G4V8G4_SCHMA Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession G4V8G4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 157 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
1M94.3Very high97.3Very high59 Ų5934.6 Ų34.629%0.29115%0.153SC..  0141.40-171.8-172.766.400113.6N3 S21 I71 D72 D75 E122M1-N3 PolarHBondContact O-N 3.26Å; M1-N3 PolarHBondContact O-ND2 3.28Å; M1-S21 WeakPolarHBondContact CE-OG 3.47Å; M1-I71 WeakPolarHBondContact O-CA 3.49Å; M1-D72 WeakPolarHBondContact CA-OD2 3.29Å; M1-D72 VanDerWaalsContact CB-OD2 3.29Å; M1-D72 WeakPolarHBondContact CB-OD2 3.23Å; M1-D72 PolarHBondContact N-OD2 2.9Å; M1-D72 PolarHBondContact O-N 3.2Å; M1-D75 WeakPolarHBondContact CA-OD2 3.36Å; M1-D75 PolarHBondContact N-OD1 3.4Å; M1-D75 VanDerWaalsContact N-OD1 3.14Å; M1-D75 PolarHBondContact N-OD2 3.19Å; M1-E122 WeakPolarHBondContact CA-OE1 3.08Å; M1-E122 WeakPolarHBondContact CB-OE1 3.43Å; M1-E122 PolarHBondContact N-OE1 3.5Å
2I98.1Very high97.2Very high6 Ų633.7 Ų33.73%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-73.2117.6166-59.8164.9000109.2Y20 C69 A70 I71 I83 L118 G121I2-Y20 HydrophobicContact CB-CD2 4.34Å; I2-Y20 HydrophobicContact CB-CE2 4.46Å; I2-Y20 HydrophobicContact CG2-CD2 3.92Å; I2-Y20 HydrophobicContact CG2-CE2 3.9Å; I2-Y20 WeakPolarHBondContact O-CB 3.41Å; I2-Y20 WeakPolarHBondContact O-CD2 3.41Å; I2-C69 HydrophobicContact CG2-CB 4.3Å; I2-A70 CarbonylContact C-O 3.52Å; I2-A70 WeakPolarHBondContact CA-O 3.48Å; I2-I71 HydrophobicContact CB-CG2 4.45Å; I2-I71 HydrophobicContact CG1-CG2 3.8Å; I2-I83 HydrophobicContact CD1-CD1 4.24Å; I2-I83 HydrophobicContact CD1-CG2 4.2Å; I2-L118 HydrophobicContact CD1-CD1 4.06Å; I2-L118 HydrophobicContact CD1-CD2 4.44Å; I2-G121 WeakPolarHBondContact CB-O 3.48Å; I2-G121 PolarHBondContact N-O 2.88Å; I2-G121 VanDerWaalsContact O-CA 3.24Å; I2-G121 WeakPolarHBondContact O-CA 3.3Å
3N98Very high97.2Very high14 Ų1439.7 Ų39.78%0.07519%0.185CC..EExtended strand (participates in β ladder)trans-78.9-41.7179.7-80.1-106.1000111.8M1 Y20 S21 Y23 L55 A70 D72M1-N3 PolarHBondContact O-N 3.26Å; M1-N3 PolarHBondContact O-ND2 3.28Å; N3-Y20 PolarHBondContact O-N 3.35Å; N3-S21 PolarHBondContact O-N 3.13Å; N3-S21 PolarHBondContact OD1-OG 3.12Å; N3-Y23 PolarHBondContact OD1-OH 2.9Å; N3-Y23 VanDerWaalsContact OD1-OH 3.1Å; N3-L55 HydrophobicContact CB-CD1 4.27Å; N3-A70 HydrophobicContact CB-CB 4.42Å; N3-A70 PolarHBondContact N-O 2.71Å; N3-D72 PolarHBondContact ND2-OD1 3.18Å
4F98.3Very high97.3Very high0 Ų040.2 Ų40.20%019%0.192CC..EExtended strand (participates in β ladder)trans-159.4153.8175.253.6-98.8000111.9L6 K18 W19 Y23 I35 W52 L55 C69 A70F4-L6 HydrophobicContact CD2-CD1 3.9Å; F4-L6 HydrophobicContact CD2-CD2 4.28Å; F4-L6 HydrophobicContact CD2-CG 3.84Å; F4-L6 HydrophobicContact CE2-CD1 3.82Å; F4-L6 HydrophobicContact CE2-CG 4.27Å; F4-K18 CarbonylContact C-O 3.49Å; F4-K18 WeakPolarHBondContact CA-O 3.35Å; F4-K18 VanDerWaalsContact CB-O 3.29Å; F4-K18 WeakPolarHBondContact CB-O 3.43Å; F4-W19 HydrophobicContact CB-CD2 4.04Å; F4-W19 HydrophobicContact CB-CE3 3.49Å; F4-W19 VanDerWaalsContact CB-CE3 3.49Å; F4-W19 HydrophobicContact CB-CZ3 3.92Å; F4-W19 AromaticContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CH2 4.47Å; F4-W19 AromaticContact CD1-CZ3 3.42Å; F4-W19 HydrophobicContact CD1-CZ3 3.42Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.42Å; F4-W19 HydrophobicContact CD2-CZ3 4.15Å; F4-W19 AromaticContact CE1-CZ3 3.88Å; F4-W19 HydrophobicContact CE1-CZ3 3.88Å; F4-W19 AromaticContact CG-CE3 3.69Å; F4-W19 HydrophobicContact CG-CE3 3.69Å; F4-W19 HydrophobicContact CG-CH2 4.36Å; F4-W19 AromaticContact CG-CZ3 3.57Å; F4-W19 HydrophobicContact CG-CZ3 3.57Å; F4-W19 HydrophobicContact CZ-CZ3 4.4Å; F4-Y23 HydrophobicContact CD1-CE2 4.02Å; F4-I35 HydrophobicContact CE2-CG1 4.46Å; F4-I35 HydrophobicContact CZ-CG1 4.48Å; F4-W52 HydrophobicContact CE1-CZ3 4.28Å; F4-W52 AromaticContact CZ-CZ3 3.99Å; F4-W52 HydrophobicContact CZ-CZ3 3.99Å; F4-L55 HydrophobicContact CE1-CD1 4.42Å; F4-C69 WeakPolarHBondContact O-CA 3.4Å; F4-A70 HydrophobicContact CD1-CB 3.94Å; F4-A70 HydrophobicContact CD2-CB 3.84Å; F4-A70 HydrophobicContact CE1-CB 3.53Å; F4-A70 HydrophobicContact CE2-CB 3.42Å; F4-A70 VanDerWaalsContact CE2-CB 3.42Å; F4-A70 HydrophobicContact CG-CB 4.1Å; F4-A70 HydrophobicContact CZ-CB 3.26Å; F4-A70 PolarHBondContact O-N 3.09Å
5M98.5Very high97.3Very high0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-122.7130.5173.7-176.2171.1-174.200110.3L7 Q17 K18 F67 V68 Y87 L114 L118M5-L7 HydrophobicContact CE-CD1 4.02Å; M5-L7 HydrophobicContact CG-CD1 4.35Å; M5-Q17 WeakPolarHBondContact O-CA 3.41Å; M5-K18 PolarHBondContact N-O 2.89Å; M5-K18 PolarHBondContact O-N 3.24Å; M5-F67 HydrophobicContact CE-CD1 3.95Å; M5-V68 CarbonylContact C-O 3.54Å; M5-V68 VanDerWaalsContact CA-O 3.29Å; M5-V68 WeakPolarHBondContact CA-O 3.23Å; M5-Y87 HydrophobicContact CE-CD1 3.43Å; M5-Y87 VanDerWaalsContact CE-CD1 3.43Å; M5-Y87 HydrophobicContact CE-CE1 3.94Å; M5-Y87 HydrophobicContact CE-CG 4.18Å; M5-Y87 HydrophobicContact SD-CD1 4.5Å; M5-L114 HydrophobicContact SD-CD1 3.73Å; M5-L114 HydrophobicContact SD-CD2 4.34Å; M5-L118 HydrophobicContact SD-CD1 4.22Å
6L98.5Very high97.3Very high0 Ų038.8 Ų38.80%018%0.182CC..EExtended strand (participates in β ladder)trans-126135.7-176.4-52.4173.3000110.2F4 F8 L16 Q17 W19 L32 I35 V68F4-L6 HydrophobicContact CD2-CD1 3.9Å; F4-L6 HydrophobicContact CD2-CD2 4.28Å; F4-L6 HydrophobicContact CD2-CG 3.84Å; F4-L6 HydrophobicContact CE2-CD1 3.82Å; F4-L6 HydrophobicContact CE2-CG 4.27Å; L6-F8 HydrophobicContact CB-CD1 4.33Å; L6-F8 HydrophobicContact CB-CE1 4.46Å; L6-L16 WeakPolarHBondContact CA-O 3.31Å; L6-Q17 HydrophobicContact CD2-CB 3.65Å; L6-W19 HydrophobicContact CD2-CH2 4.48Å; L6-W19 HydrophobicContact CD2-CZ2 4.08Å; L6-L32 HydrophobicContact CD1-CD1 3.99Å; L6-L32 HydrophobicContact CD2-CD1 4.1Å; L6-I35 HydrophobicContact CD1-CB 4.47Å; L6-I35 HydrophobicContact CD1-CG2 4.19Å; L6-V68 HydrophobicContact CB-CB 4.36Å; L6-V68 PolarHBondContact N-O 3.42Å; L6-V68 PolarHBondContact O-N 2.96Å
7L98.3Very high97.4Very high0 Ų040.7 Ų40.70%019%0.191CC..EExtended strand (participates in β ladder)trans-116.4129165-80.557.2000109.3M5 R15 L16 Y66 F67 Y87 I103M5-L7 HydrophobicContact CE-CD1 4.02Å; M5-L7 HydrophobicContact CG-CD1 4.35Å; L7-R15 HydrophobicContact CB-CB 4.23Å; L7-R15 PolarHBondContact O-N 2.93Å; L7-L16 HydrophobicContact CB-CB 3.99Å; L7-L16 HydrophobicContact CD1-CB 4.37Å; L7-L16 HydrophobicContact CD1-CD2 4.25Å; L7-L16 HydrophobicContact CD2-CB 4.16Å; L7-L16 HydrophobicContact CG-CB 4.41Å; L7-L16 PolarHBondContact N-O 3.42Å; L7-L16 PolarHBondContact O-N 3.46Å; L7-Y66 VanDerWaalsContact CA-O 3.3Å; L7-Y66 WeakPolarHBondContact CA-O 3.4Å; L7-F67 HydrophobicContact CD1-CD1 3.44Å; L7-F67 VanDerWaalsContact CD1-CD1 3.44Å; L7-F67 HydrophobicContact CD1-CE1 3.75Å; L7-F67 HydrophobicContact CD1-CG 4.13Å; L7-F67 HydrophobicContact CD2-CD1 4.01Å; L7-F67 HydrophobicContact CD2-CE1 3.42Å; L7-F67 VanDerWaalsContact CD2-CE1 3.42Å; L7-F67 HydrophobicContact CD2-CZ 3.7Å; L7-F67 HydrophobicContact CG-CD1 3.59Å; L7-F67 HydrophobicContact CG-CD2 4.46Å; L7-F67 HydrophobicContact CG-CE1 3.55Å; L7-F67 HydrophobicContact CG-CE2 4.41Å; L7-F67 HydrophobicContact CG-CG 4.06Å; L7-F67 HydrophobicContact CG-CZ 3.97Å; L7-Y87 HydrophobicContact CD2-CE1 4.46Å; L7-I103 HydrophobicContact CD2-CD1 4.27Å
8F98.3Very high97.4Very high0 Ų041.1 Ų41.10%019%0.192CC..EExtended strand (participates in β ladder)trans-144149.9172.751.6-93.6000112.2L6 K13 I36 V39 F40 Y66 V68L6-F8 HydrophobicContact CB-CD1 4.33Å; L6-F8 HydrophobicContact CB-CE1 4.46Å; F8-K13 CarbonylContact C-O 3.58Å; F8-K13 VanDerWaalsContact CA-O 3.23Å; F8-K13 WeakPolarHBondContact CA-O 3.45Å; F8-K13 WeakPolarHBondContact CB-O 3.48Å; F8-I36 HydrophobicContact CB-CD1 4.3Å; F8-I36 HydrophobicContact CB-CG1 4.49Å; F8-I36 HydrophobicContact CD1-CD1 4.21Å; F8-I36 HydrophobicContact CD1-CG1 3.68Å; F8-I36 HydrophobicContact CD2-CG1 3.92Å; F8-I36 HydrophobicContact CD2-CG2 4.45Å; F8-I36 HydrophobicContact CE1-CG1 3.73Å; F8-I36 HydrophobicContact CE2-CB 4.44Å; F8-I36 HydrophobicContact CE2-CG1 3.97Å; F8-I36 HydrophobicContact CE2-CG2 4.39Å; F8-I36 HydrophobicContact CG-CD1 4.11Å; F8-I36 HydrophobicContact CG-CG1 3.77Å; F8-I36 HydrophobicContact CZ-CB 4.48Å; F8-I36 HydrophobicContact CZ-CG1 3.88Å; F8-V39 HydrophobicContact CE2-CG1 4.33Å; F8-V39 HydrophobicContact CZ-CB 4.1Å; F8-V39 HydrophobicContact CZ-CG1 4.14Å; F8-V39 HydrophobicContact CZ-CG2 4.29Å; F8-F40 AromaticContact CD2-CE1 3.88Å; F8-F40 HydrophobicContact CD2-CE1 3.88Å; F8-F40 HydrophobicContact CD2-CZ 4.05Å; F8-F40 HydrophobicContact CE2-CD1 4.22Å; F8-F40 AromaticContact CE2-CE1 3.59Å; F8-F40 HydrophobicContact CE2-CE1 3.59Å; F8-F40 HydrophobicContact CE2-CZ 4.17Å; F8-Y66 HydrophobicContact CD2-CD2 4.24Å; F8-Y66 HydrophobicContact CD2-CG 4.29Å; F8-Y66 VanDerWaalsContact CE2-CB 3.47Å; F8-Y66 HydrophobicContact CE2-CD2 4.06Å; F8-Y66 AromaticContact CE2-CG 3.79Å; F8-Y66 HydrophobicContact CE2-CG 3.79Å; F8-Y66 HydrophobicContact CZ-CG 4.43Å; F8-Y66 PolarHBondContact N-O 3.02Å; F8-Y66 VanDerWaalsContact N-O 3.07Å; F8-Y66 PolarHBondContact O-N 3.48Å; F8-V68 HydrophobicContact CE1-CB 4.39Å; F8-V68 HydrophobicContact CE1-CG2 3.46Å; F8-V68 VanDerWaalsContact CE1-CG2 3.46Å; F8-V68 HydrophobicContact CZ-CG2 3.65Å
9S97.5Very high97.5Very high4 Ų441 Ų413%0.02819%0.189CC..EExtended strand (participates in β ladder)trans-75.3169.1179.380.20000112.1Q11 G12 K13 F40 S64 E100S9-Q11 PolarHBondContact O-N 3.41Å; S9-Q11 PolarHBondContact OG-N 3.4Å; S9-G12 PolarHBondContact O-N 3.44Å; S9-K13 PolarHBondContact N-O 3.31Å; S9-K13 PolarHBondContact OG-N 3.01Å; S9-F40 WeakPolarHBondContact O-CZ 3.45Å; S9-S64 CarbonylContact C-O 3.59Å; S9-S64 WeakPolarHBondContact CA-O 3.31Å; S9-E100 WeakPolarHBondContact CB-OE1 3.25Å
10R95.5Very high97.5Very high152 Ų15240.9 Ų40.957%0.57419%0.187SC*.THydrogen-bonded Turntrans-54.9-20.2169.8-70.9178.875.5170.81.1114.6G12 F40 S64 Y66R10-G12 VanDerWaalsContact C-N 3.33Å; R10-F40 WeakPolarHBondContact O-CZ 3.35Å; R10-S64 WeakPolarHBondContact CG-O 3.3Å; R10-S64 PolarHBondContact N-O 3.38Å; R10-Y66 HydrophobicContact CG-CE2 4.03Å
11Q95.4Very high97.4Very high146 Ų14640.4 Ų40.468%0.68219%0.189SC*.THydrogen-bonded Turntrans-90.51.8177.2-62177.10.600112.5S9 K13S9-Q11 PolarHBondContact O-N 3.41Å; S9-Q11 PolarHBondContact OG-N 3.4Å; Q11-K13 VanDerWaalsContact C-N 3.29Å; Q11-K13 HydrophobicContact CB-CG 4.42Å; Q11-K13 PolarHBondContact O-N 3.09Å
12G95.7Very high97.5Very high23 Ų2343.7 Ų43.724%0.23722%0.217CC..SBendtrans77.611.7-176.100000113.8S9 R10 V14S9-G12 PolarHBondContact O-N 3.44Å; R10-G12 VanDerWaalsContact C-N 3.33Å; G12-V14 PolarHBondContact O-N 3.24Å
13K97.2Very high97.4Very high112 Ų11245.6 Ų45.649%0.48723%0.225SC..  trans-78122.2174.8-64.1-173.8-179.9179.50109.3F8 S9 Q11F8-K13 CarbonylContact C-O 3.58Å; F8-K13 VanDerWaalsContact CA-O 3.23Å; F8-K13 WeakPolarHBondContact CA-O 3.45Å; F8-K13 WeakPolarHBondContact CB-O 3.48Å; S9-K13 PolarHBondContact N-O 3.31Å; S9-K13 PolarHBondContact OG-N 3.01Å; Q11-K13 VanDerWaalsContact C-N 3.29Å; Q11-K13 HydrophobicContact CB-CG 4.42Å; Q11-K13 PolarHBondContact O-N 3.09Å
14V98Very high97.4Very high47 Ų4748.7 Ų48.729%0.28524%0.244SC..EExtended strand (participates in β ladder)trans-72.4135.2177.6-1740000110.1G12 Q17 L32 I36G12-V14 PolarHBondContact O-N 3.24Å; V14-Q17 HydrophobicContact CG1-CB 4.23Å; V14-Q17 HydrophobicContact CG1-CG 4.22Å; V14-L32 HydrophobicContact CG1-CD1 4.49Å; V14-L32 HydrophobicContact CG2-CD1 3.67Å; V14-L32 HydrophobicContact CG2-CD2 3.52Å; V14-L32 HydrophobicContact CG2-CG 3.96Å; V14-I36 HydrophobicContact CG2-CD1 4.28Å
15R97.7Very high97.4Very high57 Ų5754 Ų5422%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-109.4-36.9176.3-53.6-49.1-177.6-174.77.1111.7L7 L65 E100 I103 I104L7-R15 HydrophobicContact CB-CB 4.23Å; L7-R15 PolarHBondContact O-N 2.93Å; R15-L65 HydrophobicContact CG-CD2 3.79Å; R15-E100 IonicContact CZ-OE1 3.36Å; R15-E100 VanDerWaalsContact CZ-OE1 3.29Å; R15-E100 IonicContact NE-OE1 3.77Å; R15-E100 PolarHBondContact NE-OE1 3.49Å; R15-E100 IonicContact NH2-OE1 3.99Å; R15-E100 PolarHBondContact NH2-OE1 2.6Å; R15-I103 HydrophobicContact CB-CG2 4.06Å; R15-I104 VanDerWaalsContact CZ-CD1 3.41Å
16L98.2Very high97.3Very high0 Ų062.4 Ų62.40%031%0.305CS..EExtended strand (participates in β ladder)trans-146.1142.3177.4-174.3147.1000109.5L6 L7 K18 A110 Y111 L114L6-L16 WeakPolarHBondContact CA-O 3.31Å; L7-L16 HydrophobicContact CB-CB 3.99Å; L7-L16 HydrophobicContact CD1-CB 4.37Å; L7-L16 HydrophobicContact CD1-CD2 4.25Å; L7-L16 HydrophobicContact CD2-CB 4.16Å; L7-L16 HydrophobicContact CG-CB 4.41Å; L7-L16 PolarHBondContact N-O 3.42Å; L7-L16 PolarHBondContact O-N 3.46Å; L16-K18 HydrophobicContact CD2-CB 4.17Å; L16-A110 HydrophobicContact CD1-CB 4.3Å; L16-Y111 HydrophobicContact CD1-CD1 4.12Å; L16-Y111 HydrophobicContact CD1-CD2 4.18Å; L16-Y111 HydrophobicContact CD1-CE1 4.15Å; L16-Y111 HydrophobicContact CD1-CE2 4.18Å; L16-Y111 HydrophobicContact CD1-CG 4.14Å; L16-Y111 HydrophobicContact CD2-CE1 4.28Å; L16-Y111 HydrophobicContact CG-CD1 4.24Å; L16-Y111 HydrophobicContact CG-CD2 4.48Å; L16-Y111 HydrophobicContact CG-CE1 3.75Å; L16-Y111 HydrophobicContact CG-CE2 4.01Å; L16-L114 HydrophobicContact CD1-CD2 4.15Å; L16-L114 HydrophobicContact CD2-CD2 3.69Å
