A0A096LTH9_POEFO Loading...

Vacuolar protein-sorting-associated protein 25

AlphaFold DB (A0A3P9P2F3), UniProt , Accession A0A096LTH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 174 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.3Low91.8Very high226 Ų22698.5 Ų98.5100%1.11348%0.475SS*.  0150.50-70.3177.5-18000108.3H41M1-H41 PolarHBondContact O-CE1 2.9Å; M1-H41 PolarHBondContact O-NE2 3.39Å
2S87.1Confident92.2Very high107 Ų10794.7 Ų94.775%0.74846%0.463SS*.PPolyproline II helixtrans-74.8148.3174.351.50000111.3
3F93.3Very high92.5Very high31 Ų3191.2 Ų91.214%0.13645%0.452CS..PPolyproline II helixtrans-65.9133.5172.9-176.1-102.1000111.8W5 L34 Y38 H41F3-W5 AromaticContact CD1-CD2 3.71Å; F3-W5 HydrophobicContact CD1-CD2 3.71Å; F3-W5 AromaticContact CD1-CE2 3.66Å; F3-W5 AromaticContact CD1-CE3 3.98Å; F3-W5 HydrophobicContact CD1-CE3 3.98Å; F3-W5 HydrophobicContact CD1-CG 4.19Å; F3-W5 HydrophobicContact CD1-CH2 4.15Å; F3-W5 AromaticContact CD1-CZ2 3.89Å; F3-W5 HydrophobicContact CD1-CZ2 3.89Å; F3-W5 HydrophobicContact CD1-CZ3 4.19Å; F3-W5 AromaticContact CE1-CD2 3.8Å; F3-W5 HydrophobicContact CE1-CD2 3.8Å; F3-W5 AromaticContact CE1-CE3 3.62Å; F3-W5 HydrophobicContact CE1-CE3 3.62Å; F3-W5 HydrophobicContact CE1-CG 4.4Å; F3-W5 HydrophobicContact CE1-CH2 4.2Å; F3-W5 HydrophobicContact CE1-CZ2 4.37Å; F3-W5 AromaticContact CE1-CZ3 3.84Å; F3-W5 HydrophobicContact CE1-CZ3 3.84Å; F3-L34 HydrophobicContact CE1-CD1 3.74Å; F3-L34 HydrophobicContact CZ-CD1 3.79Å; F3-Y38 HydrophobicContact CD1-CD2 4.1Å; F3-Y38 HydrophobicContact CD2-CD2 4.47Å; F3-Y38 HydrophobicContact CE1-CD2 4.11Å; F3-Y38 HydrophobicContact CE2-CD2 4.5Å; F3-Y38 HydrophobicContact CG-CD2 4.27Å; F3-Y38 HydrophobicContact CZ-CD2 4.31Å; F3-H41 HydrophobicContact CD2-CB 3.65Å; F3-H41 AromaticContact CD2-CG 3.74Å; F3-H41 HydrophobicContact CE2-CB 4.22Å; F3-H41 PolarHBondContact N-NE2 2.98Å
4E94Very high92.8Very high173 Ų17385.4 Ų85.481%0.80842%0.423SS*.PPolyproline II helixtrans-91.6120.8175.3-68.8-170.5172.300111.2
5W96.3Very high93.1Very high87 Ų8780.2 Ų80.233%0.3340%0.397SS..PPolyproline II helixtrans-85134.9-179.3-63.595.7000111.6F3 Y9 L34 Y38 P56 V57F3-W5 AromaticContact CD1-CD2 3.71Å; F3-W5 HydrophobicContact CD1-CD2 3.71Å; F3-W5 AromaticContact CD1-CE2 3.66Å; F3-W5 AromaticContact CD1-CE3 3.98Å; F3-W5 HydrophobicContact CD1-CE3 3.98Å; F3-W5 HydrophobicContact CD1-CG 4.19Å; F3-W5 HydrophobicContact CD1-CH2 4.15Å; F3-W5 AromaticContact CD1-CZ2 3.89Å; F3-W5 HydrophobicContact CD1-CZ2 3.89Å; F3-W5 HydrophobicContact CD1-CZ3 4.19Å; F3-W5 AromaticContact CE1-CD2 3.8Å; F3-W5 HydrophobicContact CE1-CD2 3.8Å; F3-W5 AromaticContact CE1-CE3 3.62Å; F3-W5 HydrophobicContact CE1-CE3 3.62Å; F3-W5 HydrophobicContact CE1-CG 4.4Å; F3-W5 HydrophobicContact CE1-CH2 4.2Å; F3-W5 HydrophobicContact CE1-CZ2 4.37Å; F3-W5 AromaticContact CE1-CZ3 3.84Å; F3-W5 HydrophobicContact CE1-CZ3 3.84Å; W5-Y9 HydrophobicContact CB-CD1 3.77Å; W5-Y9 HydrophobicContact CB-CE1 4.49Å; W5-Y9 HydrophobicContact CB-CG 4.26Å; W5-Y9 AromaticContact CD2-CD1 3.59Å; W5-Y9 HydrophobicContact CD2-CD1 3.59Å; W5-Y9 HydrophobicContact CD2-CD2 4.45Å; W5-Y9 AromaticContact CD2-CE1 3.56Å; W5-Y9 HydrophobicContact CD2-CE1 3.56Å; W5-Y9 HydrophobicContact CD2-CE2 4.44Å; W5-Y9 HydrophobicContact CD2-CG 4.05Å; W5-Y9 AromaticContact CE3-CD1 3.5Å; W5-Y9 HydrophobicContact CE3-CD1 3.5Å; W5-Y9 VanDerWaalsContact CE3-CD1 3.5Å; W5-Y9 AromaticContact CE3-CD2 3.54Å; W5-Y9 HydrophobicContact CE3-CD2 3.54Å; W5-Y9 AromaticContact CE3-CE1 3.58Å; W5-Y9 HydrophobicContact CE3-CE1 3.58Å; W5-Y9 AromaticContact CE3-CE2 3.64Å; W5-Y9 HydrophobicContact CE3-CE2 3.64Å; W5-Y9 AromaticContact CE3-CG 3.47Å; W5-Y9 HydrophobicContact CE3-CG 3.47Å; W5-Y9 VanDerWaalsContact CE3-CG 3.47Å; W5-Y9 AromaticContact CE3-CZ 3.67Å; W5-Y9 AromaticContact CG-CD1 3.72Å; W5-Y9 HydrophobicContact CG-CD1 3.72Å; W5-Y9 AromaticContact CG-CE1 3.96Å; W5-Y9 HydrophobicContact CG-CE1 3.96Å; W5-Y9 HydrophobicContact CG-CG 4.4Å; W5-Y9 HydrophobicContact CH2-CE2 4.19Å; W5-Y9 HydrophobicContact CZ3-CD1 4.33Å; W5-Y9 AromaticContact CZ3-CD2 3.76Å; W5-Y9 HydrophobicContact CZ3-CD2 3.76Å; W5-Y9 HydrophobicContact CZ3-CE1 4.08Å; W5-Y9 AromaticContact CZ3-CE2 3.49Å; W5-Y9 HydrophobicContact CZ3-CE2 3.49Å; W5-Y9 VanDerWaalsContact CZ3-CE2 3.49Å; W5-Y9 HydrophobicContact CZ3-CG 4.18Å; W5-Y9 AromaticContact CZ3-CZ 3.67Å; W5-L34 HydrophobicContact CE3-CD1 3.84Å; W5-L34 HydrophobicContact CZ3-CD1 3.85Å; W5-Y38 AromaticContact CH2-CD2 3.8Å; W5-Y38 HydrophobicContact CH2-CD2 3.8Å; W5-Y38 AromaticContact CH2-CE2 3.76Å; W5-Y38 HydrophobicContact CH2-CE2 3.76Å; W5-Y38 HydrophobicContact CZ2-CD2 4.39Å; W5-Y38 HydrophobicContact CZ2-CE2 4.14Å; W5-Y38 HydrophobicContact CZ3-CD2 4.39Å; W5-P56 HydrophobicContact CH2-CB 4.05Å; W5-P56 HydrophobicContact CZ2-CB 4.09Å; W5-V57 HydrophobicContact CH2-CB 4.45Å; W5-V57 HydrophobicContact CZ3-CB 4.5Å; W5-V57 HydrophobicContact CZ3-CG2 4.37Å
6P96.6Very high93.3Very high46 Ų4680.5 Ų80.530%0.29941%0.405SS..PPolyproline II helixtrans-68.5155.1174.931.8-35.8000110.6Q8 Y9 L34P6-Q8 PolarHBondContact O-N 2.95Å; P6-Q8 VanDerWaalsContact O-N 3.14Å; P6-Y9 VanDerWaalsContact O-CB 3.22Å; P6-Y9 WeakPolarHBondContact O-CB 3.47Å; P6-Y9 PolarHBondContact O-N 3.45Å; P6-L34 HydrophobicContact CG-CB 4.42Å; P6-L34 HydrophobicContact CG-CD1 3.97Å; P6-L34 HydrophobicContact CG-CD2 4.39Å; P6-L34 HydrophobicContact CG-CG 4.49Å
7W95.6Very high93.4Very high179 Ų17979.7 Ų79.768%0.67840%0.402SS*.G310 helixtrans-58.4-33.7-176.872.1-95.6000112.8Y9 N10 F11W7-Y9 PolarHBondContact O-N 3.42Å; W7-N10 PolarHBondContact O-N 2.68Å; W7-F11 HydrophobicContact CE3-CB 4.45Å; W7-F11 HydrophobicContact CZ3-CB 4.2Å; W7-F11 HydrophobicContact CZ3-CD1 4.31Å; W7-F11 HydrophobicContact CZ3-CG 4.23Å
8Q96.6Very high93.5Very high47 Ų4777.8 Ų77.822%0.2239%0.391CS..G310 helixtrans-58.2-31.4177.2-63.887.6-20.300112P6 N10 F11 F14 A30P6-Q8 PolarHBondContact O-N 2.95Å; P6-Q8 VanDerWaalsContact O-N 3.14Å; Q8-N10 PolarHBondContact O-N 3.47Å; Q8-F11 WeakPolarHBondContact O-CB 3.49Å; Q8-F11 PolarHBondContact O-N 2.91Å; Q8-F14 HydrophobicContact CB-CD1 4.01Å; Q8-F14 HydrophobicContact CB-CD2 3.85Å; Q8-F14 HydrophobicContact CB-CE1 4.13Å; Q8-F14 HydrophobicContact CB-CE2 4.01Å; Q8-F14 HydrophobicContact CB-CG 3.86Å; Q8-F14 HydrophobicContact CB-CZ 4.14Å; Q8-F14 HydrophobicContact CG-CD2 4.49Å; Q8-F14 WeakPolarHBondContact O-CB 3.37Å; Q8-F14 VanDerWaalsContact O-CD1 3.26Å; Q8-F14 WeakPolarHBondContact O-CD1 3.16Å; Q8-F14 WeakPolarHBondContact O-CG 3.29Å; Q8-A30 HydrophobicContact CG-CB 4.46Å
9Y97.3Very high93.6Very high14 Ų1479.8 Ų79.86%0.05541%0.41CS..G310 helixtrans-63.8-23.3178.7-178.2-103.4000112.8W5 P6 W7 F15 L34 P56 N60W5-Y9 HydrophobicContact CB-CD1 3.77Å; W5-Y9 HydrophobicContact CB-CE1 4.49Å; W5-Y9 HydrophobicContact CB-CG 4.26Å; W5-Y9 AromaticContact CD2-CD1 3.59Å; W5-Y9 HydrophobicContact CD2-CD1 3.59Å; W5-Y9 HydrophobicContact CD2-CD2 4.45Å; W5-Y9 AromaticContact CD2-CE1 3.56Å; W5-Y9 HydrophobicContact CD2-CE1 3.56Å; W5-Y9 HydrophobicContact CD2-CE2 4.44Å; W5-Y9 HydrophobicContact CD2-CG 4.05Å; W5-Y9 AromaticContact CE3-CD1 3.5Å; W5-Y9 HydrophobicContact CE3-CD1 3.5Å; W5-Y9 VanDerWaalsContact CE3-CD1 3.5Å; W5-Y9 AromaticContact CE3-CD2 3.54Å; W5-Y9 HydrophobicContact CE3-CD2 3.54Å; W5-Y9 AromaticContact CE3-CE1 3.58Å; W5-Y9 HydrophobicContact CE3-CE1 3.58Å; W5-Y9 AromaticContact CE3-CE2 3.64Å; W5-Y9 HydrophobicContact CE3-CE2 3.64Å; W5-Y9 AromaticContact CE3-CG 3.47Å; W5-Y9 HydrophobicContact CE3-CG 3.47Å; W5-Y9 VanDerWaalsContact CE3-CG 3.47Å; W5-Y9 AromaticContact CE3-CZ 3.67Å; W5-Y9 AromaticContact CG-CD1 3.72Å; W5-Y9 HydrophobicContact CG-CD1 3.72Å; W5-Y9 AromaticContact CG-CE1 3.96Å; W5-Y9 HydrophobicContact CG-CE1 3.96Å; W5-Y9 HydrophobicContact CG-CG 4.4Å; W5-Y9 HydrophobicContact CH2-CE2 4.19Å; W5-Y9 HydrophobicContact CZ3-CD1 4.33Å; W5-Y9 AromaticContact CZ3-CD2 3.76Å; W5-Y9 HydrophobicContact CZ3-CD2 3.76Å; W5-Y9 HydrophobicContact CZ3-CE1 4.08Å; W5-Y9 AromaticContact CZ3-CE2 3.49Å; W5-Y9 HydrophobicContact CZ3-CE2 3.49Å; W5-Y9 VanDerWaalsContact CZ3-CE2 3.49Å; W5-Y9 HydrophobicContact CZ3-CG 4.18Å; W5-Y9 AromaticContact CZ3-CZ 3.67Å; P6-Y9 VanDerWaalsContact O-CB 3.22Å; P6-Y9 WeakPolarHBondContact O-CB 3.47Å; P6-Y9 PolarHBondContact O-N 3.45Å; W7-Y9 PolarHBondContact O-N 3.42Å; Y9-F15 AromaticContact CD2-CZ 3.73Å; Y9-F15 HydrophobicContact CD2-CZ 3.73Å; Y9-F15 HydrophobicContact CE2-CE1 4.35Å; Y9-F15 AromaticContact CE2-CZ 3.75Å; Y9-F15 HydrophobicContact CE2-CZ 3.75Å; Y9-F15 VanDerWaalsContact O-CE2 3.25Å; Y9-F15 WeakPolarHBondContact O-CE2 3.2Å; Y9-L34 HydrophobicContact CD2-CD2 3.98Å; Y9-P56 WeakPolarHBondContact CE2-O 3.37Å; Y9-P56 PolarHBondContact OH-O 3.36Å; Y9-N60 WeakPolarHBondContact CD1-ND2 3.48Å; Y9-N60 HydrophobicContact CE1-CB 4.02Å; Y9-N60 WeakPolarHBondContact CE1-ND2 3.35Å; Y9-N60 HydrophobicContact CE2-CB 3.93Å; Y9-N60 PolarHBondContact O-ND2 3.44Å; Y9-N60 WeakPolarHBondContact OH-CA 3.38Å; Y9-N60 WeakPolarHBondContact OH-CB 3.38Å
10N96.9Very high93.8Very high73 Ų7379.9 Ų79.939%0.3941%0.412SS..G310 helixtrans-97.66.1174.1-65.8-65.4000113.1W7 Q8 P12W7-N10 PolarHBondContact O-N 2.68Å; Q8-N10 PolarHBondContact O-N 3.47Å; N10-P12 WeakPolarHBondContact O-CD 3.5Å
11F96.4Very high93.8Very high101 Ų10179.6 Ų79.644%0.44341%0.413SS..  trans-99.7109.9179.7-177-127.8000110.2W7 Q8 P13 F14W7-F11 HydrophobicContact CE3-CB 4.45Å; W7-F11 HydrophobicContact CZ3-CB 4.2Å; W7-F11 HydrophobicContact CZ3-CD1 4.31Å; W7-F11 HydrophobicContact CZ3-CG 4.23Å; Q8-F11 WeakPolarHBondContact O-CB 3.49Å; Q8-F11 PolarHBondContact O-N 2.91Å; F11-P13 VanDerWaalsContact C-CD 3.46Å; F11-P13 HydrophobicContact CD1-CB 4.15Å; F11-P13 HydrophobicContact CD1-CG 4.24Å; F11-P13 HydrophobicContact CD2-CG 4.37Å; F11-P13 HydrophobicContact CE1-CB 3.66Å; F11-P13 HydrophobicContact CE1-CG 3.7Å; F11-P13 HydrophobicContact CE2-CG 3.83Å; F11-P13 HydrophobicContact CZ-CB 3.96Å; F11-P13 HydrophobicContact CZ-CG 3.47Å; F11-P13 VanDerWaalsContact CZ-CG 3.47Å; F11-P13 VanDerWaalsContact O-N 3.16Å; F11-F14 WeakPolarHBondContact O-CB 3.4Å; F11-F14 PolarHBondContact O-N 3.11Å
12P95.9Very high95.5Very high52 Ų5273.8 Ų73.834%0.33839%0.386SS..G310 helixtrans-53.2-39.3-172-26.433000116N10 F14 F15 I63 R65N10-P12 WeakPolarHBondContact O-CD 3.5Å; P12-F14 PolarHBondContact O-N 3.49Å; P12-F14 VanDerWaalsContact O-N 3.15Å; P12-F15 PolarHBondContact O-N 2.93Å; P12-I63 HydrophobicContact CG-CD1 4.28Å; P12-R65 HydrophobicContact CB-CG 4.09Å
13P95.8Very high96Very high49 Ų4971.8 Ų71.832%0.31837%0.37SS..G310 helixtrans-61.8-19.4176-26.337.7000114.6F11 F15 T16 Q18F11-P13 VanDerWaalsContact C-CD 3.46Å; F11-P13 HydrophobicContact CD1-CB 4.15Å; F11-P13 HydrophobicContact CD1-CG 4.24Å; F11-P13 HydrophobicContact CD2-CG 4.37Å; F11-P13 HydrophobicContact CE1-CB 3.66Å; F11-P13 HydrophobicContact CE1-CG 3.7Å; F11-P13 HydrophobicContact CE2-CG 3.83Å; F11-P13 HydrophobicContact CZ-CB 3.96Å; F11-P13 HydrophobicContact CZ-CG 3.47Å; F11-P13 VanDerWaalsContact CZ-CG 3.47Å; F11-P13 VanDerWaalsContact O-N 3.16Å; P13-F15 PolarHBondContact O-N 3.19Å; P13-T16 PolarHBondContact O-N 3.38Å; P13-T16 VanDerWaalsContact O-N 3.12Å; P13-T16 VanDerWaalsContact O-O 3.06Å; P13-Q18 PolarHBondContact O-NE2 3.01Å
14F97.4Very high96.1Very high10 Ų1074.5 Ų74.54%0.04438%0.379CS..G310 helixtrans-62-26.7177.5-172.7-123.2000113Q8 F11 P12 T16 Q27 A30 W31 L34Q8-F14 HydrophobicContact CB-CD1 4.01Å; Q8-F14 HydrophobicContact CB-CD2 3.85Å; Q8-F14 HydrophobicContact CB-CE1 4.13Å; Q8-F14 HydrophobicContact CB-CE2 4.01Å; Q8-F14 HydrophobicContact CB-CG 3.86Å; Q8-F14 HydrophobicContact CB-CZ 4.14Å; Q8-F14 HydrophobicContact CG-CD2 4.49Å; Q8-F14 WeakPolarHBondContact O-CB 3.37Å; Q8-F14 VanDerWaalsContact O-CD1 3.26Å; Q8-F14 WeakPolarHBondContact O-CD1 3.16Å; Q8-F14 WeakPolarHBondContact O-CG 3.29Å; F11-F14 WeakPolarHBondContact O-CB 3.4Å; F11-F14 PolarHBondContact O-N 3.11Å; P12-F14 PolarHBondContact O-N 3.49Å; P12-F14 VanDerWaalsContact O-N 3.15Å; F14-T16 VanDerWaalsContact C-N 3.32Å; F14-Q27 HydrophobicContact CD2-CG 3.95Å; F14-Q27 HydrophobicContact CE2-CG 4.03Å; F14-Q27 PolarHBondContact O-NE2 2.88Å; F14-A30 HydrophobicContact CE2-CB 3.76Å; F14-A30 HydrophobicContact CZ-CB 4.02Å; F14-W31 AromaticContact CD1-CE2 3.78Å; F14-W31 HydrophobicContact CD1-CH2 4.16Å; F14-W31 AromaticContact CD1-CZ2 3.57Å; F14-W31 HydrophobicContact CD1-CZ2 3.57Å; F14-W31 AromaticContact CD2-NE1 3.88Å; F14-W31 AromaticContact CE1-CD2 3.65Å; F14-W31 HydrophobicContact CE1-CD2 3.65Å; F14-W31 AromaticContact CE1-CE2 3.35Å; F14-W31 HydrophobicContact CE1-CE3 4.01Å; F14-W31 HydrophobicContact CE1-CG 4.26Å; F14-W31 AromaticContact CE1-CH2 3.81Å; F14-W31 HydrophobicContact CE1-CH2 3.81Å; F14-W31 AromaticContact CE1-CZ2 3.44Å; F14-W31 HydrophobicContact CE1-CZ2 3.44Å; F14-W31 VanDerWaalsContact CE1-CZ2 3.44Å; F14-W31 HydrophobicContact CE1-CZ3 4.08Å; F14-W31 AromaticContact CE1-NE1 3.81Å; F14-W31 AromaticContact CE2-CD1 3.61Å; F14-W31 HydrophobicContact CE2-CD2 4.23Å; F14-W31 AromaticContact CE2-CE2 3.97Å; F14-W31 HydrophobicContact CE2-CG 4Å; F14-W31 AromaticContact CE2-NE1 3.55Å; F14-W31 HydrophobicContact CG-CZ2 4.3Å; F14-W31 HydrophobicContact CZ-CB 4.35Å; F14-W31 AromaticContact CZ-CD1 3.64Å; F14-W31 AromaticContact CZ-CD2 3.47Å; F14-W31 HydrophobicContact CZ-CD2 3.47Å; F14-W31 VanDerWaalsContact CZ-CD2 3.47Å; F14-W31 AromaticContact CZ-CE2 3.45Å; F14-W31 VanDerWaalsContact CZ-CE2 3.45Å; F14-W31 HydrophobicContact CZ-CE3 4.11Å; F14-W31 AromaticContact CZ-CG 3.58Å; F14-W31 HydrophobicContact CZ-CG 3.58Å; F14-W31 HydrophobicContact CZ-CZ2 4.05Å; F14-W31 AromaticContact CZ-NE1 3.53Å; F14-W31 PolarHBondContact O-NE1 3.45Å; F14-L34 HydrophobicContact CE1-CD2 4.13Å
