG2 3.97Å; L90-T94 HydrophobicContact CG-CG2 4.47Å; L90-L95 HydrophobicContact CD2-CB 4.18Å; L90-K128 HydrophobicContact CD1-CB 3.9Å; L90-L129 HydrophobicContact CD2-CB 4.11Å; L90-L129 HydrophobicContact CD2-CD1 3.73Å; L90-L129 HydrophobicContact CD2-CG 4.5Å
91P97.5Very high98.1Very high66 Ų6643.6 Ų43.643%0.42925%0.249SC..  trans-57.7133.3176.5-26.135.6000112E93 T94 L95P91-E93 PolarHBondContact O-N 2.91Å; P91-T94 WeakPolarHBondContact O-CB 3.38Å; P91-T94 PolarHBondContact O-N 3.02Å; P91-T94 VanDerWaalsContact O-N 3.11Å; P91-L95 PolarHBondContact O-N 3.14Å; P91-L95 VanDerWaalsContact O-N 3.14Å
92M96.3Very high98.1Very high71 Ų7142 Ų4235%0.3524%0.238SC..Hα-helixtrans-64.4-29.4179.1-81-59.9-52.600111.9I5 L8 L90 T94 L95 K96I5-M92 HydrophobicContact CG1-SD 4.39Å; L8-M92 HydrophobicContact CD2-CE 4.11Å; L90-M92 PolarHBondContact O-N 2.59Å; M92-T94 VanDerWaalsContact C-N 3.33Å; M92-L95 HydrophobicContact CE-CD2 4.28Å; M92-L95 PolarHBondContact O-N 3.18Å; M92-L95 HydrophobicContact SD-CD2 4.21Å; M92-K96 VanDerWaalsContact O-CB 3.22Å; M92-K96 WeakPolarHBondContact O-CB 3.45Å; M92-K96 PolarHBondContact O-N 3Å
93E97.6Very high98.1Very high146 Ų14642 Ų4268%0.68224%0.238SC*.Hα-helixtrans-61.5-43.2174-63.773.9-162.800110.9P91 K96 A97P91-E93 PolarHBondContact O-N 2.91Å; E93-K96 PolarHBondContact O-N 2.96Å; E93-A97 WeakPolarHBondContact O-CB 3.08Å; E93-A97 PolarHBondContact O-N 2.94Å
94T98.4Very high98.1Very high37 Ų3746.6 Ų46.623%0.22725%0.254CS..Hα-helixtrans-62.5-50.3175.3-64.90000111L51 F52 L90 P91 M92 K96 A97 V98L51-T94 HydrophobicContact CD1-CG2 4.11Å; F52-T94 HydrophobicContact CE2-CG2 4.01Å; L90-T94 HydrophobicContact CD1-CG2 3.97Å; L90-T94 HydrophobicContact CG-CG2 4.47Å; P91-T94 WeakPolarHBondContact O-CB 3.38Å; P91-T94 PolarHBondContact O-N 3.02Å; P91-T94 VanDerWaalsContact O-N 3.11Å; M92-T94 VanDerWaalsContact C-N 3.33Å; T94-K96 VanDerWaalsContact C-N 3.35Å; T94-K96 PolarHBondContact O-N 3.31Å; T94-A97 PolarHBondContact O-N 3.47Å; T94-V98 WeakPolarHBondContact O-CG2 3.31Å; T94-V98 PolarHBondContact O-N 3.34Å; T94-V98 VanDerWaalsContact O-N 3.09Å
95L98.2Very high98.2Very high2 Ų247.3 Ų47.31%0.0126%0.259CS..Hα-helixtrans-60.5-45178.3-179.458.4000111.5I5 L8 F9 L86 L90 P91 M92 A97 V98 V99 L129I5-L95 HydrophobicContact CG1-CD2 4.18Å; I5-L95 HydrophobicContact CG2-CD2 4.24Å; L8-L95 HydrophobicContact CD2-CD2 4.07Å; L8-L95 HydrophobicContact CD2-CG 3.86Å; F9-L95 HydrophobicContact CZ-CD1 4.49Å; L86-L95 HydrophobicContact CD2-CD1 3.65Å; L86-L95 HydrophobicContact CD2-CD2 3.75Å; L86-L95 HydrophobicContact CD2-CG 4.24Å; L90-L95 HydrophobicContact CD2-CB 4.18Å; P91-L95 PolarHBondContact O-N 3.14Å; P91-L95 VanDerWaalsContact O-N 3.14Å; M92-L95 HydrophobicContact CE-CD2 4.28Å; M92-L95 PolarHBondContact O-N 3.18Å; M92-L95 HydrophobicContact SD-CD2 4.21Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.36Å; L95-V98 PolarHBondContact O-N 2.99Å; L95-V99 HydrophobicContact CD1-CG2 3.87Å; L95-V99 HydrophobicContact CG-CG2 4.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.19Å; L95-V99 PolarHBondContact O-N 3.22Å; L95-L129 HydrophobicContact CD1-CD1 3.69Å
96K98.2Very high98.2Very high127 Ų12743.8 Ų43.855%0.55224%0.242SC*.Hα-helixtrans-60.8-40.5179.1-174.2171.3-176.6175.50111.9L8 M92 E93 T94 T100L8-K96 HydrophobicContact CD1-CB 4.47Å; L8-K96 HydrophobicContact CD1-CG 4.1Å; L8-K96 HydrophobicContact CD2-CB 4.45Å; M92-K96 VanDerWaalsContact O-CB 3.22Å; M92-K96 WeakPolarHBondContact O-CB 3.45Å; M92-K96 PolarHBondContact O-N 3Å; E93-K96 PolarHBondContact O-N 2.96Å; T94-K96 VanDerWaalsContact C-N 3.35Å; T94-K96 PolarHBondContact O-N 3.31Å; K96-T100 VanDerWaalsContact O-CB 3.27Å; K96-T100 WeakPolarHBondContact O-CB 3.4Å; K96-T100 PolarHBondContact O-N 2.83Å; K96-T100 PolarHBondContact O-OG1 3Å
97A98.7Very high98.2Very high43 Ų4351.6 Ų51.636%0.35527%0.271SS..Hα-helixtrans-62.8-45.717500000112.1F52 E93 T94 L95 S101F52-A97 HydrophobicContact CE1-CB 3.98Å; F52-A97 HydrophobicContact CZ-CB 3.79Å; E93-A97 WeakPolarHBondContact O-CB 3.08Å; E93-A97 PolarHBondContact O-N 2.94Å; T94-A97 PolarHBondContact O-N 3.47Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.36Å; A97-S101 PolarHBondContact O-N 3.42Å
98V98.7Very high98.2Very high0 Ų055.3 Ų55.30%030%0.296CS..Hα-helixtrans-59.9-52.5176.31710000111F52 I58 T94 L95 T100 S101 M102 L129 I131F52-V98 HydrophobicContact CE2-CG2 4.23Å; F52-V98 HydrophobicContact CZ-CG2 3.77Å; I58-V98 HydrophobicContact CG2-CG1 3.9Å; I58-V98 HydrophobicContact CG2-CG2 3.79Å; T94-V98 WeakPolarHBondContact O-CG2 3.31Å; T94-V98 PolarHBondContact O-N 3.34Å; T94-V98 VanDerWaalsContact O-N 3.09Å; L95-V98 PolarHBondContact O-N 2.99Å; V98-T100 VanDerWaalsContact C-N 3.34Å; V98-T100 PolarHBondContact O-N 2.86Å; V98-S101 WeakPolarHBondContact O-CB 3.16Å; V98-S101 PolarHBondContact O-N 3.46Å; V98-S101 VanDerWaalsContact O-N 3.15Å; V98-M102 HydrophobicContact CG1-SD 4.35Å; V98-M102 WeakPolarHBondContact O-CG 3.38Å; V98-M102 PolarHBondContact O-N 3.18Å; V98-L129 HydrophobicContact CG1-CD2 4.49Å; V98-I131 HydrophobicContact CG1-CD1 3.95Å
99V98.6Very high98.3Very high0 Ų053.1 Ų53.10%029%0.293CS..Hα-helixtrans-63-40.3-177.4173.20000112L8 F9 A12 F13 F84 L95 S101 M102 A103L8-V99 HydrophobicContact CD1-CG1 4.47Å; L8-V99 HydrophobicContact CD2-CB 4.32Å; L8-V99 HydrophobicContact CD2-CG2 4.13Å; L8-V99 HydrophobicContact CG-CB 4.39Å; L8-V99 HydrophobicContact CG-CG1 4.14Å; F9-V99 HydrophobicContact CD1-CG1 4.14Å; F9-V99 HydrophobicContact CD1-CG2 3.94Å; F9-V99 HydrophobicContact CE1-CG1 4.42Å; F9-V99 HydrophobicContact CE1-CG2 3.39Å; F9-V99 HydrophobicContact CZ-CG2 4.29Å; A12-V99 HydrophobicContact CB-CG1 3.42Å; A12-V99 VanDerWaalsContact CB-CG1 3.42Å; F13-V99 HydrophobicContact CE1-CG1 3.97Å; F13-V99 HydrophobicContact CE2-CG1 4.35Å; F13-V99 HydrophobicContact CZ-CG1 3.77Å; F84-V99 HydrophobicContact CZ-CG2 4.39Å; L95-V99 HydrophobicContact CD1-CG2 3.87Å; L95-V99 HydrophobicContact CG-CG2 4.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.19Å; L95-V99 PolarHBondContact O-N 3.22Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 3.38Å; V99-M102 WeakPolarHBondContact O-CB 3.4Å; V99-M102 PolarHBondContact O-N 2.88Å; V99-A103 WeakPolarHBondContact O-CB 3.27Å; V99-A103 PolarHBondContact O-N 3.06Å
100T98.6Very high98.4Very high69 Ų6953.4 Ų53.442%0.42330%0.296SS..Hα-helixtrans-61.7-44175.6-570000110.8K96 V98 M102 A103 E104K96-T100 VanDerWaalsContact O-CB 3.27Å; K96-T100 WeakPolarHBondContact O-CB 3.4Å; K96-T100 PolarHBondContact O-N 2.83Å; K96-T100 PolarHBondContact O-OG1 3Å; V98-T100 VanDerWaalsContact C-N 3.34Å; V98-T100 PolarHBondContact O-N 2.86Å; T100-M102 VanDerWaalsContact C-N 3.33Å; T100-M102 PolarHBondContact O-N 2.99Å; T100-A103 PolarHBondContact O-N 2.9Å; T100-E104 WeakPolarHBondContact O-CB 3.42Å; T100-E104 PolarHBondContact O-N 2.97Å
101S98.8Very high98.4Very high18 Ų1852.8 Ų52.813%0.12629%0.292CS..Hα-helixtrans-63.3-38.6177.5-168.10000112.4N57 A97 V98 V99 T105N57-S101 VanDerWaalsContact ND2-CB 3.34Å; N57-S101 WeakPolarHBondContact ND2-CB 3.43Å; N57-S101 PolarHBondContact ND2-OG 2.86Å; N57-S101 WeakPolarHBondContact OD1-CB 3.39Å; N57-S101 PolarHBondContact OD1-OG 3.39Å; A97-S101 PolarHBondContact O-N 3.42Å; V98-S101 WeakPolarHBondContact O-CB 3.16Å; V98-S101 PolarHBondContact O-N 3.46Å; V98-S101 VanDerWaalsContact O-N 3.15Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 3.38Å; S101-T105 WeakPolarHBondContact O-CB 3.33Å; S101-T105 PolarHBondContact O-N 3.34Å; S101-T105 PolarHBondContact O-OG1 3.25Å
102M98.9Very high98.5Very high0 Ų050.3 Ų50.30%028%0.277CS..Hα-helixtrans-61.9-49.7174-68.8-17578.100111.2F13 G59 A62 I63 C82 F84 V98 V99 T100 E104 T105 A106 I131 T133F13-M102 HydrophobicContact CE1-CB 3.76Å; F13-M102 HydrophobicContact CZ-CB 3.86Å; F13-M102 HydrophobicContact CZ-SD 4.29Å; G59-M102 VanDerWaalsContact C-CG 3.45Å; G59-M102 VanDerWaalsContact O-CG 3.29Å; G59-M102 WeakPolarHBondContact O-CG 3.33Å; A62-M102 HydrophobicContact CB-CE 3.96Å; I63-M102 HydrophobicContact CD1-CB 4.24Å; I63-M102 HydrophobicContact CD1-CE 3.69Å; I63-M102 HydrophobicContact CG1-CB 4.08Å; I63-M102 HydrophobicContact CG1-CE 4.28Å; I63-M102 HydrophobicContact CG1-CG 4.27Å; C82-M102 WeakPolarHBondContact SG-CE 3.48Å; F84-M102 HydrophobicContact CE1-SD 3.97Å; F84-M102 HydrophobicContact CZ-CE 4.22Å; F84-M102 HydrophobicContact CZ-SD 3.51Å; F84-M102 VanDerWaalsContact CZ-SD 3.51Å; V98-M102 HydrophobicContact CG1-SD 4.35Å; V98-M102 WeakPolarHBondContact O-CG 3.38Å; V98-M102 PolarHBondContact O-N 3.18Å; V99-M102 WeakPolarHBondContact O-CB 3.4Å; V99-M102 PolarHBondContact O-N 2.88Å; T100-M102 VanDerWaalsContact C-N 3.33Å; T100-M102 PolarHBondContact O-N 2.99Å; M102-E104 VanDerWaalsContact C-N 3.34Å; M102-E104 PolarHBondContact O-N 3.44Å; M102-T105 PolarHBondContact O-N 3.44Å; M102-A106 WeakPolarHBondContact O-CB 3.18Å; M102-A106 PolarHBondContact O-N 3.44Å; M102-I131 HydrophobicContact CE-CD1 4.43Å; M102-I131 HydrophobicContact CE-CG2 4.17Å; M102-I131 HydrophobicContact SD-CD1 3.85Å; M102-T133 HydrophobicContact CE-CG2 4.28Å
103A98.6Very high98.6Very high7 Ų747.3 Ų47.36%0.05826%0.263CS..Hα-helixtrans-60.9-44.1-177.900000111.6A12 F13 V99 T100 R107A12-A103 HydrophobicContact CB-CB 4.27Å; A12-A103 VanDerWaalsContact O-CB 3.28Å; A12-A103 WeakPolarHBondContact O-CB 3.25Å; F13-A103 HydrophobicContact CD1-CB 3.77Å; F13-A103 HydrophobicContact CE1-CB 3.81Å; V99-A103 WeakPolarHBondContact O-CB 3.27Å; V99-A103 PolarHBondContact O-N 3.06Å; T100-A103 PolarHBondContact O-N 2.9Å; A103-R107 WeakPolarHBondContact O-CB 3.49Å; A103-R107 PolarHBondContact O-N 3.48Å
104E98.8Very high98.6Very high114 Ų11440.8 Ų40.853%0.53323%0.233SC..Hα-helixtrans-65.4-43.5177.9-174.2172.1-171.800112.3T100 M102 T108T100-E104 WeakPolarHBondContact O-CB 3.42Å; T100-E104 PolarHBondContact O-N 2.97Å; M102-E104 VanDerWaalsContact C-N 3.34Å; M102-E104 PolarHBondContact O-N 3.44Å; E104-T108 VanDerWaalsContact O-CB 3.32Å; E104-T108 WeakPolarHBondContact O-CB 3.38Å; E104-T108 PolarHBondContact O-N 3.03Å; E104-T108 PolarHBondContact O-OG1 2.94Å
105T98.9Very high98.5Very high21 Ų2141.2 Ų41.213%0.12924%0.236CC..Hα-helixtrans-65.6-47.2179.3-52.30000111K60 I63 S101 M102 T108 A109 V188K60-T105 HydrophobicContact CG-CG2 4.25Å; I63-T105 HydrophobicContact CB-CG2 3.88Å; I63-T105 HydrophobicContact CG2-CG2 3.75Å; S101-T105 WeakPolarHBondContact O-CB 3.33Å; S101-T105 PolarHBondContact O-N 3.34Å; S101-T105 PolarHBondContact O-OG1 3.25Å; M102-T105 PolarHBondContact O-N 3.44Å; T105-T108 PolarHBondContact O-N 3.43Å; T105-A109 WeakPolarHBondContact O-CB 3.33Å; T105-A109 PolarHBondContact O-N 2.71Å; T105-V188 HydrophobicContact CG2-CG2 4.04Å
106A98.8Very high98.4Very high3 Ų343.4 Ų43.43%0.02526%0.258CS..Hα-helixtrans-62.1-45.617800000111.5I63 M102 T108 A109 G110 I111 I113I63-A106 HydrophobicContact CD1-CB 4.33Å; I63-A106 HydrophobicContact CG2-CB 4.21Å; M102-A106 WeakPolarHBondContact O-CB 3.18Å; M102-A106 PolarHBondContact O-N 3.44Å; A106-T108 PolarHBondContact O-N 2.95Å; A106-A109 CarbonylContact O-C 3.56Å; A106-A109 PolarHBondContact O-N 2.97Å; A106-G110 PolarHBondContact O-N 3.31Å; A106-I111 CarbonylContact C-O 3.46Å; A106-I111 HydrophobicContact CB-CB 4.46Å; A106-I111 PolarHBondContact O-N 3.4Å; A106-I113 HydrophobicContact CB-CD1 4.06Å; A106-I113 HydrophobicContact CB-CG1 4.22Å
107R98.6Very high98.3Very high168 Ų16841.2 Ų41.263%0.63425%0.252SS*.Hα-helixtrans-60.3-44.8176.6-170.9-173.2-54.8114.64.5112A103 A109 G110A103-R107 WeakPolarHBondContact O-CB 3.49Å; A103-R107 PolarHBondContact O-N 3.48Å; R107-A109 VanDerWaalsContact C-N 3.28Å; R107-A109 PolarHBondContact O-N 2.82Å; R107-G110 PolarHBondContact O-N 2.8Å; R107-G110 VanDerWaalsContact O-N 3.11Å
108T98.6Very high98.2Very high118 Ų11839.8 Ų39.872%0.72424%0.24SC*.Hα-helixtrans-63.2-36.9178.6-58.60000111.5E104 T105 A106 G110E104-T108 VanDerWaalsContact O-CB 3.32Å; E104-T108 WeakPolarHBondContact O-CB 3.38Å; E104-T108 PolarHBondContact O-N 3.03Å; E104-T108 PolarHBondContact O-OG1 2.94Å; T105-T108 PolarHBondContact O-N 3.43Å; A106-T108 PolarHBondContact O-N 2.95Å; T108-G110 VanDerWaalsContact C-N 3.29Å; T108-G110 PolarHBondContact O-N 2.93Å
109A98.6Very high98.2Very high37 Ų3745 Ų4531%0.30626%0.262SS..Hα-helixtrans-79.5-6.2176.400000114.1T105 A106 R107 I111 V188T105-A109 WeakPolarHBondContact O-CB 3.33Å; T105-A109 PolarHBondContact O-N 2.71Å; A106-A109 CarbonylContact O-C 3.56Å; A106-A109 PolarHBondContact O-N 2.97Å; R107-A109 VanDerWaalsContact C-N 3.28Å; R107-A109 PolarHBondContact O-N 2.82Å; A109-I111 VanDerWaalsContact C-N 3.29Å; A109-I111 HydrophobicContact CB-CD1 3.67Å; A109-I111 HydrophobicContact CB-CG1 3.85Å; A109-V188 HydrophobicContact CB-CB 4.45Å; A109-V188 HydrophobicContact CB-CG1 4.06Å; A109-V188 HydrophobicContact CB-CG2 4.15Å
110G98.5Very high98.1Very high50 Ų5047.8 Ų47.852%0.51528%0.279SS..THydrogen-bonded Turntrans68.128.9-174.200000113.5A106 R107 T108A106-G110 PolarHBondContact O-N 3.31Å; R107-G110 PolarHBondContact O-N 2.8Å; R107-G110 VanDerWaalsContact O-N 3.11Å; T108-G110 VanDerWaalsContact C-N 3.29Å; T108-G110 PolarHBondContact O-N 2.93Å
111I98.8Very high98.1Very high11 Ų1146.5 Ų46.56%0.05627%0.271CS..  trans-103.3132.9-179.6-61.3171.9000109.1A67 P77 L80 A106 A109A67-I111 HydrophobicContact CB-CD1 3.63Å; P77-I111 HydrophobicContact CB-CD1 3.86Å; P77-I111 HydrophobicContact CB-CG1 4.17Å; L80-I111 HydrophobicContact CB-CG2 4.15Å; L80-I111 HydrophobicContact CD1-CG2 3.68Å; L80-I111 HydrophobicContact CG-CG2 3.62Å; A106-I111 CarbonylContact C-O 3.46Å; A106-I111 HydrophobicContact CB-CB 4.46Å; A106-I111 PolarHBondContact O-N 3.4Å; A109-I111 VanDerWaalsContact C-N 3.29Å; A109-I111 HydrophobicContact CB-CD1 3.67Å; A109-I111 HydrophobicContact CB-CG1 3.85Å
112A98.5Very high98Very high14 Ų1451.7 Ų51.712%0.11629%0.293CS..EExtended strand (participates in β ladder)trans-96.5129.3173.600000111.1W17 R78 Y79 L80 V114W17-A112 HydrophobicContact CE3-CB 3.64Å; W17-A112 HydrophobicContact CZ3-CB 3.51Å; R78-A112 PolarHBondContact O-N 3.02Å; Y79-A112 CarbonylContact C-O 3.57Å; Y79-A112 WeakPolarHBondContact CA-O 3.35Å; Y79-A112 HydrophobicContact CD1-CB 4.3Å; L80-A112 PolarHBondContact N-O 3.47Å; A112-V114 HydrophobicContact CB-CG1 3.81Å; A112-V114 PolarHBondContact O-N 3.39Å
113I98.5Very high97.9Very high9 Ų959.2 Ų59.25%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-85.699168.2-59.6166.2000106.9F13 N15 I63 L80 C82 A106F13-I113 HydrophobicContact CB-CB 4.3Å; F13-I113 HydrophobicContact CD1-CD1 3.58Å; F13-I113 HydrophobicContact CD2-CB 4.48Å; F13-I113 HydrophobicContact CD2-CD1 4.21Å; F13-I113 HydrophobicContact CD2-CG2 4.05Å; F13-I113 HydrophobicContact CE1-CD1 3.58Å; F13-I113 HydrophobicContact CE2-CD1 4.2Å; F13-I113 HydrophobicContact CE2-CG2 4.48Å; F13-I113 HydrophobicContact CG-CB 4.28Å; F13-I113 HydrophobicContact CG-CD1 3.91Å; F13-I113 HydrophobicContact CG-CG2 4.35Å; F13-I113 HydrophobicContact CZ-CD1 3.89Å; N15-I113 PolarHBondContact ND2-O 2.86Å; I63-I113 HydrophobicContact CD1-CD1 3.93Å; I63-I113 HydrophobicContact CD1-CG1 4.44Å; L80-I113 HydrophobicContact CB-CG1 4.28Å; L80-I113 CarbonylContact O-C 3.56Å; L80-I113 VanDerWaalsContact O-CA 3.31Å; L80-I113 WeakPolarHBondContact O-CA 3.33Å; C82-I113 HydrophobicContact CB-CG2 3.98Å; A106-I113 HydrophobicContact CB-CD1 4.06Å; A106-I113 HydrophobicContact CB-CG1 4.22Å
114V97.9Very high97.9Very high9 Ų962.3 Ų62.36%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-93-19.6-164.1-62.40000114.1W17 A25 L27 Y79 L80 A112W17-V114 HydrophobicContact CB-CB 3.88Å; W17-V114 HydrophobicContact CB-CG1 3.78Å; W17-V114 HydrophobicContact CD2-CG1 4.04Å; W17-V114 HydrophobicContact CE3-CG1 4.05Å; W17-V114 HydrophobicContact CG-CB 4.49Å; W17-V114 HydrophobicContact CG-CG1 3.93Å; A25-V114 HydrophobicContact CB-CB 3.83Å; A25-V114 HydrophobicContact CB-CG2 3.71Å; L27-V114 HydrophobicContact CD2-CB 4.34Å; L27-V114 HydrophobicContact CD2-CG1 4.1Å; L27-V114 HydrophobicContact CD2-CG2 4.26Å; Y79-V114 HydrophobicContact CD1-CG1 3.57Å; Y79-V114 HydrophobicContact CE1-CG1 4.37Å; Y79-V114 HydrophobicContact CG-CG1 4.28Å; L80-V114 PolarHBondContact O-N 2.99Å; A112-V114 HydrophobicContact CB-CG1 3.81Å; A112-V114 PolarHBondContact O-N 3.39Å
115T97.4Very high97.8Very high46 Ų4659.4 Ų59.428%0.28235%0.35SS..EExtended strand (participates in β ladder)trans-154.5165177.1-171.70000110S81 C82S81-T115 VanDerWaalsContact CA-O 3.31Å; S81-T115 WeakPolarHBondContact CA-O 3.47Å; C82-T115 PolarHBondContact N-O 3.35Å
116G96.2Very high97.7Very high47 Ų4759 Ų5949%0.48535%0.347SS..EExtended strand (participates in β ladder)trans-170175.2176.800000114.2C82C82-G116 CarbonylContact O-C 3.43Å; C82-G116 WeakPolarHBondContact O-CA 3.17Å