17Q98Very high97.3Very high72 Ų7265.7 Ų65.734%0.33632%0.321SS..EExtended strand (participates in β ladder)trans-144.698.3171.849163.7-0.100110.3M5 L6 V14 W19 Y111M5-Q17 WeakPolarHBondContact O-CA 3.41Å; L6-Q17 HydrophobicContact CD2-CB 3.65Å; V14-Q17 HydrophobicContact CG1-CB 4.23Å; V14-Q17 HydrophobicContact CG1-CG 4.22Å; Q17-W19 VanDerWaalsContact OE1-NE1 3.14Å; Q17-Y111 PolarHBondContact N-OH 2.9Å
18K98.1Very high97.3Very high48 Ų4867.7 Ų67.721%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-98121.5175.2-169.374.4176.5-165.30109F4 M5 L16 Y20 Y111 L114 D115F4-K18 CarbonylContact C-O 3.49Å; F4-K18 WeakPolarHBondContact CA-O 3.35Å; F4-K18 VanDerWaalsContact CB-O 3.29Å; F4-K18 WeakPolarHBondContact CB-O 3.43Å; M5-K18 PolarHBondContact N-O 2.89Å; M5-K18 PolarHBondContact O-N 3.24Å; L16-K18 HydrophobicContact CD2-CB 4.17Å; K18-Y20 HydrophobicContact CD-CE1 4.44Å; K18-Y20 HydrophobicContact CG-CD1 4.27Å; K18-Y20 HydrophobicContact CG-CE1 3.64Å; K18-Y20 HydrophobicContact CG-CE2 4.03Å; K18-Y111 HydrophobicContact CD-CD1 4.31Å; K18-Y111 HydrophobicContact CD-CE1 4.4Å; K18-L114 HydrophobicContact CB-CD2 3.74Å; K18-L114 HydrophobicContact CG-CD2 4.04Å; K18-D115 WeakPolarHBondContact CE-OD1 3.46Å; K18-D115 IonicContact NZ-OD1 2.93Å; K18-D115 PolarHBondContact NZ-OD1 3.12Å; K18-D115 IonicContact NZ-OD2 2.63Å; K18-D115 PolarHBondContact NZ-OD2 3.49Å
19W98.2Very high97.2Very high39 Ų3974 Ų7415%0.14836%0.357CS..EExtended strand (participates in β ladder)trans-110112.4178.6-5888.5000108.2F4 L6 Q17 Y23 K28 Y31F4-W19 HydrophobicContact CB-CD2 4.04Å; F4-W19 HydrophobicContact CB-CE3 3.49Å; F4-W19 VanDerWaalsContact CB-CE3 3.49Å; F4-W19 HydrophobicContact CB-CZ3 3.92Å; F4-W19 AromaticContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CH2 4.47Å; F4-W19 AromaticContact CD1-CZ3 3.42Å; F4-W19 HydrophobicContact CD1-CZ3 3.42Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.42Å; F4-W19 HydrophobicContact CD2-CZ3 4.15Å; F4-W19 AromaticContact CE1-CZ3 3.88Å; F4-W19 HydrophobicContact CE1-CZ3 3.88Å; F4-W19 AromaticContact CG-CE3 3.69Å; F4-W19 HydrophobicContact CG-CE3 3.69Å; F4-W19 HydrophobicContact CG-CH2 4.36Å; F4-W19 AromaticContact CG-CZ3 3.57Å; F4-W19 HydrophobicContact CG-CZ3 3.57Å; F4-W19 HydrophobicContact CZ-CZ3 4.4Å; L6-W19 HydrophobicContact CD2-CH2 4.48Å; L6-W19 HydrophobicContact CD2-CZ2 4.08Å; Q17-W19 VanDerWaalsContact OE1-NE1 3.14Å; W19-Y23 HydrophobicContact CD2-CD2 4.27Å; W19-Y23 AromaticContact CE3-CD2 3.39Å; W19-Y23 HydrophobicContact CE3-CD2 3.39Å; W19-Y23 AromaticContact CE3-CE2 3.68Å; W19-Y23 HydrophobicContact CE3-CE2 3.68Å; W19-Y23 HydrophobicContact CE3-CG 4.33Å; W19-Y23 AromaticContact CZ3-CD2 3.96Å; W19-Y23 HydrophobicContact CZ3-CD2 3.96Å; W19-Y23 HydrophobicContact CZ3-CE2 4.15Å; W19-K28 HydrophobicContact CD2-CD 4.09Å; W19-K28 HydrophobicContact CD2-CG 3.82Å; W19-K28 HydrophobicContact CE3-CG 4.18Å; W19-K28 HydrophobicContact CG-CD 4.12Å; W19-K28 HydrophobicContact CG-CG 4.35Å; W19-K28 HydrophobicContact CH2-CB 4.07Å; W19-K28 HydrophobicContact CH2-CG 4.18Å; W19-K28 HydrophobicContact CZ2-CB 3.61Å; W19-K28 HydrophobicContact CZ2-CD 4.46Å; W19-K28 HydrophobicContact CZ2-CG 3.81Å; W19-K28 HydrophobicContact CZ3-CG 4.35Å; W19-Y31 HydrophobicContact CH2-CD2 4.46Å; W19-Y31 HydrophobicContact CZ3-CD2 4.14Å
20Y97.9Very high97.3Very high39 Ų3978.9 Ų78.915%0.15338%0.378CS..  trans-89.5-25.9178.9-60.3-70.9000111.8I2 N3 K18 L118 G121I2-Y20 HydrophobicContact CB-CD2 4.34Å; I2-Y20 HydrophobicContact CB-CE2 4.46Å; I2-Y20 HydrophobicContact CG2-CD2 3.92Å; I2-Y20 HydrophobicContact CG2-CE2 3.9Å; I2-Y20 WeakPolarHBondContact O-CB 3.41Å; I2-Y20 WeakPolarHBondContact O-CD2 3.41Å; N3-Y20 PolarHBondContact O-N 3.35Å; K18-Y20 HydrophobicContact CD-CE1 4.44Å; K18-Y20 HydrophobicContact CG-CD1 4.27Å; K18-Y20 HydrophobicContact CG-CE1 3.64Å; K18-Y20 HydrophobicContact CG-CE2 4.03Å; Y20-L118 WeakPolarHBondContact OH-CB 3.32Å; Y20-G121 VanDerWaalsContact CG-CA 3.48Å
21S95.9Very high97.4Very high31 Ų3172.9 Ų72.922%0.21736%0.355CS..SBendtrans-94.9153.5169.1-750000112.2M1 N3 Y23M1-S21 WeakPolarHBondContact CE-OG 3.47Å; N3-S21 PolarHBondContact O-N 3.13Å; N3-S21 PolarHBondContact OD1-OG 3.12Å; S21-Y23 WeakPolarHBondContact O-CD2 3.21Å; S21-Y23 PolarHBondContact O-N 3.48Å
22S95.9Very high97.5Very high127 Ų12767.2 Ų67.289%0.88833%0.329SS*.  trans-78.1117.3179.8-67.90000110.9
23Y96.5Very high97.6Very high47 Ų4774.7 Ų74.718%0.18435%0.35CS..  trans-131.7148.9174.7-57.2-74.7000110.5N3 F4 W19 S21 K28 Y31N3-Y23 PolarHBondContact OD1-OH 2.9Å; N3-Y23 VanDerWaalsContact OD1-OH 3.1Å; F4-Y23 HydrophobicContact CD1-CE2 4.02Å; W19-Y23 HydrophobicContact CD2-CD2 4.27Å; W19-Y23 AromaticContact CE3-CD2 3.39Å; W19-Y23 HydrophobicContact CE3-CD2 3.39Å; W19-Y23 AromaticContact CE3-CE2 3.68Å; W19-Y23 HydrophobicContact CE3-CE2 3.68Å; W19-Y23 HydrophobicContact CE3-CG 4.33Å; W19-Y23 AromaticContact CZ3-CD2 3.96Å; W19-Y23 HydrophobicContact CZ3-CD2 3.96Å; W19-Y23 HydrophobicContact CZ3-CE2 4.15Å; S21-Y23 WeakPolarHBondContact O-CD2 3.21Å; S21-Y23 PolarHBondContact O-N 3.48Å; Y23-K28 VanDerWaalsContact O-CE 3.32Å; Y23-K28 WeakPolarHBondContact O-CE 3.41Å; Y23-Y31 HydrophobicContact CD1-CD2 4.41Å; Y23-Y31 AromaticContact CD1-CE2 3.67Å; Y23-Y31 HydrophobicContact CD1-CE2 3.67Å; Y23-Y31 AromaticContact CE1-CE2 3.8Å; Y23-Y31 HydrophobicContact CE1-CE2 3.8Å; Y23-Y31 HydrophobicContact CG-CE2 4.33Å
24T98Very high97.6Very high79 Ų7972.5 Ų72.549%0.48534%0.342SS..  trans-68.7153.7171.165.40000110.8K26 E27 K28T24-K26 PolarHBondContact O-N 2.85Å; T24-K26 VanDerWaalsContact O-N 3.12Å; T24-E27 WeakPolarHBondContact CB-OE2 3.5Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.12Å; T24-E27 PolarHBondContact N-OE2 3.12Å; T24-E27 WeakPolarHBondContact O-CB 3.14Å; T24-E27 PolarHBondContact O-N 3.42Å; T24-E27 WeakPolarHBondContact OG1-CB 3.33Å; T24-E27 VanDerWaalsContact OG1-CD 3.23Å; T24-E27 VanDerWaalsContact OG1-CG 3.24Å; T24-E27 WeakPolarHBondContact OG1-CG 3.21Å; T24-E27 PolarHBondContact OG1-N 3.36Å; T24-E27 PolarHBondContact OG1-OE2 3.04Å; T24-K28 WeakPolarHBondContact O-CG 3.4Å; T24-K28 PolarHBondContact O-N 3.22Å
25E97.3Very high97.6Very high110 Ų11070.3 Ų70.351%0.51433%0.328SS..Hα-helixtrans-57.8-29.1175.9-71.7-56.9125.800113K28 K29E25-K28 WeakPolarHBondContact OE1-CD 3.49Å; E25-K28 IonicContact OE1-NZ 2.81Å; E25-K28 PolarHBondContact OE1-NZ 3.25Å; E25-K29 WeakPolarHBondContact O-CB 3.44Å; E25-K29 VanDerWaalsContact O-CG 3.32Å; E25-K29 WeakPolarHBondContact O-CG 3.42Å; E25-K29 PolarHBondContact O-N 2.64Å; E25-K29 VanDerWaalsContact O-N 3.17Å
26K97.9Very high97.6Very high177 Ų17768.5 Ų68.577%0.7732%0.323SS*.Hα-helixtrans-68.6-43.4174.8-173.1179.2177.7-176.70111.5T24 K30T24-K26 PolarHBondContact O-N 2.85Å; T24-K26 VanDerWaalsContact O-N 3.12Å; K26-K30 WeakPolarHBondContact O-CB 3.25Å; K26-K30 PolarHBondContact O-N 2.85Å
27E97.6Very high97.6Very high70 Ų7072.3 Ų72.333%0.32735%0.35SS..Hα-helixtrans-66-48.3176.2-73.4162.2144.700111.1T24 K29 K30 Y31T24-E27 WeakPolarHBondContact CB-OE2 3.5Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.12Å; T24-E27 PolarHBondContact N-OE2 3.12Å; T24-E27 WeakPolarHBondContact O-CB 3.14Å; T24-E27 PolarHBondContact O-N 3.42Å; T24-E27 WeakPolarHBondContact OG1-CB 3.33Å; T24-E27 VanDerWaalsContact OG1-CD 3.23Å; T24-E27 VanDerWaalsContact OG1-CG 3.24Å; T24-E27 WeakPolarHBondContact OG1-CG 3.21Å; T24-E27 PolarHBondContact OG1-N 3.36Å; T24-E27 PolarHBondContact OG1-OE2 3.04Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 3.48Å; E27-K30 CarbonylContact O-C 3.56Å; E27-K30 WeakPolarHBondContact O-CA 3.45Å; E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 3.26Å; E27-Y31 HydrophobicContact CB-CD2 4.4Å; E27-Y31 HydrophobicContact CB-CE2 3.94Å; E27-Y31 WeakPolarHBondContact O-CB 3.32Å; E27-Y31 VanDerWaalsContact O-CG 3.23Å; E27-Y31 PolarHBondContact O-N 2.81Å
28K98.1Very high97.5Very high42 Ų4272.2 Ų72.218%0.18335%0.351CS..Hα-helixtrans-52.2-49.1176.8-66.5-179.9-173.4167.40111.8W19 Y23 T24 E25 K30 Y31 L32W19-K28 HydrophobicContact CD2-CD 4.09Å; W19-K28 HydrophobicContact CD2-CG 3.82Å; W19-K28 HydrophobicContact CE3-CG 4.18Å; W19-K28 HydrophobicContact CG-CD 4.12Å; W19-K28 HydrophobicContact CG-CG 4.35Å; W19-K28 HydrophobicContact CH2-CB 4.07Å; W19-K28 HydrophobicContact CH2-CG 4.18Å; W19-K28 HydrophobicContact CZ2-CB 3.61Å; W19-K28 HydrophobicContact CZ2-CD 4.46Å; W19-K28 HydrophobicContact CZ2-CG 3.81Å; W19-K28 HydrophobicContact CZ3-CG 4.35Å; Y23-K28 VanDerWaalsContact O-CE 3.32Å; Y23-K28 WeakPolarHBondContact O-CE 3.41Å; T24-K28 WeakPolarHBondContact O-CG 3.4Å; T24-K28 PolarHBondContact O-N 3.22Å; E25-K28 WeakPolarHBondContact OE1-CD 3.49Å; E25-K28 IonicContact OE1-NZ 2.81Å; E25-K28 PolarHBondContact OE1-NZ 3.25Å; K28-K30 VanDerWaalsContact C-N 3.33Å; K28-K30 PolarHBondContact O-N 3Å; K28-Y31 PolarHBondContact O-N 3.36Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 PolarHBondContact O-N 3.18Å
29K97.5Very high97.5Very high133 Ų13370 Ų7058%0.57834%0.342SS*.Hα-helixtrans-66.2-30.3177.1-72.1176.8-176.4178.50113.8E25 E27 R33E25-K29 WeakPolarHBondContact O-CB 3.44Å; E25-K29 VanDerWaalsContact O-CG 3.32Å; E25-K29 WeakPolarHBondContact O-CG 3.42Å; E25-K29 PolarHBondContact O-N 2.64Å; E25-K29 VanDerWaalsContact O-N 3.17Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 3.48Å; K29-R33 WeakPolarHBondContact O-CG 3.45Å; K29-R33 PolarHBondContact O-NE 3.17Å; K29-R33 VanDerWaalsContact O-NE 3.12Å
30K97.9Very high97.4Very high105 Ų10571.8 Ų71.846%0.45735%0.35SS..Hα-helixtrans-70.5-55.1174.5179.7-170.5169.4-167.40109.6K26 E27 K28 L32 R33 E34K26-K30 WeakPolarHBondContact O-CB 3.25Å; K26-K30 PolarHBondContact O-N 2.85Å; E27-K30 CarbonylContact O-C 3.56Å; E27-K30 WeakPolarHBondContact O-CA 3.45Å; E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 3.26Å; K28-K30 VanDerWaalsContact C-N 3.33Å; K28-K30 PolarHBondContact O-N 3Å; K30-L32 PolarHBondContact O-N 3.34Å; K30-R33 PolarHBondContact O-N 3.25Å; K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 PolarHBondContact O-N 3.04Å
31Y97.9Very high97.3Very high27 Ų2773.9 Ų73.911%0.10638%0.376CS..Hα-helixtrans-60.3-45.5-176.9-61.2-14.4000111.3W19 Y23 E27 K28 R33 E34 I35 W52W19-Y31 HydrophobicContact CH2-CD2 4.46Å; W19-Y31 HydrophobicContact CZ3-CD2 4.14Å; Y23-Y31 HydrophobicContact CD1-CD2 4.41Å; Y23-Y31 AromaticContact CD1-CE2 3.67Å; Y23-Y31 HydrophobicContact CD1-CE2 3.67Å; Y23-Y31 AromaticContact CE1-CE2 3.8Å; Y23-Y31 HydrophobicContact CE1-CE2 3.8Å; Y23-Y31 HydrophobicContact CG-CE2 4.33Å; E27-Y31 HydrophobicContact CB-CD2 4.4Å; E27-Y31 HydrophobicContact CB-CE2 3.94Å; E27-Y31 WeakPolarHBondContact O-CB 3.32Å; E27-Y31 VanDerWaalsContact O-CG 3.23Å; E27-Y31 PolarHBondContact O-N 2.81Å; K28-Y31 PolarHBondContact O-N 3.36Å; Y31-R33 VanDerWaalsContact C-N 3.35Å; Y31-R33 PolarHBondContact O-N 3.04Å; Y31-E34 PolarHBondContact O-N 3.19Å; Y31-I35 WeakPolarHBondContact O-CB 3.49Å; Y31-I35 VanDerWaalsContact O-CG1 3.25Å; Y31-I35 WeakPolarHBondContact O-CG1 3.47Å; Y31-I35 PolarHBondContact O-N 3.48Å; Y31-W52 AromaticContact CD1-CH2 3.5Å; Y31-W52 HydrophobicContact CD1-CH2 3.5Å; Y31-W52 VanDerWaalsContact CD1-CH2 3.5Å; Y31-W52 AromaticContact CD1-CZ2 3.74Å; Y31-W52 HydrophobicContact CD1-CZ2 3.74Å; Y31-W52 HydrophobicContact CD2-CH2 4.06Å; Y31-W52 AromaticContact CE1-CH2 3.96Å; Y31-W52 HydrophobicContact CE1-CH2 3.96Å; Y31-W52 HydrophobicContact CE1-CZ2 4.31Å; Y31-W52 HydrophobicContact CE2-CH2 4.45Å; Y31-W52 AromaticContact CG-CH2 3.57Å; Y31-W52 HydrophobicContact CG-CH2 3.57Å; Y31-W52 HydrophobicContact CG-CZ2 4.15Å
32L98Very high97.3Very high26 Ų2674.8 Ų74.814%0.13638%0.375CS..Hα-helixtrans-54.7-48.2176.2-177.369.6000112.4L6 V14 K28 K30 I36L6-L32 HydrophobicContact CD1-CD1 3.99Å; L6-L32 HydrophobicContact CD2-CD1 4.1Å; V14-L32 HydrophobicContact CG1-CD1 4.49Å; V14-L32 HydrophobicContact CG2-CD1 3.67Å; V14-L32 HydrophobicContact CG2-CD2 3.52Å; V14-L32 HydrophobicContact CG2-CG 3.96Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 PolarHBondContact O-N 3.18Å; K30-L32 PolarHBondContact O-N 3.34Å; L32-I36 HydrophobicContact CD1-CD1 4Å; L32-I36 HydrophobicContact CG-CD1 3.96Å; L32-I36 WeakPolarHBondContact O-CB 3.33Å; L32-I36 WeakPolarHBondContact O-CD1 3.34Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.48Å
33R97.6Very high97.1Very high180 Ų18075.8 Ų75.868%0.67936%0.363SS*.Hα-helixtrans-65.5-42.3178.4-76.3-174.7-68155.5-1.9112.2K29 K30 Y31 S37K29-R33 WeakPolarHBondContact O-CG 3.45Å; K29-R33 PolarHBondContact O-NE 3.17Å; K29-R33 VanDerWaalsContact O-NE 3.12Å; K30-R33 PolarHBondContact O-N 3.25Å; Y31-R33 VanDerWaalsContact C-N 3.35Å; Y31-R33 PolarHBondContact O-N 3.04Å; R33-S37 WeakPolarHBondContact O-CB 3.24Å; R33-S37 PolarHBondContact O-N 3.37Å
34E97.5Very high96.8Very high66 Ų6679.8 Ų79.831%0.30840%0.395SS..Hα-helixtrans-64.5-48.9-178.8-164.6172.9157.900111.2K30 Y31 S37 L38 W52K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 PolarHBondContact O-N 3.04Å; Y31-E34 PolarHBondContact O-N 3.19Å; E34-S37 PolarHBondContact O-N 3.08Å; E34-L38 HydrophobicContact CG-CD1 4.29Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 VanDerWaalsContact O-CG 3.31Å; E34-L38 WeakPolarHBondContact O-CG 3.37Å; E34-L38 PolarHBondContact O-N 2.63Å; E34-W52 VanDerWaalsContact CD-NE1 3.26Å; E34-W52 PolarHBondContact OE1-NE1 3.44Å