15F97.5Very high96.2Very high8 Ų872.1 Ų72.14%0.03537%0.368CS..G310 helixtrans-88.58.1178.4-66.4-97.8000113.8Y9 P12 P13 W31 N60 I63 R65 L67Y9-F15 AromaticContact CD2-CZ 3.73Å; Y9-F15 HydrophobicContact CD2-CZ 3.73Å; Y9-F15 HydrophobicContact CE2-CE1 4.35Å; Y9-F15 AromaticContact CE2-CZ 3.75Å; Y9-F15 HydrophobicContact CE2-CZ 3.75Å; Y9-F15 VanDerWaalsContact O-CE2 3.25Å; Y9-F15 WeakPolarHBondContact O-CE2 3.2Å; P12-F15 PolarHBondContact O-N 2.93Å; P13-F15 PolarHBondContact O-N 3.19Å; F15-W31 HydrophobicContact CD1-CH2 4.06Å; F15-W31 HydrophobicContact CD1-CZ2 4.05Å; F15-W31 AromaticContact CE1-CH2 3.75Å; F15-W31 HydrophobicContact CE1-CH2 3.75Å; F15-W31 HydrophobicContact CE1-CZ2 4.14Å; F15-W31 HydrophobicContact CG-CZ2 4.39Å; F15-W31 HydrophobicContact CZ-CH2 4.18Å; F15-N60 HydrophobicContact CE1-CB 3.98Å; F15-N60 HydrophobicContact CE2-CB 4.13Å; F15-N60 HydrophobicContact CZ-CB 3.48Å; F15-N60 VanDerWaalsContact CZ-CB 3.48Å; F15-I63 HydrophobicContact CD2-CD1 4.04Å; F15-I63 HydrophobicContact CE2-CD1 3.75Å; F15-R65 HydrophobicContact CB-CB 3.76Å; F15-R65 HydrophobicContact CB-CG 4.48Å; F15-R65 HydrophobicContact CD1-CB 4.12Å; F15-R65 HydrophobicContact CD2-CB 3.71Å; F15-R65 HydrophobicContact CD2-CG 4.47Å; F15-R65 HydrophobicContact CE2-CB 4.37Å; F15-R65 HydrophobicContact CG-CB 3.58Å; F15-L67 HydrophobicContact CD1-CB 4.44Å; F15-L67 WeakPolarHBondContact O-CD1 3.49Å
16T95.7Very high96.3Very high85 Ų8575.7 Ų75.752%0.52139%0.386SS..SBendtrans-126.2126.1176.6-54.60000109.1P13 F14 Q18 Q27P13-T16 PolarHBondContact O-N 3.38Å; P13-T16 VanDerWaalsContact O-N 3.12Å; P13-T16 VanDerWaalsContact O-O 3.06Å; F14-T16 VanDerWaalsContact C-N 3.32Å; T16-Q18 PolarHBondContact O-N 3.13Å; T16-Q18 VanDerWaalsContact O-N 3.15Å; T16-Q18 PolarHBondContact O-NE2 2.97Å; T16-Q27 PolarHBondContact O-NE2 3.32Å
17L95Very high96.3Very high67 Ų6774 Ų7435%0.35137%0.374SS..  trans-59.2121.1-178.4-17066.8000110.2R24 L28L17-R24 HydrophobicContact CD1-CG 3.82Å; L17-R24 HydrophobicContact CG-CG 4.4Å; L17-L28 HydrophobicContact CD1-CD2 4.36Å
18Q96Very high96.4Very high45 Ų4566.1 Ų66.121%0.2135%0.345CS..  trans-73.7135.9-173-63.7-62.9-56.100110.8P13 T16 T23 R24P13-Q18 PolarHBondContact O-NE2 3.01Å; T16-Q18 PolarHBondContact O-N 3.13Å; T16-Q18 VanDerWaalsContact O-N 3.15Å; T16-Q18 PolarHBondContact O-NE2 2.97Å; Q18-T23 HydrophobicContact CB-CG2 3.95Å; Q18-T23 HydrophobicContact CG-CG2 3.78Å; Q18-R24 HydrophobicContact CB-CB 4.28Å; Q18-R24 WeakPolarHBondContact O-CB 3.14Å; Q18-R24 WeakPolarHBondContact O-CD 3.19Å
19P94.9Very high96.4Very high117 Ų11766.1 Ų66.176%0.7635%0.353SS*.SBendtrans-74.1-33.6-177.828.1-34.2000112.2
20N96.7Very high96.5Very high81 Ų8166.5 Ų66.543%0.43336%0.359SS..SBendtrans-71.9130.7175.9177.4-77.2000110.3D22 T23 R24N20-D22 PolarHBondContact O-N 3.27Å; N20-D22 WeakPolarHBondContact OD1-CB 3.37Å; N20-D22 PolarHBondContact OD1-N 2.92Å; N20-T23 PolarHBondContact O-N 3.21Å; N20-T23 PolarHBondContact OD1-N 3.28Å; N20-T23 PolarHBondContact OD1-OG1 3.35Å; N20-R24 VanDerWaalsContact O-CB 3.23Å; N20-R24 WeakPolarHBondContact O-CB 3.39Å; N20-R24 PolarHBondContact O-N 2.9Å
21V95Very high96.5Very high74 Ų7463.1 Ų63.145%0.44834%0.341SS..Hα-helixtrans-63.3-44.5-173.5178.90000112.3R24 Q25V21-R24 PolarHBondContact O-N 3.48Å; V21-Q25 WeakPolarHBondContact O-CG 3.19Å; V21-Q25 PolarHBondContact O-N 3.17Å
22D96.3Very high96.5Very high103 Ų10358.5 Ų58.555%0.55132%0.321SS*.Hα-helixtrans-66.7-43.5-178.6-58.5-41.8000111.1N20 R24 Q25 K26N20-D22 PolarHBondContact O-N 3.27Å; N20-D22 WeakPolarHBondContact OD1-CB 3.37Å; N20-D22 PolarHBondContact OD1-N 2.92Å; D22-R24 VanDerWaalsContact C-N 3.34Å; D22-Q25 PolarHBondContact O-N 3.27Å; D22-K26 PolarHBondContact O-N 3.38Å; D22-K26 VanDerWaalsContact O-N 3.17Å
23T96.1Very high96.6Very high65 Ų6559.4 Ų59.440%0.39933%0.329SS..Hα-helixtrans-63.9-41.5175.1-520000110.8Q18 N20 Q25 K26 Q27Q18-T23 HydrophobicContact CB-CG2 3.95Å; Q18-T23 HydrophobicContact CG-CG2 3.78Å; N20-T23 PolarHBondContact O-N 3.21Å; N20-T23 PolarHBondContact OD1-N 3.28Å; N20-T23 PolarHBondContact OD1-OG1 3.35Å; T23-Q25 PolarHBondContact O-N 3.39Å; T23-K26 PolarHBondContact O-N 3.5Å; T23-Q27 WeakPolarHBondContact O-CB 3.23Å; T23-Q27 PolarHBondContact O-N 3.39Å
24R96.3Very high96.7Very high89 Ų8957.2 Ų57.234%0.33631%0.314SS..Hα-helixtrans-63.1-41.3177.2-173175.162-172.5-0.8111.9L17 Q18 N20 V21 D22 K26 Q27 L28L17-R24 HydrophobicContact CD1-CG 3.82Å; L17-R24 HydrophobicContact CG-CG 4.4Å; Q18-R24 HydrophobicContact CB-CB 4.28Å; Q18-R24 WeakPolarHBondContact O-CB 3.14Å; Q18-R24 WeakPolarHBondContact O-CD 3.19Å; N20-R24 VanDerWaalsContact O-CB 3.23Å; N20-R24 WeakPolarHBondContact O-CB 3.39Å; N20-R24 PolarHBondContact O-N 2.9Å; V21-R24 PolarHBondContact O-N 3.48Å; D22-R24 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 2.72Å; R24-Q27 WeakPolarHBondContact O-CB 3.41Å; R24-Q27 PolarHBondContact O-N 2.98Å; R24-L28 HydrophobicContact CG-CD1 3.87Å; R24-L28 HydrophobicContact CG-CG 4.24Å; R24-L28 WeakPolarHBondContact O-CB 3.48Å; R24-L28 VanDerWaalsContact O-CG 3.24Å; R24-L28 WeakPolarHBondContact O-CG 3.31Å; R24-L28 PolarHBondContact O-N 3.33Å
25Q96.4Very high96.6Very high123 Ų12357 Ų5758%0.57531%0.313SS*.Hα-helixtrans-60.8-45.4175.7-75.8179.8-0.500111.8V21 D22 T23 Q27 L28 A29V21-Q25 WeakPolarHBondContact O-CG 3.19Å; V21-Q25 PolarHBondContact O-N 3.17Å; D22-Q25 PolarHBondContact O-N 3.27Å; T23-Q25 PolarHBondContact O-N 3.39Å; Q25-Q27 VanDerWaalsContact C-N 3.35Å; Q25-Q27 PolarHBondContact O-N 3.26Å; Q25-L28 PolarHBondContact O-N 3.21Å; Q25-A29 WeakPolarHBondContact O-CB 3.32Å; Q25-A29 PolarHBondContact O-N 3.22Å
26K97.1Very high96.6Very high161 Ų16158 Ų5870%0.732%0.319SS*.Hα-helixtrans-62.5-42.4175.4-68.9175.5-177.4174.40111.9D22 T23 R24 A29 A30D22-K26 PolarHBondContact O-N 3.38Å; D22-K26 VanDerWaalsContact O-N 3.17Å; T23-K26 PolarHBondContact O-N 3.5Å; R24-K26 PolarHBondContact O-N 2.72Å; K26-A29 PolarHBondContact O-N 3.21Å; K26-A30 PolarHBondContact O-N 3.32Å
27Q97.8Very high96.6Very high11 Ų1156.7 Ų56.75%0.05131%0.313CS..Hα-helixtrans-59.7-49.6175.7-177.6-170.525.200111.3F14 T16 T23 R24 Q25 A29 A30 W31F14-Q27 HydrophobicContact CD2-CG 3.95Å; F14-Q27 HydrophobicContact CE2-CG 4.03Å; F14-Q27 PolarHBondContact O-NE2 2.88Å; T16-Q27 PolarHBondContact O-NE2 3.32Å; T23-Q27 WeakPolarHBondContact O-CB 3.23Å; T23-Q27 PolarHBondContact O-N 3.39Å; R24-Q27 WeakPolarHBondContact O-CB 3.41Å; R24-Q27 PolarHBondContact O-N 2.98Å; Q25-Q27 VanDerWaalsContact C-N 3.35Å; Q25-Q27 PolarHBondContact O-N 3.26Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 2.85Å; Q27-A30 PolarHBondContact O-N 2.94Å; Q27-W31 PolarHBondContact O-N 3.41Å
28L97.4Very high96.6Very high13 Ų1354.7 Ų54.77%0.06830%0.301CS..Hα-helixtrans-66.1-36.5-179.6-68.2171.5000111.8L17 R24 Q25 W31 C32 V74 V75 E78L17-L28 HydrophobicContact CD1-CD2 4.36Å; R24-L28 HydrophobicContact CG-CD1 3.87Å; R24-L28 HydrophobicContact CG-CG 4.24Å; R24-L28 WeakPolarHBondContact O-CB 3.48Å; R24-L28 VanDerWaalsContact O-CG 3.24Å; R24-L28 WeakPolarHBondContact O-CG 3.31Å; R24-L28 PolarHBondContact O-N 3.33Å; Q25-L28 PolarHBondContact O-N 3.21Å; L28-W31 PolarHBondContact O-N 3.24Å; L28-C32 WeakPolarHBondContact O-CB 3.37Å; L28-C32 PolarHBondContact O-N 2.83Å; L28-C32 PolarHBondContact O-SG 2.79Å; L28-V74 HydrophobicContact CD1-CG1 4.1Å; L28-V74 HydrophobicContact CD2-CG1 3.84Å; L28-V75 HydrophobicContact CD2-CG2 3.83Å; L28-E78 HydrophobicContact CB-CG 4.36Å; L28-E78 HydrophobicContact CD1-CG 3.92Å; L28-E78 HydrophobicContact CG-CG 4.49Å
29A97.1Very high96.5Very high47 Ų4752.8 Ų52.839%0.38829%0.293SS..Hα-helixtrans-61.3-45172.700000111.8Q25 K26 Q27 C32 S33Q25-A29 WeakPolarHBondContact O-CB 3.32Å; Q25-A29 PolarHBondContact O-N 3.22Å; K26-A29 PolarHBondContact O-N 3.21Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 2.85Å; A29-C32 PolarHBondContact O-N 2.76Å; A29-S33 PolarHBondContact O-N 2.87Å
30A97.8Very high96.4Very high22 Ų2253.3 Ų53.318%0.18228%0.28CS..Hα-helixtrans-64.8-41.117600000112.2Q8 F14 K26 Q27 S33 L34Q8-A30 HydrophobicContact CG-CB 4.46Å; F14-A30 HydrophobicContact CE2-CB 3.76Å; F14-A30 HydrophobicContact CZ-CB 4.02Å; K26-A30 PolarHBondContact O-N 3.32Å; Q27-A30 PolarHBondContact O-N 2.94Å; A30-S33 PolarHBondContact O-N 3.28Å; A30-L34 WeakPolarHBondContact O-CB 3.48Å; A30-L34 PolarHBondContact O-N 3.47Å
31W98Very high96.2Very high3 Ų353.2 Ų53.21%0.01128%0.277CS..Hα-helixtrans-61.7-46.6173.7-87.6119.6000112.6F14 F15 Q27 L28 S33 L34 V35 V57 F58 L67 V75F14-W31 AromaticContact CD1-CE2 3.78Å; F14-W31 HydrophobicContact CD1-CH2 4.16Å; F14-W31 AromaticContact CD1-CZ2 3.57Å; F14-W31 HydrophobicContact CD1-CZ2 3.57Å; F14-W31 AromaticContact CD2-NE1 3.88Å; F14-W31 AromaticContact CE1-CD2 3.65Å; F14-W31 HydrophobicContact CE1-CD2 3.65Å; F14-W31 AromaticContact CE1-CE2 3.35Å; F14-W31 HydrophobicContact CE1-CE3 4.01Å; F14-W31 HydrophobicContact CE1-CG 4.26Å; F14-W31 AromaticContact CE1-CH2 3.81Å; F14-W31 HydrophobicContact CE1-CH2 3.81Å; F14-W31 AromaticContact CE1-CZ2 3.44Å; F14-W31 HydrophobicContact CE1-CZ2 3.44Å; F14-W31 VanDerWaalsContact CE1-CZ2 3.44Å; F14-W31 HydrophobicContact CE1-CZ3 4.08Å; F14-W31 AromaticContact CE1-NE1 3.81Å; F14-W31 AromaticContact CE2-CD1 3.61Å; F14-W31 HydrophobicContact CE2-CD2 4.23Å; F14-W31 AromaticContact CE2-CE2 3.97Å; F14-W31 HydrophobicContact CE2-CG 4Å; F14-W31 AromaticContact CE2-NE1 3.55Å; F14-W31 HydrophobicContact CG-CZ2 4.3Å; F14-W31 HydrophobicContact CZ-CB 4.35Å; F14-W31 AromaticContact CZ-CD1 3.64Å; F14-W31 AromaticContact CZ-CD2 3.47Å; F14-W31 HydrophobicContact CZ-CD2 3.47Å; F14-W31 VanDerWaalsContact CZ-CD2 3.47Å; F14-W31 AromaticContact CZ-CE2 3.45Å; F14-W31 VanDerWaalsContact CZ-CE2 3.45Å; F14-W31 HydrophobicContact CZ-CE3 4.11Å; F14-W31 AromaticContact CZ-CG 3.58Å; F14-W31 HydrophobicContact CZ-CG 3.58Å; F14-W31 HydrophobicContact CZ-CZ2 4.05Å; F14-W31 AromaticContact CZ-NE1 3.53Å; F14-W31 PolarHBondContact O-NE1 3.45Å; F15-W31 HydrophobicContact CD1-CH2 4.06Å; F15-W31 HydrophobicContact CD1-CZ2 4.05Å; F15-W31 AromaticContact CE1-CH2 3.75Å; F15-W31 HydrophobicContact CE1-CH2 3.75Å; F15-W31 HydrophobicContact CE1-CZ2 4.14Å; F15-W31 HydrophobicContact CG-CZ2 4.39Å; F15-W31 HydrophobicContact CZ-CH2 4.18Å; Q27-W31 PolarHBondContact O-N 3.41Å; L28-W31 PolarHBondContact O-N 3.24Å; W31-S33 VanDerWaalsContact C-N 3.3Å; W31-S33 PolarHBondContact O-N 2.9Å; W31-L34 HydrophobicContact CE3-CD2 3.92Å; W31-L34 HydrophobicContact CH2-CD2 4.42Å; W31-L34 HydrophobicContact CZ3-CD2 3.65Å; W31-L34 PolarHBondContact O-N 2.96Å; W31-V35 VanDerWaalsContact O-CG2 3.31Å; W31-V35 WeakPolarHBondContact O-CG2 3.27Å; W31-V35 PolarHBondContact O-N 3.01Å; W31-V57 VanDerWaalsContact CZ3-O 3.25Å; W31-V57 WeakPolarHBondContact CZ3-O 3.4Å; W31-F58 HydrophobicContact CE3-CD1 4.09Å; W31-F58 AromaticContact CE3-CE1 3.86Å; W31-F58 HydrophobicContact CE3-CE1 3.86Å; W31-F58 HydrophobicContact CH2-CD1 4.09Å; W31-F58 AromaticContact CZ3-CD1 3.59Å; W31-F58 HydrophobicContact CZ3-CD1 3.59Å; W31-F58 AromaticContact CZ3-CE1 3.82Å; W31-F58 HydrophobicContact CZ3-CE1 3.82Å; W31-L67 HydrophobicContact CD2-CD2 4.26Å; W31-L67 HydrophobicContact CH2-CD2 4.31Å; W31-L67 HydrophobicContact CZ2-CD1 4.01Å; W31-L67 HydrophobicContact CZ2-CD2 3.98Å; W31-L67 HydrophobicContact CZ2-CG 4.41Å; W31-V75 HydrophobicContact CB-CB 4.47Å; W31-V75 HydrophobicContact CB-CG1 3.85Å; W31-V75 HydrophobicContact CB-CG2 3.69Å; W31-V75 HydrophobicContact CG-CG2 3.85Å
32C97.1Very high96Very high3 Ų353.8 Ų53.82%0.0227%0.274CS..Hα-helixtrans-55.8-47.7176-69.80000111L28 A29 V35 L36 L79L28-C32 WeakPolarHBondContact O-CB 3.37Å; L28-C32 PolarHBondContact O-N 2.83Å; L28-C32 PolarHBondContact O-SG 2.79Å; A29-C32 PolarHBondContact O-N 2.76Å; C32-V35 PolarHBondContact O-N 2.83Å; C32-L36 VanDerWaalsContact O-CG 3.25Å; C32-L36 WeakPolarHBondContact O-CG 3.38Å; C32-L36 PolarHBondContact O-N 2.82Å; C32-L79 HydrophobicContact CB-CD2 3.68Å; C32-L79 HydrophobicContact CB-CG 4.35Å
33S96.9Very high95.6Very high71 Ų7154.9 Ų54.950%0.49727%0.274SS..Hα-helixtrans-61.4-46.6178.6-170.50000111.6A29 A30 W31 L36 S37A29-S33 PolarHBondContact O-N 2.87Å; A30-S33 PolarHBondContact O-N 3.28Å; W31-S33 VanDerWaalsContact C-N 3.3Å; W31-S33 PolarHBondContact O-N 2.9Å; S33-L36 PolarHBondContact O-N 3.21Å; S33-S37 WeakPolarHBondContact O-CB 3.35Å; S33-S37 PolarHBondContact O-N 3.4Å; S33-S37 PolarHBondContact O-OG 3.39Å; S33-S37 VanDerWaalsContact O-OG 3.05Å
34L97.6Very high95.4Very high4 Ų455.1 Ų55.12%0.02127%0.272CS..Hα-helixtrans-60.8-47.1-18017159.7000111.7F3 W5 P6 Y9 F14 A30 W31 S37 Y38 V57F3-L34 HydrophobicContact CE1-CD1 3.74Å; F3-L34 HydrophobicContact CZ-CD1 3.79Å; W5-L34 HydrophobicContact CE3-CD1 3.84Å; W5-L34 HydrophobicContact CZ3-CD1 3.85Å; P6-L34 HydrophobicContact CG-CB 4.42Å; P6-L34 HydrophobicContact CG-CD1 3.97Å; P6-L34 HydrophobicContact CG-CD2 4.39Å; P6-L34 HydrophobicContact CG-CG 4.49Å; Y9-L34 HydrophobicContact CD2-CD2 3.98Å; F14-L34 HydrophobicContact CE1-CD2 4.13Å; A30-L34 WeakPolarHBondContact O-CB 3.48Å; A30-L34 PolarHBondContact O-N 3.47Å; W31-L34 HydrophobicContact CE3-CD2 3.92Å; W31-L34 HydrophobicContact CH2-CD2 4.42Å; W31-L34 HydrophobicContact CZ3-CD2 3.65Å; W31-L34 PolarHBondContact O-N 2.96Å; L34-S37 PolarHBondContact O-N 2.9Å; L34-Y38 VanDerWaalsContact O-CB 3.28Å; L34-Y38 WeakPolarHBondContact O-CB 3.4Å; L34-Y38 PolarHBondContact O-N 2.98Å; L34-V57 HydrophobicContact CD1-CG2 4.29Å; L34-V57 HydrophobicContact CD2-CG2 4.17Å; L34-V57 HydrophobicContact CG-CG2 3.82Å
35V96.9Very high95.1Very high4 Ų451.5 Ų51.52%0.02426%0.259CS..Hα-helixtrans-60.9-48.3179.41720000110.9W31 C32 S37 Y38 C39 V57 F58 V75 F76 L79W31-V35 VanDerWaalsContact O-CG2 3.31Å; W31-V35 WeakPolarHBondContact O-CG2 3.27Å; W31-V35 PolarHBondContact O-N 3.01Å; C32-V35 PolarHBondContact O-N 2.83Å; V35-S37 PolarHBondContact O-N 3.17Å; V35-Y38 PolarHBondContact O-N 3.09Å; V35-C39 WeakPolarHBondContact O-CB 3.33Å; V35-C39 PolarHBondContact O-N 3.31Å; V35-C39 PolarHBondContact O-SG 3.18Å; V35-C39 VanDerWaalsContact O-SG 3.39Å; V35-V57 HydrophobicContact CG2-CG2 4.45Å; V35-F58 HydrophobicContact CG2-CE1 3.79Å; V35-F58 HydrophobicContact CG2-CE2 4.47Å; V35-F58 HydrophobicContact CG2-CZ 3.46Å; V35-F58 VanDerWaalsContact CG2-CZ 3.46Å; V35-V75 HydrophobicContact CG2-CG1 4.28Å; V35-F76 HydrophobicContact CG1-CE1 4.29Å; V35-L79 HydrophobicContact CB-CD1 4.21Å; V35-L79 HydrophobicContact CG1-CD1 3.79Å
36L95.8Very high94.9Very high30 Ų3048.3 Ų48.316%0.15725%0.248CC..Hα-helixtrans-64.7-42.1-179.7-64.3170.5000111.8C32 S33 R40 L79 N84 V97 W99C32-L36 VanDerWaalsContact O-CG 3.25Å; C32-L36 WeakPolarHBondContact O-CG 3.38Å; C32-L36 PolarHBondContact O-N 2.82Å; S33-L36 PolarHBondContact O-N 3.21Å; L36-R40 VanDerWaalsContact O-CB 3.31Å; L36-R40 WeakPolarHBondContact O-CB 3.47Å; L36-R40 PolarHBondContact O-N 3.07Å; L36-L79 HydrophobicContact CD1-CD2 3.83Å; L36-L79 HydrophobicContact CD2-CD2 3.97Å; L36-L79 HydrophobicContact CG-CD2 3.82Å; L36-N84 HydrophobicContact CD1-CB 4.28Å; L36-N84 HydrophobicContact CD2-CB 3.84Å; L36-V97 HydrophobicContact CD2-CG1 3.86Å; L36-W99 HydrophobicContact CB-CB 4.21Å; L36-W99 HydrophobicContact CD2-CB 4.32Å; L36-W99 WeakPolarHBondContact O-CB 3.42Å