117D95.9Very high97.7Very high81 Ų8161.2 Ų61.243%0.43336%0.359SS..EExtended strand (participates in β ladder)trans-142.7159.3177.4-175.538.9000110.7C82 G83 F84 K119C82-D117 PolarHBondContact O-N 2.84Å; G83-D117 WeakPolarHBondContact CA-O 3.47Å; F84-D117 PolarHBondContact N-O 3.3Å; D117-K119 IonicContact OD1-NZ 2.59Å; D117-K119 PolarHBondContact OD1-NZ 3.07Å; D117-K119 IonicContact OD2-NZ 3.02Å; D117-K119 PolarHBondContact OD2-NZ 3.11Å
118T96.7Very high97.7Very high14 Ų1457 Ų579%0.08635%0.345CS..EExtended strand (participates in β ladder)trans-143.1124178.8-58.90000109.9I5 F9 L86I5-T118 HydrophobicContact CG2-CG2 3.62Å; F9-T118 HydrophobicContact CE2-CG2 4.01Å; F9-T118 WeakPolarHBondContact CE2-OG1 3.32Å; L86-T118 HydrophobicContact CD1-CG2 3.36Å
119K97.1Very high97.7Very high109 Ų10951.4 Ų51.447%0.47431%0.311SS..EExtended strand (participates in β ladder)trans-120.8133.1173-63.8-66.4177.7-74.40109.7F84 I85 L86 D117F84-K119 PolarHBondContact O-N 3.06Å; I85-K119 WeakPolarHBondContact CA-O 3.45Å; L86-K119 PolarHBondContact N-O 3.15Å; D117-K119 IonicContact OD1-NZ 2.59Å; D117-K119 PolarHBondContact OD1-NZ 3.07Å; D117-K119 IonicContact OD2-NZ 3.02Å; D117-K119 PolarHBondContact OD2-NZ 3.11Å
120V97.5Very high97.7Very high58 Ų5852 Ų5235%0.35231%0.307SS..EExtended strand (participates in β ladder)trans-110.7125.6173.8-176.10000107.7I5 L86 E88I5-V120 HydrophobicContact CD1-CG2 4.06Å; L86-V120 HydrophobicContact CB-CG2 4.41Å; L86-V120 HydrophobicContact CD1-CG2 4.43Å; L86-V120 WeakPolarHBondContact O-CA 3.19Å; E88-V120 HydrophobicContact CB-CG1 4.12Å
121V97.8Very high97.7Very high43 Ų4349.8 Ų49.826%0.26128%0.283SS..EExtended strand (participates in β ladder)trans-112.7157.8177.1-60.80000110.4I85 L86 E88 A125 V126I85-V121 HydrophobicContact CG2-CG1 4.41Å; I85-V121 HydrophobicContact CG2-CG2 4.44Å; L86-V121 PolarHBondContact O-N 3.16Å; E88-V121 WeakPolarHBondContact CB-O 3.38Å; E88-V121 PolarHBondContact N-O 2.78Å; V121-A125 HydrophobicContact CB-CB 4.02Å; V121-A125 HydrophobicContact CG2-CB 3.83Å; V121-V126 HydrophobicContact CG2-CB 3.7Å; V121-V126 HydrophobicContact CG2-CG1 3.42Å; V121-V126 VanDerWaalsContact CG2-CG1 3.42Å
122Q97.4Very high97.7Very high127 Ų12752 Ų5259%0.59329%0.294SS*.  trans-60.1156.7179.967.1-79.1-3.500112.8G124 A125Q122-G124 PolarHBondContact O-N 3.34Å; Q122-A125 HydrophobicContact CG-CB 4.06Å; Q122-A125 WeakPolarHBondContact O-CB 3.48Å; Q122-A125 PolarHBondContact O-N 3.46Å
123R97.6Very high97.8Very high157 Ų15751.3 Ų51.359%0.59229%0.289SS*.THydrogen-bonded Turntrans-49.4134.1173.3-71.1178-175.483.62.3112E87 E88 A125E87-R123 WeakPolarHBondContact OE1-CA 3.25Å; E88-R123 HydrophobicContact CB-CG 4.48Å; E88-R123 WeakPolarHBondContact O-CG 3.49Å; E88-R123 PolarHBondContact O-NE 2.71Å; E88-R123 IonicContact OE1-CZ 3.71Å; E88-R123 IonicContact OE1-NH1 2.91Å; E88-R123 PolarHBondContact OE1-NH1 2.95Å; E88-R123 IonicContact OE1-NH2 3.8Å; E88-R123 IonicContact OE2-NH1 3.25Å; E88-R123 PolarHBondContact OE2-NH1 2.98Å; R123-A125 VanDerWaalsContact C-N 3.3Å; R123-A125 PolarHBondContact O-N 3.48Å
124G97Very high97.8Very high72 Ų7251.3 Ų51.374%0.74229%0.29SS*.THydrogen-bonded Turntrans80.9-5.4-178.100000115.5E87 Q122E87-G124 PolarHBondContact OE1-N 2.99Å; Q122-G124 PolarHBondContact O-N 3.34Å
125A97.3Very high97.8Very high54 Ų5450.9 Ų50.945%0.44629%0.288SS..SBendtrans-85.4-24.917900000113.6V121 Q122 R123V121-A125 HydrophobicContact CB-CB 4.02Å; V121-A125 HydrophobicContact CG2-CB 3.83Å; Q122-A125 HydrophobicContact CG-CB 4.06Å; Q122-A125 WeakPolarHBondContact O-CB 3.48Å; Q122-A125 PolarHBondContact O-N 3.46Å; R123-A125 VanDerWaalsContact C-N 3.3Å; R123-A125 PolarHBondContact O-N 3.48Å
126V97.8Very high97.9Very high11 Ų1150.7 Ų50.77%0.06729%0.285CS..SBendtrans-140146.6171.878.10000107.2I85 E87 V121 K128 F130I85-V126 HydrophobicContact CG2-CB 4.34Å; I85-V126 HydrophobicContact CG2-CG1 4.41Å; I85-V126 HydrophobicContact CG2-CG2 4.03Å; E87-V126 HydrophobicContact CB-CG1 3.57Å; E87-V126 HydrophobicContact CG-CG1 4.27Å; E87-V126 WeakPolarHBondContact CG-O 3.05Å; E87-V126 VanDerWaalsContact N-CG1 3.28Å; V121-V126 HydrophobicContact CG2-CB 3.7Å; V121-V126 HydrophobicContact CG2-CG1 3.42Å; V121-V126 VanDerWaalsContact CG2-CG1 3.42Å; V126-K128 PolarHBondContact O-N 3.47Å; V126-F130 HydrophobicContact CB-CE2 4.47Å; V126-F130 HydrophobicContact CG2-CD1 4.3Å; V126-F130 HydrophobicContact CG2-CD2 3.16Å; V126-F130 HydrophobicContact CG2-CE1 4.24Å; V126-F130 HydrophobicContact CG2-CE2 3.14Å; V126-F130 HydrophobicContact CG2-CG 3.77Å; V126-F130 HydrophobicContact CG2-CZ 3.7Å
127D98.2Very high98Very high51 Ų5148.5 Ų48.527%0.27326%0.262SS..SBendtrans-8495.8175.3177.740000109.8L129 R320D127-L129 VanDerWaalsContact C-N 3.34Å; D127-L129 PolarHBondContact O-N 3.1Å; D127-R320 IonicContact OD2-CZ 2.68Å; D127-R320 VanDerWaalsContact OD2-CZ 3.25Å; D127-R320 IonicContact OD2-NH1 2.7Å; D127-R320 PolarHBondContact OD2-NH1 3.29Å; D127-R320 IonicContact OD2-NH2 2.7Å; D127-R320 PolarHBondContact OD2-NH2 3Å
128K98.4Very high98.2Very high79 Ų7944.8 Ų44.834%0.34324%0.242SC..SBendtrans65.4-74176.4-53.1175.3-16275.50115.1L51 E87 L90 V126L51-K128 HydrophobicContact CD1-CB 3.99Å; L51-K128 HydrophobicContact CD1-CD 4.14Å; L51-K128 HydrophobicContact CG-CD 4.48Å; E87-K128 WeakPolarHBondContact CB-O 3.34Å; E87-K128 PolarHBondContact N-O 3.22Å; E87-K128 WeakPolarHBondContact OE2-CA 3.4Å; E87-K128 PolarHBondContact OE2-N 3.34Å; L90-K128 HydrophobicContact CD1-CB 3.9Å; V126-K128 PolarHBondContact O-N 3.47Å
129L98.7Very high98.3Very high0 Ų045.2 Ų45.20%024%0.244CC..EExtended strand (participates in β ladder)trans-158.3125.6-168.8-175.9149.6000111L51 I58 F84 I85 L86 L90 L95 V98 D127 I131L51-L129 HydrophobicContact CD1-CB 4.25Å; I58-L129 HydrophobicContact CD1-CD2 3.85Å; I58-L129 WeakPolarHBondContact CD1-O 3.33Å; I58-L129 HydrophobicContact CG1-CD2 4.42Å; I58-L129 HydrophobicContact CG2-CD2 3.91Å; F84-L129 HydrophobicContact CD1-CD1 4.44Å; I85-L129 WeakPolarHBondContact O-CA 3.28Å; L86-L129 HydrophobicContact CD2-CD1 4.04Å; L90-L129 HydrophobicContact CD2-CB 4.11Å; L90-L129 HydrophobicContact CD2-CD1 3.73Å; L90-L129 HydrophobicContact CD2-CG 4.5Å; L95-L129 HydrophobicContact CD1-CD1 3.69Å; V98-L129 HydrophobicContact CG1-CD2 4.49Å; D127-L129 VanDerWaalsContact C-N 3.34Å; D127-L129 PolarHBondContact O-N 3.1Å; L129-I131 HydrophobicContact CD2-CD1 3.72Å; L129-I131 HydrophobicContact CD2-CG1 3.38Å
130F98.8Very high98.3Very high51 Ų5140.2 Ų40.222%0.22422%0.223CC..EExtended strand (participates in β ladder)trans-118.2150.6166.1-58.4-26.4000110.4V47 I85 V126V47-F130 HydrophobicContact CB-CD1 3.87Å; V47-F130 HydrophobicContact CB-CE1 3.9Å; V47-F130 HydrophobicContact CB-CG 4.45Å; V47-F130 HydrophobicContact CB-CZ 4.44Å; V47-F130 HydrophobicContact CG1-CB 4.25Å; V47-F130 HydrophobicContact CG1-CD1 3.67Å; V47-F130 HydrophobicContact CG1-CD2 4.05Å; V47-F130 HydrophobicContact CG1-CE1 4.01Å; V47-F130 HydrophobicContact CG1-CE2 4.3Å; V47-F130 HydrophobicContact CG1-CG 3.74Å; V47-F130 HydrophobicContact CG1-CZ 4.32Å; I85-F130 HydrophobicContact CB-CB 4.38Å; I85-F130 PolarHBondContact N-O 3.27Å; I85-F130 PolarHBondContact O-N 3.43Å; V126-F130 HydrophobicContact CB-CE2 4.47Å; V126-F130 HydrophobicContact CG2-CD1 4.3Å; V126-F130 HydrophobicContact CG2-CD2 3.16Å; V126-F130 HydrophobicContact CG2-CE1 4.24Å; V126-F130 HydrophobicContact CG2-CE2 3.14Å; V126-F130 HydrophobicContact CG2-CG 3.77Å; V126-F130 HydrophobicContact CG2-CZ 3.7Å
131I98.9Very high98.3Very high3 Ų340.1 Ų40.12%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-128.3135.2179.8-47.8-177.7000108.6S45 Y46 I58 A62 G83 F84 V98 M102 L129 T133S45-I131 CarbonylContact C-O 3.49Å; S45-I131 WeakPolarHBondContact CA-O 3.29Å; Y46-I131 PolarHBondContact N-O 3.11Å; Y46-I131 PolarHBondContact O-N 3.36Å; I58-I131 HydrophobicContact CD1-CG1 4.35Å; I58-I131 HydrophobicContact CG1-CD1 4.02Å; I58-I131 HydrophobicContact CG1-CG1 4.24Å; I58-I131 HydrophobicContact CG2-CD1 4.26Å; A62-I131 HydrophobicContact CB-CB 4.2Å; A62-I131 HydrophobicContact CB-CD1 4.12Å; A62-I131 HydrophobicContact CB-CG2 3.87Å; G83-I131 WeakPolarHBondContact O-CA 3.27Å; F84-I131 HydrophobicContact CD1-CD1 4.34Å; F84-I131 HydrophobicContact CD1-CG1 3.99Å; F84-I131 HydrophobicContact CE1-CD1 3.74Å; F84-I131 HydrophobicContact CE1-CG1 3.89Å; F84-I131 HydrophobicContact CE1-CG2 4.37Å; F84-I131 HydrophobicContact CZ-CD1 4.49Å; V98-I131 HydrophobicContact CG1-CD1 3.95Å; M102-I131 HydrophobicContact CE-CD1 4.43Å; M102-I131 HydrophobicContact CE-CG2 4.17Å; M102-I131 HydrophobicContact SD-CD1 3.85Å; L129-I131 HydrophobicContact CD2-CD1 3.72Å; L129-I131 HydrophobicContact CD2-CG1 3.38Å; I131-T133 HydrophobicContact CG2-CG2 4.17Å
132N98.9Very high98.3Very high56 Ų5643.4 Ų43.430%0.29924%0.244SC..EExtended strand (participates in β ladder)trans-110.7138.2160.3173.2-96.1000108.8T43 D44 S45 C82 G83T43-N132 PolarHBondContact OG1-ND2 2.96Å; D44-N132 WeakPolarHBondContact O-CA 3.43Å; D44-N132 PolarHBondContact O-ND2 2.86Å; S45-N132 PolarHBondContact OG-ND2 2.85Å; S45-N132 VanDerWaalsContact OG-ND2 3.14Å; C82-N132 WeakPolarHBondContact CA-O 3.31Å; G83-N132 PolarHBondContact N-O 3.21Å; G83-N132 PolarHBondContact O-N 3.06Å
133T98.9Very high98.4Very high0 Ų037.7 Ų37.70%022%0.217CC..EExtended strand (participates in β ladder)trans-127.3147.6168.443.60000109.7T43 D44 Y46 A62 T66 S81 C82 M102 I131T43-T133 CarbonylContact C-O 3.46Å; T43-T133 WeakPolarHBondContact CA-O 3.5Å; T43-T133 WeakPolarHBondContact CB-O 3.25Å; T43-T133 PolarHBondContact OG1-O 3.49Å; D44-T133 PolarHBondContact N-O 2.86Å; D44-T133 PolarHBondContact O-N 2.91Å; Y46-T133 VanDerWaalsContact CE2-OG1 3.22Å; Y46-T133 WeakPolarHBondContact CE2-OG1 3.46Å; A62-T133 HydrophobicContact CB-CG2 4.18Å; A62-T133 PolarHBondContact O-OG1 3.32Å; T66-T133 PolarHBondContact OG1-OG1 2.95Å; S81-T133 VanDerWaalsContact O-CA 3.24Å; S81-T133 WeakPolarHBondContact O-CA 3.43Å; S81-T133 WeakPolarHBondContact O-CB 3.45Å; S81-T133 WeakPolarHBondContact O-CG2 3.4Å; C82-T133 HydrophobicContact CB-CG2 4.14Å; M102-T133 HydrophobicContact CE-CG2 4.28Å; I131-T133 HydrophobicContact CG2-CG2 4.17Å
134A98.9Very high98.4Very high9 Ų935.9 Ų35.97%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-127.9143.9168.600000108.4F41 S42 L80 S81F41-A134 HydrophobicContact CE2-CB 4.01Å; F41-A134 HydrophobicContact CZ-CB 4.17Å; S42-A134 CarbonylContact O-C 3.48Å; S42-A134 WeakPolarHBondContact O-CA 3.28Å; S42-A134 WeakPolarHBondContact O-CB 3.3Å; L80-A134 CarbonylContact C-O 3.57Å; L80-A134 VanDerWaalsContact CA-O 3.23Å; L80-A134 WeakPolarHBondContact CA-O 3.48Å; L80-A134 WeakPolarHBondContact CD2-O 3.25Å; S81-A134 PolarHBondContact N-O 3.22Å; S81-A134 PolarHBondContact O-N 2.85Å; S81-A134 WeakPolarHBondContact OG-CB 3.38Å; S81-A134 PolarHBondContact OG-N 2.98Å
135G98.9Very high98.5Very high1 Ų134.6 Ų34.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-141149.5-169.800000113.5F41 S42 V70 Y79 L80F41-G135 VanDerWaalsContact CA-O 3.31Å; F41-G135 WeakPolarHBondContact CA-O 3.4Å; F41-G135 VanDerWaalsContact CD2-O 3.28Å; F41-G135 WeakPolarHBondContact CD2-O 3.44Å; S42-G135 PolarHBondContact N-O 3.3Å; S42-G135 PolarHBondContact O-N 2.67Å; V70-G135 VanDerWaalsContact CG2-O 3.27Å; V70-G135 WeakPolarHBondContact CG2-O 3.19Å; Y79-G135 VanDerWaalsContact O-CA 3.31Å; Y79-G135 WeakPolarHBondContact O-CA 3.31Å; L80-G135 VanDerWaalsContact CD2-CA 3.49Å
136M98.9Very high98.5Very high42 Ų4232.6 Ų32.621%0.20717%0.173CC..EExtended strand (participates in β ladder)trans-140.5154.3178.165.8-178.474.700114.3L27 L39 A40 F41 R78 Y79L27-M136 HydrophobicContact CD1-CE 4.34Å; L27-M136 HydrophobicContact CD1-SD 3.68Å; L39-M136 HydrophobicContact CD1-CB 4.06Å; L39-M136 HydrophobicContact CD1-CG 4.49Å; L39-M136 HydrophobicContact CD1-SD 4.44Å; L39-M136 HydrophobicContact CD2-SD 4.24Å; L39-M136 HydrophobicContact CG-CB 4.27Å; A40-M136 WeakPolarHBondContact O-CA 3.4Å; A40-M136 WeakPolarHBondContact O-CB 3.48Å; F41-M136 HydrophobicContact CD2-CB 4.07Å; F41-M136 HydrophobicContact CD2-CE 4.22Å; F41-M136 HydrophobicContact CE2-CE 4.08Å; R78-M136 PolarHBondContact N-O 3.44Å; Y79-M136 HydrophobicContact CD2-CG 4.11Å; Y79-M136 HydrophobicContact CD2-SD 4.37Å; Y79-M136 PolarHBondContact N-O 3.05Å; Y79-M136 PolarHBondContact O-N 3.36Å
137G98.9Very high98.6Very high0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-164.2156.1173.800000110.4A40 I76A40-G137 WeakPolarHBondContact CB-O 3.37Å; A40-G137 PolarHBondContact N-O 3.46Å; A40-G137 PolarHBondContact O-N 2.8Å; I76-G137 WeakPolarHBondContact O-CA 3.32Å
138A98.8Very high98.6Very high4 Ų436.6 Ų36.63%0.03319%0.192CC..EExtended strand (participates in β ladder)trans-85.6131.2-179.600000111.4L32 E35 R38 A75L32-A138 HydrophobicContact CD2-CB 4.4Å; L32-A138 VanDerWaalsContact O-CB 3.23Å; L32-A138 WeakPolarHBondContact O-CB 3.26Å; E35-A138 HydrophobicContact CB-CB 3.78Å; R38-A138 CarbonylContact O-C 3.56Å; R38-A138 WeakPolarHBondContact O-CA 3.46Å; A75-A138 VanDerWaalsContact CA-O 3.27Å; A75-A138 WeakPolarHBondContact CA-O 3.21Å; A75-A138 VanDerWaalsContact CB-O 3.25Å; A75-A138 WeakPolarHBondContact CB-O 3.48Å
139I98.8Very high98.6Very high22 Ų2235.4 Ų35.411%0.11319%0.192CC..EExtended strand (participates in β ladder)trans-83.9121.9175.6-55.2171000108.5G36 D37 R38 A40 S73 A75 I143G36-I139 CarbonylContact C-O 3.59Å; G36-I139 WeakPolarHBondContact CA-O 3.07Å; D37-I139 PolarHBondContact N-O 2.81Å; R38-I139 HydrophobicContact CB-CB 4.15Å; R38-I139 HydrophobicContact CB-CD1 4.08Å; R38-I139 HydrophobicContact CB-CG1 4.44Å; R38-I139 PolarHBondContact O-N 2.94Å; A40-I139 HydrophobicContact CB-CD1 3.99Å; A40-I139 HydrophobicContact CB-CG1 3.82Å; S73-I139 WeakPolarHBondContact O-CG2 3.42Å; S73-I139 WeakPolarHBondContact OG-CG1 3.49Å; A75-I139 HydrophobicContact CB-CG1 4.09Å; I139-I143 HydrophobicContact CG2-CB 4.43Å
140P98.6Very high98.6Very high5 Ų535.6 Ų35.63%0.03219%0.193CC..PPolyproline II helixtrans-57.1139.1176.9-24.935.2000112.4R38 N142 I143R38-P140 PolarHBondContact NH2-O 3.25Å; R38-P140 VanDerWaalsContact NH2-O 3.13Å; P140-N142 WeakPolarHBondContact CB-OD1 3.12Å; P140-N142 PolarHBondContact O-N 3.35Å; P140-N142 VanDerWaalsContact O-N 3.07Å; P140-I143 HydrophobicContact CB-CD1 3.98Å; P140-I143 HydrophobicContact CB-CG1 4.09Å; P140-I143 HydrophobicContact CG-CD1 3.7Å; P140-I143 HydrophobicContact CG-CG1 4.36Å; P140-I143 PolarHBondContact O-N 3.05Å
141A97.9Very high98.6Very high56 Ų5636.7 Ų36.746%0.46320%0.203SC..THydrogen-bonded Turntrans-59.8-25.4-174.500000114.1D37 H144D37-A141 HydrophobicContact CB-CB 4.27Å; D37-A141 WeakPolarHBondContact OD1-CA 3.35Å; A141-H144 PolarHBondContact O-CE1 2.86Å; A141-H144 PolarHBondContact O-NE2 3.06Å; A141-H144 VanDerWaalsContact O-NE2 3.15Å
142N97.8Very high98.6Very high112 Ų11239.2 Ų39.260%0.59923%0.225SC*.THydrogen-bonded Turntrans-88.6-4.3178.867.2-36.5000114.2P140P140-N142 WeakPolarHBondContact CB-OD1 3.12Å; P140-N142 PolarHBondContact O-N 3.35Å; P140-N142 VanDerWaalsContact O-N 3.07Å
143I98.2Very high98.6Very high6 Ų637.8 Ų37.83%0.03122%0.224CC..  trans-97.4122.2177.1-60.8177.7000109.5R38 I139 P140 W145 R197R38-I143 PolarHBondContact NH1-O 3.32Å; R38-I143 VanDerWaalsContact NH1-O 3.1Å; R38-I143 PolarHBondContact NH2-O 2.78Å; I139-I143 HydrophobicContact CG2-CB 4.43Å; P140-I143 HydrophobicContact CB-CD1 3.98Å; P140-I143 HydrophobicContact CB-CG1 4.09Å; P140-I143 HydrophobicContact CG-CD1 3.7Å; P140-I143 HydrophobicContact CG-CG1 4.36Å; P140-I143 PolarHBondContact O-N 3.05Å; I143-W145 HydrophobicContact CG2-CB 4.38Å; I143-W145 HydrophobicContact CG2-CD2 3.48Å; I143-W145 VanDerWaalsContact CG2-CD2 3.48Å; I143-W145 HydrophobicContact CG2-CE3 3.9Å; I143-W145 HydrophobicContact CG2-CG 3.7Å; I143-W145 HydrophobicContact CG2-CZ2 4.26Å; I143-W145 HydrophobicContact CG2-CZ3 4.44Å; I143-R197 HydrophobicContact CD1-CG 3.66Å
144H98.2Very high98.6Very high120 Ų12038.2 Ų38.256%0.55623%0.226SC*.  trans-129.544.2-179.2-56.2-69.7000111.5A141 G146A141-H144 PolarHBondContact O-CE1 2.86Å; A141-H144 PolarHBondContact O-NE2 3.06Å; A141-H144 VanDerWaalsContact O-NE2 3.15Å; H144-G146 PolarHBondContact O-N 3.5Å
145W98.6Very high98.6Very high44 Ų4438.2 Ų38.217%0.16723%0.225CC..  trans-68132.2176.7-58.9-24.2000110.9I143 I193 L196 V202 K203 L205I143-W145 HydrophobicContact CG2-CB 4.38Å; I143-W145 HydrophobicContact CG2-CD2 3.48Å; I143-W145 VanDerWaalsContact CG2-CD2 3.48Å; I143-W145 HydrophobicContact CG2-CE3 3.9Å; I143-W145 HydrophobicContact CG2-CG 3.7Å; I143-W145 HydrophobicContact CG2-CZ2 4.26Å; I143-W145 HydrophobicContact CG2-CZ3 4.44Å; W145-I193 HydrophobicContact CH2-CG2 3.95Å; W145-I193 HydrophobicContact CZ3-CG2 3.73Å; W145-L196 HydrophobicContact CH2-CB 4.34Å; W145-L196 HydrophobicContact CZ2-CB 4.42Å; W145-V202 HydrophobicContact CD2-CG1 4.33Å; W145-V202 HydrophobicContact CG-CG1 4.5Å; W145-V202 HydrophobicContact CZ2-CB 4.47Å; W145-V202 HydrophobicContact CZ2-CG1 4.17Å; W145-V202 PolarHBondContact NE1-O 3.45Å; W145-K203 CarbonylContact C-O 3.56Å; W145-K203 VanDerWaalsContact CA-O 3.25Å; W145-K203 WeakPolarHBondContact CA-O 3.48Å; W145-L205 HydrophobicContact CE3-CB 4.22Å; W145-L205 HydrophobicContact CE3-CD2 4.22Å; W145-L205 HydrophobicContact CH2-CD2 4.5Å; W145-L205 HydrophobicContact CZ3-CD2 3.86Å