35I97.9Very high96.4Very high1 Ų186.2 Ų86.21%0.00542%0.416CS..Hα-helixtrans-63.1-45.9177.8-65.8-59.9000111.6F4 L6 Y31 S37 L38 V39 W52 I57 V68F4-I35 HydrophobicContact CE2-CG1 4.46Å; F4-I35 HydrophobicContact CZ-CG1 4.48Å; L6-I35 HydrophobicContact CD1-CB 4.47Å; L6-I35 HydrophobicContact CD1-CG2 4.19Å; Y31-I35 WeakPolarHBondContact O-CB 3.49Å; Y31-I35 VanDerWaalsContact O-CG1 3.25Å; Y31-I35 WeakPolarHBondContact O-CG1 3.47Å; Y31-I35 PolarHBondContact O-N 3.48Å; I35-S37 VanDerWaalsContact C-N 3.3Å; I35-S37 PolarHBondContact O-N 3.43Å; I35-L38 HydrophobicContact CD1-CD1 4.47Å; I35-L38 PolarHBondContact O-N 2.85Å; I35-V39 HydrophobicContact CG2-CG2 4.31Å; I35-V39 WeakPolarHBondContact O-CB 3.45Å; I35-V39 WeakPolarHBondContact O-CG2 3.49Å; I35-V39 PolarHBondContact O-N 2.85Å; I35-W52 HydrophobicContact CD1-CD2 3.66Å; I35-W52 HydrophobicContact CD1-CE3 3.98Å; I35-W52 HydrophobicContact CD1-CG 3.96Å; I35-W52 HydrophobicContact CD1-CZ2 4.33Å; I35-W52 HydrophobicContact CD1-CZ3 4.43Å; I35-I57 HydrophobicContact CD1-CD1 3.53Å; I35-I57 HydrophobicContact CD1-CG1 3.7Å; I35-V68 HydrophobicContact CG2-CG1 3.86Å
36I97.9Very high96.3Very high20 Ų2085.4 Ų85.410%0.10341%0.413CS..Hα-helixtrans-58.4-45.7176.7-70.9169.8000110.3F8 V14 L32 L38 V39 F40F8-I36 HydrophobicContact CB-CD1 4.3Å; F8-I36 HydrophobicContact CB-CG1 4.49Å; F8-I36 HydrophobicContact CD1-CD1 4.21Å; F8-I36 HydrophobicContact CD1-CG1 3.68Å; F8-I36 HydrophobicContact CD2-CG1 3.92Å; F8-I36 HydrophobicContact CD2-CG2 4.45Å; F8-I36 HydrophobicContact CE1-CG1 3.73Å; F8-I36 HydrophobicContact CE2-CB 4.44Å; F8-I36 HydrophobicContact CE2-CG1 3.97Å; F8-I36 HydrophobicContact CE2-CG2 4.39Å; F8-I36 HydrophobicContact CG-CD1 4.11Å; F8-I36 HydrophobicContact CG-CG1 3.77Å; F8-I36 HydrophobicContact CZ-CB 4.48Å; F8-I36 HydrophobicContact CZ-CG1 3.88Å; V14-I36 HydrophobicContact CG2-CD1 4.28Å; L32-I36 HydrophobicContact CD1-CD1 4Å; L32-I36 HydrophobicContact CG-CD1 3.96Å; L32-I36 WeakPolarHBondContact O-CB 3.33Å; L32-I36 WeakPolarHBondContact O-CD1 3.34Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.48Å; I36-L38 PolarHBondContact O-N 3.18Å; I36-V39 PolarHBondContact O-N 2.9Å; I36-F40 HydrophobicContact CG2-CD2 3.89Å; I36-F40 HydrophobicContact CG2-CE1 4.41Å; I36-F40 HydrophobicContact CG2-CE2 3.64Å; I36-F40 HydrophobicContact CG2-CG 4.37Å; I36-F40 HydrophobicContact CG2-CZ 3.92Å; I36-F40 WeakPolarHBondContact O-CB 3.41Å; I36-F40 WeakPolarHBondContact O-CG 3.41Å; I36-F40 PolarHBondContact O-N 3.38Å
37S97.4Very high96.2Very high80 Ų8080.1 Ų80.156%0.55940%0.398SS*.Hα-helixtrans-62.4-43.3178.2-171.60000112.1R33 E34 I35 F40 A41R33-S37 WeakPolarHBondContact O-CB 3.24Å; R33-S37 PolarHBondContact O-N 3.37Å; E34-S37 PolarHBondContact O-N 3.08Å; I35-S37 VanDerWaalsContact C-N 3.3Å; I35-S37 PolarHBondContact O-N 3.43Å; S37-F40 PolarHBondContact O-N 2.88Å; S37-A41 WeakPolarHBondContact O-CB 3.2Å; S37-A41 PolarHBondContact O-N 2.63Å; S37-A41 VanDerWaalsContact O-N 3.09Å
38L96.9Very high96.2Very high69 Ų6978.7 Ų78.736%0.36140%0.396SS..Hα-helixtrans-63.3-46.6178.7-76.3168.7000111.7E34 I35 I36 A41 R42 W52E34-L38 HydrophobicContact CG-CD1 4.29Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 VanDerWaalsContact O-CG 3.31Å; E34-L38 WeakPolarHBondContact O-CG 3.37Å; E34-L38 PolarHBondContact O-N 2.63Å; I35-L38 HydrophobicContact CD1-CD1 4.47Å; I35-L38 PolarHBondContact O-N 2.85Å; I36-L38 PolarHBondContact O-N 3.18Å; L38-A41 PolarHBondContact O-N 3.16Å; L38-R42 WeakPolarHBondContact O-CG 3.16Å; L38-W52 HydrophobicContact CD1-CG 4.16Å
39V97.1Very high96.1Very high3 Ų379.4 Ų79.42%0.01840%0.399CS..Hα-helixtrans-65.9-40.6179.5172.90000111.2F8 I35 I36 A41 R42 Y59 Y66 V68F8-V39 HydrophobicContact CE2-CG1 4.33Å; F8-V39 HydrophobicContact CZ-CB 4.1Å; F8-V39 HydrophobicContact CZ-CG1 4.14Å; F8-V39 HydrophobicContact CZ-CG2 4.29Å; I35-V39 HydrophobicContact CG2-CG2 4.31Å; I35-V39 WeakPolarHBondContact O-CB 3.45Å; I35-V39 WeakPolarHBondContact O-CG2 3.49Å; I35-V39 PolarHBondContact O-N 2.85Å; I36-V39 PolarHBondContact O-N 2.9Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.32Å; V39-R42 WeakPolarHBondContact O-CB 3.42Å; V39-R42 PolarHBondContact O-N 3.16Å; V39-Y59 HydrophobicContact CG1-CD2 3.94Å; V39-Y59 HydrophobicContact CG1-CE2 4.23Å; V39-Y59 HydrophobicContact CG1-CG 4.22Å; V39-Y59 HydrophobicContact CG2-CD1 4.16Å; V39-Y59 HydrophobicContact CG2-CG 4.19Å; V39-Y66 HydrophobicContact CG1-CD1 3.39Å; V39-Y66 HydrophobicContact CG1-CE1 3.68Å; V39-Y66 HydrophobicContact CG1-CG 4.18Å; V39-V68 HydrophobicContact CG2-CG2 4.24Å
40F96.1Very high96.1Very high75 Ų7574.8 Ų74.833%0.32938%0.38SS..Hα-helixtrans-69.9-27.4179.1-75.81.6000114.1F8 S9 R10 I36 S37 R42 Y66F8-F40 AromaticContact CD2-CE1 3.88Å; F8-F40 HydrophobicContact CD2-CE1 3.88Å; F8-F40 HydrophobicContact CD2-CZ 4.05Å; F8-F40 HydrophobicContact CE2-CD1 4.22Å; F8-F40 AromaticContact CE2-CE1 3.59Å; F8-F40 HydrophobicContact CE2-CE1 3.59Å; F8-F40 HydrophobicContact CE2-CZ 4.17Å; S9-F40 WeakPolarHBondContact O-CZ 3.45Å; R10-F40 WeakPolarHBondContact O-CZ 3.35Å; I36-F40 HydrophobicContact CG2-CD2 3.89Å; I36-F40 HydrophobicContact CG2-CE1 4.41Å; I36-F40 HydrophobicContact CG2-CE2 3.64Å; I36-F40 HydrophobicContact CG2-CG 4.37Å; I36-F40 HydrophobicContact CG2-CZ 3.92Å; I36-F40 WeakPolarHBondContact O-CB 3.41Å; I36-F40 WeakPolarHBondContact O-CG 3.41Å; I36-F40 PolarHBondContact O-N 3.38Å; S37-F40 PolarHBondContact O-N 2.88Å; F40-R42 PolarHBondContact O-N 2.85Å; F40-Y66 HydrophobicContact CD1-CE2 4.24Å; F40-Y66 AromaticContact CE1-CD2 3.86Å; F40-Y66 HydrophobicContact CE1-CD2 3.86Å; F40-Y66 AromaticContact CE1-CE2 3.68Å; F40-Y66 HydrophobicContact CE1-CE2 3.68Å
41A96Very high96Very high83 Ų8375.9 Ų75.969%0.68639%0.387SS*.THydrogen-bonded Turntrans-68.4-12.3174.800000113S37 L38 V39S37-A41 WeakPolarHBondContact O-CB 3.2Å; S37-A41 PolarHBondContact O-N 2.63Å; S37-A41 VanDerWaalsContact O-N 3.09Å; L38-A41 PolarHBondContact O-N 3.16Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.32Å
42R95.6Very high96Very high51 Ų5175.1 Ų75.119%0.19238%0.384CS..SBendtrans-85.8142.9-175-57.5-158.971.5174.519.8113.6L38 V39 F40 M46 C47 F49 L50 Y59L38-R42 WeakPolarHBondContact O-CG 3.16Å; V39-R42 WeakPolarHBondContact O-CB 3.42Å; V39-R42 PolarHBondContact O-N 3.16Å; F40-R42 PolarHBondContact O-N 2.85Å; R42-M46 HydrophobicContact CB-SD 4.04Å; R42-M46 HydrophobicContact CG-SD 4.39Å; R42-C47 PolarHBondContact NH1-O 3.02Å; R42-C47 PolarHBondContact NH2-O 2.98Å; R42-F49 PolarHBondContact NH1-O 3.38Å; R42-L50 VanDerWaalsContact CZ-CD2 3.46Å; R42-Y59 WeakPolarHBondContact CD-OH 3.22Å; R42-Y59 PolarHBondContact NE-OH 3.17Å; R42-Y59 VanDerWaalsContact NH1-CE1 3.29Å; R42-Y59 PolarHBondContact NH1-OH 3.38Å
43K93.2Very high95.8Very high148 Ų14878.4 Ų78.464%0.64340%0.399SS*.  trans-82.1150173.1-62.3179.8-178.11770110.4K45 M46K43-K45 PolarHBondContact O-N 2.92Å; K43-M46 HydrophobicContact CB-CE 4.38Å; K43-M46 HydrophobicContact CB-CG 4.15Å; K43-M46 HydrophobicContact CB-SD 4.25Å; K43-M46 HydrophobicContact CD-CE 4.39Å; K43-M46 HydrophobicContact CG-CE 4.33Å; K43-M46 PolarHBondContact N-SD 3.06Å; K43-M46 VanDerWaalsContact N-SD 3.44Å; K43-M46 WeakPolarHBondContact O-CB 3.24Å; K43-M46 PolarHBondContact O-N 3.43Å
44P89.1Confident95.7Very high131 Ų13176.6 Ų76.685%0.85140%0.403SS*.THydrogen-bonded Turntrans-57.1-23.9-175-2935.6000117.1
45K90.5Very high95.7Very high214 Ų21474.4 Ų74.493%0.9339%0.393SS*.THydrogen-bonded Turntrans-94.51.7179.7-64.6-172177.8-175.10113.9K43K43-K45 PolarHBondContact O-N 2.92Å
46M95.1Very high95.7Very high92 Ų9275 Ų7545%0.45340%0.395SS..SBendtrans-72.5161.1176-69.7-176.6162.900110.4R42 K43R42-M46 HydrophobicContact CB-SD 4.04Å; R42-M46 HydrophobicContact CG-SD 4.39Å; K43-M46 HydrophobicContact CB-CE 4.38Å; K43-M46 HydrophobicContact CB-CG 4.15Å; K43-M46 HydrophobicContact CB-SD 4.25Å; K43-M46 HydrophobicContact CD-CE 4.39Å; K43-M46 HydrophobicContact CG-CE 4.33Å; K43-M46 PolarHBondContact N-SD 3.06Å; K43-M46 VanDerWaalsContact N-SD 3.44Å; K43-M46 WeakPolarHBondContact O-CB 3.24Å; K43-M46 PolarHBondContact O-N 3.43Å
47C95.6Very high95.7Very high67 Ų6774 Ų7445%0.45339%0.39SS..  trans-51158.2174.6-175.10000111.4R42 F49 Y59R42-C47 PolarHBondContact NH1-O 3.02Å; R42-C47 PolarHBondContact NH2-O 2.98Å; C47-F49 VanDerWaalsContact C-N 3.29Å; C47-F49 WeakPolarHBondContact SG-CD2 3.21Å; C47-F49 PolarHBondContact SG-N 2.91Å; C47-F49 VanDerWaalsContact SG-N 3.41Å; C47-Y59 PolarHBondContact O-OH 2.97Å; C47-Y59 VanDerWaalsContact O-OH 3.08Å
48S96.4Very high95.8Very high40 Ų4070.2 Ų70.228%0.2836%0.364SS..SBendtrans-88.2-0.9175.7-57.30000112.8Y59S48-Y59 WeakPolarHBondContact CB-O 3.29Å; S48-Y59 WeakPolarHBondContact O-CD1 3.32Å; S48-Y59 PolarHBondContact O-N 3.12Å
49F97.5Very high95.9Very high56 Ų5667.9 Ų67.925%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-116.7149.1-174.8-38.8-49.3000110.6R42 C47 I57 V58 E77 L78 L81R42-F49 PolarHBondContact NH1-O 3.38Å; C47-F49 VanDerWaalsContact C-N 3.29Å; C47-F49 WeakPolarHBondContact SG-CD2 3.21Å; C47-F49 PolarHBondContact SG-N 2.91Å; C47-F49 VanDerWaalsContact SG-N 3.41Å; F49-I57 CarbonylContact C-O 3.58Å; F49-I57 VanDerWaalsContact CA-O 3.29Å; F49-I57 WeakPolarHBondContact CA-O 3.22Å; F49-V58 HydrophobicContact CD1-CB 4.29Å; F49-V58 HydrophobicContact CD1-CG1 3.91Å; F49-V58 HydrophobicContact CD1-CG2 3.94Å; F49-V58 HydrophobicContact CE1-CG1 3.85Å; F49-V58 HydrophobicContact CE1-CG2 4.45Å; F49-E77 HydrophobicContact CB-CG 4.47Å; F49-E77 HydrophobicContact CD1-CB 3.61Å; F49-E77 HydrophobicContact CD1-CG 4.2Å; F49-E77 HydrophobicContact CD2-CB 4.1Å; F49-E77 HydrophobicContact CD2-CG 4.43Å; F49-E77 HydrophobicContact CE1-CB 3.62Å; F49-E77 HydrophobicContact CE2-CB 4.13Å; F49-E77 HydrophobicContact CG-CB 3.88Å; F49-E77 HydrophobicContact CG-CG 4.1Å; F49-E77 HydrophobicContact CZ-CB 3.9Å; F49-L78 HydrophobicContact CE2-CD2 4.26Å; F49-L78 HydrophobicContact CZ-CD2 3.83Å; F49-L81 HydrophobicContact CE1-CD2 4.45Å; F49-L81 HydrophobicContact CZ-CD2 4.44Å
50L96.5Very high95.9Very high37 Ų3771.7 Ų71.719%0.19436%0.364CS..EExtended strand (participates in β ladder)trans-144.4142.6177.4-66.7164.9000109.5R42 K56 I57 Y59R42-L50 VanDerWaalsContact CZ-CD2 3.46Å; L50-K56 CarbonylContact O-C 3.58Å; L50-K56 WeakPolarHBondContact O-CA 3.37Å; L50-I57 HydrophobicContact CB-CB 4.15Å; L50-I57 PolarHBondContact N-O 3.22Å; L50-I57 PolarHBondContact O-N 3Å; L50-Y59 HydrophobicContact CD1-CD1 4.38Å; L50-Y59 HydrophobicContact CD1-CE1 4.14Å; L50-Y59 HydrophobicContact CG-CE1 4.42Å
51E96.5Very high95.9Very high127 Ų12773.1 Ų73.159%0.59337%0.367SS*.EExtended strand (participates in β ladder)trans-81.6131.9163.4-63.7-58.8151.200109.3Q73E51-Q73 PolarHBondContact OE2-NE2 3.17Å; E51-Q73 PolarHBondContact OE2-OE1 3.25Å
52W97.1Very high95.9Very high12 Ų1271.4 Ų71.45%0.04534%0.344CS..EExtended strand (participates in β ladder)trans-147.4113177.1179.171.3000110.7F4 Y31 E34 I35 L38 D54 L55 I57F4-W52 HydrophobicContact CE1-CZ3 4.28Å; F4-W52 AromaticContact CZ-CZ3 3.99Å; F4-W52 HydrophobicContact CZ-CZ3 3.99Å; Y31-W52 AromaticContact CD1-CH2 3.5Å; Y31-W52 HydrophobicContact CD1-CH2 3.5Å; Y31-W52 VanDerWaalsContact CD1-CH2 3.5Å; Y31-W52 AromaticContact CD1-CZ2 3.74Å; Y31-W52 HydrophobicContact CD1-CZ2 3.74Å; Y31-W52 HydrophobicContact CD2-CH2 4.06Å; Y31-W52 AromaticContact CE1-CH2 3.96Å; Y31-W52 HydrophobicContact CE1-CH2 3.96Å; Y31-W52 HydrophobicContact CE1-CZ2 4.31Å; Y31-W52 HydrophobicContact CE2-CH2 4.45Å; Y31-W52 AromaticContact CG-CH2 3.57Å; Y31-W52 HydrophobicContact CG-CH2 3.57Å; Y31-W52 HydrophobicContact CG-CZ2 4.15Å; E34-W52 VanDerWaalsContact CD-NE1 3.26Å; E34-W52 PolarHBondContact OE1-NE1 3.44Å; I35-W52 HydrophobicContact CD1-CD2 3.66Å; I35-W52 HydrophobicContact CD1-CE3 3.98Å; I35-W52 HydrophobicContact CD1-CG 3.96Å; I35-W52 HydrophobicContact CD1-CZ2 4.33Å; I35-W52 HydrophobicContact CD1-CZ3 4.43Å; L38-W52 HydrophobicContact CD1-CG 4.16Å; W52-D54 PolarHBondContact O-N 3.02Å; W52-L55 CarbonylContact C-O 3.52Å; W52-L55 HydrophobicContact CZ3-CD1 4.24Å; W52-L55 PolarHBondContact N-O 3.3Å; W52-L55 CarbonylContact O-C 3.52Å; W52-L55 PolarHBondContact O-N 3.41Å; W52-I57 HydrophobicContact CB-CD1 4.23Å; W52-I57 HydrophobicContact CB-CG1 3.57Å; W52-I57 HydrophobicContact CD2-CD1 4.39Å; W52-I57 HydrophobicContact CE3-CD1 3.89Å; W52-I57 HydrophobicContact CE3-CG1 4.47Å; W52-I57 HydrophobicContact CG-CG1 4.22Å
53Q94.8Very high95.9Very high95 Ų9573 Ų7344%0.44437%0.368SS..THydrogen-bonded Turntrans54.5-131.6-170.8-54.6179.14.100109.9L55Q53-L55 VanDerWaalsContact C-N 3.29Å
54D95.3Very high95.9Very high142 Ų14267.9 Ų67.976%0.75935%0.351SS*.THydrogen-bonded Turntrans-9420176.9-55.9-45.7000112.3W52 Q73W52-D54 PolarHBondContact O-N 3.02Å; D54-Q73 VanDerWaalsContact O-CG 3.29Å; D54-Q73 WeakPolarHBondContact O-CG 3.35Å
55L97.6Very high96.3Very high20 Ų2062 Ų6211%0.10531%0.312CS..EExtended strand (participates in β ladder)trans-127160.9-178.1-60.8178.1000111.5N3 F4 W52 Q53 A70 Q73N3-L55 HydrophobicContact CB-CD1 4.27Å; F4-L55 HydrophobicContact CE1-CD1 4.42Å; W52-L55 CarbonylContact C-O 3.52Å; W52-L55 HydrophobicContact CZ3-CD1 4.24Å; W52-L55 PolarHBondContact N-O 3.3Å; W52-L55 CarbonylContact O-C 3.52Å; W52-L55 PolarHBondContact O-N 3.41Å; Q53-L55 VanDerWaalsContact C-N 3.29Å; L55-A70 HydrophobicContact CD1-CB 4.18Å; L55-Q73 VanDerWaalsContact C-NE2 3.31Å; L55-Q73 PolarHBondContact O-NE2 3.33Å