37S95.7Very high94.8Very high57 Ų5741.5 Ų41.540%0.39922%0.22SC..Hα-helixtrans-62.7-42175.6-65.80000112S33 L34 V35 R40 H41S33-S37 WeakPolarHBondContact O-CB 3.35Å; S33-S37 PolarHBondContact O-N 3.4Å; S33-S37 PolarHBondContact O-OG 3.39Å; S33-S37 VanDerWaalsContact O-OG 3.05Å; L34-S37 PolarHBondContact O-N 2.9Å; V35-S37 PolarHBondContact O-N 3.17Å; S37-R40 PolarHBondContact O-N 3.32Å; S37-H41 WeakPolarHBondContact O-CB 3.47Å; S37-H41 PolarHBondContact O-N 2.97Å
38Y95.9Very high94.7Very high25 Ų2542.5 Ų42.510%0.09823%0.225CC..Hα-helixtrans-66.3-48.5178.6-175.1-91.4000111.4F3 W5 L34 V35 R40 H41 H42 L44 V57F3-Y38 HydrophobicContact CD1-CD2 4.1Å; F3-Y38 HydrophobicContact CD2-CD2 4.47Å; F3-Y38 HydrophobicContact CE1-CD2 4.11Å; F3-Y38 HydrophobicContact CE2-CD2 4.5Å; F3-Y38 HydrophobicContact CG-CD2 4.27Å; F3-Y38 HydrophobicContact CZ-CD2 4.31Å; W5-Y38 AromaticContact CH2-CD2 3.8Å; W5-Y38 HydrophobicContact CH2-CD2 3.8Å; W5-Y38 AromaticContact CH2-CE2 3.76Å; W5-Y38 HydrophobicContact CH2-CE2 3.76Å; W5-Y38 HydrophobicContact CZ2-CD2 4.39Å; W5-Y38 HydrophobicContact CZ2-CE2 4.14Å; W5-Y38 HydrophobicContact CZ3-CD2 4.39Å; L34-Y38 VanDerWaalsContact O-CB 3.28Å; L34-Y38 WeakPolarHBondContact O-CB 3.4Å; L34-Y38 PolarHBondContact O-N 2.98Å; V35-Y38 PolarHBondContact O-N 3.09Å; Y38-R40 VanDerWaalsContact C-N 3.32Å; Y38-R40 PolarHBondContact O-N 2.83Å; Y38-H41 PolarHBondContact O-N 3.34Å; Y38-H42 AromaticContact CD2-CD2 3.83Å; Y38-H42 AromaticContact CE1-CD2 3.78Å; Y38-H42 AromaticContact CE2-CD2 3.53Å; Y38-H42 AromaticContact CE2-NE2 3.42Å; Y38-H42 WeakPolarHBondContact CE2-NE2 3.37Å; Y38-H42 AromaticContact CZ-CD2 3.5Å; Y38-H42 VanDerWaalsContact CZ-CD2 3.5Å; Y38-H42 AromaticContact CZ-NE2 3.63Å; Y38-H42 PolarHBondContact O-CD2 2.87Å; Y38-H42 PolarHBondContact O-N 2.74Å; Y38-H42 VanDerWaalsContact O-N 3.08Å; Y38-L44 HydrophobicContact CD1-CD1 4.35Å; Y38-L44 HydrophobicContact CE1-CD1 3.94Å; Y38-V57 HydrophobicContact CD1-CB 3.96Å; Y38-V57 HydrophobicContact CD1-CG1 4.28Å; Y38-V57 HydrophobicContact CD1-CG2 4.37Å; Y38-V57 HydrophobicContact CD2-CB 4.19Å; Y38-V57 HydrophobicContact CD2-CG2 4.42Å; Y38-V57 HydrophobicContact CE1-CB 4.25Å; Y38-V57 HydrophobicContact CE1-CG1 4.49Å; Y38-V57 HydrophobicContact CE2-CB 4.45Å; Y38-V57 HydrophobicContact CG-CB 3.93Å; Y38-V57 HydrophobicContact CG-CG2 4Å
39C94.1Very high94.5Very high5 Ų542 Ų423%0.03422%0.223CC..Hα-helixtrans-58.8-42.5175.6-730000111.8V35 H42 K43 L44 V97 W99V35-C39 WeakPolarHBondContact O-CB 3.33Å; V35-C39 PolarHBondContact O-N 3.31Å; V35-C39 PolarHBondContact O-SG 3.18Å; V35-C39 VanDerWaalsContact O-SG 3.39Å; C39-H42 PolarHBondContact O-N 2.96Å; C39-K43 CarbonylContact O-C 3.4Å; C39-K43 WeakPolarHBondContact O-CA 3.32Å; C39-K43 PolarHBondContact O-N 3.43Å; C39-L44 HydrophobicContact CB-CB 4.35Å; C39-L44 WeakPolarHBondContact CB-O 3.37Å; C39-L44 PolarHBondContact O-N 3.07Å; C39-V97 HydrophobicContact CB-CG1 4.04Å; C39-W99 HydrophobicContact CB-CE3 3.93Å; C39-W99 HydrophobicContact CB-CZ3 4.3Å
40R92.3Very high94.2Very high129 Ų12945.5 Ų45.549%0.48723%0.233SC..Hα-helixtrans-59.2-48.2174.4-178.2179-177.6-155.53112L36 S37 Y38 H42 K43 W99 E138L36-R40 VanDerWaalsContact O-CB 3.31Å; L36-R40 WeakPolarHBondContact O-CB 3.47Å; L36-R40 PolarHBondContact O-N 3.07Å; S37-R40 PolarHBondContact O-N 3.32Å; Y38-R40 VanDerWaalsContact C-N 3.32Å; Y38-R40 PolarHBondContact O-N 2.83Å; R40-H42 VanDerWaalsContact C-N 3.28Å; R40-H42 PolarHBondContact O-N 3.19Å; R40-K43 PolarHBondContact O-N 3.34Å; R40-W99 HydrophobicContact CB-CB 3.98Å; R40-W99 HydrophobicContact CB-CD2 4Å; R40-W99 HydrophobicContact CB-CG 3.61Å; R40-W99 HydrophobicContact CG-CG 4.1Å; R40-E138 IonicContact CZ-OE2 3.5Å; R40-E138 IonicContact NH2-OE2 2.77Å; R40-E138 PolarHBondContact NH2-OE2 3.27Å
41H92.3Very high94Very high79 Ų7951.4 Ų51.437%0.36626%0.256SS..Hα-helixtrans-62.3-37.3-176.5-174.883.3000112.4M1 F3 S37 Y38M1-H41 PolarHBondContact O-CE1 2.9Å; M1-H41 PolarHBondContact O-NE2 3.39Å; F3-H41 HydrophobicContact CD2-CB 3.65Å; F3-H41 AromaticContact CD2-CG 3.74Å; F3-H41 HydrophobicContact CE2-CB 4.22Å; F3-H41 PolarHBondContact N-NE2 2.98Å; S37-H41 WeakPolarHBondContact O-CB 3.47Å; S37-H41 PolarHBondContact O-N 2.97Å; Y38-H41 PolarHBondContact O-N 3.34Å
42H90.7Very high93.7Very high86 Ų8651.6 Ų51.640%0.39826%0.259SS..THydrogen-bonded Turntrans-97.95.2-179.1-68.9-78.1000114Y38 C39 R40 L44Y38-H42 AromaticContact CD2-CD2 3.83Å; Y38-H42 AromaticContact CE1-CD2 3.78Å; Y38-H42 AromaticContact CE2-CD2 3.53Å; Y38-H42 AromaticContact CE2-NE2 3.42Å; Y38-H42 WeakPolarHBondContact CE2-NE2 3.37Å; Y38-H42 AromaticContact CZ-CD2 3.5Å; Y38-H42 VanDerWaalsContact CZ-CD2 3.5Å; Y38-H42 AromaticContact CZ-NE2 3.63Å; Y38-H42 PolarHBondContact O-CD2 2.87Å; Y38-H42 PolarHBondContact O-N 2.74Å; Y38-H42 VanDerWaalsContact O-N 3.08Å; C39-H42 PolarHBondContact O-N 2.96Å; R40-H42 VanDerWaalsContact C-N 3.28Å; R40-H42 PolarHBondContact O-N 3.19Å; H42-L44 VanDerWaalsContact C-N 3.27Å; H42-L44 HydrophobicContact CB-CD1 3.79Å; H42-L44 HydrophobicContact CB-CD2 4.4Å; H42-L44 HydrophobicContact CB-CG 3.65Å; H42-L44 PolarHBondContact O-N 3.38Å
43K88.6Confident93.5Very high126 Ų12652.9 Ų52.955%0.54826%0.264SS..THydrogen-bonded Turntrans50.741.1-173.8-58.8-170.8176.8-166.40113.6C39 R40 Y45 W99 H140C39-K43 CarbonylContact O-C 3.4Å; C39-K43 WeakPolarHBondContact O-CA 3.32Å; C39-K43 PolarHBondContact O-N 3.43Å; R40-K43 PolarHBondContact O-N 3.34Å; K43-Y45 WeakPolarHBondContact O-CD2 3.27Å; K43-Y45 PolarHBondContact O-N 2.93Å; K43-W99 HydrophobicContact CB-CH2 4.47Å; K43-H140 PolarHBondContact NZ-O 3.14Å
44L90.8Very high93.4Very high69 Ų6954.6 Ų54.636%0.36127%0.265SS..  trans-93.198.1-176.4-61175.1000112.4Y38 C39 H42 W99Y38-L44 HydrophobicContact CD1-CD1 4.35Å; Y38-L44 HydrophobicContact CE1-CD1 3.94Å; C39-L44 HydrophobicContact CB-CB 4.35Å; C39-L44 WeakPolarHBondContact CB-O 3.37Å; C39-L44 PolarHBondContact O-N 3.07Å; H42-L44 VanDerWaalsContact C-N 3.27Å; H42-L44 HydrophobicContact CB-CD1 3.79Å; H42-L44 HydrophobicContact CB-CD2 4.4Å; H42-L44 HydrophobicContact CB-CG 3.65Å; H42-L44 PolarHBondContact O-N 3.38Å; L44-W99 VanDerWaalsContact O-CZ3 3.27Å; L44-W99 WeakPolarHBondContact O-CZ3 3.41Å
45Y90.6Very high93.2Very high14 Ų1455.7 Ų55.76%0.05527%0.272CS..  trans-88.5-23-179.2-68.4-80.2000114.4K43 L96 V97 W99 L142 E143 W145 M146K43-Y45 WeakPolarHBondContact O-CD2 3.27Å; K43-Y45 PolarHBondContact O-N 2.93Å; Y45-L96 CarbonylContact O-C 3.52Å; Y45-L96 VanDerWaalsContact O-CA 3.26Å; Y45-L96 WeakPolarHBondContact O-CA 3.24Å; Y45-V97 PolarHBondContact O-N 3.17Å; Y45-W99 HydrophobicContact CD1-CE3 4.25Å; Y45-W99 AromaticContact CD1-CH2 3.42Å; Y45-W99 HydrophobicContact CD1-CH2 3.42Å; Y45-W99 VanDerWaalsContact CD1-CH2 3.42Å; Y45-W99 HydrophobicContact CD1-CZ2 4.15Å; Y45-W99 AromaticContact CD1-CZ3 3.42Å; Y45-W99 HydrophobicContact CD1-CZ3 3.42Å; Y45-W99 VanDerWaalsContact CD1-CZ3 3.42Å; Y45-W99 AromaticContact CD2-CH2 3.59Å; Y45-W99 HydrophobicContact CD2-CH2 3.59Å; Y45-W99 HydrophobicContact CD2-CZ3 4.13Å; Y45-W99 HydrophobicContact CE1-CD2 4.5Å; Y45-W99 HydrophobicContact CE1-CE3 4.25Å; Y45-W99 AromaticContact CE1-CH2 3.09Å; Y45-W99 HydrophobicContact CE1-CH2 3.09Å; Y45-W99 AromaticContact CE1-CZ2 3.36Å; Y45-W99 HydrophobicContact CE1-CZ2 3.36Å; Y45-W99 AromaticContact CE1-CZ3 3.53Å; Y45-W99 HydrophobicContact CE1-CZ3 3.53Å; Y45-W99 AromaticContact CE2-CH2 3.3Å; Y45-W99 HydrophobicContact CE2-CH2 3.3Å; Y45-W99 AromaticContact CE2-CZ2 3.84Å; Y45-W99 HydrophobicContact CE2-CZ2 3.84Å; Y45-W99 HydrophobicContact CE2-CZ3 4.24Å; Y45-W99 AromaticContact CG-CH2 3.66Å; Y45-W99 HydrophobicContact CG-CH2 3.66Å; Y45-W99 AromaticContact CG-CZ3 3.75Å; Y45-W99 HydrophobicContact CG-CZ3 3.75Å; Y45-W99 AromaticContact CZ-CH2 3.02Å; Y45-W99 AromaticContact CZ-CZ2 3.17Å; Y45-W99 AromaticContact CZ-CZ3 3.94Å; Y45-W99 WeakPolarHBondContact OH-CZ2 3.34Å; Y45-L142 HydrophobicContact CE1-CD1 3.99Å; Y45-L142 WeakPolarHBondContact OH-CD1 3.16Å; Y45-E143 HydrophobicContact CD2-CB 4.32Å; Y45-E143 HydrophobicContact CD2-CG 3.29Å; Y45-E143 HydrophobicContact CE2-CG 3.81Å; Y45-E143 HydrophobicContact CG-CB 4.47Å; Y45-E143 HydrophobicContact CG-CG 3.69Å; Y45-W145 HydrophobicContact CD1-CZ2 4.33Å; Y45-M146 HydrophobicContact CE1-CG 4.48Å
46T92.5Very high93.2Very high55 Ų5558.6 Ų58.634%0.33729%0.291SS..EExtended strand (participates in β ladder)trans-121134.6178.8-57.60000109.4L88 C95T46-L88 HydrophobicContact CG2-CD1 4.06Å; T46-C95 WeakPolarHBondContact CA-O 3.45Å
47V94.7Very high93.2Very high18 Ų1857.5 Ų57.511%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-131.7129.9-179.4-179.60000109.8A52 F76 R94 C95 V97V47-A52 HydrophobicContact CG1-CB 3.62Å; V47-F76 HydrophobicContact CG1-CE2 4.12Å; V47-F76 HydrophobicContact CG1-CZ 3.9Å; V47-R94 WeakPolarHBondContact O-CA 3.5Å; V47-C95 PolarHBondContact N-O 3.49Å; V47-C95 PolarHBondContact O-N 3.45Å; V47-V97 HydrophobicContact CB-CG2 4.22Å; V47-V97 HydrophobicContact CG2-CG2 3.69Å
48D95.3Very high93.2Very high32 Ų3254.9 Ų54.917%0.17127%0.267CS..EExtended strand (participates in β ladder)trans-91.2134.3163.9-178.5-81.8000109.6M50 E51 A52 R94D48-M50 VanDerWaalsContact C-N 3.34Å; D48-M50 PolarHBondContact O-N 3.42Å; D48-M50 WeakPolarHBondContact OD1-CA 3.46Å; D48-M50 WeakPolarHBondContact OD1-CB 3.09Å; D48-M50 PolarHBondContact OD1-N 2.94Å; D48-E51 HydrophobicContact CB-CB 4.08Å; D48-E51 HydrophobicContact CB-CG 3.99Å; D48-E51 PolarHBondContact O-N 3.07Å; D48-E51 PolarHBondContact OD1-N 3.38Å; D48-E51 VanDerWaalsContact OD1-N 3.11Å; D48-A52 WeakPolarHBondContact O-CB 3.47Å; D48-A52 PolarHBondContact O-N 3.2Å; D48-R94 HydrophobicContact CB-CG 4.17Å; D48-R94 WeakPolarHBondContact OD2-CG 3.23Å
49V93.1Very high93.3Very high2 Ų254.8 Ų54.81%0.01227%0.269CS..Hα-helixtrans-66.5-35.7-174173.90000112.2Q53 V69 I72 F76 W87 S93V49-Q53 PolarHBondContact O-N 3.38Å; V49-Q53 VanDerWaalsContact O-N 3.13Å; V49-V69 HydrophobicContact CG1-CG1 3.94Å; V49-I72 HydrophobicContact CG1-CG2 4.19Å; V49-F76 HydrophobicContact CG2-CD2 3.9Å; V49-F76 HydrophobicContact CG2-CE2 3.8Å; V49-W87 HydrophobicContact CG2-CH2 3.92Å; V49-W87 HydrophobicContact CG2-CZ3 3.81Å; V49-S93 WeakPolarHBondContact CG2-O 3.37Å; V49-S93 PolarHBondContact N-O 3.03Å
50M91.2Very high93.4Very high122 Ų12254.9 Ų54.960%0.60127%0.269SS*.Hα-helixtrans-74-43.3-179.6-65.1-63.9177.700110.6D48 A52 Q53 V69D48-M50 VanDerWaalsContact C-N 3.34Å; D48-M50 PolarHBondContact O-N 3.42Å; D48-M50 WeakPolarHBondContact OD1-CA 3.46Å; D48-M50 WeakPolarHBondContact OD1-CB 3.09Å; D48-M50 PolarHBondContact OD1-N 2.94Å; M50-A52 VanDerWaalsContact C-N 3.33Å; M50-Q53 WeakPolarHBondContact O-CB 3.34Å; M50-Q53 PolarHBondContact O-N 3.14Å; M50-V69 HydrophobicContact CE-CG1 4.43Å; M50-V69 HydrophobicContact SD-CG2 4.25Å
51E93.1Very high93.6Very high145 Ų14556.5 Ų56.568%0.67828%0.279SS*.Hα-helixtrans-63.6-41.4174.2-63.9-179.717500111.5D48 Q53 E54 S55D48-E51 HydrophobicContact CB-CB 4.08Å; D48-E51 HydrophobicContact CB-CG 3.99Å; D48-E51 PolarHBondContact O-N 3.07Å; D48-E51 PolarHBondContact OD1-N 3.38Å; D48-E51 VanDerWaalsContact OD1-N 3.11Å; E51-Q53 VanDerWaalsContact C-N 3.26Å; E51-Q53 PolarHBondContact O-N 3.17Å; E51-E54 PolarHBondContact O-N 3.37Å; E51-S55 PolarHBondContact O-N 3.02Å
52A91.9Very high93.8Very high7 Ų761.2 Ų61.26%0.05830%0.299CS..Hα-helixtrans-58-39.4176.100000111.7V47 D48 M50 E54 S55 F58V47-A52 HydrophobicContact CG1-CB 3.62Å; D48-A52 WeakPolarHBondContact O-CB 3.47Å; D48-A52 PolarHBondContact O-N 3.2Å; M50-A52 VanDerWaalsContact C-N 3.33Å; A52-E54 PolarHBondContact O-N 2.85Å; A52-S55 VanDerWaalsContact O-CB 3.27Å; A52-S55 WeakPolarHBondContact O-CB 3.45Å; A52-S55 PolarHBondContact O-N 3.4Å; A52-S55 PolarHBondContact O-OG 2.99Å; A52-F58 HydrophobicContact CB-CD2 3.91Å; A52-F58 HydrophobicContact CB-CE2 3.94Å; A52-F58 WeakPolarHBondContact O-CD2 3.47Å
53Q94.3Very high94.1Very high30 Ų3059 Ų5914%0.1429%0.289CS..Hα-helixtrans-58.9-34.4-179.8-164.6-172.345.100112.9V49 M50 E51 K66 L67 V69 I72V49-Q53 PolarHBondContact O-N 3.38Å; V49-Q53 VanDerWaalsContact O-N 3.13Å; M50-Q53 WeakPolarHBondContact O-CB 3.34Å; M50-Q53 PolarHBondContact O-N 3.14Å; E51-Q53 VanDerWaalsContact C-N 3.26Å; E51-Q53 PolarHBondContact O-N 3.17Å; Q53-K66 HydrophobicContact CG-CD 4.15Å; Q53-K66 VanDerWaalsContact CG-CE 3.43Å; Q53-K66 HydrophobicContact CG-CG 4.35Å; Q53-K66 VanDerWaalsContact NE2-CE 3.27Å; Q53-L67 PolarHBondContact NE2-O 3.11Å; Q53-V69 VanDerWaalsContact CD-CG2 3.42Å; Q53-V69 HydrophobicContact CG-CG2 4.39Å; Q53-V69 VanDerWaalsContact NE2-CG2 3.26Å; Q53-I72 HydrophobicContact CB-CD1 3.81Å; Q53-I72 HydrophobicContact CG-CD1 3.74Å
54E93.9Very high94.4Very high108 Ų10860.8 Ų60.851%0.50530%0.3SS..Hα-helixtrans-85.7-11.9177-65.2-52.2139.200113.6E51 A52 K66E51-E54 PolarHBondContact O-N 3.37Å; A52-E54 PolarHBondContact O-N 2.85Å; E54-K66 IonicContact OE1-NZ 3.8Å; E54-K66 PolarHBondContact OE1-NZ 3.38Å
55S94.3Very high94.8Very high26 Ų2662.8 Ų62.818%0.18230%0.302CS..SBendtrans-70.4156.2-179.8790000112.4E51 A52 V57 F58 N59E51-S55 PolarHBondContact O-N 3.02Å; A52-S55 VanDerWaalsContact O-CB 3.27Å; A52-S55 WeakPolarHBondContact O-CB 3.45Å; A52-S55 PolarHBondContact O-N 3.4Å; A52-S55 PolarHBondContact O-OG 2.99Å; S55-V57 PolarHBondContact O-N 3.25Å; S55-V57 VanDerWaalsContact O-N 3.09Å; S55-V57 WeakPolarHBondContact OG-CG1 3.14Å; S55-F58 PolarHBondContact O-N 3.13Å; S55-N59 WeakPolarHBondContact O-CB 3.41Å; S55-N59 PolarHBondContact O-N 3.29Å
56P95.5Very high95.1Very high65 Ų6565.9 Ų65.942%0.42232%0.316SS..THydrogen-bonded Turntrans-56.4-27.6178.1-25.534.2000114W5 Y9 F58W5-P56 HydrophobicContact CH2-CB 4.05Å; W5-P56 HydrophobicContact CZ2-CB 4.09Å; Y9-P56 WeakPolarHBondContact CE2-O 3.37Å; Y9-P56 PolarHBondContact OH-O 3.36Å; P56-F58 VanDerWaalsContact C-N 3.31Å; P56-F58 PolarHBondContact O-N 3.03Å