146G98.4Very high98.6Very high13 Ų1338.1 Ų38.113%0.13422%0.224CC..  trans-179.3134.7179.300000112.6H144 Q148 T149 K203H144-G146 PolarHBondContact O-N 3.5Å; G146-Q148 VanDerWaalsContact C-OE1 3.22Å; G146-Q148 PolarHBondContact O-N 3.33Å; G146-Q148 VanDerWaalsContact O-N 3.17Å; G146-T149 WeakPolarHBondContact O-CB 3.39Å; G146-T149 WeakPolarHBondContact O-CG2 3.31Å; G146-T149 PolarHBondContact O-N 2.9Å; G146-T149 PolarHBondContact O-OG1 3.02Å; G146-K203 PolarHBondContact N-O 3.28Å
147A98.6Very high98.6Very high16 Ų1636.2 Ų36.213%0.13222%0.215CC..G310 helixtrans-62.5-23.9-175.500000113.7T149 L150 A204 F220 A223 C224A147-T149 PolarHBondContact O-N 3.17Å; A147-L150 HydrophobicContact CB-CD1 4.46Å; A147-L150 VanDerWaalsContact O-CG 3.25Å; A147-L150 WeakPolarHBondContact O-CG 3.45Å; A147-L150 PolarHBondContact O-N 2.95Å; A147-A204 HydrophobicContact CB-CB 4.39Å; A147-F220 HydrophobicContact CB-CD1 3.57Å; A147-F220 HydrophobicContact CB-CE1 3.98Å; A147-F220 HydrophobicContact CB-CG 4.17Å; A147-A223 HydrophobicContact CB-CB 3.74Å; A147-C224 WeakPolarHBondContact O-CB 3.44Å
148Q98.5Very high98.6Very high130 Ų13036.2 Ų36.261%0.60722%0.215SC*.G310 helixtrans-64.5-15.7173.972.7-75.9-0.400113.9G146G146-Q148 VanDerWaalsContact C-OE1 3.22Å; G146-Q148 PolarHBondContact O-N 3.33Å; G146-Q148 VanDerWaalsContact O-N 3.17Å
149T98.6Very high98.6Very high53 Ų5336 Ų3633%0.32521%0.213SC..G310 helixtrans-86.3-9.6179.970.30000113.2G146 A147 K203G146-T149 WeakPolarHBondContact O-CB 3.39Å; G146-T149 WeakPolarHBondContact O-CG2 3.31Å; G146-T149 PolarHBondContact O-N 2.9Å; G146-T149 PolarHBondContact O-OG1 3.02Å; A147-T149 PolarHBondContact O-N 3.17Å; T149-K203 WeakPolarHBondContact O-CE 3.5Å; T149-K203 PolarHBondContact O-NZ 3.13Å; T149-K203 PolarHBondContact OG1-O 3.4Å
150L98.8Very high98.6Very high5 Ų535.1 Ų35.13%0.02621%0.209CC..  trans-68.5145.5-174.8-55.6-178.9000111.7A147 D154 K203 A204 F220 C224 A264 V292A147-L150 HydrophobicContact CB-CD1 4.46Å; A147-L150 VanDerWaalsContact O-CG 3.25Å; A147-L150 WeakPolarHBondContact O-CG 3.45Å; A147-L150 PolarHBondContact O-N 2.95Å; L150-D154 WeakPolarHBondContact CA-OD2 3.23Å; L150-K203 HydrophobicContact CD2-CB 3.67Å; L150-K203 HydrophobicContact CD2-CD 4.4Å; L150-A204 HydrophobicContact CD1-CB 4.4Å; L150-A204 HydrophobicContact CD2-CB 4.03Å; L150-A204 HydrophobicContact CG-CB 4.4Å; L150-F220 HydrophobicContact CD1-CB 4.05Å; L150-F220 HydrophobicContact CD1-CD2 3.8Å; L150-F220 HydrophobicContact CD1-CE2 4.46Å; L150-F220 HydrophobicContact CD1-CG 4.01Å; L150-C224 HydrophobicContact CB-CB 3.8Å; L150-C224 WeakPolarHBondContact O-CB 3.13Å; L150-A264 HydrophobicContact CD1-CB 3.78Å; L150-A264 HydrophobicContact CD2-CB 3.44Å; L150-A264 VanDerWaalsContact CD2-CB 3.44Å; L150-A264 HydrophobicContact CG-CB 4.26Å; L150-V292 HydrophobicContact CB-CG2 4.48Å
151T98.8Very high98.6Very high73 Ų7335.4 Ų35.445%0.44821%0.211SC..  trans-140.1155-17747.10000110.4G153 D154 K203 V292T151-G153 PolarHBondContact O-N 3.26Å; T151-D154 PolarHBondContact N-OD2 3.03Å; T151-D154 WeakPolarHBondContact O-CB 3.48Å; T151-D154 PolarHBondContact O-N 2.7Å; T151-D154 VanDerWaalsContact O-N 3.15Å; T151-D154 PolarHBondContact OG1-OD2 2.67Å; T151-K203 PolarHBondContact OG1-NZ 2.93Å; T151-V292 WeakPolarHBondContact O-CB 3.47Å; T151-V292 WeakPolarHBondContact O-CG1 3.47Å
152A98.8Very high98.6Very high56 Ų5632.8 Ų32.846%0.46319%0.189SC..THydrogen-bonded Turntrans-53.4132.3175.300000111.3V292 E294A152-V292 WeakPolarHBondContact CA-O 3.5Å; A152-E294 HydrophobicContact CB-CB 4.38Å
153G98.6Very high98.7Very high27 Ų2727.5 Ų27.528%0.27816%0.161SC..THydrogen-bonded Turntrans104.9-23.6-175.500000114T151 R267 V292T151-G153 PolarHBondContact O-N 3.26Å; G153-R267 PolarHBondContact O-NE 2.9Å; G153-R267 PolarHBondContact O-NH2 3.48Å; G153-V292 PolarHBondContact N-O 2.68Å
154D98.9Very high98.7Very high9 Ų927.4 Ų27.45%0.04816%0.16CC..  trans-59.1153.2172.9-63.8-19.5000110.8L150 T151 K203 V265 E291 V292L150-D154 WeakPolarHBondContact CA-OD2 3.23Å; T151-D154 PolarHBondContact N-OD2 3.03Å; T151-D154 WeakPolarHBondContact O-CB 3.48Å; T151-D154 PolarHBondContact O-N 2.7Å; T151-D154 VanDerWaalsContact O-N 3.15Å; T151-D154 PolarHBondContact OG1-OD2 2.67Å; D154-K203 IonicContact OD1-NZ 3.38Å; D154-K203 PolarHBondContact OD1-NZ 3.07Å; D154-K203 WeakPolarHBondContact OD2-CD 3.44Å; D154-K203 WeakPolarHBondContact OD2-CE 3.34Å; D154-K203 IonicContact OD2-NZ 2.71Å; D154-K203 PolarHBondContact OD2-NZ 3.08Å; D154-V265 WeakPolarHBondContact CA-O 3.32Å; D154-V265 WeakPolarHBondContact CB-O 3.39Å; D154-E291 CarbonylContact O-C 3.53Å; D154-E291 WeakPolarHBondContact O-CA 3.31Å; D154-V292 HydrophobicContact CB-CB 4.12Å; D154-V292 HydrophobicContact CB-CG2 3.87Å; D154-V292 PolarHBondContact O-N 2.82Å
155V98.8Very high98.7Very high8 Ų821.7 Ų21.75%0.04813%0.134CC..EExtended strand (participates in β ladder)trans-114.2151.4179.5-570000111.5L157 A264 V265 R267 A270 L288V155-L157 HydrophobicContact CG2-CD1 4.22Å; V155-A264 WeakPolarHBondContact O-CA 3.39Å; V155-V265 HydrophobicContact CG2-CG2 3.39Å; V155-V265 PolarHBondContact N-O 3.46Å; V155-V265 PolarHBondContact O-N 3.19Å; V155-R267 HydrophobicContact CG1-CB 4.41Å; V155-R267 HydrophobicContact CG1-CG 4.22Å; V155-A270 HydrophobicContact CG2-CB 3.57Å; V155-L288 HydrophobicContact CB-CD1 4.14Å; V155-L288 HydrophobicContact CG1-CD1 4.43Å; V155-L288 HydrophobicContact CG2-CD1 4.15Å
156L98.9Very high98.7Very high0 Ų019.6 Ų19.60%013%0.126CC..EExtended strand (participates in β ladder)trans-108.8135.1178.4-69.296.8000111.1V217 F220 I228 V262 I263 I289 G290 E291 V292L156-V217 HydrophobicContact CD2-CG1 3.85Å; L156-F220 HydrophobicContact CD2-CD2 4.15Å; L156-I228 HydrophobicContact CD1-CG1 4.25Å; L156-I228 HydrophobicContact CD1-CG2 3.92Å; L156-I228 HydrophobicContact CD2-CD1 4.09Å; L156-I228 HydrophobicContact CD2-CG2 4.08Å; L156-V262 HydrophobicContact CD2-CG1 4.33Å; L156-I263 CarbonylContact C-O 3.57Å; L156-I263 WeakPolarHBondContact CA-O 3.31Å; L156-I289 HydrophobicContact CB-CG1 4.27Å; L156-I289 PolarHBondContact O-N 2.94Å; L156-G290 PolarHBondContact N-O 2.9Å; L156-G290 PolarHBondContact O-N 2.88Å; L156-E291 VanDerWaalsContact CD1-C 3.48Å; L156-V292 HydrophobicContact CD1-CG2 3.86Å
157L98.9Very high98.7Very high1 Ų119 Ų191%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-123.9157.9174-53.293.3000110.3V155 V262 I263 V265 L274 A287V155-L157 HydrophobicContact CG2-CD1 4.22Å; L157-V262 WeakPolarHBondContact O-CA 3.44Å; L157-I263 HydrophobicContact CB-CB 4.35Å; L157-I263 PolarHBondContact N-O 2.98Å; L157-I263 PolarHBondContact O-N 3.34Å; L157-V265 HydrophobicContact CD1-CB 4.29Å; L157-V265 HydrophobicContact CD1-CG1 3.85Å; L157-V265 HydrophobicContact CD1-CG2 3.39Å; L157-L274 HydrophobicContact CD2-CB 4.02Å; L157-L274 HydrophobicContact CD2-CD1 3.97Å; L157-A287 CarbonylContact C-O 3.48Å; L157-A287 WeakPolarHBondContact CA-O 3.5Å; L157-A287 WeakPolarHBondContact CB-O 3.33Å
158V98.9Very high98.7Very high1 Ų118.2 Ų18.21%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-117.4148.1163.5-68.60000109.4G160 L162 V213 P236 L261 V262 A286 A287 I289V158-G160 VanDerWaalsContact C-N 3.27Å; V158-G160 PolarHBondContact O-N 2.95Å; V158-L162 HydrophobicContact CB-CD2 4.09Å; V158-L162 HydrophobicContact CG1-CD2 4.02Å; V158-L162 HydrophobicContact CG2-CD2 4.12Å; V158-V213 HydrophobicContact CG1-CG1 4.46Å; V158-V213 HydrophobicContact CG1-CG2 4.19Å; V158-P236 HydrophobicContact CG2-CG 3.64Å; V158-L261 CarbonylContact C-O 3.5Å; V158-L261 VanDerWaalsContact CA-O 3.25Å; V158-L261 WeakPolarHBondContact CA-O 3.26Å; V158-V262 HydrophobicContact CG1-CG2 4.32Å; V158-A286 CarbonylContact O-C 3.6Å; V158-A286 WeakPolarHBondContact O-CA 3.29Å; V158-A286 WeakPolarHBondContact O-CB 3.19Å; V158-A287 PolarHBondContact N-O 2.85Å; V158-A287 PolarHBondContact O-N 3.49Å; V158-I289 HydrophobicContact CG1-CD1 3.49Å; V158-I289 VanDerWaalsContact CG1-CD1 3.49Å; V158-I289 HydrophobicContact CG1-CG1 4.19Å; V158-I289 HydrophobicContact CG2-CG2 3.75Å
159S98.9Very high98.7Very high0 Ų012.1 Ų12.10%09%0.085CC..SBendtrans-78.1-8.2-177.868.60000114.6K260 L261 G283 A286S159-K260 WeakPolarHBondContact OG-CA 3.39Å; S159-L261 PolarHBondContact N-O 2.9Å; S159-L261 PolarHBondContact OG-N 2.75Å; S159-G283 WeakPolarHBondContact O-CA 3.36Å; S159-A286 PolarHBondContact O-N 3.23Å
160G98.8Very high98.6Very high2 Ų29.7 Ų9.72%0.0217%0.07CC..SBendtrans-177.4-166.2-178.400000112.6V158 P236 D285V158-G160 VanDerWaalsContact C-N 3.27Å; V158-G160 PolarHBondContact O-N 2.95Å; G160-P236 VanDerWaalsContact O-CG 3.32Å; G160-P236 WeakPolarHBondContact O-CG 3.24Å; G160-D285 WeakPolarHBondContact CA-O 3.44Å
161T98.8Very high98.6Very high12 Ų129.7 Ų9.77%0.0747%0.07CC..  trans-62.5152.4178.151.40000112.8D164 P236 K238 K260 D285T161-D164 WeakPolarHBondContact CB-OD2 3.43Å; T161-D164 PolarHBondContact OG1-OD1 2.91Å; T161-D164 PolarHBondContact OG1-OD2 3.03Å; T161-P236 CarbonylContact C-O 3.44Å; T161-P236 WeakPolarHBondContact CA-O 3.42Å; T161-P236 HydrophobicContact CG2-CB 4.23Å; T161-K238 HydrophobicContact CG2-CG 3.75Å; T161-K238 WeakPolarHBondContact OG1-CE 3.08Å; T161-K260 VanDerWaalsContact O-CD 3.3Å; T161-K260 WeakPolarHBondContact O-CD 3.49Å; T161-K260 WeakPolarHBondContact O-CE 3.39Å; T161-K260 PolarHBondContact O-NZ 3.48Å; T161-D285 HydrophobicContact CG2-CB 4.03Å
162L98.8Very high98.5Very high1 Ų18.9 Ų8.91%0.0056%0.062CC..SBendtrans-101.9143.2-176.2-51.6-172.9000112.1V158 D164 V213 L235 P236 V237 A252 L253V158-L162 HydrophobicContact CB-CD2 4.09Å; V158-L162 HydrophobicContact CG1-CD2 4.02Å; V158-L162 HydrophobicContact CG2-CD2 4.12Å; L162-D164 PolarHBondContact O-N 2.86Å; L162-V213 HydrophobicContact CD1-CG2 4.03Å; L162-V213 HydrophobicContact CD2-CG2 3.67Å; L162-V213 HydrophobicContact CG-CG2 4.43Å; L162-L235 HydrophobicContact CD1-CB 4.45Å; L162-L235 HydrophobicContact CD1-CD2 4.07Å; L162-P236 PolarHBondContact N-O 3.47Å; L162-V237 HydrophobicContact CB-CG2 4.48Å; L162-A252 HydrophobicContact CB-CB 4.5Å; L162-L253 HydrophobicContact CD1-CD2 3.96Å
163G98.3Very high98.4Very high0 Ų010.2 Ų10.20%06%0.056CC..SBendtrans78.210.6167.700000116.1H165 A167 F255 N257G163-H165 PolarHBondContact O-N 3.32Å; G163-A167 WeakPolarHBondContact O-CB 3.42Å; G163-A167 PolarHBondContact O-N 2.99Å; G163-F255 VanDerWaalsContact CA-CB 3.41Å; G163-N257 PolarHBondContact N-OD1 3.03Å
164D98.8Very high98.4Very high4 Ų413 Ų132%0.0216%0.061CC..Hα-helixtrans-56.7-47.4-177.7-66.6-84.6000112.4T161 L162 T168 D185 K238 K260T161-D164 WeakPolarHBondContact CB-OD2 3.43Å; T161-D164 PolarHBondContact OG1-OD1 2.91Å; T161-D164 PolarHBondContact OG1-OD2 3.03Å; L162-D164 PolarHBondContact O-N 2.86Å; D164-T168 WeakPolarHBondContact O-CB 3.26Å; D164-T168 PolarHBondContact O-N 2.77Å; D164-T168 PolarHBondContact O-OG1 2.95Å; D164-D185 HydrophobicContact CB-CB 4.19Å; D164-K238 VanDerWaalsContact OD1-CD 3.28Å; D164-K238 WeakPolarHBondContact OD1-CD 3.32Å; D164-K238 WeakPolarHBondContact OD1-CE 3.42Å; D164-K238 IonicContact OD1-NZ 3.47Å; D164-K238 PolarHBondContact OD1-NZ 3.19Å; D164-K238 IonicContact OD2-NZ 3.49Å; D164-K260 IonicContact OD2-NZ 3.96Å; D164-K260 PolarHBondContact OD2-NZ 3.07Å
165H98.7Very high98.2Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-67.9-54.4179.3176.386.4000111.6I48 G163 A167 T168 I169 S184 D185 E258 I321I48-H165 VanDerWaalsContact CD1-CE1 3.44Å; I48-H165 WeakPolarHBondContact CD1-CE1 3.49Å; G163-H165 PolarHBondContact O-N 3.32Å; H165-A167 VanDerWaalsContact C-N 3.3Å; H165-A167 PolarHBondContact O-N 3.2Å; H165-T168 WeakPolarHBondContact O-CB 3.39Å; H165-T168 PolarHBondContact O-N 3.3Å; H165-I169 WeakPolarHBondContact O-CG1 3.4Å; H165-I169 PolarHBondContact O-N 3.14Å; H165-S184 PolarHBondContact ND1-OG 2.96Å; H165-D185 VanDerWaalsContact CB-OD1 3.28Å; H165-D185 WeakPolarHBondContact CB-OD1 3.2Å; H165-E258 HydrophobicContact CB-CB 4.4Å; H165-E258 HydrophobicContact CB-CG 4.15Å; H165-I321 PolarHBondContact NE2-O 3.39Å
166G98.2Very high98.1Very high0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-53.5-45.5178.200000113T168 I169 L170 A256G166-T168 PolarHBondContact O-N 3.41Å; G166-I169 PolarHBondContact O-N 2.9Å; G166-L170 WeakPolarHBondContact O-CB 3.44Å; G166-L170 VanDerWaalsContact O-CG 3.25Å; G166-L170 WeakPolarHBondContact O-CG 3.34Å; G166-L170 PolarHBondContact O-N 3.2Å; G166-A256 PolarHBondContact N-O 3.06Å
167A98.3Very high97.9Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-65-38.5176.800000112.8G163 H165 L170 N171 L182 V241 V244 F255G163-A167 WeakPolarHBondContact O-CB 3.42Å; G163-A167 PolarHBondContact O-N 2.99Å; H165-A167 VanDerWaalsContact C-N 3.3Å; H165-A167 PolarHBondContact O-N 3.2Å; A167-L170 PolarHBondContact O-N 3.34Å; A167-N171 WeakPolarHBondContact O-CB 3.34Å; A167-N171 PolarHBondContact O-N 3.27Å; A167-L182 HydrophobicContact CB-CD1 4.49Å; A167-L182 HydrophobicContact CB-CD2 3.95Å; A167-V241 HydrophobicContact CB-CB 4.34Å; A167-V241 HydrophobicContact CB-CG1 4.05Å; A167-V241 HydrophobicContact CB-CG2 3.96Å; A167-V244 HydrophobicContact CB-CB 4.27Å; A167-V244 HydrophobicContact CB-CG1 4.35Å; A167-V244 HydrophobicContact CB-CG2 4.07Å; A167-F255 HydrophobicContact CB-CD2 4.17Å; A167-F255 HydrophobicContact CB-CE2 4.21Å
168T98.6Very high97.7Very high1 Ų126.7 Ų26.71%0.00614%0.144CC..Hα-helixtrans-60.7-45.6175.7-59.90000110.9P54 D164 H165 G166 L172 V183 S184P54-T168 HydrophobicContact CB-CG2 4.23Å; P54-T168 HydrophobicContact CG-CG2 4.28Å; D164-T168 WeakPolarHBondContact O-CB 3.26Å; D164-T168 PolarHBondContact O-N 2.77Å; D164-T168 PolarHBondContact O-OG1 2.95Å; H165-T168 WeakPolarHBondContact O-CB 3.39Å; H165-T168 PolarHBondContact O-N 3.3Å; G166-T168 PolarHBondContact O-N 3.41Å; T168-L172 HydrophobicContact CG2-CD1 4.47Å; T168-L172 WeakPolarHBondContact O-CG 3.22Å; T168-L172 PolarHBondContact O-N 3.02Å; T168-V183 PolarHBondContact OG1-N 3.37Å; T168-S184 PolarHBondContact OG1-N 3.43Å
169I98.2Very high97.2Very high2 Ų232.4 Ų32.41%0.0117%0.174CC..Hα-helixtrans-70.5-42.5-179.9-55.8-52000111.3I48 F53 H165 G166 N171 L172 R173 I321I48-I169 HydrophobicContact CD1-CD1 3.86Å; I48-I169 HydrophobicContact CD1-CG1 4.15Å; I48-I169 HydrophobicContact CG1-CD1 4.38Å; F53-I169 HydrophobicContact CB-CD1 3.9Å; F53-I169 HydrophobicContact CD1-CD1 4.03Å; F53-I169 HydrophobicContact CD2-CD1 4.22Å; F53-I169 HydrophobicContact CG-CD1 3.79Å; H165-I169 WeakPolarHBondContact O-CG1 3.4Å; H165-I169 PolarHBondContact O-N 3.14Å; G166-I169 PolarHBondContact O-N 2.9Å; I169-N171 PolarHBondContact O-N 2.97Å; I169-L172 PolarHBondContact O-N 2.78Å; I169-R173 HydrophobicContact CG2-CG 4.02Å; I169-R173 VanDerWaalsContact O-CB 3.32Å; I169-R173 WeakPolarHBondContact O-CB 3.45Å; I169-R173 VanDerWaalsContact O-CG 3.31Å; I169-R173 WeakPolarHBondContact O-CG 3.45Å; I169-R173 PolarHBondContact O-N 2.99Å; I169-I321 HydrophobicContact CB-CG2 4.46Å; I169-I321 HydrophobicContact CG1-CG2 4.45Å; I169-I321 HydrophobicContact CG2-CG1 4.38Å
170L97.5Very high96.8Very high1 Ų136 Ų361%0.00521%0.212CC..Hα-helixtrans-56.6-47.9173.8-75168.5000111.4G166 A167 L172 R173 E174 V244 L248 L250 F255 P317 L318G166-L170 WeakPolarHBondContact O-CB 3.44Å; G166-L170 VanDerWaalsContact O-CG 3.25Å; G166-L170 WeakPolarHBondContact O-CG 3.34Å; G166-L170 PolarHBondContact O-N 3.2Å; A167-L170 PolarHBondContact O-N 3.34Å; L170-L172 PolarHBondContact O-N 3.43Å; L170-R173 PolarHBondContact O-N 3.5Å; L170-E174 WeakPolarHBondContact O-CB 3.35Å; L170-E174 PolarHBondContact O-N 3.17Å; L170-V244 HydrophobicContact CB-CG1 4.45Å; L170-V244 HydrophobicContact CD1-CG1 4.24Å; L170-L248 HydrophobicContact CD1-CD1 4.22Å; L170-L248 HydrophobicContact CD2-CD1 4.45Å; L170-L250 HydrophobicContact CD1-CD1 4.48Å; L170-F255 HydrophobicContact CD1-CD1 4.22Å; L170-F255 HydrophobicContact CD1-CE1 3.64Å; L170-F255 HydrophobicContact CD1-CE2 4.19Å; L170-F255 HydrophobicContact CD1-CZ 3.63Å; L170-P317 HydrophobicContact CD1-CB 4.13Å; L170-P317 HydrophobicContact CD2-CB 4.08Å; L170-L318 HydrophobicContact CD2-CB 3.98Å; L170-L318 HydrophobicContact CD2-CD1 3.62Å; L170-L318 HydrophobicContact CD2-CG 4.41Å
171N97.9Very high96.6Very high5 Ų542.1 Ų42.13%0.02724%0.24CC..Hα-helixtrans-57.1-47.1177.1170.869.3000112.4A167 I169 Q175 L176 G177 L178 D179 L182A167-N171 WeakPolarHBondContact O-CB 3.34Å; A167-N171 PolarHBondContact O-N 3.27Å; I169-N171 PolarHBondContact O-N 2.97Å; N171-Q175 VanDerWaalsContact O-CA 3.24Å; N171-Q175 WeakPolarHBondContact O-CA 3.41Å; N171-Q175 PolarHBondContact O-N 2.97Å; N171-L176 PolarHBondContact O-N 2.79Å; N171-G177 PolarHBondContact OD1-N 2.9Å; N171-L178 WeakPolarHBondContact OD1-CA 3.42Å; N171-L178 WeakPolarHBondContact OD1-CB 3.38Å; N171-L178 PolarHBondContact OD1-N 3.14Å; N171-D179 PolarHBondContact ND2-OD1 3.21Å; N171-L182 HydrophobicContact CB-CD1 3.58Å