56K98Very high96.7Very high12 Ų1253.6 Ų53.65%0.05228%0.275CS..EExtended strand (participates in β ladder)trans-105.1134.5169.5-56.8-177.4-63-167.40109.6L50 A70 I71 D72 Q73 D75 E77L50-K56 CarbonylContact O-C 3.58Å; L50-K56 WeakPolarHBondContact O-CA 3.37Å; K56-A70 WeakPolarHBondContact O-CA 3.07Å; K56-I71 HydrophobicContact CB-CD1 4.3Å; K56-I71 HydrophobicContact CB-CG1 3.89Å; K56-I71 PolarHBondContact N-O 3.45Å; K56-I71 WeakPolarHBondContact O-CG1 3.3Å; K56-I71 PolarHBondContact O-N 3.06Å; K56-D72 VanDerWaalsContact CE-O 3.32Å; K56-D72 WeakPolarHBondContact CE-O 3.3Å; K56-Q73 WeakPolarHBondContact CE-O 3.48Å; K56-Q73 VanDerWaalsContact CG-OE1 3.3Å; K56-Q73 PolarHBondContact NZ-O 2.77Å; K56-D75 WeakPolarHBondContact CE-O 3.42Å; K56-D75 PolarHBondContact NZ-O 3.47Å; K56-E77 HydrophobicContact CD-CG 4.3Å; K56-E77 VanDerWaalsContact CD-OE1 3.23Å; K56-E77 WeakPolarHBondContact CD-OE1 3.36Å; K56-E77 VanDerWaalsContact CE-OE1 3.24Å; K56-E77 WeakPolarHBondContact CE-OE1 3.28Å; K56-E77 VanDerWaalsContact NZ-CD 3.27Å; K56-E77 IonicContact NZ-OE1 2.79Å; K56-E77 PolarHBondContact NZ-OE1 3.21Å; K56-E77 IonicContact NZ-OE2 3.29Å
57I98.4Very high96.8Very high1 Ų149.5 Ų49.51%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-102120.8176.1-52.6-60.5000108.5I35 F49 L50 W52 V68 C69 A70I35-I57 HydrophobicContact CD1-CD1 3.53Å; I35-I57 HydrophobicContact CD1-CG1 3.7Å; F49-I57 CarbonylContact C-O 3.58Å; F49-I57 VanDerWaalsContact CA-O 3.29Å; F49-I57 WeakPolarHBondContact CA-O 3.22Å; L50-I57 HydrophobicContact CB-CB 4.15Å; L50-I57 PolarHBondContact N-O 3.22Å; L50-I57 PolarHBondContact O-N 3Å; W52-I57 HydrophobicContact CB-CD1 4.23Å; W52-I57 HydrophobicContact CB-CG1 3.57Å; W52-I57 HydrophobicContact CD2-CD1 4.39Å; W52-I57 HydrophobicContact CE3-CD1 3.89Å; W52-I57 HydrophobicContact CE3-CG1 4.47Å; W52-I57 HydrophobicContact CG-CG1 4.22Å; I57-V68 HydrophobicContact CG2-CG1 3.35Å; I57-C69 WeakPolarHBondContact CA-O 3.31Å; I57-A70 HydrophobicContact CD1-CB 3.52Å
58V98.6Very high97Very high0 Ų046.3 Ų46.30%023%0.233CC..EExtended strand (participates in β ladder)trans-108.8124.1174.4-178.20000107.6F49 V68 C69 I71 E77 T80 L81 I84F49-V58 HydrophobicContact CD1-CB 4.29Å; F49-V58 HydrophobicContact CD1-CG1 3.91Å; F49-V58 HydrophobicContact CD1-CG2 3.94Å; F49-V58 HydrophobicContact CE1-CG1 3.85Å; F49-V58 HydrophobicContact CE1-CG2 4.45Å; V58-V68 CarbonylContact O-C 3.52Å; V58-V68 WeakPolarHBondContact O-CA 3.48Å; V58-C69 PolarHBondContact N-O 2.86Å; V58-C69 PolarHBondContact O-N 2.84Å; V58-I71 HydrophobicContact CG2-CD1 3.66Å; V58-I71 HydrophobicContact CG2-CG1 4.15Å; V58-E77 HydrophobicContact CG2-CB 4.03Å; V58-E77 HydrophobicContact CG2-CG 4.29Å; V58-T80 HydrophobicContact CB-CG2 3.84Å; V58-T80 HydrophobicContact CG1-CG2 4.08Å; V58-T80 HydrophobicContact CG2-CG2 3.96Å; V58-L81 HydrophobicContact CG1-CB 4.16Å; V58-L81 HydrophobicContact CG1-CD1 3.93Å; V58-I84 HydrophobicContact CG1-CD1 4.19Å
59Y98.2Very high97.1Very high20 Ų2044.4 Ų44.48%0.07822%0.22CC..EExtended strand (participates in β ladder)trans-135.2152.6177.175.5-87000113.1V39 R42 C47 S48 L50 Y66 F67V39-Y59 HydrophobicContact CG1-CD2 3.94Å; V39-Y59 HydrophobicContact CG1-CE2 4.23Å; V39-Y59 HydrophobicContact CG1-CG 4.22Å; V39-Y59 HydrophobicContact CG2-CD1 4.16Å; V39-Y59 HydrophobicContact CG2-CG 4.19Å; R42-Y59 WeakPolarHBondContact CD-OH 3.22Å; R42-Y59 PolarHBondContact NE-OH 3.17Å; R42-Y59 VanDerWaalsContact NH1-CE1 3.29Å; R42-Y59 PolarHBondContact NH1-OH 3.38Å; C47-Y59 PolarHBondContact O-OH 2.97Å; C47-Y59 VanDerWaalsContact O-OH 3.08Å; S48-Y59 WeakPolarHBondContact CB-O 3.29Å; S48-Y59 WeakPolarHBondContact O-CD1 3.32Å; S48-Y59 PolarHBondContact O-N 3.12Å; L50-Y59 HydrophobicContact CD1-CD1 4.38Å; L50-Y59 HydrophobicContact CD1-CE1 4.14Å; L50-Y59 HydrophobicContact CG-CE1 4.42Å; Y59-Y66 HydrophobicContact CD2-CD1 4.39Å; Y59-F67 CarbonylContact C-O 3.56Å; Y59-F67 WeakPolarHBondContact CA-O 3.15Å; Y59-F67 VanDerWaalsContact CB-O 3.32Å; Y59-F67 WeakPolarHBondContact CB-O 3.44Å
60R97.6Very high97.1Very high82 Ų8241.7 Ų41.731%0.30921%0.208SC..EExtended strand (participates in β ladder)trans-141.9143.3171.5-165.3163.2176.3178.2-0.2110.1Y62 F67 L81 I84R60-Y62 HydrophobicContact CB-CD2 4.44Å; R60-Y62 HydrophobicContact CB-CE2 3.87Å; R60-Y62 VanDerWaalsContact CD-OH 3.24Å; R60-Y62 WeakPolarHBondContact CD-OH 3.38Å; R60-Y62 HydrophobicContact CG-CD2 4.21Å; R60-Y62 HydrophobicContact CG-CE2 3.58Å; R60-Y62 VanDerWaalsContact CZ-OH 3.26Å; R60-Y62 PolarHBondContact NE-OH 2.71Å; R60-Y62 PolarHBondContact NH1-OH 2.8Å; R60-F67 PolarHBondContact N-O 3.22Å; R60-F67 PolarHBondContact O-N 3.39Å; R60-L81 HydrophobicContact CB-CD1 3.89Å; R60-L81 HydrophobicContact CG-CD1 4.37Å; R60-I84 HydrophobicContact CB-CG2 4.24Å
61R96.6Very high97.2Very high105 Ų10540 Ų4040%0.39620%0.199SC..EExtended strand (participates in β ladder)trans-101126.3176.6-174.8-175.2165.7-153.3-13.2109.8A63 L65 Y66R61-A63 VanDerWaalsContact CZ-O 3.27Å; R61-A63 PolarHBondContact NE-O 2.96Å; R61-A63 PolarHBondContact NH2-O 3.33Å; R61-L65 CarbonylContact C-O 3.55Å; R61-L65 WeakPolarHBondContact CA-O 3.39Å; R61-L65 WeakPolarHBondContact CG-O 3.44Å; R61-Y66 HydrophobicContact CB-CD1 4.09Å; R61-Y66 HydrophobicContact CB-CE1 4.06Å; R61-Y66 HydrophobicContact CG-CD1 4.32Å; R61-Y66 HydrophobicContact CG-CE1 4.14Å; R61-Y66 HydrophobicContact CG-CE2 4.37Å
62Y96.4Very high97.3Very high47 Ų4736.1 Ų36.118%0.18418%0.182CC..EExtended strand (participates in β ladder)trans-118.8113.9170.9-69-91.9000108.3R60 S64 L65 F67 I84 H85 V88R60-Y62 HydrophobicContact CB-CD2 4.44Å; R60-Y62 HydrophobicContact CB-CE2 3.87Å; R60-Y62 VanDerWaalsContact CD-OH 3.24Å; R60-Y62 WeakPolarHBondContact CD-OH 3.38Å; R60-Y62 HydrophobicContact CG-CD2 4.21Å; R60-Y62 HydrophobicContact CG-CE2 3.58Å; R60-Y62 VanDerWaalsContact CZ-OH 3.26Å; R60-Y62 PolarHBondContact NE-OH 2.71Å; R60-Y62 PolarHBondContact NH1-OH 2.8Å; Y62-S64 PolarHBondContact O-N 3.09Å; Y62-L65 PolarHBondContact N-O 3.13Å; Y62-L65 PolarHBondContact O-N 3.4Å; Y62-F67 AromaticContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CE2 4.17Å; Y62-F67 HydrophobicContact CD2-CG 4.5Å; Y62-I84 HydrophobicContact CE2-CG2 4.03Å; Y62-H85 AromaticContact CE1-ND1 3.83Å; Y62-H85 AromaticContact CZ-ND1 3.71Å; Y62-H85 WeakPolarHBondContact OH-CA 3.16Å; Y62-H85 VanDerWaalsContact OH-CB 3.29Å; Y62-H85 WeakPolarHBondContact OH-CB 3.46Å; Y62-H85 PolarHBondContact OH-ND1 2.92Å; Y62-V88 HydrophobicContact CD1-CG1 4Å; Y62-V88 HydrophobicContact CD2-CG2 3.86Å; Y62-V88 HydrophobicContact CE1-CG1 4.18Å; Y62-V88 HydrophobicContact CE2-CG2 3.88Å; Y62-V88 HydrophobicContact CG-CG1 4.27Å; Y62-V88 HydrophobicContact CG-CG2 4.22Å
63A94.5Very high97.3Very high86 Ų8639.5 Ų39.571%0.71120%0.198SC*.THydrogen-bonded Turntrans50.4-109.9-174.600000114R61R61-A63 VanDerWaalsContact CZ-O 3.27Å; R61-A63 PolarHBondContact NE-O 2.96Å; R61-A63 PolarHBondContact NH2-O 3.33Å
64S94.1Very high97.4Very high39 Ų3941.3 Ų41.327%0.27322%0.216SC..THydrogen-bonded Turntrans-95.3-3.3178.656.80000114.2S9 R10 Y62 E100S9-S64 CarbonylContact C-O 3.59Å; S9-S64 WeakPolarHBondContact CA-O 3.31Å; R10-S64 WeakPolarHBondContact CG-O 3.3Å; R10-S64 PolarHBondContact N-O 3.38Å; Y62-S64 PolarHBondContact O-N 3.09Å; S64-E100 WeakPolarHBondContact CB-OE2 3.37Å; S64-E100 PolarHBondContact OG-OE2 3.2Å
65L97.3Very high97.4Very high9 Ų936.4 Ų36.45%0.04719%0.19CC..EExtended strand (participates in β ladder)trans-106.6141-177-72.3173.8000112.2R15 R61 Y62 F67 E100 I103R15-L65 HydrophobicContact CG-CD2 3.79Å; R61-L65 CarbonylContact C-O 3.55Å; R61-L65 WeakPolarHBondContact CA-O 3.39Å; R61-L65 WeakPolarHBondContact CG-O 3.44Å; Y62-L65 PolarHBondContact N-O 3.13Å; Y62-L65 PolarHBondContact O-N 3.4Å; L65-F67 HydrophobicContact CB-CD2 4.28Å; L65-F67 HydrophobicContact CB-CE2 3.74Å; L65-F67 HydrophobicContact CD1-CE2 4.31Å; L65-F67 HydrophobicContact CD1-CZ 4.47Å; L65-E100 HydrophobicContact CD1-CB 3.91Å; L65-E100 HydrophobicContact CD1-CG 4.2Å; L65-E100 HydrophobicContact CD2-CB 4.36Å; L65-E100 HydrophobicContact CD2-CG 3.85Å; L65-E100 HydrophobicContact CG-CB 3.99Å; L65-E100 HydrophobicContact CG-CG 4.06Å; L65-I103 HydrophobicContact CD1-CD1 3.71Å
66Y98.1Very high97.4Very high36 Ų3639 Ų3914%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-103128.8166-70-96.6000108.4L7 F8 R10 V39 F40 Y59 R61L7-Y66 VanDerWaalsContact CA-O 3.3Å; L7-Y66 WeakPolarHBondContact CA-O 3.4Å; F8-Y66 HydrophobicContact CD2-CD2 4.24Å; F8-Y66 HydrophobicContact CD2-CG 4.29Å; F8-Y66 VanDerWaalsContact CE2-CB 3.47Å; F8-Y66 HydrophobicContact CE2-CD2 4.06Å; F8-Y66 AromaticContact CE2-CG 3.79Å; F8-Y66 HydrophobicContact CE2-CG 3.79Å; F8-Y66 HydrophobicContact CZ-CG 4.43Å; F8-Y66 PolarHBondContact N-O 3.02Å; F8-Y66 VanDerWaalsContact N-O 3.07Å; F8-Y66 PolarHBondContact O-N 3.48Å; R10-Y66 HydrophobicContact CG-CE2 4.03Å; V39-Y66 HydrophobicContact CG1-CD1 3.39Å; V39-Y66 HydrophobicContact CG1-CE1 3.68Å; V39-Y66 HydrophobicContact CG1-CG 4.18Å; F40-Y66 HydrophobicContact CD1-CE2 4.24Å; F40-Y66 AromaticContact CE1-CD2 3.86Å; F40-Y66 HydrophobicContact CE1-CD2 3.86Å; F40-Y66 AromaticContact CE1-CE2 3.68Å; F40-Y66 HydrophobicContact CE1-CE2 3.68Å; Y59-Y66 HydrophobicContact CD2-CD1 4.39Å; R61-Y66 HydrophobicContact CB-CD1 4.09Å; R61-Y66 HydrophobicContact CB-CE1 4.06Å; R61-Y66 HydrophobicContact CG-CD1 4.32Å; R61-Y66 HydrophobicContact CG-CE1 4.14Å; R61-Y66 HydrophobicContact CG-CE2 4.37Å
67F98.5Very high97.4Very high6 Ų641.1 Ų41.13%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-106.7130.4171.3-70-110.5000107.2M5 L7 Y59 R60 Y62 L65 I84 Y87 V88 L91M5-F67 HydrophobicContact CE-CD1 3.95Å; L7-F67 HydrophobicContact CD1-CD1 3.44Å; L7-F67 VanDerWaalsContact CD1-CD1 3.44Å; L7-F67 HydrophobicContact CD1-CE1 3.75Å; L7-F67 HydrophobicContact CD1-CG 4.13Å; L7-F67 HydrophobicContact CD2-CD1 4.01Å; L7-F67 HydrophobicContact CD2-CE1 3.42Å; L7-F67 VanDerWaalsContact CD2-CE1 3.42Å; L7-F67 HydrophobicContact CD2-CZ 3.7Å; L7-F67 HydrophobicContact CG-CD1 3.59Å; L7-F67 HydrophobicContact CG-CD2 4.46Å; L7-F67 HydrophobicContact CG-CE1 3.55Å; L7-F67 HydrophobicContact CG-CE2 4.41Å; L7-F67 HydrophobicContact CG-CG 4.06Å; L7-F67 HydrophobicContact CG-CZ 3.97Å; Y59-F67 CarbonylContact C-O 3.56Å; Y59-F67 WeakPolarHBondContact CA-O 3.15Å; Y59-F67 VanDerWaalsContact CB-O 3.32Å; Y59-F67 WeakPolarHBondContact CB-O 3.44Å; R60-F67 PolarHBondContact N-O 3.22Å; R60-F67 PolarHBondContact O-N 3.39Å; Y62-F67 AromaticContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CE2 4.17Å; Y62-F67 HydrophobicContact CD2-CG 4.5Å; L65-F67 HydrophobicContact CB-CD2 4.28Å; L65-F67 HydrophobicContact CB-CE2 3.74Å; L65-F67 HydrophobicContact CD1-CE2 4.31Å; L65-F67 HydrophobicContact CD1-CZ 4.47Å; F67-I84 HydrophobicContact CB-CG2 3.49Å; F67-I84 VanDerWaalsContact CB-CG2 3.49Å; F67-I84 HydrophobicContact CD1-CG2 4.31Å; F67-I84 HydrophobicContact CG-CG2 4.07Å; F67-Y87 HydrophobicContact CD1-CD1 4.23Å; F67-Y87 AromaticContact CE1-CD1 3.9Å; F67-Y87 HydrophobicContact CE1-CD1 3.9Å; F67-Y87 HydrophobicContact CE1-CE1 4.03Å; F67-V88 HydrophobicContact CD1-CG2 4.03Å; F67-V88 HydrophobicContact CD2-CG2 4.36Å; F67-V88 HydrophobicContact CE1-CG2 3.6Å; F67-V88 HydrophobicContact CE2-CG2 3.99Å; F67-V88 HydrophobicContact CG-CG2 4.41Å; F67-V88 HydrophobicContact CZ-CG2 3.6Å; F67-L91 HydrophobicContact CE1-CD1 4.45Å
68V98.6Very high97.4Very high0 Ų046.3 Ų46.30%024%0.241CC..EExtended strand (participates in β ladder)trans-136131.9-175.9-172.90000109.7M5 L6 F8 I35 V39 I57 V58M5-V68 CarbonylContact C-O 3.54Å; M5-V68 VanDerWaalsContact CA-O 3.29Å; M5-V68 WeakPolarHBondContact CA-O 3.23Å; L6-V68 HydrophobicContact CB-CB 4.36Å; L6-V68 PolarHBondContact N-O 3.42Å; L6-V68 PolarHBondContact O-N 2.96Å; F8-V68 HydrophobicContact CE1-CB 4.39Å; F8-V68 HydrophobicContact CE1-CG2 3.46Å; F8-V68 VanDerWaalsContact CE1-CG2 3.46Å; F8-V68 HydrophobicContact CZ-CG2 3.65Å; I35-V68 HydrophobicContact CG2-CG1 3.86Å; V39-V68 HydrophobicContact CG2-CG2 4.24Å; I57-V68 HydrophobicContact CG2-CG1 3.35Å; V58-V68 CarbonylContact O-C 3.52Å; V58-V68 WeakPolarHBondContact O-CA 3.48Å
69C98.7Very high97.4Very high0 Ų051.1 Ų51.10%027%0.266CS..EExtended strand (participates in β ladder)trans-118137.3167.3-67.50000109.3I2 F4 I57 V58 T80 I84I2-C69 HydrophobicContact CG2-CB 4.3Å; F4-C69 WeakPolarHBondContact O-CA 3.4Å; I57-C69 WeakPolarHBondContact CA-O 3.31Å; V58-C69 PolarHBondContact N-O 2.86Å; V58-C69 PolarHBondContact O-N 2.84Å; C69-T80 HydrophobicContact CB-CG2 3.71Å; C69-I84 HydrophobicContact CB-CD1 4.34Å
70A98.5Very high97.4Very high0 Ų050.5 Ų50.50%026%0.264CS..EExtended strand (participates in β ladder)trans-99.3126.1163.800000109I2 N3 F4 L55 K56 I57I2-A70 CarbonylContact C-O 3.52Å; I2-A70 WeakPolarHBondContact CA-O 3.48Å; N3-A70 HydrophobicContact CB-CB 4.42Å; N3-A70 PolarHBondContact N-O 2.71Å; F4-A70 HydrophobicContact CD1-CB 3.94Å; F4-A70 HydrophobicContact CD2-CB 3.84Å; F4-A70 HydrophobicContact CE1-CB 3.53Å; F4-A70 HydrophobicContact CE2-CB 3.42Å; F4-A70 VanDerWaalsContact CE2-CB 3.42Å; F4-A70 HydrophobicContact CG-CB 4.1Å; F4-A70 HydrophobicContact CZ-CB 3.26Å; F4-A70 PolarHBondContact O-N 3.09Å; L55-A70 HydrophobicContact CD1-CB 4.18Å; K56-A70 WeakPolarHBondContact O-CA 3.07Å; I57-A70 HydrophobicContact CD1-CB 3.52Å