57V96.1Very high95.2Very high7 Ų763.4 Ų63.44%0.04230%0.301CS..THydrogen-bonded Turntrans-67.2-33.8-177.575.30000112.1W5 W31 L34 V35 Y38 S55W5-V57 HydrophobicContact CH2-CB 4.45Å; W5-V57 HydrophobicContact CZ3-CB 4.5Å; W5-V57 HydrophobicContact CZ3-CG2 4.37Å; W31-V57 VanDerWaalsContact CZ3-O 3.25Å; W31-V57 WeakPolarHBondContact CZ3-O 3.4Å; L34-V57 HydrophobicContact CD1-CG2 4.29Å; L34-V57 HydrophobicContact CD2-CG2 4.17Å; L34-V57 HydrophobicContact CG-CG2 3.82Å; V35-V57 HydrophobicContact CG2-CG2 4.45Å; Y38-V57 HydrophobicContact CD1-CB 3.96Å; Y38-V57 HydrophobicContact CD1-CG1 4.28Å; Y38-V57 HydrophobicContact CD1-CG2 4.37Å; Y38-V57 HydrophobicContact CD2-CB 4.19Å; Y38-V57 HydrophobicContact CD2-CG2 4.42Å; Y38-V57 HydrophobicContact CE1-CB 4.25Å; Y38-V57 HydrophobicContact CE1-CG1 4.49Å; Y38-V57 HydrophobicContact CE2-CB 4.45Å; Y38-V57 HydrophobicContact CG-CB 3.93Å; Y38-V57 HydrophobicContact CG-CG2 4Å; S55-V57 PolarHBondContact O-N 3.25Å; S55-V57 VanDerWaalsContact O-N 3.09Å; S55-V57 WeakPolarHBondContact OG-CG1 3.14Å
58F97.1Very high95.3Very high2 Ų264.9 Ų64.91%0.00931%0.312CS..THydrogen-bonded Turntrans-108.2-9.1-179.4-62.7-61000114.2W31 V35 A52 S55 P56 K66 L67 I72 F76W31-F58 HydrophobicContact CE3-CD1 4.09Å; W31-F58 AromaticContact CE3-CE1 3.86Å; W31-F58 HydrophobicContact CE3-CE1 3.86Å; W31-F58 HydrophobicContact CH2-CD1 4.09Å; W31-F58 AromaticContact CZ3-CD1 3.59Å; W31-F58 HydrophobicContact CZ3-CD1 3.59Å; W31-F58 AromaticContact CZ3-CE1 3.82Å; W31-F58 HydrophobicContact CZ3-CE1 3.82Å; V35-F58 HydrophobicContact CG2-CE1 3.79Å; V35-F58 HydrophobicContact CG2-CE2 4.47Å; V35-F58 HydrophobicContact CG2-CZ 3.46Å; V35-F58 VanDerWaalsContact CG2-CZ 3.46Å; A52-F58 HydrophobicContact CB-CD2 3.91Å; A52-F58 HydrophobicContact CB-CE2 3.94Å; A52-F58 WeakPolarHBondContact O-CD2 3.47Å; S55-F58 PolarHBondContact O-N 3.13Å; P56-F58 VanDerWaalsContact C-N 3.31Å; P56-F58 PolarHBondContact O-N 3.03Å; F58-K66 CarbonylContact O-C 3.58Å; F58-K66 WeakPolarHBondContact O-CA 3.21Å; F58-L67 HydrophobicContact CB-CB 4.28Å; F58-L67 HydrophobicContact CD1-CB 4.27Å; F58-L67 HydrophobicContact CD1-CD2 3.71Å; F58-L67 HydrophobicContact CE1-CD2 4.04Å; F58-L67 PolarHBondContact O-N 3.29Å; F58-I72 HydrophobicContact CB-CD1 3.94Å; F58-I72 HydrophobicContact CB-CG1 4.37Å; F58-I72 HydrophobicContact CD1-CD1 4.33Å; F58-I72 HydrophobicContact CD1-CG1 3.87Å; F58-I72 HydrophobicContact CD2-CD1 4.03Å; F58-I72 HydrophobicContact CD2-CG1 4.24Å; F58-I72 HydrophobicContact CE1-CG1 4.19Å; F58-I72 HydrophobicContact CE2-CG2 4.13Å; F58-I72 HydrophobicContact CG-CD1 3.84Å; F58-I72 HydrophobicContact CG-CG1 3.9Å; F58-I72 HydrophobicContact CZ-CG2 4.14Å; F58-F76 HydrophobicContact CE2-CE1 4.07Å; F58-F76 HydrophobicContact CE2-CZ 4.12Å; F58-F76 AromaticContact CZ-CE1 3.74Å; F58-F76 HydrophobicContact CZ-CE1 3.74Å; F58-F76 HydrophobicContact CZ-CZ 4.25Å
59N97.3Very high95.3Very high24 Ų2464.8 Ų64.813%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-124.996.2179.6-173.9-4.9000111.4S55 K61 K66S55-N59 WeakPolarHBondContact O-CB 3.41Å; S55-N59 PolarHBondContact O-N 3.29Å; N59-K61 PolarHBondContact O-N 3.2Å; N59-K66 HydrophobicContact CB-CB 4.45Å; N59-K66 HydrophobicContact CB-CD 4.35Å; N59-K66 HydrophobicContact CB-CG 4.16Å
60N97Very high95.3Very high6 Ų670.9 Ų70.93%0.03234%0.341CS..EExtended strand (participates in β ladder)trans-88.694.4172.9-169.7-13.9000111Y9 F15 K62 I63 E64 R65Y9-N60 WeakPolarHBondContact CD1-ND2 3.48Å; Y9-N60 HydrophobicContact CE1-CB 4.02Å; Y9-N60 WeakPolarHBondContact CE1-ND2 3.35Å; Y9-N60 HydrophobicContact CE2-CB 3.93Å; Y9-N60 PolarHBondContact O-ND2 3.44Å; Y9-N60 WeakPolarHBondContact OH-CA 3.38Å; Y9-N60 WeakPolarHBondContact OH-CB 3.38Å; F15-N60 HydrophobicContact CE1-CB 3.98Å; F15-N60 HydrophobicContact CE2-CB 4.13Å; F15-N60 HydrophobicContact CZ-CB 3.48Å; F15-N60 VanDerWaalsContact CZ-CB 3.48Å; N60-K62 PolarHBondContact O-N 2.96Å; N60-K62 VanDerWaalsContact OD1-CB 3.32Å; N60-K62 WeakPolarHBondContact OD1-CB 3.4Å; N60-K62 PolarHBondContact OD1-N 3.39Å; N60-I63 HydrophobicContact CB-CD1 4.38Å; N60-I63 HydrophobicContact CB-CG1 3.94Å; N60-I63 PolarHBondContact O-N 2.66Å; N60-E64 PolarHBondContact O-N 3.35Å; N60-E64 VanDerWaalsContact O-N 3.16Å; N60-R65 CarbonylContact C-O 3.58Å; N60-R65 WeakPolarHBondContact CA-O 3.46Å; N60-R65 PolarHBondContact N-O 3.2Å; N60-R65 PolarHBondContact O-N 3.34Å; N60-R65 VanDerWaalsContact O-N 3.09Å
61K95.8Very high95.5Very high164 Ų16465.5 Ų65.571%0.71332%0.316SS*.THydrogen-bonded Turntrans-63-24.7177.2-61.6-175.9-178.7-1800113.7N59N59-K61 PolarHBondContact O-N 3.2Å
62K95.9Very high95.7Very high178 Ų17858.6 Ų58.677%0.77428%0.283SS*.THydrogen-bonded Turntrans-70.5-34.5-177.7-176.2-178176.3-176.90112.7N60N60-K62 PolarHBondContact O-N 2.96Å; N60-K62 VanDerWaalsContact OD1-CB 3.32Å; N60-K62 WeakPolarHBondContact OD1-CB 3.4Å; N60-K62 PolarHBondContact OD1-N 3.39Å
63I96.5Very high95.8Very high38 Ų3860.5 Ų60.520%0.19529%0.291CS..THydrogen-bonded Turntrans-107.97.5178.567.4171.5000112.3P12 F15 N60 R65P12-I63 HydrophobicContact CG-CD1 4.28Å; F15-I63 HydrophobicContact CD2-CD1 4.04Å; F15-I63 HydrophobicContact CE2-CD1 3.75Å; N60-I63 HydrophobicContact CB-CD1 4.38Å; N60-I63 HydrophobicContact CB-CG1 3.94Å; N60-I63 PolarHBondContact O-N 2.66Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 HydrophobicContact CD1-CB 3.98Å; I63-R65 HydrophobicContact CD1-CG 3.97Å; I63-R65 HydrophobicContact CG1-CB 3.87Å; I63-R65 HydrophobicContact CG1-CG 3.94Å; I63-R65 PolarHBondContact O-N 3.1Å
64E96.6Very high95.9Very high165 Ų16561.4 Ų61.477%0.77130%0.299SS*.THydrogen-bonded Turntrans52.649.5-178.2-56.7179.7166.800112.2N60N60-E64 PolarHBondContact O-N 3.35Å; N60-E64 VanDerWaalsContact O-N 3.16Å
65R97.3Very high96.1Very high110 Ų11056.4 Ų56.442%0.41528%0.275SS..EExtended strand (participates in β ladder)trans-130.8135.7177.5-67.1-66.6179.8-943111.4P12 F15 N60 I63P12-R65 HydrophobicContact CB-CG 4.09Å; F15-R65 HydrophobicContact CB-CB 3.76Å; F15-R65 HydrophobicContact CB-CG 4.48Å; F15-R65 HydrophobicContact CD1-CB 4.12Å; F15-R65 HydrophobicContact CD2-CB 3.71Å; F15-R65 HydrophobicContact CD2-CG 4.47Å; F15-R65 HydrophobicContact CE2-CB 4.37Å; F15-R65 HydrophobicContact CG-CB 3.58Å; N60-R65 CarbonylContact C-O 3.58Å; N60-R65 WeakPolarHBondContact CA-O 3.46Å; N60-R65 PolarHBondContact N-O 3.2Å; N60-R65 PolarHBondContact O-N 3.34Å; N60-R65 VanDerWaalsContact O-N 3.09Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 HydrophobicContact CD1-CB 3.98Å; I63-R65 HydrophobicContact CD1-CG 3.97Å; I63-R65 HydrophobicContact CG1-CB 3.87Å; I63-R65 HydrophobicContact CG1-CG 3.94Å; I63-R65 PolarHBondContact O-N 3.1Å
66K96.8Very high96.2Very high80 Ų8055.2 Ų55.235%0.34827%0.267SS..EExtended strand (participates in β ladder)trans-135.2136.9178.9177.7174.5123.6160.30109Q53 E54 F58 N59Q53-K66 HydrophobicContact CG-CD 4.15Å; Q53-K66 VanDerWaalsContact CG-CE 3.43Å; Q53-K66 HydrophobicContact CG-CG 4.35Å; Q53-K66 VanDerWaalsContact NE2-CE 3.27Å; E54-K66 IonicContact OE1-NZ 3.8Å; E54-K66 PolarHBondContact OE1-NZ 3.38Å; F58-K66 CarbonylContact O-C 3.58Å; F58-K66 WeakPolarHBondContact O-CA 3.21Å; N59-K66 HydrophobicContact CB-CB 4.45Å; N59-K66 HydrophobicContact CB-CD 4.35Å; N59-K66 HydrophobicContact CB-CG 4.16Å
67L96.5Very high96.3Very high2 Ų253.9 Ų53.91%0.0126%0.255CS..  trans-75.3135.4175.8-159.367.9000109.1F15 W31 Q53 F58 A71 I72 V75F15-L67 HydrophobicContact CD1-CB 4.44Å; F15-L67 WeakPolarHBondContact O-CD1 3.49Å; W31-L67 HydrophobicContact CD2-CD2 4.26Å; W31-L67 HydrophobicContact CH2-CD2 4.31Å; W31-L67 HydrophobicContact CZ2-CD1 4.01Å; W31-L67 HydrophobicContact CZ2-CD2 3.98Å; W31-L67 HydrophobicContact CZ2-CG 4.41Å; Q53-L67 PolarHBondContact NE2-O 3.11Å; F58-L67 HydrophobicContact CB-CB 4.28Å; F58-L67 HydrophobicContact CD1-CB 4.27Å; F58-L67 HydrophobicContact CD1-CD2 3.71Å; F58-L67 HydrophobicContact CE1-CD2 4.04Å; F58-L67 PolarHBondContact O-N 3.29Å; L67-A71 HydrophobicContact CD1-CB 3.74Å; L67-A71 HydrophobicContact CD2-CB 4.24Å; L67-A71 HydrophobicContact CG-CB 3.68Å; L67-I72 HydrophobicContact CB-CG1 4.1Å; L67-I72 HydrophobicContact CD2-CG1 3.75Å; L67-I72 HydrophobicContact CG-CG1 4.07Å; L67-V75 HydrophobicContact CD2-CG2 4.29Å
68S95.9Very high96.3Very high50 Ų5056 Ų5635%0.3526%0.264SS..  trans-69157.8177.486.40000110.9E70 A71 I72S68-E70 WeakPolarHBondContact CB-OE2 3.37Å; S68-E70 PolarHBondContact O-N 3.38Å; S68-E70 PolarHBondContact OG-OE2 3.13Å; S68-A71 PolarHBondContact O-N 3.34Å; S68-A71 VanDerWaalsContact O-N 3.14Å; S68-A71 PolarHBondContact OG-N 2.66Å; S68-I72 WeakPolarHBondContact O-CG1 3.37Å; S68-I72 PolarHBondContact O-N 2.87Å
69V94.4Very high96.2Very high29 Ų2955.9 Ų55.918%0.17626%0.264CS..Hα-helixtrans-59.1-40179178.50000110.4V49 M50 Q53 A71 I72 Q73V49-V69 HydrophobicContact CG1-CG1 3.94Å; M50-V69 HydrophobicContact CE-CG1 4.43Å; M50-V69 HydrophobicContact SD-CG2 4.25Å; Q53-V69 VanDerWaalsContact CD-CG2 3.42Å; Q53-V69 HydrophobicContact CG-CG2 4.39Å; Q53-V69 VanDerWaalsContact NE2-CG2 3.26Å; V69-A71 VanDerWaalsContact C-N 3.33Å; V69-A71 PolarHBondContact O-N 3.5Å; V69-I72 PolarHBondContact O-N 3.45Å; V69-Q73 HydrophobicContact CG1-CG 4.39Å; V69-Q73 VanDerWaalsContact O-CG 3.29Å; V69-Q73 WeakPolarHBondContact O-CG 3.35Å; V69-Q73 PolarHBondContact O-N 2.9Å
70E93.8Very high96.2Very high131 Ų13159.9 Ų59.961%0.61228%0.277SS*.Hα-helixtrans-62.6-41.5179-5373.7-159.800110.9S68 Q73 V74S68-E70 WeakPolarHBondContact CB-OE2 3.37Å; S68-E70 PolarHBondContact O-N 3.38Å; S68-E70 PolarHBondContact OG-OE2 3.13Å; E70-Q73 WeakPolarHBondContact O-CB 3.27Å; E70-Q73 PolarHBondContact O-N 3.02Å; E70-V74 WeakPolarHBondContact O-CG2 3.46Å; E70-V74 PolarHBondContact O-N 2.9Å; E70-V74 VanDerWaalsContact O-N 3.09Å
71A95.7Very high96Very high8 Ų865.7 Ų65.77%0.06630%0.302CS..Hα-helixtrans-70.6-36176.900000112.3L67 S68 V69 V74 V75L67-A71 HydrophobicContact CD1-CB 3.74Å; L67-A71 HydrophobicContact CD2-CB 4.24Å; L67-A71 HydrophobicContact CG-CB 3.68Å; S68-A71 PolarHBondContact O-N 3.34Å; S68-A71 VanDerWaalsContact O-N 3.14Å; S68-A71 PolarHBondContact OG-N 2.66Å; V69-A71 VanDerWaalsContact C-N 3.33Å; V69-A71 PolarHBondContact O-N 3.5Å; A71-V74 PolarHBondContact O-N 2.73Å; A71-V75 WeakPolarHBondContact O-CG2 3.34Å; A71-V75 PolarHBondContact O-N 2.81Å
72I96.6Very high95.9Very high0 Ų062.9 Ų62.90%029%0.29CS..Hα-helixtrans-61.3-45.5171.9-65.7166.7000110.4V49 Q53 F58 L67 S68 V69 V74 V75 F76V49-I72 HydrophobicContact CG1-CG2 4.19Å; Q53-I72 HydrophobicContact CB-CD1 3.81Å; Q53-I72 HydrophobicContact CG-CD1 3.74Å; F58-I72 HydrophobicContact CB-CD1 3.94Å; F58-I72 HydrophobicContact CB-CG1 4.37Å; F58-I72 HydrophobicContact CD1-CD1 4.33Å; F58-I72 HydrophobicContact CD1-CG1 3.87Å; F58-I72 HydrophobicContact CD2-CD1 4.03Å; F58-I72 HydrophobicContact CD2-CG1 4.24Å; F58-I72 HydrophobicContact CE1-CG1 4.19Å; F58-I72 HydrophobicContact CE2-CG2 4.13Å; F58-I72 HydrophobicContact CG-CD1 3.84Å; F58-I72 HydrophobicContact CG-CG1 3.9Å; F58-I72 HydrophobicContact CZ-CG2 4.14Å; L67-I72 HydrophobicContact CB-CG1 4.1Å; L67-I72 HydrophobicContact CD2-CG1 3.75Å; L67-I72 HydrophobicContact CG-CG1 4.07Å; S68-I72 WeakPolarHBondContact O-CG1 3.37Å; S68-I72 PolarHBondContact O-N 2.87Å; V69-I72 PolarHBondContact O-N 3.45Å; I72-V74 VanDerWaalsContact C-N 3.27Å; I72-V74 PolarHBondContact O-N 3.12Å; I72-V75 WeakPolarHBondContact O-CB 3.28Å; I72-V75 PolarHBondContact O-N 2.76Å; I72-V75 VanDerWaalsContact O-N 3.08Å; I72-F76 HydrophobicContact CG2-CD1 4.32Å; I72-F76 HydrophobicContact CG2-CD2 4.38Å; I72-F76 HydrophobicContact CG2-CE1 4.15Å; I72-F76 HydrophobicContact CG2-CE2 4.19Å; I72-F76 HydrophobicContact CG2-CG 4.44Å; I72-F76 HydrophobicContact CG2-CZ 4.07Å; I72-F76 PolarHBondContact O-N 3.16Å
73Q95.5Very high95.6Very high47 Ų4756.1 Ų56.122%0.2227%0.271CS..Hα-helixtrans-57.9-39.7176.1-73.5-74.6-9.500111.9V69 E70 F76 E77 W87 K92V69-Q73 HydrophobicContact CG1-CG 4.39Å; V69-Q73 VanDerWaalsContact O-CG 3.29Å; V69-Q73 WeakPolarHBondContact O-CG 3.35Å; V69-Q73 PolarHBondContact O-N 2.9Å; E70-Q73 WeakPolarHBondContact O-CB 3.27Å; E70-Q73 PolarHBondContact O-N 3.02Å; Q73-F76 PolarHBondContact O-N 2.96Å; Q73-E77 WeakPolarHBondContact O-CB 3.39Å; Q73-E77 PolarHBondContact O-N 3.27Å; Q73-W87 VanDerWaalsContact OE1-CH2 3.24Å; Q73-K92 PolarHBondContact NE2-O 3.46Å
74V96.4Very high95.5Very high50 Ų5055.5 Ų55.530%0.30327%0.268SS..Hα-helixtrans-63.4-44.6173.9174.40000111.4L28 E70 A71 I72 F76 E77 E78L28-V74 HydrophobicContact CD1-CG1 4.1Å; L28-V74 HydrophobicContact CD2-CG1 3.84Å; E70-V74 WeakPolarHBondContact O-CG2 3.46Å; E70-V74 PolarHBondContact O-N 2.9Å; E70-V74 VanDerWaalsContact O-N 3.09Å; A71-V74 PolarHBondContact O-N 2.73Å; I72-V74 VanDerWaalsContact C-N 3.27Å; I72-V74 PolarHBondContact O-N 3.12Å; V74-F76 VanDerWaalsContact C-N 3.33Å; V74-F76 PolarHBondContact O-N 2.83Å; V74-E77 PolarHBondContact O-N 2.89Å; V74-E78 WeakPolarHBondContact O-CG 3.43Å; V74-E78 PolarHBondContact O-N 3.11Å
75V97.4Very high95.4Very high2 Ų248 Ų481%0.01223%0.233CC..Hα-helixtrans-60.3-44.1175.91730000111.1L28 W31 V35 L67 A71 I72 E78 L79L28-V75 HydrophobicContact CD2-CG2 3.83Å; W31-V75 HydrophobicContact CB-CB 4.47Å; W31-V75 HydrophobicContact CB-CG1 3.85Å; W31-V75 HydrophobicContact CB-CG2 3.69Å; W31-V75 HydrophobicContact CG-CG2 3.85Å; V35-V75 HydrophobicContact CG2-CG1 4.28Å; L67-V75 HydrophobicContact CD2-CG2 4.29Å; A71-V75 WeakPolarHBondContact O-CG2 3.34Å; A71-V75 PolarHBondContact O-N 2.81Å; I72-V75 WeakPolarHBondContact O-CB 3.28Å; I72-V75 PolarHBondContact O-N 2.76Å; I72-V75 VanDerWaalsContact O-N 3.08Å; V75-E78 PolarHBondContact O-N 3.04Å; V75-L79 HydrophobicContact CG1-CD1 4.49Å; V75-L79 PolarHBondContact O-N 3.45Å
76F97Very high95.3Very high1 Ų146.2 Ų46.20%0.00423%0.23CC..Hα-helixtrans-68-36.8-179.7-78.410.9000112.4V35 V47 V49 F58 I72 Q73 V74 E78 L79 R80 L85 W87 C95V35-F76 HydrophobicContact CG1-CE1 4.29Å; V47-F76 HydrophobicContact CG1-CE2 4.12Å; V47-F76 HydrophobicContact CG1-CZ 3.9Å; V49-F76 HydrophobicContact CG2-CD2 3.9Å; V49-F76 HydrophobicContact CG2-CE2 3.8Å; F58-F76 HydrophobicContact CE2-CE1 4.07Å; F58-F76 HydrophobicContact CE2-CZ 4.12Å; F58-F76 AromaticContact CZ-CE1 3.74Å; F58-F76 HydrophobicContact CZ-CE1 3.74Å; F58-F76 HydrophobicContact CZ-CZ 4.25Å; I72-F76 HydrophobicContact CG2-CD1 4.32Å; I72-F76 HydrophobicContact CG2-CD2 4.38Å; I72-F76 HydrophobicContact CG2-CE1 4.15Å; I72-F76 HydrophobicContact CG2-CE2 4.19Å; I72-F76 HydrophobicContact CG2-CG 4.44Å; I72-F76 HydrophobicContact CG2-CZ 4.07Å; I72-F76 PolarHBondContact O-N 3.16Å; Q73-F76 PolarHBondContact O-N 2.96Å; V74-F76 VanDerWaalsContact C-N 3.33Å; V74-F76 PolarHBondContact O-N 2.83Å; F76-E78 VanDerWaalsContact C-N 3.32Å; F76-E78 PolarHBondContact O-N 3.19Å; F76-L79 HydrophobicContact CD1-CD1 4.11Å; F76-L79 PolarHBondContact O-N 2.95Å; F76-R80 WeakPolarHBondContact O-CB 3.44Å; F76-R80 PolarHBondContact O-N 3.46Å; F76-L85 HydrophobicContact CB-CD1 3.6Å; F76-L85 HydrophobicContact CD1-CD1 3.96Å; F76-L85 HydrophobicContact CD2-CD1 3.9Å; F76-L85 HydrophobicContact CG-CD1 3.57Å; F76-W87 HydrophobicContact CB-CH2 3.89Å; F76-W87 HydrophobicContact CB-CZ2 3.72Å; F76-W87 AromaticContact CD2-CH2 3.64Å; F76-W87 HydrophobicContact CD2-CH2 3.64Å; F76-W87 HydrophobicContact CD2-CZ2 4.32Å; F76-W87 HydrophobicContact CD2-CZ3 4.21Å; F76-W87 HydrophobicContact CG-CH2 4.28Å; F76-C95 VanDerWaalsContact CE2-SG 3.52Å