172L97.5Very high96.6Very high56 Ų5641.9 Ų41.929%0.29324%0.238SC..Hα-helixtrans-65.3-40.9-179.8-71.5172000112.4P50 F53 T168 I169 L170P50-L172 HydrophobicContact CG-CD1 3.92Å; F53-L172 HydrophobicContact CB-CD1 3.66Å; T168-L172 HydrophobicContact CG2-CD1 4.47Å; T168-L172 WeakPolarHBondContact O-CG 3.22Å; T168-L172 PolarHBondContact O-N 3.02Å; I169-L172 PolarHBondContact O-N 2.78Å; L170-L172 PolarHBondContact O-N 3.43Å
173R97Very high96.6Very high85 Ų8545.5 Ų45.532%0.32126%0.26SS..Hα-helixtrans-82-35.1-172.5-71.6-72.9-61.4-68.2-5.3113D49 I169 L170D49-R173 VanDerWaalsContact O-CD 3.26Å; D49-R173 WeakPolarHBondContact O-CD 3.16Å; D49-R173 WeakPolarHBondContact O-CG 3.43Å; D49-R173 PolarHBondContact O-NH1 3.15Å; D49-R173 IonicContact OD2-CZ 2.75Å; D49-R173 IonicContact OD2-NE 2.76Å; D49-R173 PolarHBondContact OD2-NE 3.4Å; D49-R173 IonicContact OD2-NH1 3.93Å; D49-R173 PolarHBondContact OD2-NH1 3.25Å; D49-R173 IonicContact OD2-NH2 2.86Å; I169-R173 HydrophobicContact CG2-CG 4.02Å; I169-R173 VanDerWaalsContact O-CB 3.32Å; I169-R173 WeakPolarHBondContact O-CB 3.45Å; I169-R173 VanDerWaalsContact O-CG 3.31Å; I169-R173 WeakPolarHBondContact O-CG 3.45Å; I169-R173 PolarHBondContact O-N 2.99Å; L170-R173 PolarHBondContact O-N 3.5Å
174E96.9Very high96.6Very high84 Ų8445.9 Ų45.939%0.39326%0.263SS..Hα-helixtrans-97-3.2178.1-59.2-165.9164.600113.3L170 L176 L248 L318L170-E174 WeakPolarHBondContact O-CB 3.35Å; L170-E174 PolarHBondContact O-N 3.17Å; E174-L176 HydrophobicContact CB-CD2 3.7Å; E174-L176 HydrophobicContact CB-CG 3.98Å; E174-L176 PolarHBondContact O-N 3.18Å; E174-L248 VanDerWaalsContact OE2-CD2 3.23Å; E174-L248 WeakPolarHBondContact OE2-CD2 3.16Å; E174-L318 HydrophobicContact CG-CD1 3.72Å; E174-L318 VanDerWaalsContact OE1-CD1 3.25Å; E174-L318 WeakPolarHBondContact OE1-CD1 3.47Å
175Q96Very high96.6Very high171 Ų17147 Ų4780%0.79927%0.269SS*.THydrogen-bonded Turntrans55.349.4179.2-57.1179.92.500112.4N171 G177N171-Q175 VanDerWaalsContact O-CA 3.24Å; N171-Q175 WeakPolarHBondContact O-CA 3.41Å; N171-Q175 PolarHBondContact O-N 2.97Å; Q175-G177 PolarHBondContact O-N 2.74Å; Q175-G177 VanDerWaalsContact O-N 3.11Å
176L95.8Very high96.6Very high41 Ų4147 Ų4722%0.21527%0.269CS..  trans-70-7.4-173.9-56.6178.8000114N171 E174 V244 L247 L248N171-L176 PolarHBondContact O-N 2.79Å; E174-L176 HydrophobicContact CB-CD2 3.7Å; E174-L176 HydrophobicContact CB-CG 3.98Å; E174-L176 PolarHBondContact O-N 3.18Å; L176-V244 HydrophobicContact CD1-CG1 4.07Å; L176-V244 HydrophobicContact CD1-CG2 4.22Å; L176-L247 HydrophobicContact CB-CD1 4.31Å; L176-L248 HydrophobicContact CD1-CD1 4.06Å; L176-L248 HydrophobicContact CD1-CG 4.37Å; L176-L248 HydrophobicContact CD2-CD2 4.05Å
177G95.1Very high96.7Very high65 Ų6547.9 Ų47.967%0.6728%0.276SS*.SBendtrans80.623175.800000114.4N171 Q175N171-G177 PolarHBondContact OD1-N 2.9Å; Q175-G177 PolarHBondContact O-N 2.74Å; Q175-G177 VanDerWaalsContact O-N 3.11Å
178L94.2Very high96.7Very high29 Ų2949 Ų4915%0.15228%0.282CS..  trans-107.528.8179.4-60.6168.3000112.3N171 G180 E181 L182 V244 L247N171-L178 WeakPolarHBondContact OD1-CA 3.42Å; N171-L178 WeakPolarHBondContact OD1-CB 3.38Å; N171-L178 PolarHBondContact OD1-N 3.14Å; L178-G180 PolarHBondContact O-N 3.11Å; L178-E181 PolarHBondContact O-N 3.05Å; L178-L182 HydrophobicContact CB-CD1 4.05Å; L178-L182 HydrophobicContact CD1-CD1 4.28Å; L178-V244 HydrophobicContact CD1-CG2 3.67Å; L178-L247 HydrophobicContact CD1-CD1 4.24Å
179D89Confident96.7Very high121 Ų12148.9 Ų48.965%0.64728%0.282SS*.THydrogen-bonded Turntrans-62.5130.4-179-69.2-20.7000111.5N171N171-D179 PolarHBondContact ND2-OD1 3.21Å
180G90.5Very high96.7Very high77 Ų7749.6 Ų49.679%0.79429%0.287SS*.THydrogen-bonded Turntrans90.5-10.1-17700000114.9L178L178-G180 PolarHBondContact O-N 3.11Å
181E95.1Very high96.8Very high129 Ų12952.9 Ų52.960%0.60331%0.308SS*.THydrogen-bonded Turntrans-97.3-22.6177.9-59.1-168.6-165.400113.6L178 A240L178-E181 PolarHBondContact O-N 3.05Å; E181-A240 HydrophobicContact CB-CB 3.89Å
182L98.3Very high96.8Very high7 Ų752.6 Ų52.64%0.03731%0.306CS..  trans-112.7134.3-175.2-69.5162.4000111.2P54 A167 N171 L178 A240 V241 V244P54-L182 WeakPolarHBondContact CB-O 3.49Å; A167-L182 HydrophobicContact CB-CD1 4.49Å; A167-L182 HydrophobicContact CB-CD2 3.95Å; N171-L182 HydrophobicContact CB-CD1 3.58Å; L178-L182 HydrophobicContact CB-CD1 4.05Å; L178-L182 HydrophobicContact CD1-CD1 4.28Å; L182-A240 HydrophobicContact CD2-CB 3.71Å; L182-A240 HydrophobicContact CG-CB 3.99Å; L182-V241 HydrophobicContact CD2-CG2 3.83Å; L182-V244 HydrophobicContact CD1-CG2 3.82Å
183V98.7Very high96.9Very high78 Ų7850 Ų5047%0.47329%0.293SS..  trans-140.1129.8178.3-177.40000108.3P54 T168P54-V183 HydrophobicContact CB-CG2 4.31Å; T168-V183 PolarHBondContact OG1-N 3.37Å
184S98.7Very high96.9Very high8 Ų848.3 Ų48.36%0.05629%0.289CS..  trans-61.2142.3173.7169.40000111P54 H165 T168 C186P54-S184 WeakPolarHBondContact O-CB 3.3Å; P54-S184 PolarHBondContact O-N 3.48Å; H165-S184 PolarHBondContact ND1-OG 2.96Å; T168-S184 PolarHBondContact OG1-N 3.43Å; S184-C186 VanDerWaalsContact C-N 3.27Å; S184-C186 PolarHBondContact O-N 3.33Å; S184-C186 WeakPolarHBondContact OG-CB 3.31Å; S184-C186 PolarHBondContact OG-N 2.88Å; S184-C186 VanDerWaalsContact OG-N 3.16Å
185D98.8Very high97Very high26 Ų2646.3 Ų46.314%0.13928%0.282CS..  trans-83.48.3175.662.8-16.2000114.5D164 H165 A187 E258 G259 K260D164-D185 HydrophobicContact CB-CB 4.19Å; H165-D185 VanDerWaalsContact CB-OD1 3.28Å; H165-D185 WeakPolarHBondContact CB-OD1 3.2Å; D185-A187 PolarHBondContact O-N 2.99Å; D185-A187 VanDerWaalsContact O-N 3.08Å; D185-E258 PolarHBondContact OD1-N 2.68Å; D185-G259 WeakPolarHBondContact O-CA 3.42Å; D185-G259 PolarHBondContact OD2-N 3.5Å; D185-K260 VanDerWaalsContact OD2-CE 3.27Å; D185-K260 WeakPolarHBondContact OD2-CE 3.38Å; D185-K260 WeakPolarHBondContact OD2-CG 3.49Å; D185-K260 IonicContact OD2-NZ 2.91Å; D185-K260 PolarHBondContact OD2-NZ 3.42Å
186C98.8Very high97.1Very high2 Ų238.2 Ų38.21%0.01424%0.244CC..  trans-49.4114.4-174.4-178.50000112.4K60 S184 E258K60-C186 WeakPolarHBondContact CE-O 3.32Å; K60-C186 PolarHBondContact NZ-O 3.22Å; S184-C186 VanDerWaalsContact C-N 3.27Å; S184-C186 PolarHBondContact O-N 3.33Å; S184-C186 WeakPolarHBondContact OG-CB 3.31Å; S184-C186 PolarHBondContact OG-N 2.88Å; S184-C186 VanDerWaalsContact OG-N 3.16Å; C186-E258 WeakPolarHBondContact CA-O 3.28Å; C186-E258 HydrophobicContact CB-CB 3.88Å
187A98.9Very high97.1Very high17 Ų1739.5 Ų39.514%0.1425%0.246CC..  trans-156.6151.4-176.300000112.3N68 D185 L189 E258 L282N68-A187 PolarHBondContact ND2-O 2.94Å; N68-A187 PolarHBondContact OD1-O 2.87Å; D185-A187 PolarHBondContact O-N 2.99Å; D185-A187 VanDerWaalsContact O-N 3.08Å; A187-L189 PolarHBondContact O-N 3.34Å; A187-E258 PolarHBondContact N-O 3.28Å; A187-L282 HydrophobicContact CB-CD2 3.99Å
188V98.9Very high97Very high23 Ų2342.8 Ų42.814%0.13925%0.249CC..  trans-77.4119.8166.71780000108.5C64 A67 T105 A109 T190 P191C64-V188 HydrophobicContact CB-CG2 4.46Å; C64-V188 PolarHBondContact SG-N 3.45Å; A67-V188 HydrophobicContact CB-CG1 4.19Å; A67-V188 HydrophobicContact CB-CG2 4.42Å; T105-V188 HydrophobicContact CG2-CG2 4.04Å; A109-V188 HydrophobicContact CB-CB 4.45Å; A109-V188 HydrophobicContact CB-CG1 4.06Å; A109-V188 HydrophobicContact CB-CG2 4.15Å; V188-T190 WeakPolarHBondContact CG1-OG1 3.34Å; V188-P191 WeakPolarHBondContact O-CD 3.18Å
189L98.9Very high97.1Very high0 Ų042.3 Ų42.30%025%0.246CC..  trans-91.1-4.7-172.5-63.1172.2000113.6N68 A187 P191 L192 I193 G259 L261 L282N68-L189 HydrophobicContact CB-CD1 4.47Å; N68-L189 WeakPolarHBondContact OD1-CB 3.38Å; N68-L189 PolarHBondContact OD1-N 2.89Å; A187-L189 PolarHBondContact O-N 3.34Å; L189-P191 VanDerWaalsContact C-CD 3.43Å; L189-P191 VanDerWaalsContact C-N 3.31Å; L189-L192 HydrophobicContact CD2-CD2 4.45Å; L189-L192 WeakPolarHBondContact O-CA 3.29Å; L189-L192 WeakPolarHBondContact O-CB 3.46Å; L189-L192 PolarHBondContact O-N 3.06Å; L189-I193 HydrophobicContact CB-CD1 3.92Å; L189-I193 HydrophobicContact CB-CG1 4.32Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 3.45Å; L189-G259 WeakPolarHBondContact CD2-O 3.47Å; L189-L261 HydrophobicContact CB-CD2 4.5Å; L189-L261 HydrophobicContact CD1-CD2 3.57Å; L189-L261 HydrophobicContact CD1-CG 3.96Å; L189-L282 HydrophobicContact CD2-CD1 4.28Å
190T98.9Very high97.4Very high17 Ų1741.4 Ų41.410%0.10425%0.247CC..Hα-helixtrans-47.8-46.5178.9-46.10000112.9A71 I76 V188 L192 I193 Q194A71-T190 HydrophobicContact CB-CG2 4.47Å; I76-T190 HydrophobicContact CG2-CG2 4.5Å; V188-T190 WeakPolarHBondContact CG1-OG1 3.34Å; T190-L192 VanDerWaalsContact C-N 3.3Å; T190-L192 PolarHBondContact O-N 2.93Å; T190-I193 PolarHBondContact O-N 3.33Å; T190-Q194 HydrophobicContact CG2-CG 4.31Å; T190-Q194 WeakPolarHBondContact O-CG 3.33Å; T190-Q194 PolarHBondContact O-N 3.25Å
191P98.7Very high97.7Very high69 Ų6938.2 Ų38.245%0.44821%0.214SC..Hα-helixtrans-60.7-36.7178.7-24.136.2000113.8V188 L189V188-P191 WeakPolarHBondContact O-CD 3.18Å; L189-P191 VanDerWaalsContact C-CD 3.43Å; L189-P191 VanDerWaalsContact C-N 3.31Å
192L98.8Very high97.9Very high0 Ų032.7 Ų32.70%019%0.189CC..Hα-helixtrans-71.4-44.7175.5-178.666000111.1L189 T190 Q194 T195 L261 L277 H280 L282L189-L192 HydrophobicContact CD2-CD2 4.45Å; L189-L192 WeakPolarHBondContact O-CA 3.29Å; L189-L192 WeakPolarHBondContact O-CB 3.46Å; L189-L192 PolarHBondContact O-N 3.06Å; T190-L192 VanDerWaalsContact C-N 3.3Å; T190-L192 PolarHBondContact O-N 2.93Å; L192-Q194 VanDerWaalsContact C-N 3.26Å; L192-Q194 PolarHBondContact O-N 3.13Å; L192-T195 WeakPolarHBondContact O-CB 3.42Å; L192-T195 PolarHBondContact O-N 3.43Å; L192-T195 PolarHBondContact O-OG1 2.84Å; L192-L261 HydrophobicContact CD2-CD1 4.08Å; L192-L277 HydrophobicContact CD1-CD2 3.81Å; L192-L277 HydrophobicContact CD2-CD2 4.22Å; L192-L277 HydrophobicContact CG-CD2 4.04Å; L192-H280 HydrophobicContact CD1-CB 3.72Å; L192-L282 HydrophobicContact CB-CB 4.27Å; L192-L282 HydrophobicContact CB-CD1 4.45Å; L192-L282 HydrophobicContact CD2-CB 4.09Å
193I98.8Very high97.9Very high0 Ų033.8 Ų33.80%019%0.193CC..Hα-helixtrans-63.3-35.3-179-63.6164.4000111A71 V72 W145 L189 T190 T195 L196 R197 L205 L261A71-I193 HydrophobicContact CB-CD1 3.55Å; A71-I193 WeakPolarHBondContact O-CG2 3.23Å; V72-I193 HydrophobicContact CG1-CD1 3.93Å; W145-I193 HydrophobicContact CH2-CG2 3.95Å; W145-I193 HydrophobicContact CZ3-CG2 3.73Å; L189-I193 HydrophobicContact CB-CD1 3.92Å; L189-I193 HydrophobicContact CB-CG1 4.32Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 3.45Å; T190-I193 PolarHBondContact O-N 3.33Å; I193-T195 PolarHBondContact O-N 3.41Å; I193-L196 WeakPolarHBondContact O-CB 3.45Å; I193-L196 PolarHBondContact O-N 2.93Å; I193-R197 PolarHBondContact O-N 2.84Å; I193-L205 HydrophobicContact CB-CD2 4.44Å; I193-L205 HydrophobicContact CD1-CD2 4.41Å; I193-L205 HydrophobicContact CG1-CD2 3.95Å; I193-L205 HydrophobicContact CG2-CD2 3.8Å; I193-L261 HydrophobicContact CD1-CD1 4.42Å; I193-L261 HydrophobicContact CD1-CD2 4.18Å; I193-L261 HydrophobicContact CG1-CD1 3.68Å; I193-L261 HydrophobicContact CG1-CD2 4.33Å
194Q98.3Very high97.9Very high51 Ų5130.1 Ų30.124%0.23817%0.171CC..THydrogen-bonded Turntrans-64.5-20.4176.5-67.4-53.3-67.500113T190 L192 L196 R197T190-Q194 HydrophobicContact CG2-CG 4.31Å; T190-Q194 WeakPolarHBondContact O-CG 3.33Å; T190-Q194 PolarHBondContact O-N 3.25Å; L192-Q194 VanDerWaalsContact C-N 3.26Å; L192-Q194 PolarHBondContact O-N 3.13Å; Q194-L196 PolarHBondContact O-N 2.89Å; Q194-R197 VanDerWaalsContact OE1-CD 3.28Å; Q194-R197 VanDerWaalsContact OE1-NH1 3.13Å
195T98.4Very high97.9Very high42 Ų4230.2 Ų30.226%0.25817%0.171SC..THydrogen-bonded Turntrans-70.6-20.2172.578.20000112.7L192 I193 I199 H280L192-T195 WeakPolarHBondContact O-CB 3.42Å; L192-T195 PolarHBondContact O-N 3.43Å; L192-T195 PolarHBondContact O-OG1 2.84Å; I193-T195 PolarHBondContact O-N 3.41Å; T195-I199 WeakPolarHBondContact O-CD1 2.91Å; T195-H280 HydrophobicContact CG2-CB 4.32Å
196L98.4Very high97.9Very high0 Ų033.5 Ų33.50%018%0.181CC..THydrogen-bonded Turntrans-91.3-21.6-177.9-54-176.6000113W145 I193 Q194 D198 I199 V202 L205 I263 V273 A276 L277W145-L196 HydrophobicContact CH2-CB 4.34Å; W145-L196 HydrophobicContact CZ2-CB 4.42Å; I193-L196 WeakPolarHBondContact O-CB 3.45Å; I193-L196 PolarHBondContact O-N 2.93Å; Q194-L196 PolarHBondContact O-N 2.89Å; L196-D198 VanDerWaalsContact C-N 3.28Å; L196-D198 PolarHBondContact O-N 3.28Å; L196-I199 HydrophobicContact CD2-CD1 4.48Å; L196-I199 PolarHBondContact O-N 3.27Å; L196-I199 VanDerWaalsContact O-N 3.11Å; L196-V202 HydrophobicContact CB-CG2 4.31Å; L196-L205 HydrophobicContact CD1-CD1 3.81Å; L196-L205 HydrophobicContact CD1-CD2 4.22Å; L196-I263 HydrophobicContact CD1-CD1 4.13Å; L196-V273 HydrophobicContact CD2-CG1 3.95Å; L196-A276 HydrophobicContact CD2-CB 4.48Å; L196-L277 HydrophobicContact CD1-CD2 4.26Å; L196-L277 HydrophobicContact CD2-CD2 3.94Å; L196-L277 HydrophobicContact CD2-CG 4.2Å; L196-L277 HydrophobicContact CG-CD2 4.45Å
197R95.4Very high97.8Very high69 Ų6933.8 Ų33.826%0.2618%0.183SC..THydrogen-bonded Turntrans-55.9-39.4-169.8175.3163.6177.3-177.3-0.8113.9I143 I193 Q194I143-R197 HydrophobicContact CD1-CG 3.66Å; I193-R197 PolarHBondContact O-N 2.84Å; Q194-R197 VanDerWaalsContact OE1-CD 3.28Å; Q194-R197 VanDerWaalsContact OE1-NH1 3.13Å
198D93Very high97.8Very high134 Ų13433 Ų3372%0.71718%0.176SC*.THydrogen-bonded Turntrans-97.15.4-175.6-62.5-33.9000113.1L196 P200L196-D198 VanDerWaalsContact C-N 3.28Å; L196-D198 PolarHBondContact O-N 3.28Å; D198-P200 WeakPolarHBondContact O-CD 3.47Å
199I95.9Very high97.6Very high19 Ų1933.1 Ų33.110%0.09718%0.177CC..  trans-93.1114.2-179.4-58178.1000109.6T195 L196 G201 Q272 V273 A276T195-I199 WeakPolarHBondContact O-CD1 2.91Å; L196-I199 HydrophobicContact CD2-CD1 4.48Å; L196-I199 PolarHBondContact O-N 3.27Å; L196-I199 VanDerWaalsContact O-N 3.11Å; I199-G201 PolarHBondContact O-N 3.21Å; I199-Q272 HydrophobicContact CD1-CG 4.47Å; I199-Q272 HydrophobicContact CG2-CG 4.09Å; I199-V273 HydrophobicContact CG2-CG2 3.77Å; I199-A276 HydrophobicContact CD1-CB 3.36Å
200P95.1Very high97.3Very high102 Ų10242.4 Ų42.466%0.66221%0.212SC*.THydrogen-bonded Turntrans-60.8138168.9-18.432.2000110.1D198 A269D198-P200 WeakPolarHBondContact O-CD 3.47Å; P200-A269 WeakPolarHBondContact O-CB 3.44Å
201G97.1Very high97.1Very high10 Ų1042 Ų4210%0.10321%0.211CC..THydrogen-bonded Turntrans104.9-8.1175.700000115I199 K203 V265 E266I199-G201 PolarHBondContact O-N 3.21Å; G201-K203 PolarHBondContact O-N 2.96Å; G201-V265 CarbonylContact O-C 3.59Å; G201-V265 WeakPolarHBondContact O-CA 3.14Å; G201-V265 WeakPolarHBondContact O-CB 3.47Å; G201-E266 PolarHBondContact O-N 3.2Å
202V98.6Very high97.1Very high12 Ų1238.7 Ų38.77%0.07319%0.19CC..EExtended strand (participates in β ladder)trans-72.6119.8164.6-178.50000108.9W145 L196 L205 I263 V265 V273W145-V202 HydrophobicContact CD2-CG1 4.33Å; W145-V202 HydrophobicContact CG-CG1 4.5Å; W145-V202 HydrophobicContact CZ2-CB 4.47Å; W145-V202 HydrophobicContact CZ2-CG1 4.17Å; W145-V202 PolarHBondContact NE1-O 3.45Å; L196-V202 HydrophobicContact CB-CG2 4.31Å; V202-L205 HydrophobicContact CG1-CD1 4.34Å; V202-I263 HydrophobicContact CG1-CG2 4.22Å; V202-V265 HydrophobicContact CG2-CG1 4.26Å; V202-V273 HydrophobicContact CG2-CG2 3.72Å
203K98.6Very high97.1Very high30 Ų3038.8 Ų38.813%0.1319%0.19CC..EExtended strand (participates in β ladder)trans-108.8-37.6-172.9-64.2-175.470.8179.50113.5W145 G146 T149 L150 T151 D154 G201 A264 E266W145-K203 CarbonylContact C-O 3.56Å; W145-K203 VanDerWaalsContact CA-O 3.25Å; W145-K203 WeakPolarHBondContact CA-O 3.48Å; G146-K203 PolarHBondContact N-O 3.28Å; T149-K203 WeakPolarHBondContact O-CE 3.5Å; T149-K203 PolarHBondContact O-NZ 3.13Å; T149-K203 PolarHBondContact OG1-O 3.4Å; L150-K203 HydrophobicContact CD2-CB 3.67Å; L150-K203 HydrophobicContact CD2-CD 4.4Å; T151-K203 PolarHBondContact OG1-NZ 2.93Å; D154-K203 IonicContact OD1-NZ 3.38Å; D154-K203 PolarHBondContact OD1-NZ 3.07Å; D154-K203 WeakPolarHBondContact OD2-CD 3.44Å; D154-K203 WeakPolarHBondContact OD2-CE 3.34Å; D154-K203 IonicContact OD2-NZ 2.71Å; D154-K203 PolarHBondContact OD2-NZ 3.08Å; G201-K203 PolarHBondContact O-N 2.96Å; K203-A264 PolarHBondContact N-O 3.45Å; K203-E266 HydrophobicContact CD-CG 3.85Å; K203-E266 HydrophobicContact CG-CG 4.2Å
204A98.7Very high97.1Very high1 Ų138.8 Ų38.81%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-147.4147.2176.200000111.1A147 L150 F220 A264A147-A204 HydrophobicContact CB-CB 4.39Å; L150-A204 HydrophobicContact CD1-CB 4.4Å; L150-A204 HydrophobicContact CD2-CB 4.03Å; L150-A204 HydrophobicContact CG-CB 4.4Å; A204-F220 HydrophobicContact CB-CE1 4.43Å; A204-F220 HydrophobicContact CB-CE2 4.34Å; A204-F220 HydrophobicContact CB-CZ 4.03Å; A204-A264 HydrophobicContact CB-CB 4.24Å; A204-A264 PolarHBondContact N-O 2.94Å; A204-A264 VanDerWaalsContact N-O 3.14Å; A204-A264 PolarHBondContact O-N 3.2Å