71I98.4Very high97.4Very high0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-125.3161.8-17657.6169.5000110.7M1 I2 K56 V58 D75 E77 T80M1-I71 WeakPolarHBondContact O-CA 3.49Å; I2-I71 HydrophobicContact CB-CG2 4.45Å; I2-I71 HydrophobicContact CG1-CG2 3.8Å; K56-I71 HydrophobicContact CB-CD1 4.3Å; K56-I71 HydrophobicContact CB-CG1 3.89Å; K56-I71 PolarHBondContact N-O 3.45Å; K56-I71 WeakPolarHBondContact O-CG1 3.3Å; K56-I71 PolarHBondContact O-N 3.06Å; V58-I71 HydrophobicContact CG2-CD1 3.66Å; V58-I71 HydrophobicContact CG2-CG1 4.15Å; I71-D75 HydrophobicContact CB-CB 4.03Å; I71-D75 HydrophobicContact CD1-CB 3.89Å; I71-D75 HydrophobicContact CG1-CB 4.34Å; I71-E77 HydrophobicContact CD1-CG 4.27Å; I71-T80 HydrophobicContact CD1-CG2 4.45Å; I71-T80 HydrophobicContact CG2-CG2 3.64Å
72D98Very high97.4Very high47 Ų4748 Ų4825%0.25126%0.261SS..EExtended strand (participates in β ladder)trans-69157.6175.9-59.8-35.8000111M1 N3 K56 T74 D75M1-D72 WeakPolarHBondContact CA-OD2 3.29Å; M1-D72 VanDerWaalsContact CB-OD2 3.29Å; M1-D72 WeakPolarHBondContact CB-OD2 3.23Å; M1-D72 PolarHBondContact N-OD2 2.9Å; M1-D72 PolarHBondContact O-N 3.2Å; N3-D72 PolarHBondContact ND2-OD1 3.18Å; K56-D72 VanDerWaalsContact CE-O 3.32Å; K56-D72 WeakPolarHBondContact CE-O 3.3Å; D72-T74 PolarHBondContact O-N 2.91Å; D72-T74 VanDerWaalsContact O-N 3.12Å; D72-D75 PolarHBondContact N-OD2 2.93Å; D72-D75 PolarHBondContact O-N 3.17Å; D72-D75 VanDerWaalsContact O-N 3.08Å
73Q96.4Very high97.5Very high82 Ų8246.6 Ų46.638%0.38326%0.257SS..THydrogen-bonded Turntrans-59.5-26.8-179.3-71.9-66.2-16.900113.6E51 D54 L55 K56E51-Q73 PolarHBondContact OE2-NE2 3.17Å; E51-Q73 PolarHBondContact OE2-OE1 3.25Å; D54-Q73 VanDerWaalsContact O-CG 3.29Å; D54-Q73 WeakPolarHBondContact O-CG 3.35Å; L55-Q73 VanDerWaalsContact C-NE2 3.31Å; L55-Q73 PolarHBondContact O-NE2 3.33Å; K56-Q73 WeakPolarHBondContact CE-O 3.48Å; K56-Q73 VanDerWaalsContact CG-OE1 3.3Å; K56-Q73 PolarHBondContact NZ-O 2.77Å
74T96.8Very high97.7Very high133 Ų13342.5 Ų42.582%0.81622%0.223SC*.THydrogen-bonded Turntrans-83.6-15-179.751.60000113.9D72D72-T74 PolarHBondContact O-N 2.91Å; D72-T74 VanDerWaalsContact O-N 3.12Å
75D97.1Very high97.9Very high40 Ų4043 Ų4321%0.21422%0.221CC..SBendtrans-77.9156.4-176-70.5-28.6000112.6M1 K56 I71 D72M1-D75 WeakPolarHBondContact CA-OD2 3.36Å; M1-D75 PolarHBondContact N-OD1 3.4Å; M1-D75 VanDerWaalsContact N-OD1 3.14Å; M1-D75 PolarHBondContact N-OD2 3.19Å; K56-D75 WeakPolarHBondContact CE-O 3.42Å; K56-D75 PolarHBondContact NZ-O 3.47Å; I71-D75 HydrophobicContact CB-CB 4.03Å; I71-D75 HydrophobicContact CD1-CB 3.89Å; I71-D75 HydrophobicContact CG1-CB 4.34Å; D72-D75 PolarHBondContact N-OD2 2.93Å; D72-D75 PolarHBondContact O-N 3.17Å; D72-D75 VanDerWaalsContact O-N 3.08Å
76N97.3Very high97.9Very high75 Ų7546.3 Ų46.340%0.40123%0.233SC..  trans-84.6120.1179.1-171.6-46.5000111.3L78 I79 T80N76-L78 VanDerWaalsContact C-N 3.34Å; N76-L78 PolarHBondContact O-N 3.43Å; N76-L78 WeakPolarHBondContact OD1-CA 3.29Å; N76-L78 WeakPolarHBondContact OD1-CB 3.47Å; N76-L78 PolarHBondContact OD1-N 3.28Å; N76-I79 HydrophobicContact CB-CB 4.08Å; N76-I79 HydrophobicContact CB-CD1 3.85Å; N76-I79 HydrophobicContact CB-CG1 3.97Å; N76-I79 PolarHBondContact O-N 2.96Å; N76-I79 PolarHBondContact OD1-N 3.38Å; N76-I79 VanDerWaalsContact OD1-N 3.14Å; N76-T80 PolarHBondContact O-N 3.42Å; N76-T80 VanDerWaalsContact O-N 3.07Å; N76-T80 PolarHBondContact O-OG1 3.07Å
77E97.9Very high97.9Very high55 Ų5544.6 Ų44.626%0.25723%0.226SC..Hα-helixtrans-67.1-34.6-178.4-5686.3165.500112.5F49 K56 V58 I71 T80 L81F49-E77 HydrophobicContact CB-CG 4.47Å; F49-E77 HydrophobicContact CD1-CB 3.61Å; F49-E77 HydrophobicContact CD1-CG 4.2Å; F49-E77 HydrophobicContact CD2-CB 4.1Å; F49-E77 HydrophobicContact CD2-CG 4.43Å; F49-E77 HydrophobicContact CE1-CB 3.62Å; F49-E77 HydrophobicContact CE2-CB 4.13Å; F49-E77 HydrophobicContact CG-CB 3.88Å; F49-E77 HydrophobicContact CG-CG 4.1Å; F49-E77 HydrophobicContact CZ-CB 3.9Å; K56-E77 HydrophobicContact CD-CG 4.3Å; K56-E77 VanDerWaalsContact CD-OE1 3.23Å; K56-E77 WeakPolarHBondContact CD-OE1 3.36Å; K56-E77 VanDerWaalsContact CE-OE1 3.24Å; K56-E77 WeakPolarHBondContact CE-OE1 3.28Å; K56-E77 VanDerWaalsContact NZ-CD 3.27Å; K56-E77 IonicContact NZ-OE1 2.79Å; K56-E77 PolarHBondContact NZ-OE1 3.21Å; K56-E77 IonicContact NZ-OE2 3.29Å; V58-E77 HydrophobicContact CG2-CB 4.03Å; V58-E77 HydrophobicContact CG2-CG 4.29Å; I71-E77 HydrophobicContact CD1-CG 4.27Å; E77-T80 PolarHBondContact O-N 3Å; E77-L81 WeakPolarHBondContact O-CB 3.37Å; E77-L81 PolarHBondContact O-N 2.95Å
78L98.1Very high97.8Very high111 Ų11145.2 Ų45.258%0.58123%0.23SC*.Hα-helixtrans-71.3-41.9179.7-61.5174.6000111.2F49 N76 T80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.26Å; F49-L78 HydrophobicContact CZ-CD2 3.83Å; N76-L78 VanDerWaalsContact C-N 3.34Å; N76-L78 PolarHBondContact O-N 3.43Å; N76-L78 WeakPolarHBondContact OD1-CA 3.29Å; N76-L78 WeakPolarHBondContact OD1-CB 3.47Å; N76-L78 PolarHBondContact OD1-N 3.28Å; L78-T80 VanDerWaalsContact C-N 3.28Å; L78-T80 PolarHBondContact O-N 3.42Å; L78-L81 WeakPolarHBondContact O-CB 3.44Å; L78-L81 PolarHBondContact O-N 3.42Å; L78-E82 PolarHBondContact O-N 3.49Å
79I97.5Very high97.8Very high101 Ų10148.6 Ų48.652%0.51825%0.246SC..Hα-helixtrans-62.1-41.4173.9-64.3177.9000109.7N76 L81 E82 I83N76-I79 HydrophobicContact CB-CB 4.08Å; N76-I79 HydrophobicContact CB-CD1 3.85Å; N76-I79 HydrophobicContact CB-CG1 3.97Å; N76-I79 PolarHBondContact O-N 2.96Å; N76-I79 PolarHBondContact OD1-N 3.38Å; N76-I79 VanDerWaalsContact OD1-N 3.14Å; I79-L81 VanDerWaalsContact C-N 3.3Å; I79-L81 PolarHBondContact O-N 3.27Å; I79-E82 CarbonylContact O-C 3.56Å; I79-E82 WeakPolarHBondContact O-CB 3.38Å; I79-E82 PolarHBondContact O-N 2.93Å; I79-E82 VanDerWaalsContact O-N 3.14Å; I79-I83 HydrophobicContact CG2-CD1 4.21Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 2.85Å
80T98.3Very high97.7Very high6 Ų648.6 Ų48.64%0.03725%0.246CC..Hα-helixtrans-63.8-36.7176.3-55.30000112.2V58 C69 I71 N76 E77 L78 E82 I83 I84V58-T80 HydrophobicContact CB-CG2 3.84Å; V58-T80 HydrophobicContact CG1-CG2 4.08Å; V58-T80 HydrophobicContact CG2-CG2 3.96Å; C69-T80 HydrophobicContact CB-CG2 3.71Å; I71-T80 HydrophobicContact CD1-CG2 4.45Å; I71-T80 HydrophobicContact CG2-CG2 3.64Å; N76-T80 PolarHBondContact O-N 3.42Å; N76-T80 VanDerWaalsContact O-N 3.07Å; N76-T80 PolarHBondContact O-OG1 3.07Å; E77-T80 PolarHBondContact O-N 3Å; L78-T80 VanDerWaalsContact C-N 3.28Å; L78-T80 PolarHBondContact O-N 3.42Å; T80-E82 VanDerWaalsContact C-N 3.31Å; T80-E82 PolarHBondContact O-N 3.21Å; T80-I83 WeakPolarHBondContact O-CB 3.06Å; T80-I83 PolarHBondContact O-N 2.79Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.61Å
81L98Very high97.7Very high24 Ų2448.7 Ų48.713%0.12625%0.246CC..Hα-helixtrans-65.2-36.6174.6-164.867.8000111.8F49 V58 R60 E77 L78 I79 H85F49-L81 HydrophobicContact CE1-CD2 4.45Å; F49-L81 HydrophobicContact CZ-CD2 4.44Å; V58-L81 HydrophobicContact CG1-CB 4.16Å; V58-L81 HydrophobicContact CG1-CD1 3.93Å; R60-L81 HydrophobicContact CB-CD1 3.89Å; R60-L81 HydrophobicContact CG-CD1 4.37Å; E77-L81 WeakPolarHBondContact O-CB 3.37Å; E77-L81 PolarHBondContact O-N 2.95Å; L78-L81 WeakPolarHBondContact O-CB 3.44Å; L78-L81 PolarHBondContact O-N 3.42Å; I79-L81 VanDerWaalsContact C-N 3.3Å; I79-L81 PolarHBondContact O-N 3.27Å; L81-H85 PolarHBondContact O-N 2.87Å
82E97.7Very high97.6Very high111 Ų11152 Ų5252%0.51926%0.264SS..Hα-helixtrans-70.4-35172.3-72.3-55.1134.700112.4L78 I79 T80 I84 H85 R86L78-E82 PolarHBondContact O-N 3.49Å; I79-E82 CarbonylContact O-C 3.56Å; I79-E82 WeakPolarHBondContact O-CB 3.38Å; I79-E82 PolarHBondContact O-N 2.93Å; I79-E82 VanDerWaalsContact O-N 3.14Å; T80-E82 VanDerWaalsContact C-N 3.31Å; T80-E82 PolarHBondContact O-N 3.21Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.45Å; E82-H85 PolarHBondContact O-N 2.81Å; E82-H85 VanDerWaalsContact O-N 3.16Å; E82-R86 VanDerWaalsContact O-CB 3.31Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.87Å
83I98.1Very high97.6Very high17 Ų1755.3 Ų55.39%0.08728%0.276CS..Hα-helixtrans-59.6-47.5172.4-70.8168.5000110.4I2 I79 T80 H85 R86 Y87 Y117 L118 V123I2-I83 HydrophobicContact CD1-CD1 4.24Å; I2-I83 HydrophobicContact CD1-CG2 4.2Å; I79-I83 HydrophobicContact CG2-CD1 4.21Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 2.85Å; T80-I83 WeakPolarHBondContact O-CB 3.06Å; T80-I83 PolarHBondContact O-N 2.79Å; I83-H85 VanDerWaalsContact C-N 3.29Å; I83-H85 PolarHBondContact O-N 2.79Å; I83-R86 PolarHBondContact O-N 2.93Å; I83-Y87 PolarHBondContact O-N 2.8Å; I83-Y117 WeakPolarHBondContact CA-OH 3.49Å; I83-Y117 HydrophobicContact CG2-CE1 3.81Å; I83-Y117 WeakPolarHBondContact O-CE1 3.32Å; I83-L118 HydrophobicContact CG2-CD1 4.1Å; I83-L118 HydrophobicContact CG2-CD2 3.95Å; I83-V123 HydrophobicContact CD1-CG2 3.46Å; I83-V123 VanDerWaalsContact CD1-CG2 3.46Å; I83-V123 HydrophobicContact CG1-CG2 3.7Å
84I98.2Very high97.6Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-58-46.1174.4-69.2171000110.3V58 R60 Y62 F67 C69 T80 E82 Y87 V88V58-I84 HydrophobicContact CG1-CD1 4.19Å; R60-I84 HydrophobicContact CB-CG2 4.24Å; Y62-I84 HydrophobicContact CE2-CG2 4.03Å; F67-I84 HydrophobicContact CB-CG2 3.49Å; F67-I84 VanDerWaalsContact CB-CG2 3.49Å; F67-I84 HydrophobicContact CD1-CG2 4.31Å; F67-I84 HydrophobicContact CG-CG2 4.07Å; C69-I84 HydrophobicContact CB-CD1 4.34Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.61Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.45Å; I84-Y87 PolarHBondContact O-N 2.9Å; I84-V88 WeakPolarHBondContact O-CG2 3.39Å; I84-V88 PolarHBondContact O-N 3.1Å
85H97.9Very high97.6Very high50 Ų5049.5 Ų49.523%0.23124%0.237CC..Hα-helixtrans-63.8-44.6-178.2-169.319.3000112.1Y62 L81 E82 I83 Y87 V88 E89Y62-H85 AromaticContact CE1-ND1 3.83Å; Y62-H85 AromaticContact CZ-ND1 3.71Å; Y62-H85 WeakPolarHBondContact OH-CA 3.16Å; Y62-H85 VanDerWaalsContact OH-CB 3.29Å; Y62-H85 WeakPolarHBondContact OH-CB 3.46Å; Y62-H85 PolarHBondContact OH-ND1 2.92Å; L81-H85 PolarHBondContact O-N 2.87Å; E82-H85 PolarHBondContact O-N 2.81Å; E82-H85 VanDerWaalsContact O-N 3.16Å; I83-H85 VanDerWaalsContact C-N 3.29Å; I83-H85 PolarHBondContact O-N 2.79Å; H85-Y87 VanDerWaalsContact C-N 3.33Å; H85-Y87 PolarHBondContact O-N 3.49Å; H85-V88 WeakPolarHBondContact O-CB 3.31Å; H85-V88 PolarHBondContact O-N 2.8Å; H85-V88 VanDerWaalsContact O-N 3.14Å; H85-E89 IonicContact NE2-OE1 2.85Å; H85-E89 WeakPolarHBondContact O-CG 3.45Å; H85-E89 PolarHBondContact O-N 3.44Å
86R97.7Very high97.4Very high78 Ų7849.9 Ų49.929%0.29425%0.251SS..Hα-helixtrans-60.5-42.8178.1176.456.766.276.44.1111.7E82 I83 V88 E89 I90 Y117 T126E82-R86 VanDerWaalsContact O-CB 3.31Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.87Å; I83-R86 PolarHBondContact O-N 2.93Å; R86-V88 VanDerWaalsContact C-N 3.29Å; R86-V88 PolarHBondContact O-N 2.87Å; R86-E89 IonicContact NE-OE2 2.71Å; R86-E89 PolarHBondContact NE-OE2 3.25Å; R86-E89 WeakPolarHBondContact O-CB 3.48Å; R86-E89 PolarHBondContact O-N 2.99Å; R86-E89 VanDerWaalsContact O-N 3.15Å; R86-I90 HydrophobicContact CG-CD1 3.85Å; R86-I90 HydrophobicContact CG-CG1 4.41Å; R86-I90 VanDerWaalsContact O-CG1 3.29Å; R86-I90 WeakPolarHBondContact O-CG1 3.36Å; R86-I90 PolarHBondContact O-N 3.17Å; R86-Y117 HydrophobicContact CB-CE1 4.35Å; R86-Y117 HydrophobicContact CG-CE1 4.24Å; R86-Y117 HydrophobicContact CG-CE2 3.93Å; R86-T126 PolarHBondContact NH1-O 3.25Å
87Y98.1Very high97.2Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-59.5-42.2175.5179.1-121.5000111.7M5 L7 F67 I83 I84 H85 E89 I90 L91 A110 V113 L114 Y117M5-Y87 HydrophobicContact CE-CD1 3.43Å; M5-Y87 VanDerWaalsContact CE-CD1 3.43Å; M5-Y87 HydrophobicContact CE-CE1 3.94Å; M5-Y87 HydrophobicContact CE-CG 4.18Å; M5-Y87 HydrophobicContact SD-CD1 4.5Å; L7-Y87 HydrophobicContact CD2-CE1 4.46Å; F67-Y87 HydrophobicContact CD1-CD1 4.23Å; F67-Y87 AromaticContact CE1-CD1 3.9Å; F67-Y87 HydrophobicContact CE1-CD1 3.9Å; F67-Y87 HydrophobicContact CE1-CE1 4.03Å; I83-Y87 PolarHBondContact O-N 2.8Å; I84-Y87 PolarHBondContact O-N 2.9Å; H85-Y87 VanDerWaalsContact C-N 3.33Å; H85-Y87 PolarHBondContact O-N 3.49Å; Y87-E89 PolarHBondContact O-N 2.85Å; Y87-I90 PolarHBondContact O-N 3.09Å; Y87-L91 HydrophobicContact CD1-CD1 3.92Å; Y87-L91 HydrophobicContact CD2-CG 4.37Å; Y87-L91 HydrophobicContact CE1-CD1 3.51Å; Y87-L91 HydrophobicContact CE1-CG 4.29Å; Y87-L91 HydrophobicContact CE2-CD1 4.14Å; Y87-L91 HydrophobicContact CE2-CD2 4.17Å; Y87-L91 HydrophobicContact CE2-CG 4Å; Y87-L91 HydrophobicContact CG-CD1 4.42Å; Y87-L91 WeakPolarHBondContact O-CG 3.44Å; Y87-L91 PolarHBondContact O-N 3.4Å; Y87-A110 PolarHBondContact OH-O 2.8Å; Y87-V113 HydrophobicContact CD2-CG1 4.4Å; Y87-V113 HydrophobicContact CE2-CB 4.38Å; Y87-V113 HydrophobicContact CE2-CG1 3.94Å; Y87-L114 HydrophobicContact CD1-CD1 4.42Å; Y87-L114 HydrophobicContact CD2-CD1 3.85Å; Y87-L114 HydrophobicContact CE1-CD1 4.27Å; Y87-L114 HydrophobicContact CE2-CB 3.65Å; Y87-L114 HydrophobicContact CE2-CD1 3.72Å; Y87-L114 HydrophobicContact CE2-CG 4.28Å; Y87-L114 HydrophobicContact CG-CD1 4.21Å; Y87-Y117 HydrophobicContact CD2-CD1 4.22Å