77E96.1Very high95.2Very high38 Ų3844.1 Ų44.118%0.17822%0.22CC..Hα-helixtrans-64.5-37.2173-172.958.5-140.500111.7Q73 V74 R80 K81 K92Q73-E77 WeakPolarHBondContact O-CB 3.39Å; Q73-E77 PolarHBondContact O-N 3.27Å; V74-E77 PolarHBondContact O-N 2.89Å; E77-R80 WeakPolarHBondContact O-CB 3.24Å; E77-R80 PolarHBondContact O-N 2.74Å; E77-R80 IonicContact OE1-CZ 2.66Å; E77-R80 IonicContact OE1-NE 3.12Å; E77-R80 PolarHBondContact OE1-NE 2.73Å; E77-R80 IonicContact OE1-NH2 3.84Å; E77-R80 PolarHBondContact OE1-NH2 2.97Å; E77-R80 IonicContact OE2-NE 3.34Å; E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 3.26Å; E77-K92 IonicContact OE2-NZ 2.73Å; E77-K92 PolarHBondContact OE2-NZ 3.49Å
78E96.8Very high95.1Very high51 Ų5148.2 Ų48.224%0.23824%0.241CC..Hα-helixtrans-66.5-39.5172.4-69.8-56.1119.900112.7L28 V74 V75 F76 R80 K81 K82L28-E78 HydrophobicContact CB-CG 4.36Å; L28-E78 HydrophobicContact CD1-CG 3.92Å; L28-E78 HydrophobicContact CG-CG 4.49Å; V74-E78 WeakPolarHBondContact O-CG 3.43Å; V74-E78 PolarHBondContact O-N 3.11Å; V75-E78 PolarHBondContact O-N 3.04Å; F76-E78 VanDerWaalsContact C-N 3.32Å; F76-E78 PolarHBondContact O-N 3.19Å; E78-R80 VanDerWaalsContact C-N 3.3Å; E78-R80 PolarHBondContact O-N 3.34Å; E78-K81 PolarHBondContact O-N 3.4Å; E78-K81 IonicContact OE1-NZ 2.6Å; E78-K81 PolarHBondContact OE1-NZ 3.11Å; E78-K82 WeakPolarHBondContact O-CG 3.3Å; E78-K82 PolarHBondContact O-N 3.38Å; E78-K82 VanDerWaalsContact O-N 3.13Å
79L96Very high94.9Very high0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-61.4-40.4172.4-75.2172.2000111.7C32 V35 L36 V75 F76 K82 G83 N84 L85C32-L79 HydrophobicContact CB-CD2 3.68Å; C32-L79 HydrophobicContact CB-CG 4.35Å; V35-L79 HydrophobicContact CB-CD1 4.21Å; V35-L79 HydrophobicContact CG1-CD1 3.79Å; L36-L79 HydrophobicContact CD1-CD2 3.83Å; L36-L79 HydrophobicContact CD2-CD2 3.97Å; L36-L79 HydrophobicContact CG-CD2 3.82Å; V75-L79 HydrophobicContact CG1-CD1 4.49Å; V75-L79 PolarHBondContact O-N 3.45Å; F76-L79 HydrophobicContact CD1-CD1 4.11Å; F76-L79 PolarHBondContact O-N 2.95Å; L79-K82 CarbonylContact O-C 3.46Å; L79-K82 PolarHBondContact O-N 3.47Å; L79-G83 PolarHBondContact O-N 2.83Å; L79-N84 HydrophobicContact CD2-CB 4.17Å; L79-N84 PolarHBondContact O-N 3.24Å; L79-L85 HydrophobicContact CB-CB 3.72Å; L79-L85 HydrophobicContact CB-CD1 4.1Å; L79-L85 HydrophobicContact CD1-CD1 4.25Å
80R95.4Very high94.7Very high107 Ų10756.4 Ų56.440%0.40427%0.27SS..Hα-helixtrans-62.2-46.3177.1-167.4-16067741.3111.3F76 E77 E78 K82 G83 L85F76-R80 WeakPolarHBondContact O-CB 3.44Å; F76-R80 PolarHBondContact O-N 3.46Å; E77-R80 WeakPolarHBondContact O-CB 3.24Å; E77-R80 PolarHBondContact O-N 2.74Å; E77-R80 IonicContact OE1-CZ 2.66Å; E77-R80 IonicContact OE1-NE 3.12Å; E77-R80 PolarHBondContact OE1-NE 2.73Å; E77-R80 IonicContact OE1-NH2 3.84Å; E77-R80 PolarHBondContact OE1-NH2 2.97Å; E77-R80 IonicContact OE2-NE 3.34Å; E78-R80 VanDerWaalsContact C-N 3.3Å; E78-R80 PolarHBondContact O-N 3.34Å; R80-K82 PolarHBondContact O-N 3.24Å; R80-G83 PolarHBondContact O-N 2.74Å; R80-L85 WeakPolarHBondContact CA-O 3.39Å; R80-L85 HydrophobicContact CB-CB 4.34Å; R80-L85 HydrophobicContact CB-CD2 4.08Å; R80-L85 HydrophobicContact CG-CD2 4.45Å; R80-L85 WeakPolarHBondContact CG-O 3.46Å
81K94.6Very high94.6Very high128 Ų12856.9 Ų56.956%0.55728%0.277SS*.Hα-helixtrans-60.4-31.9176.1-71.1172.7-171.2167.60112.8E77 E78 G83E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 3.26Å; E78-K81 PolarHBondContact O-N 3.4Å; E78-K81 IonicContact OE1-NZ 2.6Å; E78-K81 PolarHBondContact OE1-NZ 3.11Å; K81-G83 VanDerWaalsContact C-N 3.27Å
82K91.9Very high94.5Very high105 Ų10560.3 Ų60.346%0.45729%0.29SS..THydrogen-bonded Turntrans-81-2.8175.2-67.8177.2178.8-178.30113.8E78 L79 R80 N84E78-K82 WeakPolarHBondContact O-CG 3.3Å; E78-K82 PolarHBondContact O-N 3.38Å; E78-K82 VanDerWaalsContact O-N 3.13Å; L79-K82 CarbonylContact O-C 3.46Å; L79-K82 PolarHBondContact O-N 3.47Å; R80-K82 PolarHBondContact O-N 3.24Å; K82-N84 VanDerWaalsContact C-N 3.34Å; K82-N84 WeakPolarHBondContact CB-ND2 3.1Å; K82-N84 PolarHBondContact O-ND2 2.93Å
83G90.6Very high94.3Very high37 Ų3762.6 Ų62.638%0.38131%0.306SS..THydrogen-bonded Turntrans7814.1-178.500000114.7L79 R80 K81 M98L79-G83 PolarHBondContact O-N 2.83Å; R80-G83 PolarHBondContact O-N 2.74Å; K81-G83 VanDerWaalsContact C-N 3.27Å; G83-M98 WeakPolarHBondContact O-CE 3.37Å
84N93.8Very high94.3Very high25 Ų2566.5 Ų66.513%0.13432%0.319CS..SBendtrans-100.63-179.1-59.8-65.8000113.1L36 L79 K82 M98L36-N84 HydrophobicContact CD1-CB 4.28Å; L36-N84 HydrophobicContact CD2-CB 3.84Å; L79-N84 HydrophobicContact CD2-CB 4.17Å; L79-N84 PolarHBondContact O-N 3.24Å; K82-N84 VanDerWaalsContact C-N 3.34Å; K82-N84 WeakPolarHBondContact CB-ND2 3.1Å; K82-N84 PolarHBondContact O-ND2 2.93Å; N84-M98 WeakPolarHBondContact CB-O 3.48Å; N84-M98 PolarHBondContact O-N 3.5Å; N84-M98 PolarHBondContact OD1-O 2.78Å
85L95.3Very high94.2Very high6 Ų664.1 Ų64.13%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-145.5140.9-179.1-174151.6000111.5F76 L79 R80 W87 C95 L96 V97F76-L85 HydrophobicContact CB-CD1 3.6Å; F76-L85 HydrophobicContact CD1-CD1 3.96Å; F76-L85 HydrophobicContact CD2-CD1 3.9Å; F76-L85 HydrophobicContact CG-CD1 3.57Å; L79-L85 HydrophobicContact CB-CB 3.72Å; L79-L85 HydrophobicContact CB-CD1 4.1Å; L79-L85 HydrophobicContact CD1-CD1 4.25Å; R80-L85 WeakPolarHBondContact CA-O 3.39Å; R80-L85 HydrophobicContact CB-CB 4.34Å; R80-L85 HydrophobicContact CB-CD2 4.08Å; R80-L85 HydrophobicContact CG-CD2 4.45Å; R80-L85 WeakPolarHBondContact CG-O 3.46Å; L85-W87 HydrophobicContact CD2-CD2 4.03Å; L85-W87 HydrophobicContact CD2-CG 4.28Å; L85-W87 HydrophobicContact CD2-CZ2 4.27Å; L85-C95 HydrophobicContact CD1-CB 4.08Å; L85-C95 HydrophobicContact CD2-CB 3.73Å; L85-C95 HydrophobicContact CG-CB 3.81Å; L85-L96 VanDerWaalsContact CA-O 3.25Å; L85-L96 WeakPolarHBondContact CA-O 3.16Å; L85-V97 HydrophobicContact CD1-CG2 4.46Å
86E94.5Very high94.1Very high73 Ų7364.5 Ų64.534%0.34131%0.307SS..EExtended strand (participates in β ladder)trans-130.8131.7172.8-175.9174136.700110.2C95 L96 M98 R149E86-C95 CarbonylContact O-C 3.51Å; E86-C95 WeakPolarHBondContact O-CA 3.49Å; E86-C95 VanDerWaalsContact O-CB 3.3Å; E86-C95 WeakPolarHBondContact O-CB 3.36Å; E86-L96 HydrophobicContact CB-CB 4.39Å; E86-L96 PolarHBondContact N-O 3Å; E86-L96 PolarHBondContact O-N 3.32Å; E86-M98 HydrophobicContact CB-CE 4.39Å; E86-R149 VanDerWaalsContact CD-NH2 3.35Å; E86-R149 IonicContact OE1-CZ 2.76Å; E86-R149 IonicContact OE1-NH1 3.4Å; E86-R149 IonicContact OE1-NH2 2.73Å; E86-R149 PolarHBondContact OE1-NH2 3.33Å; E86-R149 IonicContact OE2-CZ 3.83Å; E86-R149 IonicContact OE2-NH1 3.83Å; E86-R149 PolarHBondContact OE2-NH1 2.96Å; E86-R149 IonicContact OE2-NH2 2.81Å; E86-R149 PolarHBondContact OE2-NH2 2.89Å; E86-R149 VanDerWaalsContact OE2-NH2 3.12Å
87W95.7Very high94Very high36 Ų3664.5 Ų64.514%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-79.5133.2176.4-67.6110000110.4V49 Q73 F76 L85 K92 C95V49-W87 HydrophobicContact CG2-CH2 3.92Å; V49-W87 HydrophobicContact CG2-CZ3 3.81Å; Q73-W87 VanDerWaalsContact OE1-CH2 3.24Å; F76-W87 HydrophobicContact CB-CH2 3.89Å; F76-W87 HydrophobicContact CB-CZ2 3.72Å; F76-W87 AromaticContact CD2-CH2 3.64Å; F76-W87 HydrophobicContact CD2-CH2 3.64Å; F76-W87 HydrophobicContact CD2-CZ2 4.32Å; F76-W87 HydrophobicContact CD2-CZ3 4.21Å; F76-W87 HydrophobicContact CG-CH2 4.28Å; L85-W87 HydrophobicContact CD2-CD2 4.03Å; L85-W87 HydrophobicContact CD2-CG 4.28Å; L85-W87 HydrophobicContact CD2-CZ2 4.27Å; W87-K92 HydrophobicContact CD2-CB 3.75Å; W87-K92 HydrophobicContact CD2-CD 4.28Å; W87-K92 HydrophobicContact CD2-CG 3.76Å; W87-K92 VanDerWaalsContact CE3-CA 3.42Å; W87-K92 HydrophobicContact CE3-CB 3.68Å; W87-K92 HydrophobicContact CE3-CG 4.2Å; W87-K92 HydrophobicContact CG-CB 4.45Å; W87-K92 HydrophobicContact CG-CG 3.99Å; W87-K92 HydrophobicContact CH2-CB 3.81Å; W87-K92 WeakPolarHBondContact CH2-O 3.49Å; W87-K92 HydrophobicContact CZ2-CB 3.89Å; W87-K92 HydrophobicContact CZ2-CD 4.04Å; W87-K92 HydrophobicContact CZ2-CG 4.24Å; W87-K92 HydrophobicContact CZ3-CB 3.73Å; W87-K92 WeakPolarHBondContact CZ3-O 3.25Å; W87-C95 HydrophobicContact CD2-CB 4.26Å; W87-C95 HydrophobicContact CE3-CB 3.66Å; W87-C95 HydrophobicContact CZ3-CB 3.89Å
88L93.6Very high93.8Very high89 Ų8963.2 Ų63.247%0.46630%0.301SS..SBendtrans-86.6-15.9178.4-68.9176000112.8T46 R94 L96T46-L88 HydrophobicContact CG2-CD1 4.06Å; L88-R94 HydrophobicContact CB-CB 4.35Å; L88-R94 HydrophobicContact CD1-CB 4.27Å; L88-R94 PolarHBondContact N-O 3.48Å; L88-L96 HydrophobicContact CD1-CD2 3.92Å; L88-L96 HydrophobicContact CD1-CG 4.16Å; L88-L96 HydrophobicContact CD2-CD1 3.76Å; L88-L96 HydrophobicContact CD2-CD2 4.02Å; L88-L96 HydrophobicContact CD2-CG 3.61Å; L88-L96 HydrophobicContact CG-CD2 4.26Å; L88-L96 HydrophobicContact CG-CG 3.95Å
89D92.8Very high93.6Very high43 Ų4362.4 Ų62.423%0.2330%0.296CS..SBendtrans-141.8160.3-176.968.571000112N91 K92 S93 R94D89-N91 VanDerWaalsContact C-N 3.25Å; D89-N91 PolarHBondContact O-N 2.89Å; D89-N91 VanDerWaalsContact OD1-CA 3.26Å; D89-N91 WeakPolarHBondContact OD1-CA 3.3Å; D89-N91 WeakPolarHBondContact OD1-CB 3.42Å; D89-N91 PolarHBondContact OD1-N 3.43Å; D89-K92 PolarHBondContact O-N 3.05Å; D89-K92 WeakPolarHBondContact OD1-CA 3.16Å; D89-K92 PolarHBondContact OD1-N 3Å; D89-S93 PolarHBondContact OD1-N 3.05Å; D89-S93 PolarHBondContact OD1-OG 3.01Å; D89-S93 PolarHBondContact OD2-N 3.13Å; D89-S93 PolarHBondContact OD2-OG 2.85Å; D89-R94 PolarHBondContact OD2-N 2.86Å
90K89.5Confident93.3Very high207 Ų20764.6 Ų64.690%0.930%0.304SS*.THydrogen-bonded Turntrans-70.1-23.7-179.7-65.6-177.1179.9178.30113K92K90-K92 PolarHBondContact O-N 2.77Å
91N91.5Very high93Very high142 Ų14264.7 Ų64.776%0.75930%0.304SS*.THydrogen-bonded Turntrans-83.3-3.3-178.1-62-20.7000112.2D89 S93D89-N91 VanDerWaalsContact C-N 3.25Å; D89-N91 PolarHBondContact O-N 2.89Å; D89-N91 VanDerWaalsContact OD1-CA 3.26Å; D89-N91 WeakPolarHBondContact OD1-CA 3.3Å; D89-N91 WeakPolarHBondContact OD1-CB 3.42Å; D89-N91 PolarHBondContact OD1-N 3.43Å; N91-S93 VanDerWaalsContact C-N 3.26Å; N91-S93 PolarHBondContact O-N 3.03Å
92K92.9Very high92.9Very high80 Ų8059.3 Ų59.335%0.34828%0.282SS..SBendtrans53.542.5-174.5-59.3-173.1176.3-171.30112.3Q73 E77 W87 D89 K90Q73-K92 PolarHBondContact NE2-O 3.46Å; E77-K92 IonicContact OE2-NZ 2.73Å; E77-K92 PolarHBondContact OE2-NZ 3.49Å; W87-K92 HydrophobicContact CD2-CB 3.75Å; W87-K92 HydrophobicContact CD2-CD 4.28Å; W87-K92 HydrophobicContact CD2-CG 3.76Å; W87-K92 VanDerWaalsContact CE3-CA 3.42Å; W87-K92 HydrophobicContact CE3-CB 3.68Å; W87-K92 HydrophobicContact CE3-CG 4.2Å; W87-K92 HydrophobicContact CG-CB 4.45Å; W87-K92 HydrophobicContact CG-CG 3.99Å; W87-K92 HydrophobicContact CH2-CB 3.81Å; W87-K92 WeakPolarHBondContact CH2-O 3.49Å; W87-K92 HydrophobicContact CZ2-CB 3.89Å; W87-K92 HydrophobicContact CZ2-CD 4.04Å; W87-K92 HydrophobicContact CZ2-CG 4.24Å; W87-K92 HydrophobicContact CZ3-CB 3.73Å; W87-K92 WeakPolarHBondContact CZ3-O 3.25Å; D89-K92 PolarHBondContact O-N 3.05Å; D89-K92 WeakPolarHBondContact OD1-CA 3.16Å; D89-K92 PolarHBondContact OD1-N 3Å; K90-K92 PolarHBondContact O-N 2.77Å
93S93.4Very high92.9Very high48 Ų4858.1 Ų58.134%0.33628%0.278SS..  trans-89.2-36.6176.9530000113.4V49 D89 N91V49-S93 WeakPolarHBondContact CG2-O 3.37Å; V49-S93 PolarHBondContact N-O 3.03Å; D89-S93 PolarHBondContact OD1-N 3.05Å; D89-S93 PolarHBondContact OD1-OG 3.01Å; D89-S93 PolarHBondContact OD2-N 3.13Å; D89-S93 PolarHBondContact OD2-OG 2.85Å; N91-S93 VanDerWaalsContact C-N 3.26Å; N91-S93 PolarHBondContact O-N 3.03Å
94R95.3Very high93Very high128 Ų12859.4 Ų59.448%0.48328%0.275SS..EExtended strand (participates in β ladder)trans-128142.7-179.8-61-174.474.8-1754.8111.2V47 D48 L88 D89V47-R94 WeakPolarHBondContact O-CA 3.5Å; D48-R94 HydrophobicContact CB-CG 4.17Å; D48-R94 WeakPolarHBondContact OD2-CG 3.23Å; L88-R94 HydrophobicContact CB-CB 4.35Å; L88-R94 HydrophobicContact CD1-CB 4.27Å; L88-R94 PolarHBondContact N-O 3.48Å; D89-R94 PolarHBondContact OD2-N 2.86Å
95C95.1Very high93.1Very high0 Ų058.4 Ų58.40%027%0.269CS..EExtended strand (participates in β ladder)trans-138.9156.2179.960.80000112.6T46 V47 F76 L85 E86 W87T46-C95 WeakPolarHBondContact CA-O 3.45Å; V47-C95 PolarHBondContact N-O 3.49Å; V47-C95 PolarHBondContact O-N 3.45Å; F76-C95 VanDerWaalsContact CE2-SG 3.52Å; L85-C95 HydrophobicContact CD1-CB 4.08Å; L85-C95 HydrophobicContact CD2-CB 3.73Å; L85-C95 HydrophobicContact CG-CB 3.81Å; E86-C95 CarbonylContact O-C 3.51Å; E86-C95 WeakPolarHBondContact O-CA 3.49Å; E86-C95 VanDerWaalsContact O-CB 3.3Å; E86-C95 WeakPolarHBondContact O-CB 3.36Å; W87-C95 HydrophobicContact CD2-CB 4.26Å; W87-C95 HydrophobicContact CE3-CB 3.66Å; W87-C95 HydrophobicContact CZ3-CB 3.89Å
96L94.5Very high93.1Very high11 Ų1158.1 Ų58.16%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-89.6130.2164.5-59175.4000108.7Y45 L85 E86 L88 W145Y45-L96 CarbonylContact O-C 3.52Å; Y45-L96 VanDerWaalsContact O-CA 3.26Å; Y45-L96 WeakPolarHBondContact O-CA 3.24Å; L85-L96 VanDerWaalsContact CA-O 3.25Å; L85-L96 WeakPolarHBondContact CA-O 3.16Å; E86-L96 HydrophobicContact CB-CB 4.39Å; E86-L96 PolarHBondContact N-O 3Å; E86-L96 PolarHBondContact O-N 3.32Å; L88-L96 HydrophobicContact CD1-CD2 3.92Å; L88-L96 HydrophobicContact CD1-CG 4.16Å; L88-L96 HydrophobicContact CD2-CD1 3.76Å; L88-L96 HydrophobicContact CD2-CD2 4.02Å; L88-L96 HydrophobicContact CD2-CG 3.61Å; L88-L96 HydrophobicContact CG-CD2 4.26Å; L88-L96 HydrophobicContact CG-CG 3.95Å; L96-W145 HydrophobicContact CB-CH2 3.75Å; L96-W145 HydrophobicContact CB-CZ2 3.96Å; L96-W145 HydrophobicContact CB-CZ3 4.48Å; L96-W145 HydrophobicContact CD1-CD2 4.13Å; L96-W145 HydrophobicContact CD1-CE3 3.94Å; L96-W145 HydrophobicContact CD1-CH2 3.76Å; L96-W145 HydrophobicContact CD1-CZ2 3.99Å; L96-W145 HydrophobicContact CD1-CZ3 3.76Å; L96-W145 HydrophobicContact CD2-CH2 4.29Å; L96-W145 HydrophobicContact CD2-CZ2 3.74Å; L96-W145 HydrophobicContact CG-CH2 4.13Å; L96-W145 HydrophobicContact CG-CZ2 4.1Å