205L98.4Very high97.1Very high11 Ų1137.1 Ų37.16%0.05819%0.185CC..EExtended strand (participates in β ladder)trans-140.5133.5-179.6-146.275.4000108.6V72 W145 I193 L196 V202 L261 I263V72-L205 HydrophobicContact CB-CB 4.44Å; V72-L205 HydrophobicContact CB-CD2 4.43Å; V72-L205 HydrophobicContact CG1-CD2 4.42Å; W145-L205 HydrophobicContact CE3-CB 4.22Å; W145-L205 HydrophobicContact CE3-CD2 4.22Å; W145-L205 HydrophobicContact CH2-CD2 4.5Å; W145-L205 HydrophobicContact CZ3-CD2 3.86Å; I193-L205 HydrophobicContact CB-CD2 4.44Å; I193-L205 HydrophobicContact CD1-CD2 4.41Å; I193-L205 HydrophobicContact CG1-CD2 3.95Å; I193-L205 HydrophobicContact CG2-CD2 3.8Å; L196-L205 HydrophobicContact CD1-CD1 3.81Å; L196-L205 HydrophobicContact CD1-CD2 4.22Å; V202-L205 HydrophobicContact CG1-CD1 4.34Å; L205-L261 HydrophobicContact CD2-CD1 4.25Å; L205-I263 HydrophobicContact CD1-CB 3.79Å; L205-I263 HydrophobicContact CD1-CD1 4.16Å; L205-I263 HydrophobicContact CD1-CG1 3.52Å; L205-I263 HydrophobicContact CD1-CG2 3.4Å; L205-I263 VanDerWaalsContact CD1-CG2 3.4Å
206R98.7Very high97.1Very high95 Ų9535.3 Ų35.336%0.35817%0.174SC..EExtended strand (participates in β ladder)trans-145.7150.9168.5-76.5-165.371.8167.7-1109.6V216 E219 F220 L261 V262R206-V216 HydrophobicContact CB-CG1 3.87Å; R206-V216 HydrophobicContact CB-CG2 4.48Å; R206-E219 IonicContact CZ-OE1 2.61Å; R206-E219 IonicContact CZ-OE2 3.89Å; R206-E219 IonicContact NE-OE2 2.66Å; R206-E219 IonicContact NH1-OE1 3.55Å; R206-E219 PolarHBondContact NH1-OE1 3.1Å; R206-E219 IonicContact NH1-OE2 3.6Å; R206-E219 PolarHBondContact NH1-OE2 3.43Å; R206-E219 IonicContact NH2-OE1 3.61Å; R206-E219 IonicContact NH2-OE2 3.13Å; R206-F220 HydrophobicContact CB-CE1 4.2Å; R206-F220 HydrophobicContact CB-CZ 4.32Å; R206-F220 HydrophobicContact CG-CE1 3.8Å; R206-F220 HydrophobicContact CG-CZ 4.29Å; R206-L261 CarbonylContact O-C 3.35Å; R206-L261 WeakPolarHBondContact O-CA 3.21Å; R206-V262 PolarHBondContact N-O 2.69Å; R206-V262 VanDerWaalsContact N-O 3.11Å; R206-V262 PolarHBondContact O-N 2.91Å
207D98.5Very high97.1Very high8 Ų835.3 Ų35.34%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-78.9164.8163.659.6-1.8000110.8V72 V216 K260V72-D207 HydrophobicContact CG1-CB 4.47Å; D207-V216 VanDerWaalsContact O-CG2 3.28Å; D207-V216 WeakPolarHBondContact O-CG2 3.34Å; D207-K260 VanDerWaalsContact CA-O 3.3Å; D207-K260 WeakPolarHBondContact CA-O 3.47Å
208A97.8Very high97.3Very high0 Ų034.1 Ų34.10%017%0.172CC..  trans-121.856-171.200000112.1V213 V216 N257 K260 V262A208-V213 HydrophobicContact CB-CG2 4.05Å; A208-V216 HydrophobicContact CB-CG2 4.25Å; A208-N257 CarbonylContact C-O 3.45Å; A208-N257 HydrophobicContact CB-CB 4.44Å; A208-N257 VanDerWaalsContact O-CB 3.31Å; A208-N257 WeakPolarHBondContact O-CB 3.42Å; A208-N257 PolarHBondContact O-N 3.02Å; A208-N257 PolarHBondContact O-ND2 3.16Å; A208-K260 PolarHBondContact N-O 2.93Å; A208-V262 HydrophobicContact CB-CG2 4.12Å
209T95.6Very high97.6Very high26 Ų2631.4 Ų31.416%0.1616%0.155CC..  trans-73.5-111.9178.959.50000111.1G211 G212 A256 N257T209-G211 PolarHBondContact O-N 3.44Å; T209-G212 PolarHBondContact O-N 2.7Å; T209-A256 WeakPolarHBondContact O-CA 3.42Å; T209-A256 WeakPolarHBondContact O-CB 3.14Å; T209-N257 WeakPolarHBondContact CA-O 3.42Å; T209-N257 WeakPolarHBondContact CG2-O 3.35Å
210R92.6Very high97.7Very high195 Ų19530.6 Ų30.674%0.73615%0.15SC*.THydrogen-bonded Turntrans-62.1129.1-176.4-166.4-17475.6144.82.7111.7G212 E316R210-G212 PolarHBondContact O-N 2.61Å; R210-E316 VanDerWaalsContact CG-CD 3.46Å; R210-E316 HydrophobicContact CG-CG 3.89Å; R210-E316 WeakPolarHBondContact CG-OE2 3.4Å
211G94.8Very high97.9Very high8 Ų826.2 Ų26.28%0.08212%0.123CC..THydrogen-bonded Turntrans76.6-0.3-17600000115T209 A215 E316T209-G211 PolarHBondContact O-N 3.44Å; G211-A215 PolarHBondContact O-N 2.75Å; G211-A215 VanDerWaalsContact O-N 3.15Å; G211-E316 VanDerWaalsContact CA-OE1 3.26Å; G211-E316 WeakPolarHBondContact CA-OE1 3.43Å; G211-E316 PolarHBondContact N-OE1 2.83Å; G211-E316 PolarHBondContact N-OE2 2.7Å; G211-E316 VanDerWaalsContact N-OE2 3.11Å
212G97.7Very high97.9Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans62.2-156.3172.100000114.8T209 R210 N214 A215 V216 L253 F255T209-G212 PolarHBondContact O-N 2.7Å; R210-G212 PolarHBondContact O-N 2.61Å; G212-N214 PolarHBondContact O-N 3.49Å; G212-A215 PolarHBondContact O-N 3.08Å; G212-V216 PolarHBondContact O-N 2.91Å; G212-L253 CarbonylContact C-O 3.58Å; G212-L253 WeakPolarHBondContact CA-O 3.43Å; G212-F255 WeakPolarHBondContact CA-O 3.27Å
213V98.7Very high97.9Very high1 Ų131.6 Ų31.61%0.00617%0.168CC..Hα-helixtrans-63-32.1177.9175.80000111.1V158 L162 A208 A215 V216 V217 L253 V262 I289V158-V213 HydrophobicContact CG1-CG1 4.46Å; V158-V213 HydrophobicContact CG1-CG2 4.19Å; L162-V213 HydrophobicContact CD1-CG2 4.03Å; L162-V213 HydrophobicContact CD2-CG2 3.67Å; L162-V213 HydrophobicContact CG-CG2 4.43Å; A208-V213 HydrophobicContact CB-CG2 4.05Å; V213-A215 PolarHBondContact O-N 3.23Å; V213-V216 PolarHBondContact O-N 2.96Å; V213-V217 HydrophobicContact CG1-CG1 4.14Å; V213-V217 WeakPolarHBondContact O-CG2 3.28Å; V213-V217 PolarHBondContact O-N 3.41Å; V213-L253 HydrophobicContact CB-CD2 3.96Å; V213-L253 HydrophobicContact CG1-CD2 3.94Å; V213-L253 PolarHBondContact N-O 3.1Å; V213-V262 HydrophobicContact CB-CG2 4.32Å; V213-V262 HydrophobicContact CG1-CG2 4.03Å; V213-V262 HydrophobicContact CG2-CG2 3.93Å; V213-I289 HydrophobicContact CG1-CD1 4.09Å
214N98.7Very high97.9Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-60.4-45.4179.8-165.39000111.8G212 V217 H218 L253 N254 L310 D311 L312G212-N214 PolarHBondContact O-N 3.49Å; N214-V217 VanDerWaalsContact O-CG2 3.28Å; N214-V217 WeakPolarHBondContact O-CG2 3.5Å; N214-H218 PolarHBondContact O-N 3.46Å; N214-H218 PolarHBondContact O-ND1 2.83Å; N214-H218 PolarHBondContact OD1-CE1 3.27Å; N214-H218 PolarHBondContact OD1-ND1 3.18Å; N214-L253 HydrophobicContact CB-CB 4.19Å; N214-L253 WeakPolarHBondContact CB-O 3.46Å; N214-L253 PolarHBondContact N-O 2.81Å; N214-N254 WeakPolarHBondContact CB-OD1 3.37Å; N214-N254 PolarHBondContact ND2-OD1 3.21Å; N214-L310 VanDerWaalsContact OD1-CD2 3.28Å; N214-L310 WeakPolarHBondContact OD1-CD2 3.37Å; N214-L310 WeakPolarHBondContact OD1-CG 3.48Å; N214-D311 PolarHBondContact ND2-O 3.33Å; N214-L312 HydrophobicContact CB-CD2 4.41Å
215A98.4Very high97.9Very high17 Ų1733.2 Ų33.214%0.1419%0.188CC..Hα-helixtrans-59.5-48.4174.700000111.5G211 G212 V213 V217 H218 E219G211-A215 PolarHBondContact O-N 2.75Å; G211-A215 VanDerWaalsContact O-N 3.15Å; G212-A215 PolarHBondContact O-N 3.08Å; V213-A215 PolarHBondContact O-N 3.23Å; A215-V217 PolarHBondContact O-N 3.16Å; A215-H218 WeakPolarHBondContact O-CB 3.27Å; A215-H218 PolarHBondContact O-N 2.75Å; A215-H218 VanDerWaalsContact O-N 3.16Å; A215-E219 VanDerWaalsContact O-CG 3.27Å; A215-E219 WeakPolarHBondContact O-CG 3.45Å; A215-E219 PolarHBondContact O-N 3.44Å
216V98.7Very high97.9Very high4 Ų433.9 Ų33.92%0.02419%0.193CC..Hα-helixtrans-60.7-44.3-177.4179.90000112.4R206 D207 A208 G212 V213 H218 E219 F220 V262R206-V216 HydrophobicContact CB-CG1 3.87Å; R206-V216 HydrophobicContact CB-CG2 4.48Å; D207-V216 VanDerWaalsContact O-CG2 3.28Å; D207-V216 WeakPolarHBondContact O-CG2 3.34Å; A208-V216 HydrophobicContact CB-CG2 4.25Å; G212-V216 PolarHBondContact O-N 2.91Å; V213-V216 PolarHBondContact O-N 2.96Å; V216-H218 VanDerWaalsContact C-N 3.32Å; V216-H218 PolarHBondContact O-N 2.88Å; V216-E219 WeakPolarHBondContact CA-OE2 3.18Å; V216-E219 PolarHBondContact O-N 3.43Å; V216-F220 HydrophobicContact CG1-CD1 4.05Å; V216-F220 HydrophobicContact CG1-CE1 3.7Å; V216-F220 HydrophobicContact CG1-CE2 4.22Å; V216-F220 HydrophobicContact CG1-CG 4.48Å; V216-F220 HydrophobicContact CG1-CZ 3.78Å; V216-F220 WeakPolarHBondContact O-CB 3.43Å; V216-F220 WeakPolarHBondContact O-CD1 3.44Å; V216-F220 WeakPolarHBondContact O-CG 3.27Å; V216-F220 PolarHBondContact O-N 2.83Å; V216-V262 HydrophobicContact CB-CB 4.38Å; V216-V262 HydrophobicContact CB-CG2 4.03Å; V216-V262 HydrophobicContact CG1-CB 3.71Å; V216-V262 HydrophobicContact CG1-CG1 4Å; V216-V262 HydrophobicContact CG1-CG2 3.92Å; V216-V262 HydrophobicContact CG2-CG2 4.31Å
217V98.8Very high97.9Very high0 Ų029.3 Ų29.30%018%0.176CC..Hα-helixtrans-69.8-30.7179.4-61.30000112.4L156 V213 N214 A215 F220 A221 I228 L230 V298L156-V217 HydrophobicContact CD2-CG1 3.85Å; V213-V217 HydrophobicContact CG1-CG1 4.14Å; V213-V217 WeakPolarHBondContact O-CG2 3.28Å; V213-V217 PolarHBondContact O-N 3.41Å; N214-V217 VanDerWaalsContact O-CG2 3.28Å; N214-V217 WeakPolarHBondContact O-CG2 3.5Å; A215-V217 PolarHBondContact O-N 3.16Å; V217-F220 PolarHBondContact O-N 3.15Å; V217-A221 WeakPolarHBondContact O-CB 3.47Å; V217-A221 PolarHBondContact O-N 3.39Å; V217-I228 HydrophobicContact CB-CD1 4.25Å; V217-I228 HydrophobicContact CB-CG2 4.1Å; V217-I228 HydrophobicContact CG1-CG2 4.32Å; V217-I228 WeakPolarHBondContact O-CD1 3.36Å; V217-L230 HydrophobicContact CG1-CD1 4.34Å; V217-L230 HydrophobicContact CG1-CD2 4.35Å; V217-L230 HydrophobicContact CG2-CD1 4.28Å; V217-V298 HydrophobicContact CG2-CG1 3.73Å
218H98.8Very high97.9Very high44 Ų4429 Ų2920%0.20417%0.174CC..Hα-helixtrans-67-42.7172-82.983.8000111.8N214 A215 V216 F220 A221 A222 V298 L310 L312N214-H218 PolarHBondContact O-N 3.46Å; N214-H218 PolarHBondContact O-ND1 2.83Å; N214-H218 PolarHBondContact OD1-CE1 3.27Å; N214-H218 PolarHBondContact OD1-ND1 3.18Å; A215-H218 WeakPolarHBondContact O-CB 3.27Å; A215-H218 PolarHBondContact O-N 2.75Å; A215-H218 VanDerWaalsContact O-N 3.16Å; V216-H218 VanDerWaalsContact C-N 3.32Å; V216-H218 PolarHBondContact O-N 2.88Å; H218-F220 VanDerWaalsContact C-N 3.34Å; H218-A221 PolarHBondContact O-N 3.28Å; H218-A222 WeakPolarHBondContact O-CB 3.02Å; H218-A222 PolarHBondContact O-N 3.47Å; H218-V298 HydrophobicContact CB-CG2 4.5Å; H218-L310 PolarHBondContact CE1-O 3.39Å; H218-L310 PolarHBondContact NE2-O 2.89Å; H218-L310 VanDerWaalsContact NE2-O 3.11Å; H218-L312 HydrophobicContact CB-CD1 3.99Å; H218-L312 HydrophobicContact CB-CD2 4.28Å; H218-L312 HydrophobicContact CB-CG 4.3Å
219E98.6Very high98Very high77 Ų7730 Ų3036%0.3618%0.179SC..Hα-helixtrans-64.2-40.3175.2-65.8166.7133.100111.3R206 A215 V216 A222 A223R206-E219 IonicContact CZ-OE1 2.61Å; R206-E219 IonicContact CZ-OE2 3.89Å; R206-E219 IonicContact NE-OE2 2.66Å; R206-E219 IonicContact NH1-OE1 3.55Å; R206-E219 PolarHBondContact NH1-OE1 3.1Å; R206-E219 IonicContact NH1-OE2 3.6Å; R206-E219 PolarHBondContact NH1-OE2 3.43Å; R206-E219 IonicContact NH2-OE1 3.61Å; R206-E219 IonicContact NH2-OE2 3.13Å; A215-E219 VanDerWaalsContact O-CG 3.27Å; A215-E219 WeakPolarHBondContact O-CG 3.45Å; A215-E219 PolarHBondContact O-N 3.44Å; V216-E219 WeakPolarHBondContact CA-OE2 3.18Å; V216-E219 PolarHBondContact O-N 3.43Å; E219-A222 PolarHBondContact O-N 3.3Å; E219-A223 VanDerWaalsContact O-CB 3.32Å; E219-A223 WeakPolarHBondContact O-CB 3.22Å; E219-A223 PolarHBondContact O-N 3.43Å
220F98.8Very high98.1Very high1 Ų128.9 Ų28.90%0.00417%0.172CC..Hα-helixtrans-61.6-49.8174.8-78.411.6000111.6A147 L150 L156 A204 R206 V216 V217 H218 A222 A223 C224 I228 V262 A264A147-F220 HydrophobicContact CB-CD1 3.57Å; A147-F220 HydrophobicContact CB-CE1 3.98Å; A147-F220 HydrophobicContact CB-CG 4.17Å; L150-F220 HydrophobicContact CD1-CB 4.05Å; L150-F220 HydrophobicContact CD1-CD2 3.8Å; L150-F220 HydrophobicContact CD1-CE2 4.46Å; L150-F220 HydrophobicContact CD1-CG 4.01Å; L156-F220 HydrophobicContact CD2-CD2 4.15Å; A204-F220 HydrophobicContact CB-CE1 4.43Å; A204-F220 HydrophobicContact CB-CE2 4.34Å; A204-F220 HydrophobicContact CB-CZ 4.03Å; R206-F220 HydrophobicContact CB-CE1 4.2Å; R206-F220 HydrophobicContact CB-CZ 4.32Å; R206-F220 HydrophobicContact CG-CE1 3.8Å; R206-F220 HydrophobicContact CG-CZ 4.29Å; V216-F220 HydrophobicContact CG1-CD1 4.05Å; V216-F220 HydrophobicContact CG1-CE1 3.7Å; V216-F220 HydrophobicContact CG1-CE2 4.22Å; V216-F220 HydrophobicContact CG1-CG 4.48Å; V216-F220 HydrophobicContact CG1-CZ 3.78Å; V216-F220 WeakPolarHBondContact O-CB 3.43Å; V216-F220 WeakPolarHBondContact O-CD1 3.44Å; V216-F220 WeakPolarHBondContact O-CG 3.27Å; V216-F220 PolarHBondContact O-N 2.83Å; V217-F220 PolarHBondContact O-N 3.15Å; H218-F220 VanDerWaalsContact C-N 3.34Å; F220-A222 VanDerWaalsContact C-N 3.3Å; F220-A222 PolarHBondContact O-N 2.97Å; F220-A223 PolarHBondContact O-N 3.38Å; F220-C224 PolarHBondContact O-N 3.41Å; F220-C224 VanDerWaalsContact O-N 3.11Å; F220-C224 PolarHBondContact O-SG 3.47Å; F220-I228 HydrophobicContact CB-CD1 3.51Å; F220-V262 HydrophobicContact CE2-CG1 4.04Å; F220-A264 HydrophobicContact CD2-CB 4.29Å; F220-A264 HydrophobicContact CE2-CB 3.96Å
221A98.7Very high98.4Very high11 Ų1121.9 Ų21.99%0.09115%0.153CC..Hα-helixtrans-59.7-41.7178.400000111.7V217 H218 G225 I228 V298V217-A221 WeakPolarHBondContact O-CB 3.47Å; V217-A221 PolarHBondContact O-N 3.39Å; H218-A221 PolarHBondContact O-N 3.28Å; A221-G225 WeakPolarHBondContact O-CA 3.32Å; A221-G225 PolarHBondContact O-N 3.42Å; A221-I228 HydrophobicContact CB-CD1 4.19Å; A221-I228 HydrophobicContact CB-CG1 4.44Å; A221-V298 HydrophobicContact CB-CG2 3.92Å
222A98.5Very high98.6Very high83 Ų8326.2 Ų26.269%0.68617%0.171SC*.Hα-helixtrans-64.7-42176.800000112.5H218 E219 F220H218-A222 WeakPolarHBondContact O-CB 3.02Å; H218-A222 PolarHBondContact O-N 3.47Å; E219-A222 PolarHBondContact O-N 3.3Å; F220-A222 VanDerWaalsContact C-N 3.3Å; F220-A222 PolarHBondContact O-N 2.97Å
223A98.6Very high98.5Very high52 Ų5231 Ų3143%0.4321%0.211SC..Hα-helixtrans-69.8-39.9-176.600000113.7A147 E219 F220A147-A223 HydrophobicContact CB-CB 3.74Å; E219-A223 VanDerWaalsContact O-CB 3.32Å; E219-A223 WeakPolarHBondContact O-CB 3.22Å; E219-A223 PolarHBondContact O-N 3.43Å; F220-A223 PolarHBondContact O-N 3.38Å
224C98.4Very high98.5Very high26 Ų2632.6 Ų32.618%0.17622%0.224CC..Hα-helixtrans-91.4-15.2179.6640000114.4A147 L150 F220 C226A147-C224 WeakPolarHBondContact O-CB 3.44Å; L150-C224 HydrophobicContact CB-CB 3.8Å; L150-C224 WeakPolarHBondContact O-CB 3.13Å; F220-C224 PolarHBondContact O-N 3.41Å; F220-C224 VanDerWaalsContact O-N 3.11Å; F220-C224 PolarHBondContact O-SG 3.47Å; C224-C226 PolarHBondContact O-N 2.95Å; C224-C226 PolarHBondContact SG-N 2.96Å; C224-C226 VanDerWaalsContact SG-N 3.44Å
225G98.3Very high98.5Very high38 Ų3833.4 Ų33.439%0.39223%0.228SC..SBendtrans69.713.9-175.800000114.6A221 K296A221-G225 WeakPolarHBondContact O-CA 3.32Å; A221-G225 PolarHBondContact O-N 3.42Å; G225-K296 WeakPolarHBondContact O-CE 3.25Å; G225-K296 WeakPolarHBondContact O-CG 3.36Å
226C98.6Very high98.5Very high25 Ų2533.7 Ų33.717%0.16923%0.229CC..SBendtrans-99174.5171.5-65.60000110.6C224 V292 V293C224-C226 PolarHBondContact O-N 2.95Å; C224-C226 PolarHBondContact SG-N 2.96Å; C224-C226 VanDerWaalsContact SG-N 3.44Å; C226-V292 HydrophobicContact CB-CG1 3.55Å; C226-V293 WeakPolarHBondContact CB-O 3.21Å
227G98.8Very high98.5Very high0 Ų034.5 Ų34.50%023%0.234CC..EExtended strand (participates in β ladder)trans-93.7163.7168.500000112.5V292 V293 R295 G297G227-V292 CarbonylContact O-C 3.56Å; G227-V292 WeakPolarHBondContact O-CA 3.39Å; G227-V293 PolarHBondContact N-O 2.96Å; G227-V293 PolarHBondContact O-N 3.44Å; G227-R295 VanDerWaalsContact CA-O 3.28Å; G227-R295 WeakPolarHBondContact CA-O 3.37Å; G227-G297 VanDerWaalsContact CA-O 3.22Å; G227-G297 WeakPolarHBondContact CA-O 3.29Å
228I98.9Very high98.5Very high0 Ų038.6 Ų38.60%025%0.251CS..EExtended strand (participates in β ladder)trans-128.1133.9173-73.7169.3000108.7L156 V217 F220 A221 L230 E291 V292 G297 V298 R299L156-I228 HydrophobicContact CD1-CG1 4.25Å; L156-I228 HydrophobicContact CD1-CG2 3.92Å; L156-I228 HydrophobicContact CD2-CD1 4.09Å; L156-I228 HydrophobicContact CD2-CG2 4.08Å; V217-I228 HydrophobicContact CB-CD1 4.25Å; V217-I228 HydrophobicContact CB-CG2 4.1Å; V217-I228 HydrophobicContact CG1-CG2 4.32Å; V217-I228 WeakPolarHBondContact O-CD1 3.36Å; F220-I228 HydrophobicContact CB-CD1 3.51Å; A221-I228 HydrophobicContact CB-CD1 4.19Å; A221-I228 HydrophobicContact CB-CG1 4.44Å; I228-L230 HydrophobicContact CG2-CD2 3.92Å; I228-L230 HydrophobicContact CG2-CG 4.31Å; I228-E291 WeakPolarHBondContact CA-O 3.4Å; I228-V292 HydrophobicContact CG1-CG2 4.24Å; I228-G297 PolarHBondContact N-O 2.75Å; I228-G297 VanDerWaalsContact N-O 3.11Å; I228-V298 CarbonylContact O-C 3.46Å; I228-V298 VanDerWaalsContact O-CA 3.31Å; I228-V298 WeakPolarHBondContact O-CA 3.34Å; I228-R299 PolarHBondContact O-N 3.14Å