88V97.6Very high97.1Very high20 Ų2051.9 Ų51.912%0.12126%0.264CS..Hα-helixtrans-62.8-40.2174.6175.80000111.9Y62 F67 I84 H85 R86 L91 D92Y62-V88 HydrophobicContact CD1-CG1 4Å; Y62-V88 HydrophobicContact CD2-CG2 3.86Å; Y62-V88 HydrophobicContact CE1-CG1 4.18Å; Y62-V88 HydrophobicContact CE2-CG2 3.88Å; Y62-V88 HydrophobicContact CG-CG1 4.27Å; Y62-V88 HydrophobicContact CG-CG2 4.22Å; F67-V88 HydrophobicContact CD1-CG2 4.03Å; F67-V88 HydrophobicContact CD2-CG2 4.36Å; F67-V88 HydrophobicContact CE1-CG2 3.6Å; F67-V88 HydrophobicContact CE2-CG2 3.99Å; F67-V88 HydrophobicContact CG-CG2 4.41Å; F67-V88 HydrophobicContact CZ-CG2 3.6Å; I84-V88 WeakPolarHBondContact O-CG2 3.39Å; I84-V88 PolarHBondContact O-N 3.1Å; H85-V88 WeakPolarHBondContact O-CB 3.31Å; H85-V88 PolarHBondContact O-N 2.8Å; H85-V88 VanDerWaalsContact O-N 3.14Å; R86-V88 VanDerWaalsContact C-N 3.29Å; R86-V88 PolarHBondContact O-N 2.87Å; V88-L91 PolarHBondContact O-N 3.47Å; V88-D92 WeakPolarHBondContact O-CB 3.17Å; V88-D92 PolarHBondContact O-N 3.18Å
89E97.2Very high97Very high71 Ų7149.4 Ų49.433%0.33226%0.256SS..Hα-helixtrans-65-37.7176-67.7-178.314300112.9H85 R86 Y87 D92 K93H85-E89 IonicContact NE2-OE1 2.85Å; H85-E89 WeakPolarHBondContact O-CG 3.45Å; H85-E89 PolarHBondContact O-N 3.44Å; R86-E89 IonicContact NE-OE2 2.71Å; R86-E89 PolarHBondContact NE-OE2 3.25Å; R86-E89 WeakPolarHBondContact O-CB 3.48Å; R86-E89 PolarHBondContact O-N 2.99Å; R86-E89 VanDerWaalsContact O-N 3.15Å; Y87-E89 PolarHBondContact O-N 2.85Å; E89-D92 PolarHBondContact O-N 3.14Å; E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 3.4Å; E89-K93 VanDerWaalsContact O-N 3.13Å
90I97.6Very high96.9Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-67.1-46.3176.8-63.5161.3000109.3R86 Y87 D92 K93 Y94 V113 Y117 A128 I131 L132R86-I90 HydrophobicContact CG-CD1 3.85Å; R86-I90 HydrophobicContact CG-CG1 4.41Å; R86-I90 VanDerWaalsContact O-CG1 3.29Å; R86-I90 WeakPolarHBondContact O-CG1 3.36Å; R86-I90 PolarHBondContact O-N 3.17Å; Y87-I90 PolarHBondContact O-N 3.09Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-D92 PolarHBondContact O-N 2.77Å; I90-K93 PolarHBondContact O-N 2.99Å; I90-Y94 WeakPolarHBondContact O-CB 3.38Å; I90-Y94 PolarHBondContact O-N 3.3Å; I90-V113 HydrophobicContact CB-CG1 4.31Å; I90-V113 HydrophobicContact CG2-CG1 3.47Å; I90-V113 VanDerWaalsContact CG2-CG1 3.47Å; I90-Y117 HydrophobicContact CD1-CD1 4.31Å; I90-Y117 HydrophobicContact CD1-CD2 4.07Å; I90-Y117 HydrophobicContact CD1-CG 3.97Å; I90-A128 HydrophobicContact CG1-CB 4.16Å; I90-I131 HydrophobicContact CD1-CD1 3.6Å; I90-I131 HydrophobicContact CD1-CG2 4.37Å; I90-I131 HydrophobicContact CG2-CG2 3.9Å; I90-L132 HydrophobicContact CG2-CD2 4.11Å; I90-L132 HydrophobicContact CG2-CG 4.45Å
91L97.7Very high96.8Very high1 Ų150.4 Ų50.41%0.00526%0.261CS..Hα-helixtrans-57.9-42.4174.6-72.8172.7000112F67 Y87 V88 K93 Y94 F95 V98 I103 A110 V113F67-L91 HydrophobicContact CE1-CD1 4.45Å; Y87-L91 HydrophobicContact CD1-CD1 3.92Å; Y87-L91 HydrophobicContact CD2-CG 4.37Å; Y87-L91 HydrophobicContact CE1-CD1 3.51Å; Y87-L91 HydrophobicContact CE1-CG 4.29Å; Y87-L91 HydrophobicContact CE2-CD1 4.14Å; Y87-L91 HydrophobicContact CE2-CD2 4.17Å; Y87-L91 HydrophobicContact CE2-CG 4Å; Y87-L91 HydrophobicContact CG-CD1 4.42Å; Y87-L91 WeakPolarHBondContact O-CG 3.44Å; Y87-L91 PolarHBondContact O-N 3.4Å; V88-L91 PolarHBondContact O-N 3.47Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 2.97Å; L91-Y94 PolarHBondContact O-N 3.13Å; L91-F95 HydrophobicContact CD2-CD2 4.31Å; L91-F95 HydrophobicContact CD2-CE2 3.86Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 3.15Å; L91-V98 HydrophobicContact CB-CB 4.48Å; L91-V98 HydrophobicContact CB-CG1 4.27Å; L91-V98 HydrophobicContact CB-CG2 4.26Å; L91-I103 HydrophobicContact CD1-CD1 4.27Å; L91-A110 HydrophobicContact CD2-CB 4.24Å; L91-V113 HydrophobicContact CD2-CB 4.22Å; L91-V113 HydrophobicContact CD2-CG1 4.04Å; L91-V113 HydrophobicContact CD2-CG2 4.4Å; L91-V113 HydrophobicContact CG-CG1 4.45Å
92D97.1Very high96.8Very high69 Ų6951.2 Ų51.237%0.36927%0.265SS..Hα-helixtrans-63.5-39.7-179.9-17061000112.8V88 E89 I90 G96 N97 V98V88-D92 WeakPolarHBondContact O-CB 3.17Å; V88-D92 PolarHBondContact O-N 3.18Å; E89-D92 PolarHBondContact O-N 3.14Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-D92 PolarHBondContact O-N 2.77Å; D92-G96 VanDerWaalsContact O-CA 3.3Å; D92-G96 WeakPolarHBondContact O-CA 3.45Å; D92-G96 PolarHBondContact O-N 3.46Å; D92-N97 PolarHBondContact O-N 3.22Å; D92-N97 VanDerWaalsContact OD1-CA 3.23Å; D92-N97 WeakPolarHBondContact OD1-CA 3.32Å; D92-V98 HydrophobicContact CB-CG1 3.84Å; D92-V98 PolarHBondContact OD1-N 2.81Å
93K96.6Very high96.7Very high118 Ų11846.1 Ų46.151%0.51324%0.241SC..Hα-helixtrans-70.9-39.8175-71.6172.4-175.7168.70112.4E89 I90 L91 L132E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 3.4Å; E89-K93 VanDerWaalsContact O-N 3.13Å; I90-K93 PolarHBondContact O-N 2.99Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 2.97Å; K93-L132 HydrophobicContact CB-CD1 3.64Å; K93-L132 HydrophobicContact CB-CD2 4.28Å; K93-L132 HydrophobicContact CD-CD1 3.71Å; K93-L132 HydrophobicContact CG-CD1 4.32Å
94Y97.1Very high96.7Very high47 Ų4748.2 Ų48.218%0.18425%0.252CS..Hα-helixtrans-66.2-49.2180179.1-102.1000111.9I90 L91 K109 V113 L132 I135 D139I90-Y94 WeakPolarHBondContact O-CB 3.38Å; I90-Y94 PolarHBondContact O-N 3.3Å; L91-Y94 PolarHBondContact O-N 3.13Å; Y94-K109 HydrophobicContact CE1-CB 3.86Å; Y94-K109 HydrophobicContact CE1-CG 4.44Å; Y94-K109 WeakPolarHBondContact OH-CD 3.49Å; Y94-V113 HydrophobicContact CD1-CG2 3.97Å; Y94-V113 HydrophobicContact CD2-CG2 4.41Å; Y94-V113 HydrophobicContact CE1-CG2 4.29Å; Y94-V113 HydrophobicContact CG-CG2 4.03Å; Y94-L132 HydrophobicContact CD2-CD2 4.49Å; Y94-I135 HydrophobicContact CD2-CG2 3.81Å; Y94-I135 HydrophobicContact CE2-CG2 3.38Å; Y94-D139 VanDerWaalsContact CE2-OD2 3.31Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.41Å; Y94-D139 PolarHBondContact OH-OD2 2.9Å
95F96.5Very high96.6Very high45 Ų4554.8 Ų54.820%0.19728%0.281CS..Hα-helixtrans-84.9-19.9-178.9-72.4-68.6000114.2L91 V98 D102 H106 K109L91-F95 HydrophobicContact CD2-CD2 4.31Å; L91-F95 HydrophobicContact CD2-CE2 3.86Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 3.15Å; F95-V98 HydrophobicContact CB-CB 4.09Å; F95-V98 HydrophobicContact CB-CG2 4.22Å; F95-V98 HydrophobicContact CD2-CB 4.29Å; F95-V98 HydrophobicContact CD2-CG2 3.66Å; F95-V98 HydrophobicContact CE2-CG2 4.44Å; F95-V98 HydrophobicContact CG-CG2 4.23Å; F95-D102 HydrophobicContact CD1-CB 3.9Å; F95-D102 HydrophobicContact CD2-CB 4.42Å; F95-D102 HydrophobicContact CE1-CB 4.18Å; F95-D102 HydrophobicContact CG-CB 4.03Å; F95-H106 HydrophobicContact CE1-CB 3.82Å; F95-H106 AromaticContact CE1-ND1 3.96Å; F95-H106 HydrophobicContact CZ-CB 4.01Å; F95-K109 HydrophobicContact CZ-CB 4.21Å
96G93.8Very high96.5Very high48 Ų4856.4 Ų56.450%0.49529%0.288SS..THydrogen-bonded Turntrans72.476.3-176.600000113.1D92D92-G96 VanDerWaalsContact O-CA 3.3Å; D92-G96 WeakPolarHBondContact O-CA 3.45Å; D92-G96 PolarHBondContact O-N 3.46Å
97N92.4Very high96.4Very high138 Ų13858 Ų5874%0.73830%0.297SS*.SBendtrans75.168.7-168.4-49.8-78.3000112.4D92 C99D92-N97 PolarHBondContact O-N 3.22Å; D92-N97 VanDerWaalsContact OD1-CA 3.23Å; D92-N97 WeakPolarHBondContact OD1-CA 3.32Å; N97-C99 PolarHBondContact O-N 3.14Å
98V96.1Very high96.3Very high34 Ų3460.9 Ų60.921%0.20631%0.311CS..  trans-62.1134.6-174.266.80000112L91 D92 F95 D102 I103L91-V98 HydrophobicContact CB-CB 4.48Å; L91-V98 HydrophobicContact CB-CG1 4.27Å; L91-V98 HydrophobicContact CB-CG2 4.26Å; D92-V98 HydrophobicContact CB-CG1 3.84Å; D92-V98 PolarHBondContact OD1-N 2.81Å; F95-V98 HydrophobicContact CB-CB 4.09Å; F95-V98 HydrophobicContact CB-CG2 4.22Å; F95-V98 HydrophobicContact CD2-CB 4.29Å; F95-V98 HydrophobicContact CD2-CG2 3.66Å; F95-V98 HydrophobicContact CE2-CG2 4.44Å; F95-V98 HydrophobicContact CG-CG2 4.23Å; V98-D102 HydrophobicContact CG2-CB 4.46Å; V98-I103 HydrophobicContact CG2-CD1 4.34Å; V98-I103 HydrophobicContact CG2-CG1 4.21Å
99C95.8Very high96.2Very high59 Ų5961.2 Ų61.240%0.39931%0.311SS..  trans-122.7169169.178.60000111.9N97 L101 D102N97-C99 PolarHBondContact O-N 3.14Å; C99-L101 PolarHBondContact O-N 3.26Å; C99-L101 VanDerWaalsContact SG-CB 3.58Å; C99-L101 PolarHBondContact SG-N 3.41Å; C99-D102 PolarHBondContact N-OD2 2.99Å; C99-D102 PolarHBondContact O-N 3.37Å; C99-D102 PolarHBondContact SG-OD2 3.45Å
100E96.1Very high96.2Very high36 Ų3657.9 Ų57.917%0.16830%0.295CS..Hα-helixtrans-57.6-31.5177.4173175.6178.100112S9 R15 S64 L65 I103 I104S9-E100 WeakPolarHBondContact CB-OE1 3.25Å; R15-E100 IonicContact CZ-OE1 3.36Å; R15-E100 VanDerWaalsContact CZ-OE1 3.29Å; R15-E100 IonicContact NE-OE1 3.77Å; R15-E100 PolarHBondContact NE-OE1 3.49Å; R15-E100 IonicContact NH2-OE1 3.99Å; R15-E100 PolarHBondContact NH2-OE1 2.6Å; S64-E100 WeakPolarHBondContact CB-OE2 3.37Å; S64-E100 PolarHBondContact OG-OE2 3.2Å; L65-E100 HydrophobicContact CD1-CB 3.91Å; L65-E100 HydrophobicContact CD1-CG 4.2Å; L65-E100 HydrophobicContact CD2-CB 4.36Å; L65-E100 HydrophobicContact CD2-CG 3.85Å; L65-E100 HydrophobicContact CG-CB 3.99Å; L65-E100 HydrophobicContact CG-CG 4.06Å; E100-I103 PolarHBondContact O-N 2.93Å; E100-I104 HydrophobicContact CG-CD1 3.87Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.32Å; E100-I104 PolarHBondContact O-N 3.12Å; E100-I104 VanDerWaalsContact O-N 3.09Å
101L96.4Very high96.2Very high93 Ų9360.4 Ų60.449%0.48731%0.305SS..Hα-helixtrans-68.8-35.7-177.3-162.763.8000111.8C99 I103 I104 F105C99-L101 PolarHBondContact O-N 3.26Å; C99-L101 VanDerWaalsContact SG-CB 3.58Å; C99-L101 PolarHBondContact SG-N 3.41Å; L101-I103 VanDerWaalsContact C-N 3.33Å; L101-I103 PolarHBondContact O-N 3.36Å; L101-I104 HydrophobicContact CD1-CD1 4.46Å; L101-I104 WeakPolarHBondContact O-CB 3.38Å; L101-I104 PolarHBondContact O-N 3.49Å; L101-I104 VanDerWaalsContact O-N 3.13Å; L101-F105 HydrophobicContact CD1-CD2 3.94Å; L101-F105 HydrophobicContact CD1-CE2 3.45Å; L101-F105 VanDerWaalsContact CD1-CE2 3.45Å; L101-F105 HydrophobicContact CD1-CZ 4.34Å; L101-F105 HydrophobicContact CD2-CD2 4.41Å; L101-F105 HydrophobicContact CD2-CE2 3.91Å; L101-F105 HydrophobicContact CG-CD2 3.65Å; L101-F105 HydrophobicContact CG-CE2 3.45Å; L101-F105 VanDerWaalsContact CG-CE2 3.45Å; L101-F105 WeakPolarHBondContact O-CD2 3.14Å; L101-F105 PolarHBondContact O-N 2.98Å
102D96.9Very high96.2Very high41 Ų4164.2 Ų64.222%0.21932%0.322CS..Hα-helixtrans-63.1-42.3176.2-54.9-46000110.8F95 V98 C99 I104 F105 H106F95-D102 HydrophobicContact CD1-CB 3.9Å; F95-D102 HydrophobicContact CD2-CB 4.42Å; F95-D102 HydrophobicContact CE1-CB 4.18Å; F95-D102 HydrophobicContact CG-CB 4.03Å; V98-D102 HydrophobicContact CG2-CB 4.46Å; C99-D102 PolarHBondContact N-OD2 2.99Å; C99-D102 PolarHBondContact O-N 3.37Å; C99-D102 PolarHBondContact SG-OD2 3.45Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 3.43Å; D102-F105 PolarHBondContact O-N 3.21Å; D102-H106 WeakPolarHBondContact O-CB 3.43Å; D102-H106 PolarHBondContact O-N 3.18Å; D102-H106 PolarHBondContact O-ND1 3.04Å
103I96.9Very high96.2Very high3 Ų360.9 Ų60.92%0.01530%0.304CS..Hα-helixtrans-67.3-29.9176.2-58.2175000111.4L7 R15 L65 L91 V98 E100 L101 F107 A110L7-I103 HydrophobicContact CD2-CD1 4.27Å; R15-I103 HydrophobicContact CB-CG2 4.06Å; L65-I103 HydrophobicContact CD1-CD1 3.71Å; L91-I103 HydrophobicContact CD1-CD1 4.27Å; V98-I103 HydrophobicContact CG2-CD1 4.34Å; V98-I103 HydrophobicContact CG2-CG1 4.21Å; E100-I103 PolarHBondContact O-N 2.93Å; L101-I103 VanDerWaalsContact C-N 3.33Å; L101-I103 PolarHBondContact O-N 3.36Å; I103-F107 WeakPolarHBondContact O-CA 3.35Å; I103-F107 WeakPolarHBondContact O-CB 3.29Å; I103-F107 PolarHBondContact O-N 3.41Å; I103-A110 HydrophobicContact CG2-CB 4.21Å
104I96.7Very high96.2Very high62 Ų6255.3 Ų55.332%0.31828%0.28SS..Hα-helixtrans-72.2-44.9176.2-70.4166.1000111.2R15 E100 L101 D102R15-I104 VanDerWaalsContact CZ-CD1 3.41Å; E100-I104 HydrophobicContact CG-CD1 3.87Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.32Å; E100-I104 PolarHBondContact O-N 3.12Å; E100-I104 VanDerWaalsContact O-N 3.09Å; L101-I104 HydrophobicContact CD1-CD1 4.46Å; L101-I104 WeakPolarHBondContact O-CB 3.38Å; L101-I104 PolarHBondContact O-N 3.49Å; L101-I104 VanDerWaalsContact O-N 3.13Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 3.43Å
105F96.5Very high96.3Very high138 Ų13855.7 Ų55.761%0.60529%0.285SS*.Hα-helixtrans-80.9-33.3-175.6-77.6-63.3000113.4L101 D102L101-F105 HydrophobicContact CD1-CD2 3.94Å; L101-F105 HydrophobicContact CD1-CE2 3.45Å; L101-F105 VanDerWaalsContact CD1-CE2 3.45Å; L101-F105 HydrophobicContact CD1-CZ 4.34Å; L101-F105 HydrophobicContact CD2-CD2 4.41Å; L101-F105 HydrophobicContact CD2-CE2 3.91Å; L101-F105 HydrophobicContact CG-CD2 3.65Å; L101-F105 HydrophobicContact CG-CE2 3.45Å; L101-F105 VanDerWaalsContact CG-CE2 3.45Å; L101-F105 WeakPolarHBondContact O-CD2 3.14Å; L101-F105 PolarHBondContact O-N 2.98Å; D102-F105 PolarHBondContact O-N 3.21Å