97V94Very high93.1Very high0 Ų059.4 Ų59.40%027%0.272CS..EExtended strand (participates in β ladder)trans-108.9127.6176.1-178.30000109.4L36 C39 Y45 V47 L85L36-V97 HydrophobicContact CD2-CG1 3.86Å; C39-V97 HydrophobicContact CB-CG1 4.04Å; Y45-V97 PolarHBondContact O-N 3.17Å; V47-V97 HydrophobicContact CB-CG2 4.22Å; V47-V97 HydrophobicContact CG2-CG2 3.69Å; L85-V97 HydrophobicContact CD1-CG2 4.46Å
98M92.9Very high93.1Very high12 Ų1259.3 Ų59.36%0.05927%0.274CS..  trans-117.788.2-174.6-53-178.1-88.200108.8G83 N84 E86 R100 W145 M146G83-M98 WeakPolarHBondContact O-CE 3.37Å; N84-M98 WeakPolarHBondContact CB-O 3.48Å; N84-M98 PolarHBondContact O-N 3.5Å; N84-M98 PolarHBondContact OD1-O 2.78Å; E86-M98 HydrophobicContact CB-CE 4.39Å; M98-R100 PolarHBondContact O-N 3.38Å; M98-W145 HydrophobicContact CG-CH2 3.98Å; M98-W145 HydrophobicContact SD-CH2 4.33Å; M98-W145 HydrophobicContact SD-CZ3 4.33Å; M98-M146 HydrophobicContact CB-CE 4Å; M98-M146 HydrophobicContact CG-CE 3.53Å; M98-M146 HydrophobicContact SD-CE 4.02Å
99W91.9Very high93.2Very high34 Ų3455 Ų5513%0.12925%0.251CS..SBendtrans-70.1-15.8176.461.382.3000113.7L36 C39 R40 K43 L44 Y45 W105L36-W99 HydrophobicContact CB-CB 4.21Å; L36-W99 HydrophobicContact CD2-CB 4.32Å; L36-W99 WeakPolarHBondContact O-CB 3.42Å; C39-W99 HydrophobicContact CB-CE3 3.93Å; C39-W99 HydrophobicContact CB-CZ3 4.3Å; R40-W99 HydrophobicContact CB-CB 3.98Å; R40-W99 HydrophobicContact CB-CD2 4Å; R40-W99 HydrophobicContact CB-CG 3.61Å; R40-W99 HydrophobicContact CG-CG 4.1Å; K43-W99 HydrophobicContact CB-CH2 4.47Å; L44-W99 VanDerWaalsContact O-CZ3 3.27Å; L44-W99 WeakPolarHBondContact O-CZ3 3.41Å; Y45-W99 HydrophobicContact CD1-CE3 4.25Å; Y45-W99 AromaticContact CD1-CH2 3.42Å; Y45-W99 HydrophobicContact CD1-CH2 3.42Å; Y45-W99 VanDerWaalsContact CD1-CH2 3.42Å; Y45-W99 HydrophobicContact CD1-CZ2 4.15Å; Y45-W99 AromaticContact CD1-CZ3 3.42Å; Y45-W99 HydrophobicContact CD1-CZ3 3.42Å; Y45-W99 VanDerWaalsContact CD1-CZ3 3.42Å; Y45-W99 AromaticContact CD2-CH2 3.59Å; Y45-W99 HydrophobicContact CD2-CH2 3.59Å; Y45-W99 HydrophobicContact CD2-CZ3 4.13Å; Y45-W99 HydrophobicContact CE1-CD2 4.5Å; Y45-W99 HydrophobicContact CE1-CE3 4.25Å; Y45-W99 AromaticContact CE1-CH2 3.09Å; Y45-W99 HydrophobicContact CE1-CH2 3.09Å; Y45-W99 AromaticContact CE1-CZ2 3.36Å; Y45-W99 HydrophobicContact CE1-CZ2 3.36Å; Y45-W99 AromaticContact CE1-CZ3 3.53Å; Y45-W99 HydrophobicContact CE1-CZ3 3.53Å; Y45-W99 AromaticContact CE2-CH2 3.3Å; Y45-W99 HydrophobicContact CE2-CH2 3.3Å; Y45-W99 AromaticContact CE2-CZ2 3.84Å; Y45-W99 HydrophobicContact CE2-CZ2 3.84Å; Y45-W99 HydrophobicContact CE2-CZ3 4.24Å; Y45-W99 AromaticContact CG-CH2 3.66Å; Y45-W99 HydrophobicContact CG-CH2 3.66Å; Y45-W99 AromaticContact CG-CZ3 3.75Å; Y45-W99 HydrophobicContact CG-CZ3 3.75Å; Y45-W99 AromaticContact CZ-CH2 3.02Å; Y45-W99 AromaticContact CZ-CZ2 3.17Å; Y45-W99 AromaticContact CZ-CZ3 3.94Å; Y45-W99 WeakPolarHBondContact OH-CZ2 3.34Å; W99-W105 AromaticContact NE1-CZ2 3.69Å
100R90.6Very high93.4Very high46 Ų4655.4 Ų55.417%0.17425%0.25CC..SBendtrans-138.6135.9169-178.8-179.2-62.1-126.516.3106.5M98 E104 W105 L108 E138M98-R100 PolarHBondContact O-N 3.38Å; R100-E104 HydrophobicContact CG-CB 3.49Å; R100-E104 VanDerWaalsContact CG-CB 3.49Å; R100-W105 HydrophobicContact CB-CD2 4.47Å; R100-W105 HydrophobicContact CB-CZ2 4.16Å; R100-W105 HydrophobicContact CG-CD2 4.2Å; R100-W105 HydrophobicContact CG-CG 4.24Å; R100-W105 PolarHBondContact O-NE1 2.89Å; R100-L108 VanDerWaalsContact CZ-CD1 3.43Å; R100-E138 IonicContact CZ-OE1 3.72Å; R100-E138 IonicContact CZ-OE2 3.97Å; R100-E138 IonicContact NH2-OE1 3.19Å; R100-E138 PolarHBondContact NH2-OE1 2.83Å; R100-E138 IonicContact NH2-OE2 2.85Å; R100-E138 PolarHBondContact NH2-OE2 3.09Å
101R88.9Confident93.6Very high108 Ų10851.3 Ų51.341%0.40823%0.234SC..  trans-75.6156-175.1-65.9-178.6-68.9162.80.6111.4E103 E104 W105R101-E103 WeakPolarHBondContact CB-OE2 3.31Å; R101-E103 PolarHBondContact O-N 2.87Å; R101-E104 HydrophobicContact CB-CG 4.45Å; R101-E104 IonicContact CZ-OE1 3.61Å; R101-E104 PolarHBondContact N-OE2 2.87Å; R101-E104 IonicContact NE-OE1 2.89Å; R101-E104 PolarHBondContact NE-OE1 3.42Å; R101-E104 IonicContact NE-OE2 2.83Å; R101-E104 IonicContact NH2-OE1 2.9Å; R101-E104 PolarHBondContact NH2-OE1 3.28Å; R101-E104 WeakPolarHBondContact O-CB 3.12Å; R101-E104 PolarHBondContact O-N 3.47Å; R101-W105 PolarHBondContact O-N 3.23Å
102P91.8Very high93.8Very high15 Ų1545.1 Ų45.110%0.09720%0.2CC..Hα-helixtrans-53-37.6176.9-26.334.7000113.4E104 W105 G106 M146 R149 S150P102-E104 VanDerWaalsContact C-N 3.3Å; P102-E104 PolarHBondContact O-N 3.37Å; P102-W105 PolarHBondContact O-N 3.06Å; P102-G106 PolarHBondContact O-N 3.38Å; P102-M146 HydrophobicContact CB-SD 4.43Å; P102-M146 HydrophobicContact CG-SD 3.94Å; P102-R149 HydrophobicContact CB-CB 3.89Å; P102-R149 HydrophobicContact CG-CB 4Å; P102-S150 WeakPolarHBondContact O-CA 3.45Å; P102-S150 WeakPolarHBondContact O-CB 3.25Å; P102-S150 PolarHBondContact O-OG 3.3Å
103E92.4Very high93.9Very high80 Ų8041.3 Ų41.337%0.37418%0.183SC..Hα-helixtrans-66.6-33.7178.8-56.973.5-15800112R101 K107 A153R101-E103 WeakPolarHBondContact CB-OE2 3.31Å; R101-E103 PolarHBondContact O-N 2.87Å; E103-K107 VanDerWaalsContact O-CG 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.46Å; E103-K107 PolarHBondContact O-N 2.93Å; E103-K107 VanDerWaalsContact O-N 3.09Å; E103-A153 HydrophobicContact CB-CB 4.48Å; E103-A153 HydrophobicContact CG-CB 4.06Å
104E92.8Very high93.9Very high65 Ų6541.1 Ų41.130%0.30418%0.182SC..Hα-helixtrans-77.1-36178.8-67.4166.7166.500111.3R100 R101 P102 L108R100-E104 HydrophobicContact CG-CB 3.49Å; R100-E104 VanDerWaalsContact CG-CB 3.49Å; R101-E104 HydrophobicContact CB-CG 4.45Å; R101-E104 IonicContact CZ-OE1 3.61Å; R101-E104 PolarHBondContact N-OE2 2.87Å; R101-E104 IonicContact NE-OE1 2.89Å; R101-E104 PolarHBondContact NE-OE1 3.42Å; R101-E104 IonicContact NE-OE2 2.83Å; R101-E104 IonicContact NH2-OE1 2.9Å; R101-E104 PolarHBondContact NH2-OE1 3.28Å; R101-E104 WeakPolarHBondContact O-CB 3.12Å; R101-E104 PolarHBondContact O-N 3.47Å; P102-E104 VanDerWaalsContact C-N 3.3Å; P102-E104 PolarHBondContact O-N 3.37Å; E104-L108 PolarHBondContact O-N 3.5Å; E104-L108 VanDerWaalsContact O-N 3.17Å
105W94.9Very high93.9Very high4 Ų443.4 Ų43.42%0.01520%0.196CC..Hα-helixtrans-64.2-46.5169.6-80.5125.4000111.9W99 R100 R101 P102 K107 L108 I109 E138 F139 L142 S150W99-W105 AromaticContact NE1-CZ2 3.69Å; R100-W105 HydrophobicContact CB-CD2 4.47Å; R100-W105 HydrophobicContact CB-CZ2 4.16Å; R100-W105 HydrophobicContact CG-CD2 4.2Å; R100-W105 HydrophobicContact CG-CG 4.24Å; R100-W105 PolarHBondContact O-NE1 2.89Å; R101-W105 PolarHBondContact O-N 3.23Å; P102-W105 PolarHBondContact O-N 3.06Å; W105-K107 VanDerWaalsContact C-N 3.27Å; W105-K107 PolarHBondContact O-N 3.11Å; W105-L108 HydrophobicContact CE3-CD1 3.76Å; W105-L108 HydrophobicContact CZ3-CD1 3.7Å; W105-L108 WeakPolarHBondContact O-CB 3.49Å; W105-L108 PolarHBondContact O-N 3.44Å; W105-L108 VanDerWaalsContact O-N 3.07Å; W105-I109 WeakPolarHBondContact O-CG1 3.49Å; W105-I109 PolarHBondContact O-N 2.95Å; W105-E138 HydrophobicContact CH2-CB 4.15Å; W105-E138 VanDerWaalsContact CH2-O 3.24Å; W105-E138 WeakPolarHBondContact CH2-O 3.36Å; W105-E138 HydrophobicContact CZ3-CB 3.85Å; W105-E138 WeakPolarHBondContact CZ3-O 3.1Å; W105-F139 HydrophobicContact CE3-CB 3.78Å; W105-F139 HydrophobicContact CZ3-CB 3.74Å; W105-L142 HydrophobicContact CD2-CD1 4.13Å; W105-L142 HydrophobicContact CD2-CD2 4.29Å; W105-L142 HydrophobicContact CG-CD1 4.5Å; W105-L142 HydrophobicContact CG-CD2 4.29Å; W105-L142 HydrophobicContact CZ2-CD1 4.03Å; W105-S150 WeakPolarHBondContact CB-OG 3.36Å
106G95.4Very high93.8Very high0 Ų047.2 Ų47.20%022%0.216CC..Hα-helixtrans-55.4-44.6175.600000111.3P102 L108 I109 Y110 L154P102-G106 PolarHBondContact O-N 3.38Å; G106-L108 PolarHBondContact O-N 3.07Å; G106-I109 PolarHBondContact O-N 3.38Å; G106-Y110 WeakPolarHBondContact O-CB 3.27Å; G106-Y110 PolarHBondContact O-N 3.37Å; G106-L154 WeakPolarHBondContact O-CD1 3.47Å; G106-L154 WeakPolarHBondContact O-CD2 3.11Å
107K95.3Very high93.6Very high100 Ų10049.7 Ų49.744%0.43525%0.245SC..Hα-helixtrans-60.1-42.3175.3-74.8169.5-173176.80113.2E103 W105 Q111E103-K107 VanDerWaalsContact O-CG 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.46Å; E103-K107 PolarHBondContact O-N 2.93Å; E103-K107 VanDerWaalsContact O-N 3.09Å; W105-K107 VanDerWaalsContact C-N 3.27Å; W105-K107 PolarHBondContact O-N 3.11Å; K107-Q111 WeakPolarHBondContact O-CB 3.47Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-N 3.41Å
108L95.7Very high93.5Very high33 Ų3352 Ų5217%0.17326%0.256CS..Hα-helixtrans-63-46.8176.3-75.5-177000111.8R100 E104 W105 G106 Y110 Q111 W112 E138 F139R100-L108 VanDerWaalsContact CZ-CD1 3.43Å; E104-L108 PolarHBondContact O-N 3.5Å; E104-L108 VanDerWaalsContact O-N 3.17Å; W105-L108 HydrophobicContact CE3-CD1 3.76Å; W105-L108 HydrophobicContact CZ3-CD1 3.7Å; W105-L108 WeakPolarHBondContact O-CB 3.49Å; W105-L108 PolarHBondContact O-N 3.44Å; W105-L108 VanDerWaalsContact O-N 3.07Å; G106-L108 PolarHBondContact O-N 3.07Å; L108-Y110 VanDerWaalsContact C-N 3.35Å; L108-Y110 PolarHBondContact O-N 3.23Å; L108-Q111 PolarHBondContact O-N 2.91Å; L108-W112 PolarHBondContact O-N 2.93Å; L108-E138 HydrophobicContact CD1-CB 4.1Å; L108-F139 HydrophobicContact CB-CD1 4.27Å
109I95.8Very high93.3Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-59.2-49.6178.3-64.9163.6000109.5W105 G106 Q111 W112 V113 L128 F139 L147 L151 F173W105-I109 WeakPolarHBondContact O-CG1 3.49Å; W105-I109 PolarHBondContact O-N 2.95Å; G106-I109 PolarHBondContact O-N 3.38Å; I109-Q111 VanDerWaalsContact C-N 3.34Å; I109-Q111 PolarHBondContact O-N 3.29Å; I109-W112 WeakPolarHBondContact O-CB 3.26Å; I109-W112 PolarHBondContact O-N 3.37Å; I109-V113 WeakPolarHBondContact O-CG2 3.4Å; I109-V113 PolarHBondContact O-N 3.4Å; I109-L128 HydrophobicContact CG2-CD2 4.3Å; I109-F139 HydrophobicContact CG1-CB 4.17Å; I109-F139 HydrophobicContact CG1-CD1 3.87Å; I109-F139 HydrophobicContact CG1-CD2 4.06Å; I109-F139 HydrophobicContact CG1-CE1 4.27Å; I109-F139 HydrophobicContact CG1-CE2 4.44Å; I109-F139 HydrophobicContact CG1-CG 3.76Å; I109-L147 HydrophobicContact CD1-CD1 3.56Å; I109-L151 HydrophobicContact CG2-CD2 4.47Å; I109-F173 HydrophobicContact CG2-CE1 3.91Å; I109-F173 HydrophobicContact CG2-CZ 3.65Å
110Y95.8Very high93.3Very high50 Ų5057.4 Ų57.420%0.19629%0.288CS..Hα-helixtrans-61.9-40.4179.1-171.3-100.4000112.7G106 L108 W112 V113 S114 L154 K159 F173 F174G106-Y110 WeakPolarHBondContact O-CB 3.27Å; G106-Y110 PolarHBondContact O-N 3.37Å; L108-Y110 VanDerWaalsContact C-N 3.35Å; L108-Y110 PolarHBondContact O-N 3.23Å; Y110-W112 VanDerWaalsContact C-N 3.33Å; Y110-W112 PolarHBondContact O-N 3.48Å; Y110-V113 PolarHBondContact O-N 3.48Å; Y110-S114 WeakPolarHBondContact O-CB 3.06Å; Y110-S114 PolarHBondContact O-N 2.91Å; Y110-S114 PolarHBondContact O-OG 3.24Å; Y110-L154 HydrophobicContact CG-CD2 4.37Å; Y110-K159 HydrophobicContact CD1-CD 4.09Å; Y110-K159 HydrophobicContact CD2-CB 3.91Å; Y110-K159 HydrophobicContact CD2-CD 4.29Å; Y110-K159 HydrophobicContact CD2-CG 4.49Å; Y110-K159 HydrophobicContact CE1-CD 4.08Å; Y110-K159 HydrophobicContact CE2-CB 3.74Å; Y110-K159 HydrophobicContact CE2-CD 4.3Å; Y110-K159 HydrophobicContact CE2-CG 4.15Å; Y110-K159 HydrophobicContact CG-CD 4.18Å; Y110-F173 HydrophobicContact CD2-CD1 4.09Å; Y110-F174 VanDerWaalsContact CE2-O 3.29Å; Y110-F174 WeakPolarHBondContact CE2-O 3.32Å; Y110-F174 PolarHBondContact OH-O 3.28Å
111Q95.3Very high93.3Very high122 Ų12257.6 Ų57.657%0.5730%0.296SS*.Hα-helixtrans-61.1-42.1175.1-79.5173.8-8.800111.8K107 L108 I109 K115K107-Q111 WeakPolarHBondContact O-CB 3.47Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-N 3.41Å; L108-Q111 PolarHBondContact O-N 2.91Å; I109-Q111 VanDerWaalsContact C-N 3.34Å; I109-Q111 PolarHBondContact O-N 3.29Å; Q111-K115 WeakPolarHBondContact O-CB 3.49Å; Q111-K115 PolarHBondContact O-N 3.49Å
112W95.4Very high93.5Very high11 Ų1156 Ų564%0.04230%0.298CS..Hα-helixtrans-62.7-48.3175173.188.2000111.5L108 I109 Y110 S114 K115 N116 M118 F123 L128 D133 T134 E137 F139L108-W112 PolarHBondContact O-N 2.93Å; I109-W112 WeakPolarHBondContact O-CB 3.26Å; I109-W112 PolarHBondContact O-N 3.37Å; Y110-W112 VanDerWaalsContact C-N 3.33Å; Y110-W112 PolarHBondContact O-N 3.48Å; W112-S114 VanDerWaalsContact C-N 3.34Å; W112-S114 PolarHBondContact O-N 3.44Å; W112-K115 PolarHBondContact O-N 3.38Å; W112-N116 VanDerWaalsContact CD1-ND2 3.26Å; W112-N116 PolarHBondContact NE1-ND2 3.38Å; W112-N116 PolarHBondContact O-N 3.47Å; W112-N116 PolarHBondContact O-ND2 2.89Å; W112-M118 HydrophobicContact CH2-SD 3.77Å; W112-M118 HydrophobicContact CZ2-SD 4.25Å; W112-M118 HydrophobicContact CZ3-SD 4.21Å; W112-F123 HydrophobicContact CH2-CE1 4.11Å; W112-F123 HydrophobicContact CH2-CZ 4.34Å; W112-F123 HydrophobicContact CZ3-CE1 4.22Å; W112-F123 HydrophobicContact CZ3-CZ 4.17Å; W112-L128 HydrophobicContact CZ3-CD2 4.12Å; W112-D133 HydrophobicContact CH2-CB 4.43Å; W112-D133 HydrophobicContact CZ2-CB 3.97Å; W112-D133 WeakPolarHBondContact CZ2-O 3.46Å; W112-T134 HydrophobicContact CH2-CG2 3.97Å; W112-T134 HydrophobicContact CZ2-CG2 3.84Å; W112-T134 HydrophobicContact CZ3-CG2 4.49Å; W112-E137 VanDerWaalsContact CD1-CD 3.41Å; W112-E137 VanDerWaalsContact CD1-OE1 3.29Å; W112-E137 HydrophobicContact CG-CG 4.28Å; W112-F139 HydrophobicContact CB-CE1 3.81Å; W112-F139 HydrophobicContact CB-CZ 3.82Å; W112-F139 AromaticContact CD2-CZ 3.86Å; W112-F139 HydrophobicContact CD2-CZ 3.86Å; W112-F139 HydrophobicContact CE3-CZ 4.17Å; W112-F139 HydrophobicContact CG-CE1 4.14Å; W112-F139 AromaticContact CG-CZ 3.7Å; W112-F139 HydrophobicContact CG-CZ 3.7Å