229E98.8Very high98.5Very high21 Ų2141.8 Ų41.810%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-122.3122.4176.9-59.8-173.2155.500109.6G290 E291 V293 R299 K307E229-G290 CarbonylContact O-C 3.53Å; E229-G290 WeakPolarHBondContact O-CA 3.27Å; E229-E291 PolarHBondContact N-O 3.09Å; E229-E291 PolarHBondContact O-N 3.21Å; E229-V293 HydrophobicContact CG-CG1 4.16Å; E229-V293 HydrophobicContact CG-CG2 3.76Å; E229-R299 WeakPolarHBondContact CA-O 3.43Å; E229-R299 HydrophobicContact CG-CB 4.32Å; E229-R299 IonicContact OE1-CZ 3.17Å; E229-R299 IonicContact OE1-NE 2.69Å; E229-R299 PolarHBondContact OE1-NE 2.93Å; E229-R299 IonicContact OE1-NH2 2.72Å; E229-R299 PolarHBondContact OE1-NH2 3.1Å; E229-K307 WeakPolarHBondContact OE1-CD 3.32Å; E229-K307 IonicContact OE1-NZ 3.14Å; E229-K307 WeakPolarHBondContact OE2-CD 3.02Å; E229-K307 WeakPolarHBondContact OE2-CE 3.4Å; E229-K307 IonicContact OE2-NZ 2.78Å; E229-K307 PolarHBondContact OE2-NZ 2.87Å
230L98.8Very high98.5Very high3 Ų338.8 Ų38.82%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-103.2152.6178.2-58.1-176000110.7V217 I228 L253 I289 R299 L300 A301 L310V217-L230 HydrophobicContact CG1-CD1 4.34Å; V217-L230 HydrophobicContact CG1-CD2 4.35Å; V217-L230 HydrophobicContact CG2-CD1 4.28Å; I228-L230 HydrophobicContact CG2-CD2 3.92Å; I228-L230 HydrophobicContact CG2-CG 4.31Å; L230-L253 HydrophobicContact CD1-CD2 4.24Å; L230-I289 CarbonylContact C-O 3.42Å; L230-I289 VanDerWaalsContact CA-O 3.32Å; L230-I289 WeakPolarHBondContact CA-O 3.39Å; L230-I289 HydrophobicContact CD2-CD1 3.95Å; L230-I289 HydrophobicContact CD2-CG1 4.21Å; L230-R299 PolarHBondContact N-O 3.3Å; L230-L300 HydrophobicContact CB-CD1 3.81Å; L230-A301 WeakPolarHBondContact O-CB 3.37Å; L230-A301 PolarHBondContact O-N 3.1Å; L230-L310 HydrophobicContact CD1-CD2 4.37Å
231S98.5Very high98.5Very high48 Ų4838.8 Ų38.834%0.33626%0.264SS..EExtended strand (participates in β ladder)trans-103.4116.8171.1-179.10000110.4A233 A234 I289S231-A233 VanDerWaalsContact C-N 3.29Å; S231-A233 PolarHBondContact O-N 3.28Å; S231-A234 PolarHBondContact O-N 2.89Å; S231-I289 PolarHBondContact N-O 3.15Å
232E97.8Very high98.4Very high100 Ų10045 Ų4547%0.46729%0.285SS..G310 helixtrans-58.5-41.5-179.5-171.8179.4-179.400111.9A234 L235 L300 A301 G302E232-A234 PolarHBondContact O-N 3.48Å; E232-L235 PolarHBondContact O-N 3.42Å; E232-L300 HydrophobicContact CB-CD1 3.96Å; E232-L300 HydrophobicContact CB-CD2 4.29Å; E232-L300 HydrophobicContact CB-CG 4.04Å; E232-L300 HydrophobicContact CG-CD2 4.25Å; E232-A301 WeakPolarHBondContact CB-O 3.28Å; E232-A301 PolarHBondContact N-O 3.47Å; E232-G302 WeakPolarHBondContact OE2-CA 3.17Å
233A97.3Very high98.4Very high101 Ų10142.3 Ų42.384%0.83527%0.266SS*.G310 helixtrans-69.6-18.6179.100000113.8S231S231-A233 VanDerWaalsContact C-N 3.29Å; S231-A233 PolarHBondContact O-N 3.28Å
234A98.4Very high98.4Very high34 Ų3439.9 Ų39.928%0.28125%0.246SC..G310 helixtrans-88.8-9.618000000113.2S231 E232 P236S231-A234 PolarHBondContact O-N 2.89Å; E232-A234 PolarHBondContact O-N 3.48Å; A234-P236 VanDerWaalsContact O-CD 3.29Å; A234-P236 WeakPolarHBondContact O-CD 3.49Å
235L98.7Very high98.3Very high16 Ų1639.8 Ų39.88%0.08425%0.245CC..  trans-69.7118.7-177.5-59.8176.6000110.8L162 E232 V237 L253 I289 L300L162-L235 HydrophobicContact CD1-CB 4.45Å; L162-L235 HydrophobicContact CD1-CD2 4.07Å; E232-L235 PolarHBondContact O-N 3.42Å; L235-V237 HydrophobicContact CB-CG2 4.25Å; L235-V237 PolarHBondContact O-N 3.19Å; L235-L253 HydrophobicContact CD1-CD1 3.87Å; L235-L253 HydrophobicContact CD1-CD2 3.91Å; L235-L253 HydrophobicContact CD1-CG 3.84Å; L235-L253 HydrophobicContact CD2-CD2 3.93Å; L235-I289 HydrophobicContact CD2-CB 4.05Å; L235-I289 HydrophobicContact CD2-CD1 4.33Å; L235-I289 HydrophobicContact CD2-CG2 4Å; L235-L300 HydrophobicContact CD1-CD1 4.46Å
236P98.7Very high98.3Very high23 Ų2346 Ų4615%0.14926%0.264CS..  trans-75.3109.5176.130.8-33.4000109.2V158 G160 T161 L162 A234 A287V158-P236 HydrophobicContact CG2-CG 3.64Å; G160-P236 VanDerWaalsContact O-CG 3.32Å; G160-P236 WeakPolarHBondContact O-CG 3.24Å; T161-P236 CarbonylContact C-O 3.44Å; T161-P236 WeakPolarHBondContact CA-O 3.42Å; T161-P236 HydrophobicContact CG2-CB 4.23Å; L162-P236 PolarHBondContact N-O 3.47Å; A234-P236 VanDerWaalsContact O-CD 3.29Å; A234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-A287 HydrophobicContact CG-CB 4.03Å
237V98.7Very high98.2Very high21 Ų2150 Ų5013%0.12728%0.283CS..  trans-132.6125.5179.1-172.50000108.8L162 L235 V241 R242 A252L162-V237 HydrophobicContact CB-CG2 4.48Å; L235-V237 HydrophobicContact CB-CG2 4.25Å; L235-V237 PolarHBondContact O-N 3.19Å; V237-V241 HydrophobicContact CG1-CB 3.78Å; V237-V241 HydrophobicContact CG1-CG1 3.63Å; V237-R242 HydrophobicContact CB-CG 4.02Å; V237-R242 HydrophobicContact CG1-CG 3.65Å; V237-R242 PolarHBondContact O-NE 3.1Å; V237-A252 HydrophobicContact CG1-CB 4.04Å; V237-A252 HydrophobicContact CG2-CB 4.08Å
238K98.6Very high98.1Very high86 Ų8652.4 Ų52.437%0.37430%0.296SS..  trans-65.6151.9-179.7-69.3-168.3-172.1136.70111.6T161 D164 A240 V241 R242T161-K238 HydrophobicContact CG2-CG 3.75Å; T161-K238 WeakPolarHBondContact OG1-CE 3.08Å; D164-K238 VanDerWaalsContact OD1-CD 3.28Å; D164-K238 WeakPolarHBondContact OD1-CD 3.32Å; D164-K238 WeakPolarHBondContact OD1-CE 3.42Å; D164-K238 IonicContact OD1-NZ 3.47Å; D164-K238 PolarHBondContact OD1-NZ 3.19Å; D164-K238 IonicContact OD2-NZ 3.49Å; K238-A240 VanDerWaalsContact C-N 3.34Å; K238-A240 PolarHBondContact O-N 3.39Å; K238-V241 HydrophobicContact CB-CG2 4.26Å; K238-V241 PolarHBondContact O-N 2.97Å; K238-V241 VanDerWaalsContact O-N 3.1Å; K238-R242 PolarHBondContact O-N 2.98Å
239P98.4Very high98Very high112 Ų11255.9 Ų55.973%0.72733%0.331SS*.Hα-helixtrans-52.5-45.4179.6-28.535.8000114.4V241 R242 G243P239-V241 PolarHBondContact O-N 3.29Å; P239-R242 WeakPolarHBondContact O-CB 3.05Å; P239-R242 PolarHBondContact O-N 2.69Å; P239-G243 PolarHBondContact O-N 3.05Å
240A98.1Very high97.8Very high13 Ų1358 Ų5811%0.10734%0.343CS..Hα-helixtrans-64.9-37.9179.200000112.7E181 L182 K238 G243 V244E181-A240 HydrophobicContact CB-CB 3.89Å; L182-A240 HydrophobicContact CD2-CB 3.71Å; L182-A240 HydrophobicContact CG-CB 3.99Å; K238-A240 VanDerWaalsContact C-N 3.34Å; K238-A240 PolarHBondContact O-N 3.39Å; A240-G243 WeakPolarHBondContact O-CA 3.12Å; A240-G243 PolarHBondContact O-N 2.98Å; A240-G243 VanDerWaalsContact O-N 3.15Å; A240-V244 PolarHBondContact O-N 3.48Å; A240-V244 VanDerWaalsContact O-N 3.08Å
241V98.6Very high97.7Very high1 Ų160.4 Ų60.41%0.00636%0.356CS..Hα-helixtrans-66.2-40.4174.8179.60000110.7A167 L182 V237 K238 P239 G243 V244 C245 A252 F255A167-V241 HydrophobicContact CB-CB 4.34Å; A167-V241 HydrophobicContact CB-CG1 4.05Å; A167-V241 HydrophobicContact CB-CG2 3.96Å; L182-V241 HydrophobicContact CD2-CG2 3.83Å; V237-V241 HydrophobicContact CG1-CB 3.78Å; V237-V241 HydrophobicContact CG1-CG1 3.63Å; K238-V241 HydrophobicContact CB-CG2 4.26Å; K238-V241 PolarHBondContact O-N 2.97Å; K238-V241 VanDerWaalsContact O-N 3.1Å; P239-V241 PolarHBondContact O-N 3.29Å; V241-G243 VanDerWaalsContact C-N 3.26Å; V241-G243 PolarHBondContact O-N 3.18Å; V241-V244 WeakPolarHBondContact O-CB 3.48Å; V241-V244 PolarHBondContact O-N 3.28Å; V241-V244 VanDerWaalsContact O-N 3.12Å; V241-C245 PolarHBondContact O-N 3.29Å; V241-C245 PolarHBondContact O-SG 3.44Å; V241-C245 VanDerWaalsContact O-SG 3.4Å; V241-A252 HydrophobicContact CG1-CB 4.25Å; V241-F255 HydrophobicContact CG1-CD2 4.23Å; V241-F255 HydrophobicContact CG1-CE2 4.38Å
242R98Very high97.7Very high142 Ų14258.3 Ų58.354%0.53634%0.342SS..Hα-helixtrans-59.6-39.4171.3-64.8-179.2-177.5179.9-3.4111.4V237 K238 P239 V244 C245 E246V237-R242 HydrophobicContact CB-CG 4.02Å; V237-R242 HydrophobicContact CG1-CG 3.65Å; V237-R242 PolarHBondContact O-NE 3.1Å; K238-R242 PolarHBondContact O-N 2.98Å; P239-R242 WeakPolarHBondContact O-CB 3.05Å; P239-R242 PolarHBondContact O-N 2.69Å; R242-V244 VanDerWaalsContact C-N 3.31Å; R242-V244 PolarHBondContact O-N 2.94Å; R242-C245 WeakPolarHBondContact O-CB 3.35Å; R242-C245 PolarHBondContact O-N 2.94Å; R242-C245 VanDerWaalsContact O-N 3.15Å; R242-E246 WeakPolarHBondContact O-CG 3.33Å; R242-E246 PolarHBondContact O-N 2.83Å
243G97.5Very high97.7Very high27 Ų2753.6 Ų53.628%0.27832%0.319SS..Hα-helixtrans-56.3-43.4172.900000112.7P239 A240 V241 E246 L247P239-G243 PolarHBondContact O-N 3.05Å; A240-G243 WeakPolarHBondContact O-CA 3.12Å; A240-G243 PolarHBondContact O-N 2.98Å; A240-G243 VanDerWaalsContact O-N 3.15Å; V241-G243 VanDerWaalsContact C-N 3.26Å; V241-G243 PolarHBondContact O-N 3.18Å; G243-E246 PolarHBondContact O-N 2.9Å; G243-L247 VanDerWaalsContact O-CG 3.32Å; G243-L247 WeakPolarHBondContact O-CG 3.49Å; G243-L247 PolarHBondContact O-N 3.34Å
244V98Very high97.8Very high0 Ų049.9 Ų49.90%029%0.286CS..Hα-helixtrans-63.4-43.9173.5176.90000111.6A167 L170 L176 L178 L182 A240 V241 R242 E246 L247 L248 F255A167-V244 HydrophobicContact CB-CB 4.27Å; A167-V244 HydrophobicContact CB-CG1 4.35Å; A167-V244 HydrophobicContact CB-CG2 4.07Å; L170-V244 HydrophobicContact CB-CG1 4.45Å; L170-V244 HydrophobicContact CD1-CG1 4.24Å; L176-V244 HydrophobicContact CD1-CG1 4.07Å; L176-V244 HydrophobicContact CD1-CG2 4.22Å; L178-V244 HydrophobicContact CD1-CG2 3.67Å; L182-V244 HydrophobicContact CD1-CG2 3.82Å; A240-V244 PolarHBondContact O-N 3.48Å; A240-V244 VanDerWaalsContact O-N 3.08Å; V241-V244 WeakPolarHBondContact O-CB 3.48Å; V241-V244 PolarHBondContact O-N 3.28Å; V241-V244 VanDerWaalsContact O-N 3.12Å; R242-V244 VanDerWaalsContact C-N 3.31Å; R242-V244 PolarHBondContact O-N 2.94Å; V244-E246 VanDerWaalsContact C-N 3.34Å; V244-E246 PolarHBondContact O-N 2.91Å; V244-L247 PolarHBondContact O-N 3.1Å; V244-L248 HydrophobicContact CG1-CD1 3.86Å; V244-L248 HydrophobicContact CG1-CG 4.44Å; V244-L248 PolarHBondContact O-N 3.35Å; V244-F255 HydrophobicContact CG1-CE2 3.96Å; V244-F255 HydrophobicContact CG1-CZ 4.03Å
245C97.6Very high97.7Very high25 Ų2548.3 Ų48.317%0.16927%0.273CS..Hα-helixtrans-58.2-44.2175.6-66.30000112.2V241 R242 G249 L250V241-C245 PolarHBondContact O-N 3.29Å; V241-C245 PolarHBondContact O-SG 3.44Å; V241-C245 VanDerWaalsContact O-SG 3.4Å; R242-C245 WeakPolarHBondContact O-CB 3.35Å; R242-C245 PolarHBondContact O-N 2.94Å; R242-C245 VanDerWaalsContact O-N 3.15Å; C245-G249 VanDerWaalsContact O-CA 3.29Å; C245-G249 WeakPolarHBondContact O-CA 3.42Å; C245-G249 PolarHBondContact O-N 2.75Å; C245-L250 WeakPolarHBondContact CA-O 3.29Å; C245-L250 WeakPolarHBondContact CB-O 3.43Å; C245-L250 PolarHBondContact O-N 2.91Å; C245-L250 PolarHBondContact SG-O 3.27Å
246E97.2Very high97.7Very high169 Ų16947.6 Ų47.679%0.7927%0.269SS*.Hα-helixtrans-65.5-40.9178.1-70.1-69.9164.100112.4R242 G243 V244R242-E246 WeakPolarHBondContact O-CG 3.33Å; R242-E246 PolarHBondContact O-N 2.83Å; G243-E246 PolarHBondContact O-N 2.9Å; V244-E246 VanDerWaalsContact C-N 3.34Å; V244-E246 PolarHBondContact O-N 2.91Å
247L97.2Very high97.7Very high108 Ų10846.5 Ų46.557%0.56526%0.262SS*.Hα-helixtrans-67.3-38.3179.6-74.2172000112.7L176 L178 G243 V244L176-L247 HydrophobicContact CB-CD1 4.31Å; L178-L247 HydrophobicContact CD1-CD1 4.24Å; G243-L247 VanDerWaalsContact O-CG 3.32Å; G243-L247 WeakPolarHBondContact O-CG 3.49Å; G243-L247 PolarHBondContact O-N 3.34Å; V244-L247 PolarHBondContact O-N 3.1Å
248L96.6Very high97.7Very high51 Ų5145.7 Ų45.727%0.26726%0.256SS..Hα-helixtrans-104.3-12.8-171.1-57.2-177.1000114.1L170 E174 L176 V244 L250L170-L248 HydrophobicContact CD1-CD1 4.22Å; L170-L248 HydrophobicContact CD2-CD1 4.45Å; E174-L248 VanDerWaalsContact OE2-CD2 3.23Å; E174-L248 WeakPolarHBondContact OE2-CD2 3.16Å; L176-L248 HydrophobicContact CD1-CD1 4.06Å; L176-L248 HydrophobicContact CD1-CG 4.37Å; L176-L248 HydrophobicContact CD2-CD2 4.05Å; V244-L248 HydrophobicContact CG1-CD1 3.86Å; V244-L248 HydrophobicContact CG1-CG 4.44Å; V244-L248 PolarHBondContact O-N 3.35Å; L248-L250 HydrophobicContact CB-CB 4.3Å; L248-L250 HydrophobicContact CB-CD1 3.89Å; L248-L250 HydrophobicContact CB-CG 3.73Å; L248-L250 HydrophobicContact CD1-CD1 3.94Å; L248-L250 PolarHBondContact O-N 2.9Å
249G96Very high97.7Very high72 Ų7241.8 Ų41.874%0.74224%0.241SC*.THydrogen-bonded Turntrans64.825.8-171.400000113.1C245C245-G249 VanDerWaalsContact O-CA 3.29Å; C245-G249 WeakPolarHBondContact O-CA 3.42Å; C245-G249 PolarHBondContact O-N 2.75Å
250L96Very high97.7Very high65 Ų6537.2 Ų37.234%0.3421%0.21SC..  trans-102.8154.7-179.3-59.6-179.7000111.4L170 C245 L248 F255 P317L170-L250 HydrophobicContact CD1-CD1 4.48Å; C245-L250 WeakPolarHBondContact CA-O 3.29Å; C245-L250 WeakPolarHBondContact CB-O 3.43Å; C245-L250 PolarHBondContact O-N 2.91Å; C245-L250 PolarHBondContact SG-O 3.27Å; L248-L250 HydrophobicContact CB-CB 4.3Å; L248-L250 HydrophobicContact CB-CD1 3.89Å; L248-L250 HydrophobicContact CB-CG 3.73Å; L248-L250 HydrophobicContact CD1-CD1 3.94Å; L248-L250 PolarHBondContact O-N 2.9Å; L250-F255 HydrophobicContact CB-CE1 3.63Å; L250-F255 HydrophobicContact CB-CZ 3.79Å; L250-F255 HydrophobicContact CD1-CE1 3.97Å; L250-F255 HydrophobicContact CD1-CZ 4.36Å; L250-F255 HydrophobicContact CG-CE1 4.48Å; L250-P317 HydrophobicContact CD1-CB 3.92Å; L250-P317 HydrophobicContact CD1-CG 4.47Å
251D96.1Very high97.8Very high54 Ų5436.7 Ų36.729%0.28921%0.205SC..  trans-97.5130.3-177.4-166.7-22000111.7L253 N254D251-L253 PolarHBondContact O-N 2.85Å; D251-L253 WeakPolarHBondContact OD1-CB 3.31Å; D251-L253 PolarHBondContact OD1-N 2.76Å; D251-N254 WeakPolarHBondContact O-CB 3.01Å; D251-N254 PolarHBondContact O-N 2.88Å
252A98.2Very high97.8Very high5 Ų536.6 Ų36.64%0.04121%0.205CC..G310 helixtrans-60.1-24.6174.700000112.9L162 V237 V241 N254 F255L162-A252 HydrophobicContact CB-CB 4.5Å; V237-A252 HydrophobicContact CG1-CB 4.04Å; V237-A252 HydrophobicContact CG2-CB 4.08Å; V241-A252 HydrophobicContact CG1-CB 4.25Å; A252-N254 PolarHBondContact O-N 3.02Å; A252-F255 HydrophobicContact CB-CD2 4.49Å; A252-F255 PolarHBondContact O-N 2.86Å
253L98.4Very high97.8Very high0 Ų029.9 Ų29.90%018%0.179CC..G310 helixtrans-60.8-26.5172.3-73.6171.3000112.9L162 G212 V213 N214 L230 L235 D251 L300 L310L162-L253 HydrophobicContact CD1-CD2 3.96Å; G212-L253 CarbonylContact C-O 3.58Å; G212-L253 WeakPolarHBondContact CA-O 3.43Å; V213-L253 HydrophobicContact CB-CD2 3.96Å; V213-L253 HydrophobicContact CG1-CD2 3.94Å; V213-L253 PolarHBondContact N-O 3.1Å; N214-L253 HydrophobicContact CB-CB 4.19Å; N214-L253 WeakPolarHBondContact CB-O 3.46Å; N214-L253 PolarHBondContact N-O 2.81Å; L230-L253 HydrophobicContact CD1-CD2 4.24Å; L235-L253 HydrophobicContact CD1-CD1 3.87Å; L235-L253 HydrophobicContact CD1-CD2 3.91Å; L235-L253 HydrophobicContact CD1-CG 3.84Å; L235-L253 HydrophobicContact CD2-CD2 3.93Å; D251-L253 PolarHBondContact O-N 2.85Å; D251-L253 WeakPolarHBondContact OD1-CB 3.31Å; D251-L253 PolarHBondContact OD1-N 2.76Å; L253-L300 HydrophobicContact CD1-CD1 4.32Å; L253-L300 HydrophobicContact CD1-CD2 4.34Å; L253-L310 HydrophobicContact CD1-CD1 4.41Å; L253-L310 HydrophobicContact CD1-CD2 3.91Å
254N98.1Very high97.9Very high24 Ų2428.6 Ų28.613%0.12817%0.166CC..G310 helixtrans-95.2-6.6179.5-62.6-37.3000112.9N214 D251 A252 P313N214-N254 WeakPolarHBondContact CB-OD1 3.37Å; N214-N254 PolarHBondContact ND2-OD1 3.21Å; D251-N254 WeakPolarHBondContact O-CB 3.01Å; D251-N254 PolarHBondContact O-N 2.88Å; A252-N254 PolarHBondContact O-N 3.02Å; N254-P313 HydrophobicContact CB-CG 4.33Å; N254-P313 WeakPolarHBondContact OD1-CD 3.48Å
255F98.1Very high97.9Very high1 Ų128.6 Ų28.60%0.00417%0.166CC..SBendtrans-80.4138.3179.6-70.5-3.4000110.6G163 A167 L170 G212 V241 V244 L250 A252 N257 P317G163-F255 VanDerWaalsContact CA-CB 3.41Å; A167-F255 HydrophobicContact CB-CD2 4.17Å; A167-F255 HydrophobicContact CB-CE2 4.21Å; L170-F255 HydrophobicContact CD1-CD1 4.22Å; L170-F255 HydrophobicContact CD1-CE1 3.64Å; L170-F255 HydrophobicContact CD1-CE2 4.19Å; L170-F255 HydrophobicContact CD1-CZ 3.63Å; G212-F255 WeakPolarHBondContact CA-O 3.27Å; V241-F255 HydrophobicContact CG1-CD2 4.23Å; V241-F255 HydrophobicContact CG1-CE2 4.38Å; V244-F255 HydrophobicContact CG1-CE2 3.96Å; V244-F255 HydrophobicContact CG1-CZ 4.03Å; L250-F255 HydrophobicContact CB-CE1 3.63Å; L250-F255 HydrophobicContact CB-CZ 3.79Å; L250-F255 HydrophobicContact CD1-CE1 3.97Å; L250-F255 HydrophobicContact CD1-CZ 4.36Å; L250-F255 HydrophobicContact CG-CE1 4.48Å; A252-F255 HydrophobicContact CB-CD2 4.49Å; A252-F255 PolarHBondContact O-N 2.86Å; F255-N257 PolarHBondContact O-ND2 3.28Å; F255-P317 HydrophobicContact CD1-CG 3.84Å; F255-P317 HydrophobicContact CE1-CB 4.45Å; F255-P317 HydrophobicContact CE1-CG 3.98Å
256A97.8Very high98Very high0 Ų031.5 Ų31.50%018%0.177CC..  trans-66145.5176.900000112.5G166 T209 I321G166-A256 PolarHBondContact N-O 3.06Å; T209-A256 WeakPolarHBondContact O-CA 3.42Å; T209-A256 WeakPolarHBondContact O-CB 3.14Å; A256-I321 HydrophobicContact CB-CG2 3.89Å