106H95.3Very high96.3Very high83 Ų8355.1 Ų55.138%0.38428%0.283SS..SBendtrans-118.951.3-178.7-48.5106.8000109.9F95 D102 E108 K109 A110F95-H106 HydrophobicContact CE1-CB 3.82Å; F95-H106 AromaticContact CE1-ND1 3.96Å; F95-H106 HydrophobicContact CZ-CB 4.01Å; D102-H106 WeakPolarHBondContact O-CB 3.43Å; D102-H106 PolarHBondContact O-N 3.18Å; D102-H106 PolarHBondContact O-ND1 3.04Å; H106-E108 VanDerWaalsContact C-N 3.25Å; H106-E108 PolarHBondContact O-N 2.62Å; H106-K109 HydrophobicContact CB-CB 4.16Å; H106-K109 HydrophobicContact CB-CG 4.15Å; H106-K109 PolarHBondContact O-N 3.03Å; H106-A110 PolarHBondContact O-N 3.34Å; H106-A110 VanDerWaalsContact O-N 3.17Å
107F96.1Very high96.5Very high111 Ų11153.2 Ų53.249%0.48726%0.261SS..Hα-helixtrans-62.9-37.2-174.971.7-89.2000111.1I103 K109 A110 Y111I103-F107 WeakPolarHBondContact O-CA 3.35Å; I103-F107 WeakPolarHBondContact O-CB 3.29Å; I103-F107 PolarHBondContact O-N 3.41Å; F107-K109 VanDerWaalsContact C-N 3.34Å; F107-K109 PolarHBondContact O-N 2.89Å; F107-A110 WeakPolarHBondContact O-CB 3.48Å; F107-A110 PolarHBondContact O-N 3.04Å; F107-Y111 HydrophobicContact CD2-CD2 4.19Å; F107-Y111 HydrophobicContact CD2-CE2 4.15Å; F107-Y111 WeakPolarHBondContact O-CD2 3.42Å; F107-Y111 PolarHBondContact O-N 3.17Å
108E95.5Very high96.7Very high62 Ų6246.7 Ų46.729%0.2923%0.226SC..Hα-helixtrans-59.2-43.2175.866.9-69.6166.800111.7H106 A110 Y111 F112H106-E108 VanDerWaalsContact C-N 3.25Å; H106-E108 PolarHBondContact O-N 2.62Å; E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.85Å; E108-Y111 WeakPolarHBondContact O-CA 3.45Å; E108-Y111 WeakPolarHBondContact O-CB 3.29Å; E108-Y111 PolarHBondContact O-N 2.91Å; E108-Y111 VanDerWaalsContact O-N 3.08Å; E108-F112 HydrophobicContact CB-CZ 4.35Å; E108-F112 WeakPolarHBondContact O-CD1 3.32Å; E108-F112 VanDerWaalsContact O-CG 3.3Å; E108-F112 WeakPolarHBondContact O-CG 3.24Å; E108-F112 PolarHBondContact O-N 2.88Å
109K95.9Very high96.8Very high27 Ų2750 Ų5012%0.11724%0.242CC..Hα-helixtrans-64.5-38.3175.7-61.2-56.4-165.7173.70111.4Y94 F95 H106 F107 Y111 F112 V113 D139Y94-K109 HydrophobicContact CE1-CB 3.86Å; Y94-K109 HydrophobicContact CE1-CG 4.44Å; Y94-K109 WeakPolarHBondContact OH-CD 3.49Å; F95-K109 HydrophobicContact CZ-CB 4.21Å; H106-K109 HydrophobicContact CB-CB 4.16Å; H106-K109 HydrophobicContact CB-CG 4.15Å; H106-K109 PolarHBondContact O-N 3.03Å; F107-K109 VanDerWaalsContact C-N 3.34Å; F107-K109 PolarHBondContact O-N 2.89Å; K109-Y111 VanDerWaalsContact C-N 3.29Å; K109-Y111 PolarHBondContact O-N 3.41Å; K109-F112 HydrophobicContact CD-CD2 3.84Å; K109-F112 HydrophobicContact CD-CE2 4.23Å; K109-F112 PolarHBondContact O-N 2.9Å; K109-V113 WeakPolarHBondContact O-CB 3.48Å; K109-V113 WeakPolarHBondContact O-CG2 3.36Å; K109-V113 PolarHBondContact O-N 2.99Å; K109-D139 IonicContact NZ-OD1 2.64Å; K109-D139 PolarHBondContact NZ-OD1 2.83Å
110A97.7Very high96.8Very high0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-62.3-35.7173.200000112.6L16 Y87 L91 I103 H106 F107 E108 L114L16-A110 HydrophobicContact CD1-CB 4.3Å; Y87-A110 PolarHBondContact OH-O 2.8Å; L91-A110 HydrophobicContact CD2-CB 4.24Å; I103-A110 HydrophobicContact CG2-CB 4.21Å; H106-A110 PolarHBondContact O-N 3.34Å; H106-A110 VanDerWaalsContact O-N 3.17Å; F107-A110 WeakPolarHBondContact O-CB 3.48Å; F107-A110 PolarHBondContact O-N 3.04Å; E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.85Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 3.07Å
111Y97.8Very high96.9Very high53 Ų5348.9 Ų48.921%0.20824%0.243CC..Hα-helixtrans-68.3-41.7171.5-81.2-82.6000112.3L16 Q17 K18 F107 E108 K109 L114 D115L16-Y111 HydrophobicContact CD1-CD1 4.12Å; L16-Y111 HydrophobicContact CD1-CD2 4.18Å; L16-Y111 HydrophobicContact CD1-CE1 4.15Å; L16-Y111 HydrophobicContact CD1-CE2 4.18Å; L16-Y111 HydrophobicContact CD1-CG 4.14Å; L16-Y111 HydrophobicContact CD2-CE1 4.28Å; L16-Y111 HydrophobicContact CG-CD1 4.24Å; L16-Y111 HydrophobicContact CG-CD2 4.48Å; L16-Y111 HydrophobicContact CG-CE1 3.75Å; L16-Y111 HydrophobicContact CG-CE2 4.01Å; Q17-Y111 PolarHBondContact N-OH 2.9Å; K18-Y111 HydrophobicContact CD-CD1 4.31Å; K18-Y111 HydrophobicContact CD-CE1 4.4Å; F107-Y111 HydrophobicContact CD2-CD2 4.19Å; F107-Y111 HydrophobicContact CD2-CE2 4.15Å; F107-Y111 WeakPolarHBondContact O-CD2 3.42Å; F107-Y111 PolarHBondContact O-N 3.17Å; E108-Y111 WeakPolarHBondContact O-CA 3.45Å; E108-Y111 WeakPolarHBondContact O-CB 3.29Å; E108-Y111 PolarHBondContact O-N 2.91Å; E108-Y111 VanDerWaalsContact O-N 3.08Å; K109-Y111 VanDerWaalsContact C-N 3.29Å; K109-Y111 PolarHBondContact O-N 3.41Å; Y111-L114 WeakPolarHBondContact O-CB 3.32Å; Y111-L114 PolarHBondContact O-N 2.85Å; Y111-L114 VanDerWaalsContact O-N 3.16Å; Y111-D115 WeakPolarHBondContact O-CB 3.49Å; Y111-D115 VanDerWaalsContact O-CG 3.25Å; Y111-D115 PolarHBondContact O-N 3.34Å
112F96.6Very high96.9Very high81 Ų8149.3 Ų49.336%0.35524%0.243SC..Hα-helixtrans-63.1-45.1177.6-59.5-20.2000111.5E108 K109 L114 D115 E116E108-F112 HydrophobicContact CB-CZ 4.35Å; E108-F112 WeakPolarHBondContact O-CD1 3.32Å; E108-F112 VanDerWaalsContact O-CG 3.3Å; E108-F112 WeakPolarHBondContact O-CG 3.24Å; E108-F112 PolarHBondContact O-N 2.88Å; K109-F112 HydrophobicContact CD-CD2 3.84Å; K109-F112 HydrophobicContact CD-CE2 4.23Å; K109-F112 PolarHBondContact O-N 2.9Å; F112-L114 PolarHBondContact O-N 2.82Å; F112-D115 PolarHBondContact O-N 2.93Å; F112-D115 VanDerWaalsContact O-N 3.16Å; F112-E116 PolarHBondContact O-N 2.92Å
113V97.3Very high97Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-58.2-40.2173.4177.10000111.2Y87 I90 L91 Y94 K109 Y117 I135Y87-V113 HydrophobicContact CD2-CG1 4.4Å; Y87-V113 HydrophobicContact CE2-CB 4.38Å; Y87-V113 HydrophobicContact CE2-CG1 3.94Å; I90-V113 HydrophobicContact CB-CG1 4.31Å; I90-V113 HydrophobicContact CG2-CG1 3.47Å; I90-V113 VanDerWaalsContact CG2-CG1 3.47Å; L91-V113 HydrophobicContact CD2-CB 4.22Å; L91-V113 HydrophobicContact CD2-CG1 4.04Å; L91-V113 HydrophobicContact CD2-CG2 4.4Å; L91-V113 HydrophobicContact CG-CG1 4.45Å; Y94-V113 HydrophobicContact CD1-CG2 3.97Å; Y94-V113 HydrophobicContact CD2-CG2 4.41Å; Y94-V113 HydrophobicContact CE1-CG2 4.29Å; Y94-V113 HydrophobicContact CG-CG2 4.03Å; K109-V113 WeakPolarHBondContact O-CB 3.48Å; K109-V113 WeakPolarHBondContact O-CG2 3.36Å; K109-V113 PolarHBondContact O-N 2.99Å; V113-Y117 PolarHBondContact O-N 2.86Å; V113-I135 HydrophobicContact CB-CD1 4.07Å; V113-I135 HydrophobicContact CG1-CD1 4.07Å; V113-I135 HydrophobicContact CG2-CD1 3.87Å
114L97.9Very high97Very high0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-67.8-40.9178.3-175.460.6000111.7M5 L16 K18 Y87 A110 Y111 F112 E116 Y117 L118M5-L114 HydrophobicContact SD-CD1 3.73Å; M5-L114 HydrophobicContact SD-CD2 4.34Å; L16-L114 HydrophobicContact CD1-CD2 4.15Å; L16-L114 HydrophobicContact CD2-CD2 3.69Å; K18-L114 HydrophobicContact CB-CD2 3.74Å; K18-L114 HydrophobicContact CG-CD2 4.04Å; Y87-L114 HydrophobicContact CD1-CD1 4.42Å; Y87-L114 HydrophobicContact CD2-CD1 3.85Å; Y87-L114 HydrophobicContact CE1-CD1 4.27Å; Y87-L114 HydrophobicContact CE2-CB 3.65Å; Y87-L114 HydrophobicContact CE2-CD1 3.72Å; Y87-L114 HydrophobicContact CE2-CG 4.28Å; Y87-L114 HydrophobicContact CG-CD1 4.21Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 3.07Å; Y111-L114 WeakPolarHBondContact O-CB 3.32Å; Y111-L114 PolarHBondContact O-N 2.85Å; Y111-L114 VanDerWaalsContact O-N 3.16Å; F112-L114 PolarHBondContact O-N 2.82Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-Y117 PolarHBondContact O-N 3.4Å; L114-Y117 VanDerWaalsContact O-N 3.17Å; L114-L118 HydrophobicContact CD1-CB 4.36Å; L114-L118 HydrophobicContact CD1-CD1 3.86Å; L114-L118 HydrophobicContact CD1-CG 4.17Å; L114-L118 PolarHBondContact O-N 3.18Å
115D97.4Very high96.9Very high56 Ų5654.3 Ų54.330%0.29927%0.267SS..Hα-helixtrans-72.8-28-175.8-73.40.2000112.3K18 Y111 F112 Y117K18-D115 WeakPolarHBondContact CE-OD1 3.46Å; K18-D115 IonicContact NZ-OD1 2.93Å; K18-D115 PolarHBondContact NZ-OD1 3.12Å; K18-D115 IonicContact NZ-OD2 2.63Å; K18-D115 PolarHBondContact NZ-OD2 3.49Å; Y111-D115 WeakPolarHBondContact O-CB 3.49Å; Y111-D115 VanDerWaalsContact O-CG 3.25Å; Y111-D115 PolarHBondContact O-N 3.34Å; F112-D115 PolarHBondContact O-N 2.93Å; F112-D115 VanDerWaalsContact O-N 3.16Å; D115-Y117 VanDerWaalsContact C-N 3.31Å
116E96.8Very high96.9Very high32 Ų3252.6 Ų52.615%0.1527%0.268CS..Hα-helixtrans-73.6-26.3170.8-161.560-14100112.1F112 L114 I131 V134 I135 Q138F112-E116 PolarHBondContact O-N 2.92Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-I131 HydrophobicContact CB-CG2 4.16Å; E116-I131 HydrophobicContact CG-CG2 4.07Å; E116-V134 VanDerWaalsContact CD-CG1 3.46Å; E116-V134 HydrophobicContact CG-CB 4.26Å; E116-V134 HydrophobicContact CG-CG1 4.19Å; E116-V134 WeakPolarHBondContact OE1-CG1 3.48Å; E116-I135 HydrophobicContact CB-CD1 4.28Å; E116-I135 HydrophobicContact CB-CG1 4.1Å; E116-I135 HydrophobicContact CG-CG1 4.19Å; E116-Q138 PolarHBondContact OE2-NE2 3.08Å
117Y98Very high96.8Very high9 Ų949.4 Ų49.44%0.03526%0.257CS..Hα-helixtrans-89.2-46.4-179.5179.4-137.3000113.3I83 R86 Y87 I90 V113 L114 D115 V123 Q124 E125 I131I83-Y117 WeakPolarHBondContact CA-OH 3.49Å; I83-Y117 HydrophobicContact CG2-CE1 3.81Å; I83-Y117 WeakPolarHBondContact O-CE1 3.32Å; R86-Y117 HydrophobicContact CB-CE1 4.35Å; R86-Y117 HydrophobicContact CG-CE1 4.24Å; R86-Y117 HydrophobicContact CG-CE2 3.93Å; Y87-Y117 HydrophobicContact CD2-CD1 4.22Å; I90-Y117 HydrophobicContact CD1-CD1 4.31Å; I90-Y117 HydrophobicContact CD1-CD2 4.07Å; I90-Y117 HydrophobicContact CD1-CG 3.97Å; V113-Y117 PolarHBondContact O-N 2.86Å; L114-Y117 PolarHBondContact O-N 3.4Å; L114-Y117 VanDerWaalsContact O-N 3.17Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; Y117-V123 HydrophobicContact CD2-CG1 4.41Å; Y117-V123 HydrophobicContact CE2-CG1 3.8Å; Y117-Q124 PolarHBondContact O-N 2.74Å; Y117-E125 VanDerWaalsContact CD2-O 3.22Å; Y117-E125 WeakPolarHBondContact CD2-O 3.48Å; Y117-E125 VanDerWaalsContact CE2-O 3.28Å; Y117-E125 WeakPolarHBondContact CE2-O 3.35Å; Y117-I131 HydrophobicContact CD2-CD1 3.59Å; Y117-I131 HydrophobicContact CE2-CD1 4.44Å; Y117-I131 HydrophobicContact CG-CD1 4.22Å
118L97.9Very high96.7Very high1 Ų144.8 Ų44.81%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-121.4128.2-175.7-65.3-173.8000110.6I2 M5 Y20 I83 L114 E122 V123I2-L118 HydrophobicContact CD1-CD1 4.06Å; I2-L118 HydrophobicContact CD1-CD2 4.44Å; M5-L118 HydrophobicContact SD-CD1 4.22Å; Y20-L118 WeakPolarHBondContact OH-CB 3.32Å; I83-L118 HydrophobicContact CG2-CD1 4.1Å; I83-L118 HydrophobicContact CG2-CD2 3.95Å; L114-L118 HydrophobicContact CD1-CB 4.36Å; L114-L118 HydrophobicContact CD1-CD1 3.86Å; L114-L118 HydrophobicContact CD1-CG 4.17Å; L114-L118 PolarHBondContact O-N 3.18Å; L118-E122 WeakPolarHBondContact CA-O 3.45Å; L118-V123 HydrophobicContact CD2-CB 4.24Å; L118-V123 HydrophobicContact CD2-CG2 3.67Å
119L97.1Very high96.6Very high102 Ų10249.6 Ų49.653%0.53426%0.259SS..EExtended strand (participates in β ladder)trans-131.6135.3176.2-17366.7000110.3G121 E122 Q124L119-G121 PolarHBondContact O-N 2.91Å; L119-E122 PolarHBondContact N-O 3.4Å; L119-E122 PolarHBondContact O-N 3.19Å; L119-E122 VanDerWaalsContact O-O 3.11Å; L119-Q124 HydrophobicContact CB-CB 4.16Å; L119-Q124 VanDerWaalsContact CB-OE1 3.28Å; L119-Q124 VanDerWaalsContact CD2-OE1 3.29Å
120A96.9Very high96.7Very high72 Ų7253.2 Ų53.260%0.59528%0.276SS*.THydrogen-bonded Turntrans51.731.5177.900000114.8
121G97.2Very high96.6Very high0 Ų053.2 Ų53.20%028%0.277CS..THydrogen-bonded Turntrans82.89.3179.200000114.7I2 Y20 L119I2-G121 WeakPolarHBondContact CB-O 3.48Å; I2-G121 PolarHBondContact N-O 2.88Å; I2-G121 VanDerWaalsContact O-CA 3.24Å; I2-G121 WeakPolarHBondContact O-CA 3.3Å; Y20-G121 VanDerWaalsContact CG-CA 3.48Å; L119-G121 PolarHBondContact O-N 2.91Å
122E97.5Very high96.6Very high103 Ų10352 Ų5248%0.48127%0.273SS..EExtended strand (participates in β ladder)trans-129.2161179-62.4-61.7163.100111.1M1 L118 L119 Q124M1-E122 WeakPolarHBondContact CA-OE1 3.08Å; M1-E122 WeakPolarHBondContact CB-OE1 3.43Å; M1-E122 PolarHBondContact N-OE1 3.5Å; L118-E122 WeakPolarHBondContact CA-O 3.45Å; L119-E122 PolarHBondContact N-O 3.4Å; L119-E122 PolarHBondContact O-N 3.19Å; L119-E122 VanDerWaalsContact O-O 3.11Å; E122-Q124 PolarHBondContact O-N 3.02Å
123V97.5Very high96.6Very high49 Ų4951.8 Ų51.830%0.29728%0.282SS..EExtended strand (participates in β ladder)trans-74.2121.4175.5178.90000109.4I83 Y117 L118 E125 T126I83-V123 HydrophobicContact CD1-CG2 3.46Å; I83-V123 VanDerWaalsContact CD1-CG2 3.46Å; I83-V123 HydrophobicContact CG1-CG2 3.7Å; Y117-V123 HydrophobicContact CD2-CG1 4.41Å; Y117-V123 HydrophobicContact CE2-CG1 3.8Å; L118-V123 HydrophobicContact CD2-CB 4.24Å; L118-V123 HydrophobicContact CD2-CG2 3.67Å; V123-E125 WeakPolarHBondContact CG1-O 3.31Å; V123-T126 HydrophobicContact CG1-CG2 3.9Å
124Q97.1Very high96.6Very high95 Ų9554.5 Ų54.544%0.44430%0.298SS..  trans-85.3-51.1176.1174.4177.5-39.800111Y117 L119 E122Y117-Q124 PolarHBondContact O-N 2.74Å; L119-Q124 HydrophobicContact CB-CB 4.16Å; L119-Q124 VanDerWaalsContact CB-OE1 3.28Å; L119-Q124 VanDerWaalsContact CD2-OE1 3.29Å; E122-Q124 PolarHBondContact O-N 3.02Å
125E95.9Very high96.5Very high67 Ų6754.5 Ų54.531%0.31330%0.299SS..  trans-126.2137.9-176.1-177.452.8-99.200110.5Y117 V123 G127 E130 I131Y117-E125 VanDerWaalsContact CD2-O 3.22Å; Y117-E125 WeakPolarHBondContact CD2-O 3.48Å; Y117-E125 VanDerWaalsContact CE2-O 3.28Å; Y117-E125 WeakPolarHBondContact CE2-O 3.35Å; V123-E125 WeakPolarHBondContact CG1-O 3.31Å; E125-G127 PolarHBondContact OE1-N 3.49Å; E125-E130 HydrophobicContact CG-CB 4.27Å; E125-I131 HydrophobicContact CB-CD1 4.05Å; E125-I131 HydrophobicContact CB-CG1 3.76Å; E125-I131 HydrophobicContact CG-CD1 4.04Å; E125-I131 HydrophobicContact CG-CG1 3.53Å