113V95.2Very high93.6Very high0 Ų056.3 Ų56.30%030%0.298CS..Hα-helixtrans-57.5-48.1177.9176.80000110.9I109 Y110 N116 G117 M118 N119 F173I109-V113 WeakPolarHBondContact O-CG2 3.4Å; I109-V113 PolarHBondContact O-N 3.4Å; Y110-V113 PolarHBondContact O-N 3.48Å; V113-N116 PolarHBondContact O-N 3.48Å; V113-G117 PolarHBondContact O-N 2.87Å; V113-M118 HydrophobicContact CG1-CB 3.93Å; V113-M118 WeakPolarHBondContact CG1-O 3.35Å; V113-M118 PolarHBondContact O-N 2.84Å; V113-N119 WeakPolarHBondContact CG1-OD1 3.26Å; V113-F173 HydrophobicContact CB-CG 4.44Å; V113-F173 HydrophobicContact CG1-CB 3.88Å; V113-F173 HydrophobicContact CG1-CD2 4.19Å; V113-F173 HydrophobicContact CG1-CG 3.98Å; V113-F173 HydrophobicContact CG2-CD1 4.18Å; V113-F173 HydrophobicContact CG2-CD2 3.88Å; V113-F173 HydrophobicContact CG2-CE1 4.16Å; V113-F173 HydrophobicContact CG2-CE2 3.87Å; V113-F173 HydrophobicContact CG2-CG 4.03Å; V113-F173 HydrophobicContact CG2-CZ 4.01Å
114S93.8Very high93.6Very high45 Ų4554.8 Ų54.832%0.31529%0.294SS..Hα-helixtrans-64.7-41.9179.6-730000112.8Y110 W112 N116 G117 N119Y110-S114 WeakPolarHBondContact O-CB 3.06Å; Y110-S114 PolarHBondContact O-N 2.91Å; Y110-S114 PolarHBondContact O-OG 3.24Å; W112-S114 VanDerWaalsContact C-N 3.34Å; W112-S114 PolarHBondContact O-N 3.44Å; S114-N116 VanDerWaalsContact C-N 3.27Å; S114-N116 PolarHBondContact O-N 2.86Å; S114-G117 PolarHBondContact O-N 3.08Å; S114-N119 WeakPolarHBondContact CA-OD1 3.4Å; S114-N119 PolarHBondContact OG-ND2 3.47Å; S114-N119 PolarHBondContact OG-OD1 2.72Å
115K94.3Very high93.6Very high175 Ų17552.5 Ų52.576%0.76128%0.284SS*.Hα-helixtrans-64.4-33.6179.7-176.2-174.6172.4-166.40112.1Q111 W112 G117Q111-K115 WeakPolarHBondContact O-CB 3.49Å; Q111-K115 PolarHBondContact O-N 3.49Å; W112-K115 PolarHBondContact O-N 3.38Å; K115-G117 VanDerWaalsContact C-N 3.32Å
116N92.5Very high93.4Very high80 Ų8059.9 Ų59.943%0.42831%0.313SS..THydrogen-bonded Turntrans-88.13.2178.4-68.6-69.9000113.5W112 V113 S114 M118W112-N116 VanDerWaalsContact CD1-ND2 3.26Å; W112-N116 PolarHBondContact NE1-ND2 3.38Å; W112-N116 PolarHBondContact O-N 3.47Å; W112-N116 PolarHBondContact O-ND2 2.89Å; V113-N116 PolarHBondContact O-N 3.48Å; S114-N116 VanDerWaalsContact C-N 3.27Å; S114-N116 PolarHBondContact O-N 2.86Å; N116-M118 HydrophobicContact CB-CE 4.05Å; N116-M118 HydrophobicContact CB-CG 3.97Å; N116-M118 HydrophobicContact CB-SD 3.8Å; N116-M118 PolarHBondContact O-N 2.78Å
117G91.4Very high93.3Very high64 Ų6464.2 Ų64.266%0.6633%0.333SS*.THydrogen-bonded Turntrans67.722.5179.900000113.7V113 S114 K115 N119V113-G117 PolarHBondContact O-N 2.87Å; S114-G117 PolarHBondContact O-N 3.08Å; K115-G117 VanDerWaalsContact C-N 3.32Å; G117-N119 VanDerWaalsContact C-N 3.31Å; G117-N119 PolarHBondContact O-N 3.04Å
118M90.5Very high93.2Very high48 Ų4859.5 Ų59.524%0.23631%0.312CS..  trans-94.417.8-175.5-64.4171.7172.900112.7W112 V113 N116 S121 F123W112-M118 HydrophobicContact CH2-SD 3.77Å; W112-M118 HydrophobicContact CZ2-SD 4.25Å; W112-M118 HydrophobicContact CZ3-SD 4.21Å; V113-M118 HydrophobicContact CG1-CB 3.93Å; V113-M118 WeakPolarHBondContact CG1-O 3.35Å; V113-M118 PolarHBondContact O-N 2.84Å; N116-M118 HydrophobicContact CB-CE 4.05Å; N116-M118 HydrophobicContact CB-CG 3.97Å; N116-M118 HydrophobicContact CB-SD 3.8Å; N116-M118 PolarHBondContact O-N 2.78Å; M118-S121 VanDerWaalsContact O-CB 3.23Å; M118-S121 WeakPolarHBondContact O-CB 3.49Å; M118-S121 PolarHBondContact O-N 3.38Å; M118-S121 PolarHBondContact O-OG 2.88Å; M118-F123 HydrophobicContact CB-CE2 4.2Å; M118-F123 HydrophobicContact CB-CZ 3.89Å; M118-F123 HydrophobicContact CG-CZ 4.26Å; M118-F123 HydrophobicContact SD-CE1 4.27Å; M118-F123 HydrophobicContact SD-CZ 3.7Å
119N90.1Very high93.1Very high53 Ų5358 Ų5828%0.28331%0.305SS..THydrogen-bonded Turntrans-63.7143.4173.1-66.6-11000109.5V113 S114 G117 S121V113-N119 WeakPolarHBondContact CG1-OD1 3.26Å; S114-N119 WeakPolarHBondContact CA-OD1 3.4Å; S114-N119 PolarHBondContact OG-ND2 3.47Å; S114-N119 PolarHBondContact OG-OD1 2.72Å; G117-N119 VanDerWaalsContact C-N 3.31Å; G117-N119 PolarHBondContact O-N 3.04Å; N119-S121 PolarHBondContact O-N 2.9Å
120N90.9Very high92.9Very high107 Ų10761.2 Ų61.257%0.57232%0.322SS*.THydrogen-bonded Turntrans71.63.5-170.7-53.4-76.2000116.1F173N120-F173 WeakPolarHBondContact CA-O 3.4Å; N120-F173 PolarHBondContact N-O 3.16Å
121S90.8Very high92.7Very high50 Ų5059.5 Ų59.535%0.3532%0.32SS..  trans-84.9157.4170.6-59.70000111.9M118 N119 F173M118-S121 VanDerWaalsContact O-CB 3.23Å; M118-S121 WeakPolarHBondContact O-CB 3.49Å; M118-S121 PolarHBondContact O-N 3.38Å; M118-S121 PolarHBondContact O-OG 2.88Å; N119-S121 PolarHBondContact O-N 2.9Å; S121-F173 PolarHBondContact O-N 3.09Å
122V93.1Very high92.5Very high73 Ų7361 Ų6144%0.44233%0.331SS..EExtended strand (participates in β ladder)trans-106.3134.5174-179.20000108.3M165 V171 K172V122-M165 HydrophobicContact CG1-CE 3.35Å; V122-V171 WeakPolarHBondContact CA-O 3.5Å; V122-K172 HydrophobicContact CG2-CB 4.1Å; V122-K172 HydrophobicContact CG2-CD 4.49Å; V122-K172 HydrophobicContact CG2-CG 4.17Å
123F93.5Very high92.3Very high22 Ų2266.2 Ų66.210%0.09636%0.36CS..EExtended strand (participates in β ladder)trans-123.9146175.4-66.3-91.7000110.3W112 M118 E127 L128 G170 V171 F173W112-F123 HydrophobicContact CH2-CE1 4.11Å; W112-F123 HydrophobicContact CH2-CZ 4.34Å; W112-F123 HydrophobicContact CZ3-CE1 4.22Å; W112-F123 HydrophobicContact CZ3-CZ 4.17Å; M118-F123 HydrophobicContact CB-CE2 4.2Å; M118-F123 HydrophobicContact CB-CZ 3.89Å; M118-F123 HydrophobicContact CG-CZ 4.26Å; M118-F123 HydrophobicContact SD-CE1 4.27Å; M118-F123 HydrophobicContact SD-CZ 3.7Å; F123-E127 WeakPolarHBondContact CA-OE2 3.41Å; F123-E127 HydrophobicContact CD1-CB 4.33Å; F123-L128 HydrophobicContact CB-CD1 4.26Å; F123-L128 HydrophobicContact CB-CD2 4.12Å; F123-L128 HydrophobicContact CB-CG 3.93Å; F123-L128 HydrophobicContact CD1-CD2 4.3Å; F123-L128 HydrophobicContact CG-CD2 4.09Å; F123-L128 HydrophobicContact CG-CG 4.43Å; F123-G170 CarbonylContact O-C 3.53Å; F123-G170 WeakPolarHBondContact O-CA 3.35Å; F123-V171 HydrophobicContact CB-CG1 4.38Å; F123-V171 PolarHBondContact N-O 2.97Å; F123-V171 PolarHBondContact O-N 3.22Å; F123-F173 AromaticContact CD2-CD2 3.71Å; F123-F173 HydrophobicContact CD2-CD2 3.71Å; F123-F173 AromaticContact CD2-CE2 3.73Å; F123-F173 HydrophobicContact CD2-CE2 3.73Å; F123-F173 HydrophobicContact CE2-CD2 4.13Å; F123-F173 HydrophobicContact CE2-CE2 4.39Å; F123-F173 HydrophobicContact CG-CE2 4.43Å
124T93.5Very high92.1Very high49 Ų4966.2 Ų66.230%0.30136%0.36SS..EExtended strand (participates in β ladder)trans-75.7158.1161.865.80000109.9Y126 E127 L128T124-Y126 PolarHBondContact O-N 2.86Å; T124-E127 PolarHBondContact N-OE2 3.18Å; T124-E127 PolarHBondContact O-N 3.24Å; T124-E127 WeakPolarHBondContact OG1-CB 3.42Å; T124-E127 VanDerWaalsContact OG1-CD 3.27Å; T124-E127 WeakPolarHBondContact OG1-CG 3.28Å; T124-E127 PolarHBondContact OG1-N 2.95Å; T124-E127 VanDerWaalsContact OG1-N 3.13Å; T124-E127 PolarHBondContact OG1-OE2 3.32Å; T124-L128 PolarHBondContact O-N 3.11Å
125L92.5Very high91.9Very high16 Ų1670 Ų708%0.08438%0.377CS..Hα-helixtrans-61.7-33.5173.9-89.758.4000111.7L128 S129 L147 Q148 L151 K169L125-L128 PolarHBondContact O-N 2.96Å; L125-S129 PolarHBondContact O-N 2.77Å; L125-S129 VanDerWaalsContact O-N 3.1Å; L125-S129 PolarHBondContact O-OG 3.41Å; L125-L147 HydrophobicContact CB-CD2 3.92Å; L125-L147 HydrophobicContact CG-CD2 3.85Å; L125-L147 HydrophobicContact CG-CG 4.41Å; L125-L147 WeakPolarHBondContact O-CD2 3.4Å; L125-Q148 HydrophobicContact CD2-CG 3.58Å; L125-L151 HydrophobicContact CD1-CD1 3.88Å; L125-L151 HydrophobicContact CG-CD1 4.18Å; L125-K169 HydrophobicContact CD1-CB 3.91Å; L125-K169 WeakPolarHBondContact CD1-O 3.31Å; L125-K169 HydrophobicContact CD2-CB 4.15Å; L125-K169 PolarHBondContact N-O 2.89Å
126Y91.6Very high91.6Very high160 Ų16065 Ų6563%0.62738%0.376SS*.Hα-helixtrans-65.5-44.3178.5-177.5-94.6000112T124 L128 S129 N130 G131T124-Y126 PolarHBondContact O-N 2.86Å; Y126-L128 PolarHBondContact O-N 2.82Å; Y126-S129 PolarHBondContact O-N 2.9Å; Y126-N130 HydrophobicContact CD2-CB 3.96Å; Y126-N130 HydrophobicContact CE1-CB 4.29Å; Y126-N130 HydrophobicContact CE2-CB 3.63Å; Y126-N130 HydrophobicContact CG-CB 4.42Å; Y126-N130 CarbonylContact O-C 3.55Å; Y126-N130 WeakPolarHBondContact O-CA 3.4Å; Y126-N130 PolarHBondContact O-N 2.91Å; Y126-G131 PolarHBondContact O-N 2.89Å
127E93.1Very high91.6Very high91 Ų9164.6 Ų64.643%0.42537%0.371SS..Hα-helixtrans-59.6-35.6176.5-74.4161.8156.100112F123 T124 G131 T134F123-E127 WeakPolarHBondContact CA-OE2 3.41Å; F123-E127 HydrophobicContact CD1-CB 4.33Å; T124-E127 PolarHBondContact N-OE2 3.18Å; T124-E127 PolarHBondContact O-N 3.24Å; T124-E127 WeakPolarHBondContact OG1-CB 3.42Å; T124-E127 VanDerWaalsContact OG1-CD 3.27Å; T124-E127 WeakPolarHBondContact OG1-CG 3.28Å; T124-E127 PolarHBondContact OG1-N 2.95Å; T124-E127 VanDerWaalsContact OG1-N 3.13Å; T124-E127 PolarHBondContact OG1-OE2 3.32Å; E127-G131 VanDerWaalsContact O-CA 3.3Å; E127-G131 WeakPolarHBondContact O-CA 3.46Å; E127-G131 PolarHBondContact O-N 2.61Å; E127-G131 VanDerWaalsContact O-N 3.11Å; E127-T134 WeakPolarHBondContact O-CG2 3.36Å
128L93.1Very high91.5Very high0 Ų065.9 Ų65.90%036%0.36CS..Hα-helixtrans-74.6-38.7179.2-69.8175.4000113.9I109 W112 F123 T124 L125 Y126 F139 L147 L151 V171 F173I109-L128 HydrophobicContact CG2-CD2 4.3Å; W112-L128 HydrophobicContact CZ3-CD2 4.12Å; F123-L128 HydrophobicContact CB-CD1 4.26Å; F123-L128 HydrophobicContact CB-CD2 4.12Å; F123-L128 HydrophobicContact CB-CG 3.93Å; F123-L128 HydrophobicContact CD1-CD2 4.3Å; F123-L128 HydrophobicContact CG-CD2 4.09Å; F123-L128 HydrophobicContact CG-CG 4.43Å; T124-L128 PolarHBondContact O-N 3.11Å; L125-L128 PolarHBondContact O-N 2.96Å; Y126-L128 PolarHBondContact O-N 2.82Å; L128-F139 WeakPolarHBondContact O-CD2 3.22Å; L128-F139 WeakPolarHBondContact O-CE2 3.26Å; L128-L147 HydrophobicContact CB-CD1 4.43Å; L128-L147 HydrophobicContact CB-CD2 4.28Å; L128-L151 HydrophobicContact CD1-CD1 4.3Å; L128-L151 HydrophobicContact CD1-CD2 4.17Å; L128-V171 HydrophobicContact CD1-CG1 3.52Å; L128-F173 HydrophobicContact CD1-CE2 4.12Å; L128-F173 HydrophobicContact CD1-CZ 4Å; L128-F173 HydrophobicContact CD2-CE2 4.23Å; L128-F173 HydrophobicContact CD2-CZ 4.38Å
129S92.7Very high91.5Very high1 Ų163.6 Ų63.61%0.00735%0.349CS..Hα-helixtrans-94.4-25.2-177.153.80000113.7L125 Y126 G141L125-S129 PolarHBondContact O-N 2.77Å; L125-S129 VanDerWaalsContact O-N 3.1Å; L125-S129 PolarHBondContact O-OG 3.41Å; Y126-S129 PolarHBondContact O-N 2.9Å; S129-G141 PolarHBondContact O-N 2.9Å
130N92.7Very high91.6Very high69 Ų6963.3 Ų63.337%0.36935%0.345SS..Hα-helixtrans-137.23.5-170.7-63-81000113.6Y126Y126-N130 HydrophobicContact CD2-CB 3.96Å; Y126-N130 HydrophobicContact CE1-CB 4.29Å; Y126-N130 HydrophobicContact CE2-CB 3.63Å; Y126-N130 HydrophobicContact CG-CB 4.42Å; Y126-N130 CarbonylContact O-C 3.55Å; Y126-N130 WeakPolarHBondContact O-CA 3.4Å; Y126-N130 PolarHBondContact O-N 2.91Å
131G91.5Very high91.6Very high14 Ų1459.7 Ų59.714%0.14433%0.334CS..  trans-75.1150.2178.400000112.8Y126 E127 D133 T134Y126-G131 PolarHBondContact O-N 2.89Å; E127-G131 VanDerWaalsContact O-CA 3.3Å; E127-G131 WeakPolarHBondContact O-CA 3.46Å; E127-G131 PolarHBondContact O-N 2.61Å; E127-G131 VanDerWaalsContact O-N 3.11Å; G131-D133 PolarHBondContact O-N 3.29Å; G131-T134 PolarHBondContact O-N 2.98Å; G131-T134 PolarHBondContact O-OG1 3.39Å
132D91.3Very high91.6Very high153 Ų15357.5 Ų57.582%0.81832%0.318SS*.G310 helixtrans-58.8-33.9-179.3-64.4-27000112.5T134 D135D132-T134 PolarHBondContact O-N 2.87Å; D132-D135 WeakPolarHBondContact O-CB 3.49Å; D132-D135 PolarHBondContact O-N 3.08Å; D132-D135 VanDerWaalsContact O-N 3.11Å
133D90.4Very high91.5Very high120 Ų12058.5 Ų58.564%0.64232%0.318SS*.G310 helixtrans-66.8-17.6178.8-65.7-32.7000113.6W112 G131W112-D133 HydrophobicContact CH2-CB 4.43Å; W112-D133 HydrophobicContact CZ2-CB 3.97Å; W112-D133 WeakPolarHBondContact CZ2-O 3.46Å; G131-D133 PolarHBondContact O-N 3.29Å
134T91.3Very high91.3Very high0 Ų061.9 Ų61.90%034%0.337CS..G310 helixtrans-101.1-0178.968.70000112.1W112 E127 G131 D132 G136 E137 F139 H140W112-T134 HydrophobicContact CH2-CG2 3.97Å; W112-T134 HydrophobicContact CZ2-CG2 3.84Å; W112-T134 HydrophobicContact CZ3-CG2 4.49Å; E127-T134 WeakPolarHBondContact O-CG2 3.36Å; G131-T134 PolarHBondContact O-N 2.98Å; G131-T134 PolarHBondContact O-OG1 3.39Å; D132-T134 PolarHBondContact O-N 2.87Å; T134-G136 PolarHBondContact O-N 3.2Å; T134-E137 WeakPolarHBondContact O-CB 3.29Å; T134-E137 PolarHBondContact O-N 3.38Å; T134-F139 HydrophobicContact CG2-CE2 3.79Å; T134-F139 HydrophobicContact CG2-CZ 4.4Å; T134-H140 WeakPolarHBondContact O-CB 3.36Å; T134-H140 PolarHBondContact O-ND1 3.43Å; T134-H140 PolarHBondContact OG1-ND1 3.42Å
135D89.6Confident91.2Very high125 Ų12562 Ų6267%0.66833%0.332SS*.THydrogen-bonded Turntrans-59.8127.7177.7-172.635.9000110.3D132D132-D135 WeakPolarHBondContact O-CB 3.49Å; D132-D135 PolarHBondContact O-N 3.08Å; D132-D135 VanDerWaalsContact O-N 3.11Å
136G87.6Confident91.2Very high71 Ų7161.3 Ų61.373%0.73233%0.328SS*.THydrogen-bonded Turntrans87.9-10.7-173.500000116.2T134T134-G136 PolarHBondContact O-N 3.2Å
137E92.1Very high91.3Very high71 Ų7153.7 Ų53.733%0.33230%0.298SS..SBendtrans-75.1149.1172.8-68.1-62.9155.200111.9W112 T134 F139 H140W112-E137 VanDerWaalsContact CD1-CD 3.41Å; W112-E137 VanDerWaalsContact CD1-OE1 3.29Å; W112-E137 HydrophobicContact CG-CG 4.28Å; T134-E137 WeakPolarHBondContact O-CB 3.29Å; T134-E137 PolarHBondContact O-N 3.38Å; E137-F139 HydrophobicContact CB-CD1 4.06Å; E137-F139 HydrophobicContact CB-CD2 4.5Å; E137-F139 HydrophobicContact CB-CE1 3.67Å; E137-F139 HydrophobicContact CB-CE2 4.15Å; E137-F139 HydrophobicContact CB-CG 4.45Å; E137-F139 HydrophobicContact CB-CZ 3.72Å; E137-F139 HydrophobicContact CG-CE1 4.01Å; E137-F139 HydrophobicContact CG-CZ 3.87Å; E137-F139 PolarHBondContact O-N 3.15Å; E137-F139 VanDerWaalsContact O-N 3.16Å; E137-H140 VanDerWaalsContact O-CB 3.28Å; E137-H140 WeakPolarHBondContact O-CB 3.41Å; E137-H140 PolarHBondContact O-N 3.32Å
138E89.8Confident91.3Very high90 Ų9051.9 Ų51.942%0.42129%0.29SS..THydrogen-bonded Turntrans-61.9-28.3-177.4-75.9-163.9-93.900112.9R40 R100 W105 L108 H140R40-E138 IonicContact CZ-OE2 3.5Å; R40-E138 IonicContact NH2-OE2 2.77Å; R40-E138 PolarHBondContact NH2-OE2 3.27Å; R100-E138 IonicContact CZ-OE1 3.72Å; R100-E138 IonicContact CZ-OE2 3.97Å; R100-E138 IonicContact NH2-OE1 3.19Å; R100-E138 PolarHBondContact NH2-OE1 2.83Å; R100-E138 IonicContact NH2-OE2 2.85Å; R100-E138 PolarHBondContact NH2-OE2 3.09Å; W105-E138 HydrophobicContact CH2-CB 4.15Å; W105-E138 VanDerWaalsContact CH2-O 3.24Å; W105-E138 WeakPolarHBondContact CH2-O 3.36Å; W105-E138 HydrophobicContact CZ3-CB 3.85Å; W105-E138 WeakPolarHBondContact CZ3-O 3.1Å; L108-E138 HydrophobicContact CD1-CB 4.1Å; E138-H140 VanDerWaalsContact C-N 3.31Å