257N98.7Very high98.1Very high0 Ų029.6 Ų29.60%016%0.163CC..  trans-127.5136176.9-50.1-92.4000108.9G163 A208 T209 F255 K260G163-N257 PolarHBondContact N-OD1 3.03Å; A208-N257 CarbonylContact C-O 3.45Å; A208-N257 HydrophobicContact CB-CB 4.44Å; A208-N257 VanDerWaalsContact O-CB 3.31Å; A208-N257 WeakPolarHBondContact O-CB 3.42Å; A208-N257 PolarHBondContact O-N 3.02Å; A208-N257 PolarHBondContact O-ND2 3.16Å; T209-N257 WeakPolarHBondContact CA-O 3.42Å; T209-N257 WeakPolarHBondContact CG2-O 3.35Å; F255-N257 PolarHBondContact O-ND2 3.28Å; N257-K260 HydrophobicContact CB-CB 3.79Å; N257-K260 HydrophobicContact CB-CG 3.68Å
258E98.7Very high98.1Very high4 Ų430.8 Ų30.82%0.01917%0.17CC..SBendtrans-113.813.1-177.9-67.4-65.5168.500112.3L61 H165 D185 C186 A187 C322L61-E258 HydrophobicContact CD1-CB 3.93Å; L61-E258 HydrophobicContact CD1-CG 3.42Å; L61-E258 VanDerWaalsContact CD1-CG 3.42Å; L61-E258 VanDerWaalsContact CD1-OE2 3.27Å; L61-E258 WeakPolarHBondContact CD1-OE2 3.33Å; H165-E258 HydrophobicContact CB-CB 4.4Å; H165-E258 HydrophobicContact CB-CG 4.15Å; D185-E258 PolarHBondContact OD1-N 2.68Å; C186-E258 WeakPolarHBondContact CA-O 3.28Å; C186-E258 HydrophobicContact CB-CB 3.88Å; A187-E258 PolarHBondContact N-O 3.28Å; E258-C322 PolarHBondContact OE1-SG 3.05Å
259G98.7Very high98.2Very high5 Ų528.6 Ų28.65%0.05216%0.159CC..SBendtrans-15933.8-179.900000113.3D185 L189D185-G259 WeakPolarHBondContact O-CA 3.42Å; D185-G259 PolarHBondContact OD2-N 3.5Å; L189-G259 WeakPolarHBondContact CD2-O 3.47Å
260K98.9Very high98.3Very high16 Ų1625.5 Ų25.57%0.0713%0.126CC..  trans-132.7146.1-179.2-53.3-67.7158.844.80112.3S159 T161 D164 D185 D207 A208 N257S159-K260 WeakPolarHBondContact OG-CA 3.39Å; T161-K260 VanDerWaalsContact O-CD 3.3Å; T161-K260 WeakPolarHBondContact O-CD 3.49Å; T161-K260 WeakPolarHBondContact O-CE 3.39Å; T161-K260 PolarHBondContact O-NZ 3.48Å; D164-K260 IonicContact OD2-NZ 3.96Å; D164-K260 PolarHBondContact OD2-NZ 3.07Å; D185-K260 VanDerWaalsContact OD2-CE 3.27Å; D185-K260 WeakPolarHBondContact OD2-CE 3.38Å; D185-K260 WeakPolarHBondContact OD2-CG 3.49Å; D185-K260 IonicContact OD2-NZ 2.91Å; D185-K260 PolarHBondContact OD2-NZ 3.42Å; D207-K260 VanDerWaalsContact CA-O 3.3Å; D207-K260 WeakPolarHBondContact CA-O 3.47Å; A208-K260 PolarHBondContact N-O 2.93Å; N257-K260 HydrophobicContact CB-CB 3.79Å; N257-K260 HydrophobicContact CB-CG 3.68Å
261L98.9Very high98.4Very high1 Ų129.2 Ų29.21%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-111.5146.3175.5-54.1172.5000110.1V72 V158 S159 L189 L192 I193 L205 R206 I263V72-L261 HydrophobicContact CG1-CD2 3.6Å; V158-L261 CarbonylContact C-O 3.5Å; V158-L261 VanDerWaalsContact CA-O 3.25Å; V158-L261 WeakPolarHBondContact CA-O 3.26Å; S159-L261 PolarHBondContact N-O 2.9Å; S159-L261 PolarHBondContact OG-N 2.75Å; L189-L261 HydrophobicContact CB-CD2 4.5Å; L189-L261 HydrophobicContact CD1-CD2 3.57Å; L189-L261 HydrophobicContact CD1-CG 3.96Å; L192-L261 HydrophobicContact CD2-CD1 4.08Å; I193-L261 HydrophobicContact CD1-CD1 4.42Å; I193-L261 HydrophobicContact CD1-CD2 4.18Å; I193-L261 HydrophobicContact CG1-CD1 3.68Å; I193-L261 HydrophobicContact CG1-CD2 4.33Å; L205-L261 HydrophobicContact CD2-CD1 4.25Å; R206-L261 CarbonylContact O-C 3.35Å; R206-L261 WeakPolarHBondContact O-CA 3.21Å; L261-I263 HydrophobicContact CB-CD1 4.22Å; L261-I263 HydrophobicContact CB-CG1 3.9Å
262V98.9Very high98.6Very high0 Ų031.9 Ų31.90%015%0.152CC..EExtended strand (participates in β ladder)trans-105.6130158-1750000107.6L156 L157 V158 R206 A208 V213 V216 F220L156-V262 HydrophobicContact CD2-CG1 4.33Å; L157-V262 WeakPolarHBondContact O-CA 3.44Å; V158-V262 HydrophobicContact CG1-CG2 4.32Å; R206-V262 PolarHBondContact N-O 2.69Å; R206-V262 VanDerWaalsContact N-O 3.11Å; R206-V262 PolarHBondContact O-N 2.91Å; A208-V262 HydrophobicContact CB-CG2 4.12Å; V213-V262 HydrophobicContact CB-CG2 4.32Å; V213-V262 HydrophobicContact CG1-CG2 4.03Å; V213-V262 HydrophobicContact CG2-CG2 3.93Å; V216-V262 HydrophobicContact CB-CB 4.38Å; V216-V262 HydrophobicContact CB-CG2 4.03Å; V216-V262 HydrophobicContact CG1-CB 3.71Å; V216-V262 HydrophobicContact CG1-CG1 4Å; V216-V262 HydrophobicContact CG1-CG2 3.92Å; V216-V262 HydrophobicContact CG2-CG2 4.31Å; F220-V262 HydrophobicContact CE2-CG1 4.04Å
263I98.9Very high98.6Very high0 Ų031.6 Ų31.60%015%0.15CC..EExtended strand (participates in β ladder)trans-129.9121.6-166.7-41.4175.6000107.7L156 L157 L196 V202 L205 L261 V265 V273 L277L156-I263 CarbonylContact C-O 3.57Å; L156-I263 WeakPolarHBondContact CA-O 3.31Å; L157-I263 HydrophobicContact CB-CB 4.35Å; L157-I263 PolarHBondContact N-O 2.98Å; L157-I263 PolarHBondContact O-N 3.34Å; L196-I263 HydrophobicContact CD1-CD1 4.13Å; V202-I263 HydrophobicContact CG1-CG2 4.22Å; L205-I263 HydrophobicContact CD1-CB 3.79Å; L205-I263 HydrophobicContact CD1-CD1 4.16Å; L205-I263 HydrophobicContact CD1-CG1 3.52Å; L205-I263 HydrophobicContact CD1-CG2 3.4Å; L205-I263 VanDerWaalsContact CD1-CG2 3.4Å; L261-I263 HydrophobicContact CB-CD1 4.22Å; L261-I263 HydrophobicContact CB-CG1 3.9Å; I263-V265 HydrophobicContact CG2-CG1 3.62Å; I263-V273 HydrophobicContact CG2-CG1 4.43Å; I263-L277 HydrophobicContact CD1-CD1 3.56Å; I263-L277 HydrophobicContact CD1-CD2 3.79Å; I263-L277 HydrophobicContact CD1-CG 4.27Å
264A98.9Very high98.6Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-106.2129.9172.300000109.6L150 V155 K203 A204 F220L150-A264 HydrophobicContact CD1-CB 3.78Å; L150-A264 HydrophobicContact CD2-CB 3.44Å; L150-A264 VanDerWaalsContact CD2-CB 3.44Å; L150-A264 HydrophobicContact CG-CB 4.26Å; V155-A264 WeakPolarHBondContact O-CA 3.39Å; K203-A264 PolarHBondContact N-O 3.45Å; A204-A264 HydrophobicContact CB-CB 4.24Å; A204-A264 PolarHBondContact N-O 2.94Å; A204-A264 VanDerWaalsContact N-O 3.14Å; A204-A264 PolarHBondContact O-N 3.2Å; F220-A264 HydrophobicContact CD2-CB 4.29Å; F220-A264 HydrophobicContact CE2-CB 3.96Å
265V98.8Very high98.6Very high0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-137156.6-171.6-49.80000111.8D154 V155 L157 G201 V202 I263 A270 V273D154-V265 WeakPolarHBondContact CA-O 3.32Å; D154-V265 WeakPolarHBondContact CB-O 3.39Å; V155-V265 HydrophobicContact CG2-CG2 3.39Å; V155-V265 PolarHBondContact N-O 3.46Å; V155-V265 PolarHBondContact O-N 3.19Å; L157-V265 HydrophobicContact CD1-CB 4.29Å; L157-V265 HydrophobicContact CD1-CG1 3.85Å; L157-V265 HydrophobicContact CD1-CG2 3.39Å; G201-V265 CarbonylContact O-C 3.59Å; G201-V265 WeakPolarHBondContact O-CA 3.14Å; G201-V265 WeakPolarHBondContact O-CB 3.47Å; V202-V265 HydrophobicContact CG2-CG1 4.26Å; I263-V265 HydrophobicContact CG2-CG1 3.62Å; V265-A270 HydrophobicContact CG2-CB 4.33Å; V265-V273 HydrophobicContact CG1-CB 4.36Å; V265-V273 HydrophobicContact CG1-CG1 4.09Å; V265-V273 HydrophobicContact CG1-CG2 4.06Å
266E98.7Very high98.7Very high86 Ų8635.4 Ų35.440%0.40218%0.181SC..  trans-58.3139.5167.2-68.1-171.1-145.200110.5G201 K203 N268 A269 A270G201-E266 PolarHBondContact O-N 3.2Å; K203-E266 HydrophobicContact CD-CG 3.85Å; K203-E266 HydrophobicContact CG-CG 4.2Å; E266-N268 VanDerWaalsContact C-N 3.25Å; E266-N268 VanDerWaalsContact CB-OD1 3.29Å; E266-N268 WeakPolarHBondContact CB-OD1 3.38Å; E266-N268 PolarHBondContact O-N 2.9Å; E266-N268 VanDerWaalsContact O-N 3.15Å; E266-A269 HydrophobicContact CB-CB 4.39Å; E266-A269 PolarHBondContact O-N 2.93Å; E266-A270 PolarHBondContact O-N 3.15Å
267R98.7Very high98.7Very high130 Ų13035.4 Ų35.449%0.49118%0.181SC..G310 helixtrans-55.4-38.1-173.7-175.7169.3-68.4-117.7-6.2113.9G153 V155 A269 A270 E291G153-R267 PolarHBondContact O-NE 2.9Å; G153-R267 PolarHBondContact O-NH2 3.48Å; V155-R267 HydrophobicContact CG1-CB 4.41Å; V155-R267 HydrophobicContact CG1-CG 4.22Å; R267-A269 VanDerWaalsContact C-N 3.32Å; R267-A270 WeakPolarHBondContact O-CB 3.46Å; R267-E291 IonicContact CZ-OE2 3.61Å; R267-E291 IonicContact NH1-OE2 3.61Å; R267-E291 IonicContact NH2-OE2 2.7Å; R267-E291 PolarHBondContact NH2-OE2 3.27Å
268N98.3Very high98.7Very high133 Ų13339.3 Ų39.371%0.71120%0.199SC*.G310 helixtrans-74.5-19.1179.460.3-16.2000113.4E266E266-N268 VanDerWaalsContact C-N 3.25Å; E266-N268 VanDerWaalsContact CB-OD1 3.29Å; E266-N268 WeakPolarHBondContact CB-OD1 3.38Å; E266-N268 PolarHBondContact O-N 2.9Å; E266-N268 VanDerWaalsContact O-N 3.15Å
269A98.5Very high98.7Very high5 Ų543.4 Ų43.44%0.04123%0.228CC..G310 helixtrans-91.2-9.1178.900000113.2P200 E266 R267 E271 Q272 V273P200-A269 WeakPolarHBondContact O-CB 3.44Å; E266-A269 HydrophobicContact CB-CB 4.39Å; E266-A269 PolarHBondContact O-N 2.93Å; R267-A269 VanDerWaalsContact C-N 3.32Å; A269-E271 PolarHBondContact O-N 3.35Å; A269-Q272 PolarHBondContact O-N 3.18Å; A269-Q272 VanDerWaalsContact O-N 3.13Å; A269-V273 HydrophobicContact CB-CG2 4.49Å; A269-V273 WeakPolarHBondContact O-CG2 3.43Å; A269-V273 PolarHBondContact O-N 3.39Å
270A98.6Very high98.7Very high7 Ų745.2 Ų45.26%0.05824%0.235CC..Hα-helixtrans-51-50.8-173.600000113.9V155 V265 E266 R267 V273 L274 L288V155-A270 HydrophobicContact CG2-CB 3.57Å; V265-A270 HydrophobicContact CG2-CB 4.33Å; E266-A270 PolarHBondContact O-N 3.15Å; R267-A270 WeakPolarHBondContact O-CB 3.46Å; A270-V273 PolarHBondContact O-N 3.23Å; A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.46Å; A270-L274 PolarHBondContact O-N 3.4Å; A270-L288 HydrophobicContact CB-CD1 4.41Å
271E98.5Very high98.7Very high143 Ų14348.9 Ų48.967%0.66826%0.261SS*.Hα-helixtrans-66.4-39.2-179.1-65.5-59.9142.300112.2A269 L274 A275A269-E271 PolarHBondContact O-N 3.35Å; E271-L274 PolarHBondContact O-N 2.98Å; E271-A275 WeakPolarHBondContact O-CB 3.23Å; E271-A275 PolarHBondContact O-N 3.46Å
272Q98.5Very high98.7Very high109 Ų10951.8 Ų51.851%0.50928%0.276SS..Hα-helixtrans-65.8-44.7177.9-176.4-178.37.600111I199 A269 A275 A276I199-Q272 HydrophobicContact CD1-CG 4.47Å; I199-Q272 HydrophobicContact CG2-CG 4.09Å; A269-Q272 PolarHBondContact O-N 3.18Å; A269-Q272 VanDerWaalsContact O-N 3.13Å; Q272-A275 PolarHBondContact O-N 2.94Å; Q272-A276 WeakPolarHBondContact O-CB 3.38Å; Q272-A276 PolarHBondContact O-N 3.1Å
273V98.7Very high98.6Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-64.8-44.3177.5171.50000110.5L196 I199 V202 I263 V265 A269 A270 A275 A276 L277L196-V273 HydrophobicContact CD2-CG1 3.95Å; I199-V273 HydrophobicContact CG2-CG2 3.77Å; V202-V273 HydrophobicContact CG2-CG2 3.72Å; I263-V273 HydrophobicContact CG2-CG1 4.43Å; V265-V273 HydrophobicContact CG1-CB 4.36Å; V265-V273 HydrophobicContact CG1-CG1 4.09Å; V265-V273 HydrophobicContact CG1-CG2 4.06Å; A269-V273 HydrophobicContact CB-CG2 4.49Å; A269-V273 WeakPolarHBondContact O-CG2 3.43Å; A269-V273 PolarHBondContact O-N 3.39Å; A270-V273 PolarHBondContact O-N 3.23Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 PolarHBondContact O-N 2.97Å; V273-A276 PolarHBondContact O-N 3.08Å; V273-L277 HydrophobicContact CG1-CD1 4.12Å; V273-L277 HydrophobicContact CG1-CG 4.49Å; V273-L277 WeakPolarHBondContact O-CG 3.32Å; V273-L277 PolarHBondContact O-N 3.12Å
274L98.7Very high98.6Very high29 Ų2958.4 Ų58.415%0.15231%0.305CS..Hα-helixtrans-60.3-44.6177.5-171.766000111.6L157 A270 E271 A276 L277 H278 A286L157-L274 HydrophobicContact CD2-CB 4.02Å; L157-L274 HydrophobicContact CD2-CD1 3.97Å; A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.46Å; A270-L274 PolarHBondContact O-N 3.4Å; E271-L274 PolarHBondContact O-N 2.98Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3.28Å; L274-L277 PolarHBondContact O-N 3.07Å; L274-H278 PolarHBondContact O-N 3.33Å; L274-A286 HydrophobicContact CD1-CB 3.85Å; L274-A286 WeakPolarHBondContact CD1-O 3.25Å
275A98.6Very high98.6Very high60 Ų6062.6 Ų62.650%0.49633%0.327SS..Hα-helixtrans-62-39.3175.200000112.7E271 Q272 V273 H278 S279E271-A275 WeakPolarHBondContact O-CB 3.23Å; E271-A275 PolarHBondContact O-N 3.46Å; Q272-A275 PolarHBondContact O-N 2.94Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 PolarHBondContact O-N 2.97Å; A275-H278 PolarHBondContact O-N 3.42Å; A275-S279 PolarHBondContact O-N 3.02Å
276A98.7Very high98.6Very high16 Ų1663 Ų6313%0.13233%0.33CS..Hα-helixtrans-65.4-38.2176.300000112.3L196 I199 Q272 V273 L274 S279L196-A276 HydrophobicContact CD2-CB 4.48Å; I199-A276 HydrophobicContact CD1-CB 3.36Å; Q272-A276 WeakPolarHBondContact O-CB 3.38Å; Q272-A276 PolarHBondContact O-N 3.1Å; V273-A276 PolarHBondContact O-N 3.08Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3.28Å; A276-S279 PolarHBondContact O-N 2.85Å; A276-S279 PolarHBondContact O-OG 2.99Å
277L98.8Very high98.6Very high0 Ų059.9 Ų59.90%032%0.319CS..Hα-helixtrans-64.6-49.2173.2-64.8165.4000110.9L192 L196 I263 V273 L274 S279 H280 G283 A286L192-L277 HydrophobicContact CD1-CD2 3.81Å; L192-L277 HydrophobicContact CD2-CD2 4.22Å; L192-L277 HydrophobicContact CG-CD2 4.04Å; L196-L277 HydrophobicContact CD1-CD2 4.26Å; L196-L277 HydrophobicContact CD2-CD2 3.94Å; L196-L277 HydrophobicContact CD2-CG 4.2Å; L196-L277 HydrophobicContact CG-CD2 4.45Å; I263-L277 HydrophobicContact CD1-CD1 3.56Å; I263-L277 HydrophobicContact CD1-CD2 3.79Å; I263-L277 HydrophobicContact CD1-CG 4.27Å; V273-L277 HydrophobicContact CG1-CD1 4.12Å; V273-L277 HydrophobicContact CG1-CG 4.49Å; V273-L277 WeakPolarHBondContact O-CG 3.32Å; V273-L277 PolarHBondContact O-N 3.12Å; L274-L277 PolarHBondContact O-N 3.07Å; L277-S279 PolarHBondContact O-N 2.96Å; L277-S279 VanDerWaalsContact O-N 3.17Å; L277-H280 PolarHBondContact O-N 3.44Å; L277-G283 CarbonylContact C-O 3.57Å; L277-G283 CarbonylContact O-C 3.5Å; L277-G283 VanDerWaalsContact O-CA 3.26Å; L277-G283 WeakPolarHBondContact O-CA 3.43Å; L277-A286 HydrophobicContact CB-CB 3.62Å; L277-A286 HydrophobicContact CD1-CB 3.7Å; L277-A286 HydrophobicContact CG-CB 4.26Å
278H98.7Very high98.6Very high81 Ų8157.2 Ų57.238%0.37531%0.314SS..Hα-helixtrans-61.9-23.8179.3-69.6168.1000113.5L274 A275 H280 G283 K284 A286L274-H278 PolarHBondContact O-N 3.33Å; A275-H278 PolarHBondContact O-N 3.42Å; H278-H280 PolarHBondContact O-N 3.15Å; H278-G283 PolarHBondContact CD2-O 2.67Å; H278-K284 PolarHBondContact CD2-O 3.01Å; H278-K284 VanDerWaalsContact CD2-O 3.3Å; H278-A286 PolarHBondContact NE2-O 3.06Å
279S98.4Very high98.6Very high90 Ų9050.9 Ų50.963%0.62928%0.281SS*.THydrogen-bonded Turntrans-68.3-18.3176.1810000113.9A275 A276 L277A275-S279 PolarHBondContact O-N 3.02Å; A276-S279 PolarHBondContact O-N 2.85Å; A276-S279 PolarHBondContact O-OG 2.99Å; L277-S279 PolarHBondContact O-N 2.96Å; L277-S279 VanDerWaalsContact O-N 3.17Å
280H98.6Very high98.7Very high43 Ų4351.1 Ų51.120%0.19928%0.283CS..SBendtrans-112141.3-176.5-170.3-89.2000111.4L192 T195 L277 H278 L282 G283 K284L192-H280 HydrophobicContact CD1-CB 3.72Å; T195-H280 HydrophobicContact CG2-CB 4.32Å; L277-H280 PolarHBondContact O-N 3.44Å; H278-H280 PolarHBondContact O-N 3.15Å; H280-L282 VanDerWaalsContact C-N 3.26Å; H280-L282 PolarHBondContact ND1-N 3.2Å; H280-L282 PolarHBondContact O-N 2.9Å; H280-L282 VanDerWaalsContact O-N 3.13Å; H280-G283 PolarHBondContact O-N 3Å; H280-K284 PolarHBondContact O-N 3.46Å
281P98.6Very high98.7Very high94 Ų9453.7 Ų53.761%0.6129%0.294SS*.G310 helixtrans-53.4-36.8-178.2-29.536000115.4G283P281-G283 VanDerWaalsContact C-N 3.26Å; P281-G283 PolarHBondContact O-N 2.96Å
282L98.6Very high98.7Very high62 Ų6246.9 Ų46.933%0.32526%0.262SS..G310 helixtrans-74.3-12.6179.1-61.2173.9000114A187 L189 L192 H280A187-L282 HydrophobicContact CB-CD2 3.99Å; L189-L282 HydrophobicContact CD2-CD1 4.28Å; L192-L282 HydrophobicContact CB-CB 4.27Å; L192-L282 HydrophobicContact CB-CD1 4.45Å; L192-L282 HydrophobicContact CD2-CB 4.09Å; H280-L282 VanDerWaalsContact C-N 3.26Å; H280-L282 PolarHBondContact ND1-N 3.2Å; H280-L282 PolarHBondContact O-N 2.9Å; H280-L282 VanDerWaalsContact O-N 3.13Å
283G98.7Very high98.7Very high0 Ų042.8 Ų42.80%025%0.245CC..G310 helixtrans-113.36.3-176.100000114.3S159 L277 H278 H280 P281 D285 A286S159-G283 WeakPolarHBondContact O-CA 3.36Å; L277-G283 CarbonylContact C-O 3.57Å; L277-G283 CarbonylContact O-C 3.5Å; L277-G283 VanDerWaalsContact O-CA 3.26Å; L277-G283 WeakPolarHBondContact O-CA 3.43Å; H278-G283 PolarHBondContact CD2-O 2.67Å; H280-G283 PolarHBondContact O-N 3Å; P281-G283 VanDerWaalsContact C-N 3.26Å; P281-G283 PolarHBondContact O-N 2.96Å; G283-D285 PolarHBondContact O-N 2.95Å; G283-A286 WeakPolarHBondContact O-CB 3.47Å; G283-A286 PolarHBondContact O-N 3.4Å
284K98.4Very high98.7Very high138 Ų13850.8 Ų50.860%0.628%0.282SS*.THydrogen-bonded Turntrans-58.7-32.4-172.2-76.1-173.1172.9-1740114.7H278 H280 A286H278-K284 PolarHBondContact CD2-O 3.01Å; H278-K284 VanDerWaalsContact CD2-O 3.3Å; H280-K284 PolarHBondContact O-N 3.46Å; K284-A286 VanDerWaalsContact C-N 3.34Å
285D98.8Very high98.7Very high89 Ų8958.4 Ų58.448%0.47631%0.309SS..THydrogen-bonded Turntrans-9716.1-179.2-58.7-47.7000112.3G160 T161 G283G160-D285 WeakPolarHBondContact CA-O 3.44Å; T161-D285 HydrophobicContact CG2-CB 4.03Å; G283-D285 PolarHBondContact O-N 2.95Å