126T94.8Very high96.4Very high102 Ų10256 Ų5663%0.62631%0.306SS*.  trans-107.9-13.9179.263.10000112.5R86 V123 A128R86-T126 PolarHBondContact NH1-O 3.25Å; V123-T126 HydrophobicContact CG1-CG2 3.9Å; T126-A128 PolarHBondContact O-N 3.41Å
127G94Very high96.4Very high15 Ų1556.8 Ų56.816%0.15532%0.318CS..  trans-81.1105174.800000111.8E125 K129 E130 I131E125-G127 PolarHBondContact OE1-N 3.49Å; G127-K129 PolarHBondContact O-N 3.07Å; G127-E130 WeakPolarHBondContact CA-OE2 3.47Å; G127-E130 PolarHBondContact O-N 3.45Å; G127-I131 WeakPolarHBondContact O-CG1 3.35Å; G127-I131 PolarHBondContact O-N 2.84Å
128A93Very high96.2Very high14 Ų1459.9 Ų59.912%0.11633%0.333CS..Hα-helixtrans-62.7-25.9178.700000113I90 T126 L132I90-A128 HydrophobicContact CG1-CB 4.16Å; T126-A128 PolarHBondContact O-N 3.41Å; A128-L132 WeakPolarHBondContact O-CD1 3.37Å; A128-L132 WeakPolarHBondContact O-CG 3.49Å; A128-L132 PolarHBondContact O-N 3.45Å
129K95.2Very high96.1Very high164 Ų16461 Ų6171%0.71334%0.339SS*.Hα-helixtrans-75.7-40177.4-68.3-178.3178.4-1790111G127 L132 S133G127-K129 PolarHBondContact O-N 3.07Å; K129-L132 PolarHBondContact O-N 3.47Å; K129-S133 WeakPolarHBondContact O-CB 3.44Å; K129-S133 PolarHBondContact O-N 3.05Å
130E96.4Very high95.9Very high102 Ų10260.9 Ų60.948%0.47734%0.338SS..Hα-helixtrans-64.8-46.4179-68.463.2-147.500109.8E125 G127 L132 S133 V134E125-E130 HydrophobicContact CG-CB 4.27Å; G127-E130 WeakPolarHBondContact CA-OE2 3.47Å; G127-E130 PolarHBondContact O-N 3.45Å; E130-L132 PolarHBondContact O-N 3.16Å; E130-S133 PolarHBondContact O-N 3.49Å; E130-V134 WeakPolarHBondContact O-CG2 3.29Å; E130-V134 PolarHBondContact O-N 2.78Å
131I96.9Very high95.8Very high1 Ų162 Ų621%0.00533%0.333CS..Hα-helixtrans-55.3-51.6173.5-66.8165.5000111.1I90 E116 Y117 E125 G127 S133 V134 I135I90-I131 HydrophobicContact CD1-CD1 3.6Å; I90-I131 HydrophobicContact CD1-CG2 4.37Å; I90-I131 HydrophobicContact CG2-CG2 3.9Å; E116-I131 HydrophobicContact CB-CG2 4.16Å; E116-I131 HydrophobicContact CG-CG2 4.07Å; Y117-I131 HydrophobicContact CD2-CD1 3.59Å; Y117-I131 HydrophobicContact CE2-CD1 4.44Å; Y117-I131 HydrophobicContact CG-CD1 4.22Å; E125-I131 HydrophobicContact CB-CD1 4.05Å; E125-I131 HydrophobicContact CB-CG1 3.76Å; E125-I131 HydrophobicContact CG-CD1 4.04Å; E125-I131 HydrophobicContact CG-CG1 3.53Å; G127-I131 WeakPolarHBondContact O-CG1 3.35Å; G127-I131 PolarHBondContact O-N 2.84Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 3.14Å; I131-V134 PolarHBondContact O-N 3Å; I131-I135 HydrophobicContact CG2-CD1 3.51Å; I131-I135 HydrophobicContact CG2-CG1 4.4Å; I131-I135 WeakPolarHBondContact O-CD1 3.34Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.38Å; I131-I135 PolarHBondContact O-N 3.09Å
132L96.7Very high95.5Very high27 Ų2766 Ų6614%0.14135%0.352CS..Hα-helixtrans-62.2-42-179.9-71.1166.8000111.9I90 K93 Y94 A128 K129 E130 V134 I135 D136I90-L132 HydrophobicContact CG2-CD2 4.11Å; I90-L132 HydrophobicContact CG2-CG 4.45Å; K93-L132 HydrophobicContact CB-CD1 3.64Å; K93-L132 HydrophobicContact CB-CD2 4.28Å; K93-L132 HydrophobicContact CD-CD1 3.71Å; K93-L132 HydrophobicContact CG-CD1 4.32Å; Y94-L132 HydrophobicContact CD2-CD2 4.49Å; A128-L132 WeakPolarHBondContact O-CD1 3.37Å; A128-L132 WeakPolarHBondContact O-CG 3.49Å; A128-L132 PolarHBondContact O-N 3.45Å; K129-L132 PolarHBondContact O-N 3.47Å; E130-L132 PolarHBondContact O-N 3.16Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 3.14Å; L132-I135 PolarHBondContact O-N 3.5Å; L132-D136 WeakPolarHBondContact O-CB 3.24Å; L132-D136 PolarHBondContact O-N 2.96Å
133S97Very high95.1Very high77 Ų7768.1 Ų68.154%0.53836%0.361SS..Hα-helixtrans-62.1-35.4178.4-175.40000112.9K129 E130 I131 A137K129-S133 WeakPolarHBondContact O-CB 3.44Å; K129-S133 PolarHBondContact O-N 3.05Å; E130-S133 PolarHBondContact O-N 3.49Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 3.14Å; S133-A137 PolarHBondContact O-N 3.49Å
134V96.9Very high94.7Very high56 Ų5672.4 Ų72.434%0.33938%0.383SS..Hα-helixtrans-73.8-42.7177175.60000110.5E116 E130 I131 L132 D136 A137 Q138E116-V134 VanDerWaalsContact CD-CG1 3.46Å; E116-V134 HydrophobicContact CG-CB 4.26Å; E116-V134 HydrophobicContact CG-CG1 4.19Å; E116-V134 WeakPolarHBondContact OE1-CG1 3.48Å; E130-V134 WeakPolarHBondContact O-CG2 3.29Å; E130-V134 PolarHBondContact O-N 2.78Å; I131-V134 PolarHBondContact O-N 3Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 3.14Å; V134-D136 PolarHBondContact O-N 3.46Å; V134-A137 PolarHBondContact O-N 2.76Å; V134-Q138 HydrophobicContact CG1-CG 4.41Å; V134-Q138 WeakPolarHBondContact O-CG 3.46Å; V134-Q138 PolarHBondContact O-N 3.24Å
135I96Very high94.2Very high1 Ų174.9 Ų74.91%0.00539%0.394CS..Hα-helixtrans-61.5-44.4176.7-64.4162.1000110.6Y94 V113 E116 I131 L132 A137 Q138 D139Y94-I135 HydrophobicContact CD2-CG2 3.81Å; Y94-I135 HydrophobicContact CE2-CG2 3.38Å; V113-I135 HydrophobicContact CB-CD1 4.07Å; V113-I135 HydrophobicContact CG1-CD1 4.07Å; V113-I135 HydrophobicContact CG2-CD1 3.87Å; E116-I135 HydrophobicContact CB-CD1 4.28Å; E116-I135 HydrophobicContact CB-CG1 4.1Å; E116-I135 HydrophobicContact CG-CG1 4.19Å; I131-I135 HydrophobicContact CG2-CD1 3.51Å; I131-I135 HydrophobicContact CG2-CG1 4.4Å; I131-I135 WeakPolarHBondContact O-CD1 3.34Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.38Å; I131-I135 PolarHBondContact O-N 3.09Å; L132-I135 PolarHBondContact O-N 3.5Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.39Å; I135-Q138 WeakPolarHBondContact O-CB 3.23Å; I135-Q138 PolarHBondContact O-N 3.28Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; I135-D139 PolarHBondContact O-N 2.89Å
136D95.6Very high93Very high87 Ų8775.8 Ų75.847%0.46540%0.404SS..Hα-helixtrans-59.7-40.9176.8-69.2-16.6000111.3L132 V134 D139 I140L132-D136 WeakPolarHBondContact O-CB 3.24Å; L132-D136 PolarHBondContact O-N 2.96Å; V134-D136 PolarHBondContact O-N 3.46Å; D136-D139 PolarHBondContact O-N 2.91Å; D136-I140 VanDerWaalsContact O-CG1 3.31Å; D136-I140 WeakPolarHBondContact O-CG1 3.36Å; D136-I140 PolarHBondContact O-N 3.07Å; D136-I140 VanDerWaalsContact O-N 3.12Å
137A96Very high91.3Very high48 Ų4874.6 Ų74.640%0.39740%0.398SS..Hα-helixtrans-66.8-39175.600000112.4S133 V134 I135 I140 I141S133-A137 PolarHBondContact O-N 3.49Å; V134-A137 PolarHBondContact O-N 2.76Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.39Å; A137-I140 PolarHBondContact O-N 2.84Å; A137-I141 VanDerWaalsContact O-CG1 3.3Å; A137-I141 WeakPolarHBondContact O-CG1 3.47Å; A137-I141 PolarHBondContact O-N 2.88Å; A137-I141 VanDerWaalsContact O-N 3.13Å
138Q95.3Very high89.5Confident74 Ų7481.7 Ų81.735%0.34643%0.427SS..Hα-helixtrans-65.4-38.7175.2-72173.15.300111.6E116 V134 I135 I141 Q142E116-Q138 PolarHBondContact OE2-NE2 3.08Å; V134-Q138 HydrophobicContact CG1-CG 4.41Å; V134-Q138 WeakPolarHBondContact O-CG 3.46Å; V134-Q138 PolarHBondContact O-N 3.24Å; I135-Q138 WeakPolarHBondContact O-CB 3.23Å; I135-Q138 PolarHBondContact O-N 3.28Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; Q138-I141 PolarHBondContact O-N 3.04Å; Q138-Q142 WeakPolarHBondContact O-CB 3.39Å; Q138-Q142 PolarHBondContact O-N 3.33Å
139D94.5Very high87.4Confident25 Ų2588.1 Ų88.113%0.13445%0.453CS..Hα-helixtrans-64.1-43177.1-77.2-12.1000111.4Y94 K109 I135 D136 I141 Q142 E143Y94-D139 VanDerWaalsContact CE2-OD2 3.31Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.41Å; Y94-D139 PolarHBondContact OH-OD2 2.9Å; K109-D139 IonicContact NZ-OD1 2.64Å; K109-D139 PolarHBondContact NZ-OD1 2.83Å; I135-D139 PolarHBondContact O-N 2.89Å; D136-D139 PolarHBondContact O-N 2.91Å; D139-I141 PolarHBondContact O-N 2.92Å; D139-Q142 PolarHBondContact O-N 2.78Å; D139-E143 WeakPolarHBondContact O-CG 3.47Å; D139-E143 PolarHBondContact O-N 2.93Å
140I94.5Very high85.4Confident99 Ų9986.2 Ų86.251%0.50845%0.45SS..Hα-helixtrans-60.1-46.9174.5-66.8163.5000111D136 A137 Q142 E143 D144D136-I140 VanDerWaalsContact O-CG1 3.31Å; D136-I140 WeakPolarHBondContact O-CG1 3.36Å; D136-I140 PolarHBondContact O-N 3.07Å; D136-I140 VanDerWaalsContact O-N 3.12Å; A137-I140 PolarHBondContact O-N 2.84Å; I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 PolarHBondContact O-N 3.39Å; I140-E143 PolarHBondContact O-N 2.78Å; I140-D144 PolarHBondContact O-N 2.81Å
141I94.2Very high83.3Confident96 Ų9688.8 Ų88.849%0.49246%0.459SS..Hα-helixtrans-61.3-42.7178-67.1164.8000110.4A137 Q138 D139 E143 D144 E145A137-I141 VanDerWaalsContact O-CG1 3.3Å; A137-I141 WeakPolarHBondContact O-CG1 3.47Å; A137-I141 PolarHBondContact O-N 2.88Å; A137-I141 VanDerWaalsContact O-N 3.13Å; Q138-I141 PolarHBondContact O-N 3.04Å; D139-I141 PolarHBondContact O-N 2.92Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 2.96Å; I141-D144 PolarHBondContact O-N 2.71Å; I141-E145 WeakPolarHBondContact O-CG 3.21Å; I141-E145 PolarHBondContact O-N 2.89Å; I141-E145 VanDerWaalsContact O-N 3.09Å
142Q90.7Very high81.2Confident84 Ų8494.5 Ų94.539%0.39349%0.486SS..Hα-helixtrans-61.9-42178.1-171.7-172.8-36.800111.2Q138 D139 I140 E145 V146Q138-Q142 WeakPolarHBondContact O-CB 3.39Å; Q138-Q142 PolarHBondContact O-N 3.33Å; D139-Q142 PolarHBondContact O-N 2.78Å; I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 PolarHBondContact O-N 3.39Å; Q142-E145 PolarHBondContact O-N 3.23Å; Q142-V146 WeakPolarHBondContact O-CG2 3.34Å; Q142-V146 PolarHBondContact O-N 3.22Å
143E89.3Confident79.2Confident147 Ų14799.2 Ų99.269%0.68751%0.511SS*.Hα-helixtrans-63.5-41176.8-73.7179.2-178.400112.4D139 I140 I141 E145 V146D139-E143 WeakPolarHBondContact O-CG 3.47Å; D139-E143 PolarHBondContact O-N 2.93Å; I140-E143 PolarHBondContact O-N 2.78Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 2.96Å; E143-E145 VanDerWaalsContact C-N 3.31Å; E143-E145 PolarHBondContact O-N 3.41Å; E143-V146 PolarHBondContact O-N 3.46Å
144D89.4Confident77Confident139 Ų139103 Ų10374%0.74352%0.521SS*.Hα-helixtrans-66.6-30.7178.1-76.7-21.8000112.9I140 I141I140-D144 PolarHBondContact O-N 2.81Å; I141-D144 PolarHBondContact O-N 2.71Å
145E85.5Confident75Confident147 Ų147104.9 Ų104.969%0.68754%0.537SS*.Hα-helixtrans-80-20.4179.6-74.9-171170.600114I141 Q142 E143 P147I141-E145 WeakPolarHBondContact O-CG 3.21Å; I141-E145 PolarHBondContact O-N 2.89Å; I141-E145 VanDerWaalsContact O-N 3.09Å; Q142-E145 PolarHBondContact O-N 3.23Å; E143-E145 VanDerWaalsContact C-N 3.31Å; E143-E145 PolarHBondContact O-N 3.41Å; E145-P147 WeakPolarHBondContact O-CD 3.35Å; E145-P147 VanDerWaalsContact O-N 3.16Å
146V71.6Confident73Confident87 Ų87111.7 Ų111.753%0.52757%0.572SS.*SBendtrans-71.3108.3176179.10000108.5Q142 E143 Q148Q142-V146 WeakPolarHBondContact O-CG2 3.34Å; Q142-V146 PolarHBondContact O-N 3.22Å; E143-V146 PolarHBondContact O-N 3.46Å; V146-Q148 PolarHBondContact O-N 3.44Å
147P58.3Low70.7Confident76 Ų76118.1 Ų118.149%0.49461%0.607SS.*  trans-69.7114.4-174.4-1126.9000108.8E145 K149 L150E145-P147 WeakPolarHBondContact O-CD 3.35Å; E145-P147 VanDerWaalsContact O-N 3.16Å; P147-K149 HydrophobicContact CB-CB 4.38Å; P147-K149 PolarHBondContact O-N 3.33Å; P147-L150 PolarHBondContact O-N 3.08Å; P147-L150 VanDerWaalsContact O-N 3.09Å
148Q55.9Low69.4Low164 Ų164121.7 Ų121.777%0.76662%0.617SS**THydrogen-bonded Turntrans-51.2-24.5167.8-75.1-178-13.300111.9V146 L150 F151V146-Q148 PolarHBondContact O-N 3.44Å; Q148-L150 PolarHBondContact O-N 3.41Å; Q148-F151 PolarHBondContact O-N 2.61Å
149K49.9Very low68Low150 Ų150124.2 Ų124.265%0.65263%0.631SS**Hα-helixtrans-60.8-20.4177.7-67.5-172.7175.6-178.20115.5P147 F151 D153P147-K149 HydrophobicContact CB-CB 4.38Å; P147-K149 PolarHBondContact O-N 3.33Å; K149-F151 PolarHBondContact O-N 2.93Å; K149-D153 PolarHBondContact O-N 3.03Å
150L51.8Low66.6Low123 Ų123129.7 Ų129.764%0.64466%0.659SS**Hα-helixtrans-68.5-20.4179.1-13889.8000112.9P147 Q148P147-L150 PolarHBondContact O-N 3.08Å; P147-L150 VanDerWaalsContact O-N 3.09Å; Q148-L150 PolarHBondContact O-N 3.41Å
151F53.7Low64.9Low156 Ų156131.5 Ų131.568%0.68467%0.668SS**Hα-helixtrans-101.7-21.9179.5-64.8-74.8000113.7Q148 K149 S155Q148-F151 PolarHBondContact O-N 2.61Å; K149-F151 PolarHBondContact O-N 2.93Å; F151-S155 PolarHBondContact O-OG 3.41Å
152E52.9Low63.1Low121 Ų121133.7 Ų133.757%0.56568%0.679SS**Hα-helixtrans-73.3-32.1175.7-68.4-174.8151.800112.1Q154 S155E152-Q154 VanDerWaalsContact C-N 3.32Å; E152-Q154 PolarHBondContact O-N 3.44Å; E152-S155 PolarHBondContact O-OG 2.99Å
153D53.6Low61.2Low126 Ų126137 Ų13767%0.67470%0.698SS**THydrogen-bonded Turntrans-76.9-14.3179.4-76.1-23.7000114K149K149-D153 PolarHBondContact O-N 3.03Å
154Q52.3Low59.2Low157 Ų157136.3 Ų136.373%0.73470%0.699SS**THydrogen-bonded Turntrans-94.4-9.7177.3-69.9-167.5-900114.1E152E152-Q154 VanDerWaalsContact C-N 3.32Å; E152-Q154 PolarHBondContact O-N 3.44Å
155S53.8Low56.9Low96 Ų96136.1 Ų136.167%0.67170%0.695SS**SBendtrans-94.39.1-179.6380000113.9F151 E152F151-S155 PolarHBondContact O-OG 3.41Å; E152-S155 PolarHBondContact O-OG 2.99Å
156L54.4Low54.5Low143 Ų143135.2 Ų135.275%0.74970%0.696SS**  trans-109.616.9-179.1-83.4162.8000115.5
157N46.2Very low53Low223 Ų223139.5 Ų139.5100%1.19371%0.711SS**  trans-1260171.9-69.5-39.9000112.8

Retrieved 157 of 157 residues in 664.7 ms (Link to these results)

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