286A98.8Very high98.7Very high7 Ų762.9 Ų62.96%0.05832%0.317CS..  trans-60145179.400000111.4V158 S159 L274 L277 H278 G283 K284V158-A286 CarbonylContact O-C 3.6Å; V158-A286 WeakPolarHBondContact O-CA 3.29Å; V158-A286 WeakPolarHBondContact O-CB 3.19Å; S159-A286 PolarHBondContact O-N 3.23Å; L274-A286 HydrophobicContact CD1-CB 3.85Å; L274-A286 WeakPolarHBondContact CD1-O 3.25Å; L277-A286 HydrophobicContact CB-CB 3.62Å; L277-A286 HydrophobicContact CD1-CB 3.7Å; L277-A286 HydrophobicContact CG-CB 4.26Å; H278-A286 PolarHBondContact NE2-O 3.06Å; G283-A286 WeakPolarHBondContact O-CB 3.47Å; G283-A286 PolarHBondContact O-N 3.4Å; K284-A286 VanDerWaalsContact C-N 3.34Å
287A98.8Very high98.7Very high21 Ų2164 Ų6417%0.17433%0.33CS..EExtended strand (participates in β ladder)trans-150148.5-176.500000111.7L157 V158 P236 I289L157-A287 CarbonylContact C-O 3.48Å; L157-A287 WeakPolarHBondContact CA-O 3.5Å; L157-A287 WeakPolarHBondContact CB-O 3.33Å; V158-A287 PolarHBondContact N-O 2.85Å; V158-A287 PolarHBondContact O-N 3.49Å; P236-A287 HydrophobicContact CG-CB 4.03Å; A287-I289 HydrophobicContact CB-CG2 4.49Å
288L98.8Very high98.7Very high74 Ų7464.2 Ų64.239%0.38733%0.331SS..EExtended strand (participates in β ladder)trans-77.4126.5165.9-174.2154.7000108.8V155 A270V155-L288 HydrophobicContact CB-CD1 4.14Å; V155-L288 HydrophobicContact CG1-CD1 4.43Å; V155-L288 HydrophobicContact CG2-CD1 4.15Å; A270-L288 HydrophobicContact CB-CD1 4.41Å
289I98.8Very high98.7Very high1 Ų161.1 Ų61.11%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-121-12.7-173.560.4157.8000114.2L156 V158 V213 L230 S231 L235 A287L156-I289 HydrophobicContact CB-CG1 4.27Å; L156-I289 PolarHBondContact O-N 2.94Å; V158-I289 HydrophobicContact CG1-CD1 3.49Å; V158-I289 VanDerWaalsContact CG1-CD1 3.49Å; V158-I289 HydrophobicContact CG1-CG1 4.19Å; V158-I289 HydrophobicContact CG2-CG2 3.75Å; V213-I289 HydrophobicContact CG1-CD1 4.09Å; L230-I289 CarbonylContact C-O 3.42Å; L230-I289 VanDerWaalsContact CA-O 3.32Å; L230-I289 WeakPolarHBondContact CA-O 3.39Å; L230-I289 HydrophobicContact CD2-CD1 3.95Å; L230-I289 HydrophobicContact CD2-CG1 4.21Å; S231-I289 PolarHBondContact N-O 3.15Å; L235-I289 HydrophobicContact CD2-CB 4.05Å; L235-I289 HydrophobicContact CD2-CD1 4.33Å; L235-I289 HydrophobicContact CD2-CG2 4Å; A287-I289 HydrophobicContact CB-CG2 4.49Å
290G98.7Very high98.7Very high9 Ų958 Ų589%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-178.4-170.2-176.300000115.5L156 E229L156-G290 PolarHBondContact N-O 2.9Å; L156-G290 PolarHBondContact O-N 2.88Å; E229-G290 CarbonylContact O-C 3.53Å; E229-G290 WeakPolarHBondContact O-CA 3.27Å
291E98.8Very high98.7Very high61 Ų6156.8 Ų56.829%0.28529%0.29SS..EExtended strand (participates in β ladder)trans-145.2153.6-179.960.7177.4-179.600112.6D154 L156 I228 E229 R267 V293D154-E291 CarbonylContact O-C 3.53Å; D154-E291 WeakPolarHBondContact O-CA 3.31Å; L156-E291 VanDerWaalsContact CD1-C 3.48Å; I228-E291 WeakPolarHBondContact CA-O 3.4Å; E229-E291 PolarHBondContact N-O 3.09Å; E229-E291 PolarHBondContact O-N 3.21Å; R267-E291 IonicContact CZ-OE2 3.61Å; R267-E291 IonicContact NH1-OE2 3.61Å; R267-E291 IonicContact NH2-OE2 2.7Å; R267-E291 PolarHBondContact NH2-OE2 3.27Å; E291-V293 HydrophobicContact CG-CG1 3.87Å
292V98.9Very high98.5Very high1 Ų153 Ų531%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-84.2133.3168.9-175.80000108.3L150 T151 A152 G153 D154 L156 C226 G227 I228L150-V292 HydrophobicContact CB-CG2 4.48Å; T151-V292 WeakPolarHBondContact O-CB 3.47Å; T151-V292 WeakPolarHBondContact O-CG1 3.47Å; A152-V292 WeakPolarHBondContact CA-O 3.5Å; G153-V292 PolarHBondContact N-O 2.68Å; D154-V292 HydrophobicContact CB-CB 4.12Å; D154-V292 HydrophobicContact CB-CG2 3.87Å; D154-V292 PolarHBondContact O-N 2.82Å; L156-V292 HydrophobicContact CD1-CG2 3.86Å; C226-V292 HydrophobicContact CB-CG1 3.55Å; G227-V292 CarbonylContact O-C 3.56Å; G227-V292 WeakPolarHBondContact O-CA 3.39Å; I228-V292 HydrophobicContact CG1-CG2 4.24Å
293V98.8Very high98.3Very high22 Ų2256.2 Ų56.213%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-131.9160.1-176.3-58.80000111.8C226 G227 E229 E291 R295 R299C226-V293 WeakPolarHBondContact CB-O 3.21Å; G227-V293 PolarHBondContact N-O 2.96Å; G227-V293 PolarHBondContact O-N 3.44Å; E229-V293 HydrophobicContact CG-CG1 4.16Å; E229-V293 HydrophobicContact CG-CG2 3.76Å; E291-V293 HydrophobicContact CG-CG1 3.87Å; V293-R295 PolarHBondContact O-N 3.48Å; V293-R299 VanDerWaalsContact CG2-NH2 3.28Å
294E98.6Very high98.2Very high169 Ų16966.8 Ų66.879%0.7933%0.326SS*.SBendtrans-64.7-39.7-180-170-174.3171.200112.6A152 K296A152-E294 HydrophobicContact CB-CB 4.38Å; E294-K296 PolarHBondContact O-N 2.84Å; E294-K296 VanDerWaalsContact O-N 3.09Å
295R98.4Very high98Very high189 Ų18962.5 Ų62.571%0.71332%0.321SS*.SBendtrans-69.7108.2-179.2179.8179.8174.3162.2-1.2110.8G227 V293 R299G227-R295 VanDerWaalsContact CA-O 3.28Å; G227-R295 WeakPolarHBondContact CA-O 3.37Å; V293-R295 PolarHBondContact O-N 3.48Å; R295-R299 PolarHBondContact O-NH1 2.9Å; R295-R299 PolarHBondContact O-NH2 3.08Å
296K98.4Very high97.9Very high154 Ų15461.4 Ų61.467%0.6732%0.318SS*.  trans-49.7156.6178.3-69.7175.5178.21620115.1G225 E294 R299G225-K296 WeakPolarHBondContact O-CE 3.25Å; G225-K296 WeakPolarHBondContact O-CG 3.36Å; E294-K296 PolarHBondContact O-N 2.84Å; E294-K296 VanDerWaalsContact O-N 3.09Å; K296-R299 PolarHBondContact O-NH1 3.39Å
297G98.2Very high97.9Very high38 Ų3866.1 Ų66.139%0.39234%0.337SS..EExtended strand (participates in β ladder)trans94.7160.9-178.600000112.9G227 I228 R299G227-G297 VanDerWaalsContact CA-O 3.22Å; G227-G297 WeakPolarHBondContact CA-O 3.29Å; I228-G297 PolarHBondContact N-O 2.75Å; I228-G297 VanDerWaalsContact N-O 3.11Å; G297-R299 PolarHBondContact O-NH1 3.21Å
298V98.8Very high97.8Very high6 Ų671.7 Ų71.74%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-98.3132.6178.1-174.20000109.5V217 H218 A221 I228 L310V217-V298 HydrophobicContact CG2-CG1 3.73Å; H218-V298 HydrophobicContact CB-CG2 4.5Å; A221-V298 HydrophobicContact CB-CG2 3.92Å; I228-V298 CarbonylContact O-C 3.46Å; I228-V298 VanDerWaalsContact O-CA 3.31Å; I228-V298 WeakPolarHBondContact O-CA 3.34Å; V298-L310 HydrophobicContact CG1-CB 4.18Å; V298-L310 HydrophobicContact CG1-CD2 4.14Å; V298-L310 PolarHBondContact O-N 3.41Å
299R98.8Very high97.8Very high16 Ų1673 Ų736%0.0637%0.365CS..EExtended strand (participates in β ladder)trans-133.8147.2-179.7-67.1173.6-69.8-74.42112.2I228 E229 L230 V293 R295 K296 G297 K307 R308I228-R299 PolarHBondContact O-N 3.14Å; E229-R299 WeakPolarHBondContact CA-O 3.43Å; E229-R299 HydrophobicContact CG-CB 4.32Å; E229-R299 IonicContact OE1-CZ 3.17Å; E229-R299 IonicContact OE1-NE 2.69Å; E229-R299 PolarHBondContact OE1-NE 2.93Å; E229-R299 IonicContact OE1-NH2 2.72Å; E229-R299 PolarHBondContact OE1-NH2 3.1Å; L230-R299 PolarHBondContact N-O 3.3Å; V293-R299 VanDerWaalsContact CG2-NH2 3.28Å; R295-R299 PolarHBondContact O-NH1 2.9Å; R295-R299 PolarHBondContact O-NH2 3.08Å; K296-R299 PolarHBondContact O-NH1 3.39Å; G297-R299 PolarHBondContact O-NH1 3.21Å; R299-K307 HydrophobicContact CB-CB 4.31Å; R299-R308 CarbonylContact C-O 3.59Å; R299-R308 WeakPolarHBondContact CA-O 3.35Å; R299-R308 VanDerWaalsContact CB-O 3.27Å; R299-R308 WeakPolarHBondContact CB-O 3.45Å
300L98.6Very high97.8Very high23 Ų2373.7 Ų73.712%0.1237%0.368CS..EExtended strand (participates in β ladder)trans-110.8123.9172.4-172.664.5000109.6L230 E232 L235 L253 R308 L310L230-L300 HydrophobicContact CB-CD1 3.81Å; E232-L300 HydrophobicContact CB-CD1 3.96Å; E232-L300 HydrophobicContact CB-CD2 4.29Å; E232-L300 HydrophobicContact CB-CG 4.04Å; E232-L300 HydrophobicContact CG-CD2 4.25Å; L235-L300 HydrophobicContact CD1-CD1 4.46Å; L253-L300 HydrophobicContact CD1-CD1 4.32Å; L253-L300 HydrophobicContact CD1-CD2 4.34Å; L300-R308 PolarHBondContact N-O 3.49Å; L300-R308 PolarHBondContact O-N 2.94Å; L300-L310 HydrophobicContact CB-CB 4.32Å; L300-L310 HydrophobicContact CD2-CD1 4.48Å
301A98.4Very high97.7Very high19 Ų1979 Ų7916%0.15739%0.394CS..EExtended strand (participates in β ladder)trans-90.5110.4176.100000110L230 E232 V306 K307L230-A301 WeakPolarHBondContact O-CB 3.37Å; L230-A301 PolarHBondContact O-N 3.1Å; E232-A301 WeakPolarHBondContact CB-O 3.28Å; E232-A301 PolarHBondContact N-O 3.47Å; A301-V306 WeakPolarHBondContact CA-O 3.39Å; A301-K307 HydrophobicContact CB-CG 4.06Å
302G96.3Very high97.6Very high15 Ų1580 Ų8016%0.15540%0.401CS..  trans-100.2-148.1177.200000113E232 Y304 G305 V306E232-G302 WeakPolarHBondContact OE2-CA 3.17Å; G302-Y304 PolarHBondContact O-N 3.49Å; G302-G305 PolarHBondContact O-N 2.86Å; G302-V306 PolarHBondContact N-O 3.29Å
303L94.2Very high97.3Very high129 Ų12982.4 Ų82.468%0.67542%0.417SS*.G310 helixtrans-49.3138.4177.4-74.6164.2000112.7G305 V306L303-G305 PolarHBondContact O-N 3.2Å; L303-G305 VanDerWaalsContact O-N 3.16Å; L303-V306 WeakPolarHBondContact O-CG2 3.23Å; L303-V306 PolarHBondContact O-N 3.4Å
304Y95.1Very high96.9Very high222 Ų22291 Ų9187%0.87146%0.455SS*.G310 helixtrans59.617.5-178.4-43.3-68.6000114.7G302 V306G302-Y304 PolarHBondContact O-N 3.49Å; Y304-V306 VanDerWaalsContact C-N 3.27Å; Y304-V306 PolarHBondContact O-N 3.1Å
305G94.2Very high96.5Very high48 Ų4886.5 Ų86.550%0.49545%0.447SS..G310 helixtrans73.416.7-179.200000113.9G302 L303 K307G302-G305 PolarHBondContact O-N 2.86Å; L303-G305 PolarHBondContact O-N 3.2Å; L303-G305 VanDerWaalsContact O-N 3.16Å; G305-K307 PolarHBondContact O-N 3.39Å
306V97.7Very high95.7Very high65 Ų6580.1 Ų80.139%0.39443%0.425SS..  trans-68.7115.1178.1178.30000109.5A301 G302 L303 Y304 R308A301-V306 WeakPolarHBondContact CA-O 3.39Å; G302-V306 PolarHBondContact N-O 3.29Å; L303-V306 WeakPolarHBondContact O-CG2 3.23Å; L303-V306 PolarHBondContact O-N 3.4Å; Y304-V306 VanDerWaalsContact C-N 3.27Å; Y304-V306 PolarHBondContact O-N 3.1Å; V306-R308 HydrophobicContact CG1-CG 4.12Å
307K98Very high94.9Very high107 Ų10774.5 Ų74.547%0.46540%0.404SS..EExtended strand (participates in β ladder)trans-90.7112.2179.4-54.1-175.2-178.5-179.90109.9E229 R299 A301 G305E229-K307 WeakPolarHBondContact OE1-CD 3.32Å; E229-K307 IonicContact OE1-NZ 3.14Å; E229-K307 WeakPolarHBondContact OE2-CD 3.02Å; E229-K307 WeakPolarHBondContact OE2-CE 3.4Å; E229-K307 IonicContact OE2-NZ 2.78Å; E229-K307 PolarHBondContact OE2-NZ 2.87Å; R299-K307 HydrophobicContact CB-CB 4.31Å; A301-K307 HydrophobicContact CB-CG 4.06Å; G305-K307 PolarHBondContact O-N 3.39Å
308R97.7Very high94.4Very high138 Ų13874.1 Ų74.152%0.52139%0.393SS..EExtended strand (participates in β ladder)trans-107.7149.5176.9-57.3-178.1-171.387.21.3109.4R299 L300 V306 L310R299-R308 CarbonylContact C-O 3.59Å; R299-R308 WeakPolarHBondContact CA-O 3.35Å; R299-R308 VanDerWaalsContact CB-O 3.27Å; R299-R308 WeakPolarHBondContact CB-O 3.45Å; L300-R308 PolarHBondContact N-O 3.49Å; L300-R308 PolarHBondContact O-N 2.94Å; V306-R308 HydrophobicContact CG1-CG 4.12Å; R308-L310 PolarHBondContact O-N 3.48Å
309T98.3Very high94.1Very high101 Ų10178.3 Ų78.362%0.6242%0.421SS*.EExtended strand (participates in β ladder)trans-57.1132.8169.7-55.30000108.9
310L98.3Very high93.9Very high16 Ų1680.8 Ų80.88%0.08443%0.43CS..  trans-98.2112171.6177.764.7000106.9N214 H218 L230 L253 V298 L300 R308N214-L310 VanDerWaalsContact OD1-CD2 3.28Å; N214-L310 WeakPolarHBondContact OD1-CD2 3.37Å; N214-L310 WeakPolarHBondContact OD1-CG 3.48Å; H218-L310 PolarHBondContact CE1-O 3.39Å; H218-L310 PolarHBondContact NE2-O 2.89Å; H218-L310 VanDerWaalsContact NE2-O 3.11Å; L230-L310 HydrophobicContact CD1-CD2 4.37Å; L253-L310 HydrophobicContact CD1-CD1 4.41Å; L253-L310 HydrophobicContact CD1-CD2 3.91Å; V298-L310 HydrophobicContact CG1-CB 4.18Å; V298-L310 HydrophobicContact CG1-CD2 4.14Å; V298-L310 PolarHBondContact O-N 3.41Å; L300-L310 HydrophobicContact CB-CB 4.32Å; L300-L310 HydrophobicContact CD2-CD1 4.48Å; R308-L310 PolarHBondContact O-N 3.48Å
311D97Very high93.5Very high119 Ų11980 Ų8064%0.63643%0.426SS*.PPolyproline II helixtrans-86.4150.9-179.5-62.8-47.8000110.9N214N214-D311 PolarHBondContact ND2-O 3.33Å
312L96.3Very high92.9Very high82 Ų8280.5 Ų80.543%0.42943%0.428SS..PPolyproline II helixtrans-74.7139.5166.7-74.5170.8000109.9N214 H218N214-L312 HydrophobicContact CB-CD2 4.41Å; H218-L312 HydrophobicContact CB-CD1 3.99Å; H218-L312 HydrophobicContact CB-CD2 4.28Å; H218-L312 HydrophobicContact CB-CG 4.3Å
313P93Very high92.7Very high52 Ų5283.8 Ų83.834%0.33844%0.442SS..PPolyproline II helixtrans-66153.6173.631.2-35.9000110.5N254 A315N254-P313 HydrophobicContact CB-CG 4.33Å; N254-P313 WeakPolarHBondContact OD1-CD 3.48Å; P313-A315 VanDerWaalsContact C-N 3.28Å; P313-A315 PolarHBondContact O-N 3.25Å
314H91.6Very high92.6Very high204 Ų20481.4 Ų81.494%0.94443%0.43SS*.SBendtrans-72.7-21.6177.5-65.4-50.1000113.5
315A88.1Confident92.5Very high74 Ų7473.6 Ų73.661%0.61241%0.405SS*.SBendtrans-151.7160.9178.600000110.1P313P313-A315 VanDerWaalsContact C-N 3.28Å; P313-A315 PolarHBondContact O-N 3.25Å
316E83.6Confident92.4Very high54 Ų5475.1 Ų75.125%0.25240%0.4SS..  trans-60.4153.9168.3-68.4-6596.600110.8R210 G211 L318R210-E316 VanDerWaalsContact CG-CD 3.46Å; R210-E316 HydrophobicContact CG-CG 3.89Å; R210-E316 WeakPolarHBondContact CG-OE2 3.4Å; G211-E316 VanDerWaalsContact CA-OE1 3.26Å; G211-E316 WeakPolarHBondContact CA-OE1 3.43Å; G211-E316 PolarHBondContact N-OE1 2.83Å; G211-E316 PolarHBondContact N-OE2 2.7Å; G211-E316 VanDerWaalsContact N-OE2 3.11Å; E316-L318 PolarHBondContact O-N 2.92Å; E316-L318 VanDerWaalsContact O-N 3.14Å
317P80.8Confident92Very high36 Ų3675.8 Ų75.823%0.23440%0.4CS..SBendtrans-49.8-39.4176.5-31.137.2000114.1L170 L250 F255 I321L170-P317 HydrophobicContact CD1-CB 4.13Å; L170-P317 HydrophobicContact CD2-CB 4.08Å; L250-P317 HydrophobicContact CD1-CB 3.92Å; L250-P317 HydrophobicContact CD1-CG 4.47Å; F255-P317 HydrophobicContact CD1-CG 3.84Å; F255-P317 HydrophobicContact CE1-CB 4.45Å; F255-P317 HydrophobicContact CE1-CG 3.98Å; P317-I321 HydrophobicContact CB-CD1 4.13Å; P317-I321 HydrophobicContact CG-CD1 4.46Å
318L87.3Confident91.6Very high30 Ų3073.7 Ų73.716%0.15740%0.396CS..SBendtrans-152.8144.9178.3-127.9148.5000109.3L170 E174 E316 I321L170-L318 HydrophobicContact CD2-CB 3.98Å; L170-L318 HydrophobicContact CD2-CD1 3.62Å; L170-L318 HydrophobicContact CD2-CG 4.41Å; E174-L318 HydrophobicContact CG-CD1 3.72Å; E174-L318 VanDerWaalsContact OE1-CD1 3.25Å; E174-L318 WeakPolarHBondContact OE1-CD1 3.47Å; E316-L318 PolarHBondContact O-N 2.92Å; E316-L318 VanDerWaalsContact O-N 3.14Å; L318-I321 HydrophobicContact CB-CD1 4.11Å; L318-I321 HydrophobicContact CB-CG1 4.25Å; L318-I321 WeakPolarHBondContact O-CD1 3.22Å; L318-I321 WeakPolarHBondContact O-CG1 3.24Å
319P92.4Very high91.2Very high95 Ų9569.1 Ų69.162%0.61739%0.387SS*.THydrogen-bonded Turntrans-63.1149.7170.8-2232.7000112
320R94Very high90.7Very high67 Ų6766.6 Ų66.625%0.25337%0.369SS..THydrogen-bonded Turntrans6242.9172.8-54.9175.763.2-165.1-6.3113.3V47 I48 D49 D127V47-R320 HydrophobicContact CG2-CB 4.4Å; V47-R320 HydrophobicContact CG2-CG 3.99Å; V47-R320 WeakPolarHBondContact O-CB 3.4Å; V47-R320 PolarHBondContact O-NE 2.9Å; V47-R320 PolarHBondContact O-NH2 2.78Å; V47-R320 VanDerWaalsContact O-NH2 3.16Å; I48-R320 WeakPolarHBondContact CA-O 3.46Å; D49-R320 HydrophobicContact CB-CB 4.38Å; D49-R320 PolarHBondContact N-O 2.61Å; D127-R320 IonicContact OD2-CZ 2.68Å; D127-R320 VanDerWaalsContact OD2-CZ 3.25Å; D127-R320 IonicContact OD2-NH1 2.7Å; D127-R320 PolarHBondContact OD2-NH1 3.29Å; D127-R320 IonicContact OD2-NH2 2.7Å; D127-R320 PolarHBondContact OD2-NH2 3Å
321I91.7Very high90Very high6 Ų670.8 Ų70.83%0.03139%0.393CS..  trans-73.6-32.8167-68.8169.2000110.5I48 H165 I169 A256 P317 L318I48-I321 WeakPolarHBondContact CD1-O 3.46Å; I48-I321 VanDerWaalsContact CG1-O 3.22Å; I48-I321 WeakPolarHBondContact CG1-O 3.37Å; H165-I321 PolarHBondContact NE2-O 3.39Å; I169-I321 HydrophobicContact CB-CG2 4.46Å; I169-I321 HydrophobicContact CG1-CG2 4.45Å; I169-I321 HydrophobicContact CG2-CG1 4.38Å; A256-I321 HydrophobicContact CB-CG2 3.89Å; P317-I321 HydrophobicContact CB-CD1 4.13Å; P317-I321 HydrophobicContact CG-CD1 4.46Å; L318-I321 HydrophobicContact CB-CD1 4.11Å; L318-I321 HydrophobicContact CB-CG1 4.25Å; L318-I321 WeakPolarHBondContact O-CD1 3.22Å; L318-I321 WeakPolarHBondContact O-CG1 3.24Å
322C84.4Confident89.4Confident31 Ų3166.5 Ų66.521%0.20937%0.371CS..  trans-120.20177.3-49.50000110.5Y46 V47 I48 L61 E258Y46-C322 WeakPolarHBondContact CA-OXT 3.36Å; V47-C322 VanDerWaalsContact CG2-O 3.27Å; V47-C322 WeakPolarHBondContact CG2-O 3.44Å; V47-C322 PolarHBondContact N-O 3.11Å; V47-C322 PolarHBondContact N-OXT 3.39Å; V47-C322 VanDerWaalsContact N-OXT 3.1Å; I48-C322 WeakPolarHBondContact CB-OXT 3.35Å; I48-C322 PolarHBondContact N-O 3.18Å; I48-C322 PolarHBondContact N-OXT 3.11Å; I48-C322 VanDerWaalsContact N-OXT 3.08Å; L61-C322 WeakPolarHBondContact CD2-OXT 3.31Å; E258-C322 PolarHBondContact OE1-SG 3.05Å

Retrieved 322 of 322 residues in 95.3 ms (Link to these results)

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