139F91.3Very high91.4Very high1 Ų155.5 Ų55.50%0.00430%0.303CS..THydrogen-bonded Turntrans-87.72.8-179.958.5-97.8000113W105 L108 I109 W112 L128 T134 E137 G141 L142W105-F139 HydrophobicContact CE3-CB 3.78Å; W105-F139 HydrophobicContact CZ3-CB 3.74Å; L108-F139 HydrophobicContact CB-CD1 4.27Å; I109-F139 HydrophobicContact CG1-CB 4.17Å; I109-F139 HydrophobicContact CG1-CD1 3.87Å; I109-F139 HydrophobicContact CG1-CD2 4.06Å; I109-F139 HydrophobicContact CG1-CE1 4.27Å; I109-F139 HydrophobicContact CG1-CE2 4.44Å; I109-F139 HydrophobicContact CG1-CG 3.76Å; W112-F139 HydrophobicContact CB-CE1 3.81Å; W112-F139 HydrophobicContact CB-CZ 3.82Å; W112-F139 AromaticContact CD2-CZ 3.86Å; W112-F139 HydrophobicContact CD2-CZ 3.86Å; W112-F139 HydrophobicContact CE3-CZ 4.17Å; W112-F139 HydrophobicContact CG-CE1 4.14Å; W112-F139 AromaticContact CG-CZ 3.7Å; W112-F139 HydrophobicContact CG-CZ 3.7Å; L128-F139 WeakPolarHBondContact O-CD2 3.22Å; L128-F139 WeakPolarHBondContact O-CE2 3.26Å; T134-F139 HydrophobicContact CG2-CE2 3.79Å; T134-F139 HydrophobicContact CG2-CZ 4.4Å; E137-F139 HydrophobicContact CB-CD1 4.06Å; E137-F139 HydrophobicContact CB-CD2 4.5Å; E137-F139 HydrophobicContact CB-CE1 3.67Å; E137-F139 HydrophobicContact CB-CE2 4.15Å; E137-F139 HydrophobicContact CB-CG 4.45Å; E137-F139 HydrophobicContact CB-CZ 3.72Å; E137-F139 HydrophobicContact CG-CE1 4.01Å; E137-F139 HydrophobicContact CG-CZ 3.87Å; E137-F139 PolarHBondContact O-N 3.15Å; E137-F139 VanDerWaalsContact O-N 3.16Å; F139-G141 PolarHBondContact O-N 3.33Å; F139-L142 HydrophobicContact CB-CD2 4.32Å; F139-L142 WeakPolarHBondContact O-CB 3.38Å; F139-L142 PolarHBondContact O-N 3.24Å; F139-L142 VanDerWaalsContact O-N 3.11Å
140H92.2Very high91.5Very high46 Ų4655.4 Ų55.421%0.21330%0.303CS..THydrogen-bonded Turntrans-68.9129.3172.2-168.287.7000111K43 T134 E137 E138 L142K43-H140 PolarHBondContact NZ-O 3.14Å; T134-H140 WeakPolarHBondContact O-CB 3.36Å; T134-H140 PolarHBondContact O-ND1 3.43Å; T134-H140 PolarHBondContact OG1-ND1 3.42Å; E137-H140 VanDerWaalsContact O-CB 3.28Å; E137-H140 WeakPolarHBondContact O-CB 3.41Å; E137-H140 PolarHBondContact O-N 3.32Å; E138-H140 VanDerWaalsContact C-N 3.31Å; H140-L142 VanDerWaalsContact C-N 3.33Å
141G90.1Very high91.7Very high32 Ų3252.1 Ų52.133%0.3329%0.285SS..THydrogen-bonded Turntrans71.723.4-169.900000113.6S129 F139S129-G141 PolarHBondContact O-N 2.9Å; F139-G141 PolarHBondContact O-N 3.33Å
142L91.3Very high91.9Very high4 Ų456 Ų562%0.02130%0.299CS..  trans-66.2131.4172.9-170.264.7000109.9Y45 W105 F139 H140 M146 L147Y45-L142 HydrophobicContact CE1-CD1 3.99Å; Y45-L142 WeakPolarHBondContact OH-CD1 3.16Å; W105-L142 HydrophobicContact CD2-CD1 4.13Å; W105-L142 HydrophobicContact CD2-CD2 4.29Å; W105-L142 HydrophobicContact CG-CD1 4.5Å; W105-L142 HydrophobicContact CG-CD2 4.29Å; W105-L142 HydrophobicContact CZ2-CD1 4.03Å; F139-L142 HydrophobicContact CB-CD2 4.32Å; F139-L142 WeakPolarHBondContact O-CB 3.38Å; F139-L142 PolarHBondContact O-N 3.24Å; F139-L142 VanDerWaalsContact O-N 3.11Å; H140-L142 VanDerWaalsContact C-N 3.33Å; L142-M146 HydrophobicContact CD1-CB 3.96Å; L142-M146 HydrophobicContact CD1-CG 3.47Å; L142-M146 VanDerWaalsContact CD1-CG 3.47Å; L142-M146 HydrophobicContact CD2-CG 4.1Å; L142-M146 HydrophobicContact CG-CB 4.04Å; L142-M146 HydrophobicContact CG-CG 3.91Å; L142-L147 HydrophobicContact CD2-CB 4.02Å; L142-L147 HydrophobicContact CD2-CD1 4.21Å; L142-L147 HydrophobicContact CG-CB 4.36Å
143E90.3Very high92Very high94 Ų9449.4 Ų49.444%0.43927%0.266SS..  trans-56.5138.2176-71-77.7144.700111.6Y45 W145 M146 L147Y45-E143 HydrophobicContact CD2-CB 4.32Å; Y45-E143 HydrophobicContact CD2-CG 3.29Å; Y45-E143 HydrophobicContact CE2-CG 3.81Å; Y45-E143 HydrophobicContact CG-CB 4.47Å; Y45-E143 HydrophobicContact CG-CG 3.69Å; E143-W145 HydrophobicContact CB-CG 4.49Å; E143-W145 PolarHBondContact O-N 3.24Å; E143-W145 VanDerWaalsContact O-N 3.13Å; E143-M146 HydrophobicContact CB-CB 4.39Å; E143-M146 WeakPolarHBondContact O-CA 3.46Å; E143-M146 WeakPolarHBondContact O-CB 3.25Å; E143-M146 PolarHBondContact O-N 2.95Å; E143-L147 PolarHBondContact O-N 2.89Å
144D90.4Very high92.3Very high93 Ų9343.8 Ų43.850%0.49724%0.236SC..Hα-helixtrans-52.6-41-175.7-76.33.4000113.3M146 L147 Q148D144-M146 VanDerWaalsContact C-N 3.32Å; D144-M146 PolarHBondContact O-N 2.85Å; D144-L147 PolarHBondContact O-N 2.79Å; D144-Q148 WeakPolarHBondContact O-CB 3.42Å; D144-Q148 VanDerWaalsContact O-CG 3.27Å; D144-Q148 WeakPolarHBondContact O-CG 3.45Å; D144-Q148 PolarHBondContact O-N 3.39Å
145W90.3Very high92.6Very high52 Ų5247.5 Ų47.520%0.19725%0.254CS..Hα-helixtrans-66.4-35.7179.672.4-94.4000111.9Y45 L96 M98 E143 R149Y45-W145 HydrophobicContact CD1-CZ2 4.33Å; L96-W145 HydrophobicContact CB-CH2 3.75Å; L96-W145 HydrophobicContact CB-CZ2 3.96Å; L96-W145 HydrophobicContact CB-CZ3 4.48Å; L96-W145 HydrophobicContact CD1-CD2 4.13Å; L96-W145 HydrophobicContact CD1-CE3 3.94Å; L96-W145 HydrophobicContact CD1-CH2 3.76Å; L96-W145 HydrophobicContact CD1-CZ2 3.99Å; L96-W145 HydrophobicContact CD1-CZ3 3.76Å; L96-W145 HydrophobicContact CD2-CH2 4.29Å; L96-W145 HydrophobicContact CD2-CZ2 3.74Å; L96-W145 HydrophobicContact CG-CH2 4.13Å; L96-W145 HydrophobicContact CG-CZ2 4.1Å; M98-W145 HydrophobicContact CG-CH2 3.98Å; M98-W145 HydrophobicContact SD-CH2 4.33Å; M98-W145 HydrophobicContact SD-CZ3 4.33Å; E143-W145 HydrophobicContact CB-CG 4.49Å; E143-W145 PolarHBondContact O-N 3.24Å; E143-W145 VanDerWaalsContact O-N 3.13Å; W145-R149 WeakPolarHBondContact O-CG 3.34Å; W145-R149 PolarHBondContact O-N 3.21Å
146M92.4Very high92.8Very high0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-74.4-42.9177.8-179.358.274.400110.2Y45 M98 P102 L142 E143 D144 Q148 R149 S150Y45-M146 HydrophobicContact CE1-CG 4.48Å; M98-M146 HydrophobicContact CB-CE 4Å; M98-M146 HydrophobicContact CG-CE 3.53Å; M98-M146 HydrophobicContact SD-CE 4.02Å; P102-M146 HydrophobicContact CB-SD 4.43Å; P102-M146 HydrophobicContact CG-SD 3.94Å; L142-M146 HydrophobicContact CD1-CB 3.96Å; L142-M146 HydrophobicContact CD1-CG 3.47Å; L142-M146 VanDerWaalsContact CD1-CG 3.47Å; L142-M146 HydrophobicContact CD2-CG 4.1Å; L142-M146 HydrophobicContact CG-CB 4.04Å; L142-M146 HydrophobicContact CG-CG 3.91Å; E143-M146 HydrophobicContact CB-CB 4.39Å; E143-M146 WeakPolarHBondContact O-CA 3.46Å; E143-M146 WeakPolarHBondContact O-CB 3.25Å; E143-M146 PolarHBondContact O-N 2.95Å; D144-M146 VanDerWaalsContact C-N 3.32Å; D144-M146 PolarHBondContact O-N 2.85Å; M146-Q148 PolarHBondContact O-N 3.05Å; M146-R149 PolarHBondContact O-N 2.89Å; M146-S150 WeakPolarHBondContact O-CB 3.39Å; M146-S150 PolarHBondContact O-N 3.14Å; M146-S150 PolarHBondContact O-OG 2.94Å
147L94.1Very high93.2Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-57.9-49.5174179.361.6000110.6I109 L125 L128 L142 E143 D144 R149 S150 L151I109-L147 HydrophobicContact CD1-CD1 3.56Å; L125-L147 HydrophobicContact CB-CD2 3.92Å; L125-L147 HydrophobicContact CG-CD2 3.85Å; L125-L147 HydrophobicContact CG-CG 4.41Å; L125-L147 WeakPolarHBondContact O-CD2 3.4Å; L128-L147 HydrophobicContact CB-CD1 4.43Å; L128-L147 HydrophobicContact CB-CD2 4.28Å; L142-L147 HydrophobicContact CD2-CB 4.02Å; L142-L147 HydrophobicContact CD2-CD1 4.21Å; L142-L147 HydrophobicContact CG-CB 4.36Å; E143-L147 PolarHBondContact O-N 2.89Å; D144-L147 PolarHBondContact O-N 2.79Å; L147-R149 PolarHBondContact O-N 3.21Å; L147-S150 WeakPolarHBondContact O-CB 3.27Å; L147-S150 PolarHBondContact O-N 3.35Å; L147-S150 VanDerWaalsContact O-N 3.07Å; L147-L151 HydrophobicContact CD1-CD1 4.23Å; L147-L151 HydrophobicContact CD1-CD2 4.43Å; L147-L151 HydrophobicContact CD1-CG 4.16Å; L147-L151 HydrophobicContact CG-CD1 4.1Å; L147-L151 HydrophobicContact CG-CG 4.41Å; L147-L151 WeakPolarHBondContact O-CG 3.12Å; L147-L151 PolarHBondContact O-N 3.12Å
148Q93.8Very high93.3Very high53 Ų5347.4 Ų47.425%0.24825%0.253CS..Hα-helixtrans-57.4-46.5178.6-77.4-178.924.900112.7L125 D144 M146 S150 L151 Q152L125-Q148 HydrophobicContact CD2-CG 3.58Å; D144-Q148 WeakPolarHBondContact O-CB 3.42Å; D144-Q148 VanDerWaalsContact O-CG 3.27Å; D144-Q148 WeakPolarHBondContact O-CG 3.45Å; D144-Q148 PolarHBondContact O-N 3.39Å; M146-Q148 PolarHBondContact O-N 3.05Å; Q148-S150 VanDerWaalsContact C-N 3.28Å; Q148-S150 PolarHBondContact O-N 3.17Å; Q148-L151 PolarHBondContact O-N 3.24Å; Q148-Q152 VanDerWaalsContact O-CG 3.27Å; Q148-Q152 WeakPolarHBondContact O-CG 3.38Å; Q148-Q152 PolarHBondContact O-N 3.23Å
149R93.8Very high93.6Very high76 Ų7646.1 Ų46.129%0.28725%0.246SC..Hα-helixtrans-63.8-35.7176.6-71.4178.5-178.1-158.30.3112.2E86 P102 W145 M146 L147 Q152 A153E86-R149 VanDerWaalsContact CD-NH2 3.35Å; E86-R149 IonicContact OE1-CZ 2.76Å; E86-R149 IonicContact OE1-NH1 3.4Å; E86-R149 IonicContact OE1-NH2 2.73Å; E86-R149 PolarHBondContact OE1-NH2 3.33Å; E86-R149 IonicContact OE2-CZ 3.83Å; E86-R149 IonicContact OE2-NH1 3.83Å; E86-R149 PolarHBondContact OE2-NH1 2.96Å; E86-R149 IonicContact OE2-NH2 2.81Å; E86-R149 PolarHBondContact OE2-NH2 2.89Å; E86-R149 VanDerWaalsContact OE2-NH2 3.12Å; P102-R149 HydrophobicContact CB-CB 3.89Å; P102-R149 HydrophobicContact CG-CB 4Å; W145-R149 WeakPolarHBondContact O-CG 3.34Å; W145-R149 PolarHBondContact O-N 3.21Å; M146-R149 PolarHBondContact O-N 2.89Å; L147-R149 PolarHBondContact O-N 3.21Å; R149-Q152 PolarHBondContact O-N 2.96Å; R149-A153 PolarHBondContact O-N 3.15Å
150S95.2Very high93.8Very high0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-67.3-40.8177.9-55.10000111.8P102 W105 M146 L147 Q148 A153 L154P102-S150 WeakPolarHBondContact O-CA 3.45Å; P102-S150 WeakPolarHBondContact O-CB 3.25Å; P102-S150 PolarHBondContact O-OG 3.3Å; W105-S150 WeakPolarHBondContact CB-OG 3.36Å; M146-S150 WeakPolarHBondContact O-CB 3.39Å; M146-S150 PolarHBondContact O-N 3.14Å; M146-S150 PolarHBondContact O-OG 2.94Å; L147-S150 WeakPolarHBondContact O-CB 3.27Å; L147-S150 PolarHBondContact O-N 3.35Å; L147-S150 VanDerWaalsContact O-N 3.07Å; Q148-S150 VanDerWaalsContact C-N 3.28Å; Q148-S150 PolarHBondContact O-N 3.17Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 2.96Å; S150-L154 PolarHBondContact O-N 2.69Å
151L96.2Very high94Very high0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-68.6-37174.2-61.9176.9000111.7I109 L125 L128 L147 Q148 A153 L154 Q155 I162 V171 F173I109-L151 HydrophobicContact CG2-CD2 4.47Å; L125-L151 HydrophobicContact CD1-CD1 3.88Å; L125-L151 HydrophobicContact CG-CD1 4.18Å; L128-L151 HydrophobicContact CD1-CD1 4.3Å; L128-L151 HydrophobicContact CD1-CD2 4.17Å; L147-L151 HydrophobicContact CD1-CD1 4.23Å; L147-L151 HydrophobicContact CD1-CD2 4.43Å; L147-L151 HydrophobicContact CD1-CG 4.16Å; L147-L151 HydrophobicContact CG-CD1 4.1Å; L147-L151 HydrophobicContact CG-CG 4.41Å; L147-L151 WeakPolarHBondContact O-CG 3.12Å; L147-L151 PolarHBondContact O-N 3.12Å; Q148-L151 PolarHBondContact O-N 3.24Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 3.19Å; L151-L154 HydrophobicContact CD2-CD1 4.4Å; L151-L154 PolarHBondContact O-N 3.31Å; L151-Q155 WeakPolarHBondContact O-CB 3.38Å; L151-Q155 PolarHBondContact O-N 3.3Å; L151-I162 HydrophobicContact CB-CD1 3.93Å; L151-I162 HydrophobicContact CB-CG1 4.09Å; L151-V171 HydrophobicContact CD1-CB 4.09Å; L151-V171 HydrophobicContact CD1-CG1 3.89Å; L151-V171 HydrophobicContact CD1-CG2 4.48Å; L151-V171 HydrophobicContact CD2-CG1 4.14Å; L151-V171 HydrophobicContact CD2-CG2 4.21Å; L151-F173 HydrophobicContact CD2-CE1 4.24Å; L151-F173 HydrophobicContact CD2-CZ 3.91Å
152Q95.4Very high94.2Very high94 Ų9448.9 Ų48.944%0.43925%0.252SS..Hα-helixtrans-62.9-37.3173.8-74.8170.9-13.800112.3Q148 R149 Q155 T156 I162Q148-Q152 VanDerWaalsContact O-CG 3.27Å; Q148-Q152 WeakPolarHBondContact O-CG 3.38Å; Q148-Q152 PolarHBondContact O-N 3.23Å; R149-Q152 PolarHBondContact O-N 2.96Å; Q152-Q155 PolarHBondContact O-N 3.13Å; Q152-T156 PolarHBondContact O-N 3.26Å; Q152-T156 PolarHBondContact O-OG1 3.22Å; Q152-I162 HydrophobicContact CB-CD1 4.43Å; Q152-I162 HydrophobicContact CG-CD1 3.59Å
153A95.3Very high94.3Very high15 Ų1551.3 Ų51.312%0.12426%0.264CS..Hα-helixtrans-62-46.3173.200000111.2E103 R149 S150 L151 Q155 T156 E157E103-A153 HydrophobicContact CB-CB 4.48Å; E103-A153 HydrophobicContact CG-CB 4.06Å; R149-A153 PolarHBondContact O-N 3.15Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 2.96Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 3.19Å; A153-Q155 VanDerWaalsContact C-N 3.3Å; A153-Q155 PolarHBondContact O-N 3.09Å; A153-T156 PolarHBondContact O-N 2.59Å; A153-E157 PolarHBondContact O-N 2.85Å; A153-E157 VanDerWaalsContact O-N 3.11Å
154L96.2Very high94.3Very high2 Ų251.9 Ų51.91%0.0128%0.279CS..Hα-helixtrans-62.3-36.8174.4-70.5177.5000113.1G106 Y110 S150 L151 T156 E157 G158 K159 A160 F173G106-L154 WeakPolarHBondContact O-CD1 3.47Å; G106-L154 WeakPolarHBondContact O-CD2 3.11Å; Y110-L154 HydrophobicContact CG-CD2 4.37Å; S150-L154 PolarHBondContact O-N 2.69Å; L151-L154 HydrophobicContact CD2-CD1 4.4Å; L151-L154 PolarHBondContact O-N 3.31Å; L154-T156 VanDerWaalsContact C-N 3.35Å; L154-E157 CarbonylContact O-C 3.56Å; L154-E157 PolarHBondContact O-N 3.17Å; L154-G158 PolarHBondContact O-N 2.84Å; L154-G158 VanDerWaalsContact O-N 3.13Å; L154-K159 HydrophobicContact CB-CB 4.35Å; L154-K159 HydrophobicContact CD2-CB 4.18Å; L154-K159 HydrophobicContact CD2-CD 3.98Å; L154-K159 PolarHBondContact O-N 2.8Å; L154-A160 HydrophobicContact CB-CB 3.85Å; L154-A160 HydrophobicContact CD1-CB 4.44Å; L154-F173 HydrophobicContact CD1-CD1 4.43Å; L154-F173 HydrophobicContact CD1-CE1 3.77Å
155Q96.4Very high93.8Very high78 Ų7851 Ų5136%0.36427%0.273SS..Hα-helixtrans-65-40.2176.7-175.7173.331.100112L151 Q152 A153 E157 G158 A160L151-Q155 WeakPolarHBondContact O-CB 3.38Å; L151-Q155 PolarHBondContact O-N 3.3Å; Q152-Q155 PolarHBondContact O-N 3.13Å; A153-Q155 VanDerWaalsContact C-N 3.3Å; A153-Q155 PolarHBondContact O-N 3.09Å; Q155-E157 PolarHBondContact O-N 3.5Å; Q155-G158 PolarHBondContact O-N 3.11Å; Q155-A160 WeakPolarHBondContact CA-O 3.48Å; Q155-A160 WeakPolarHBondContact CB-O 3.21Å; Q155-A160 WeakPolarHBondContact CG-O 3.25Å
156T95.3Very high93.1Very high129 Ų12956.9 Ų56.979%0.79131%0.308SS*.Hα-helixtrans-64.2-31.9173.8-54.50000111.7Q152 A153 L154 G158Q152-T156 PolarHBondContact O-N 3.26Å; Q152-T156 PolarHBondContact O-OG1 3.22Å; A153-T156 PolarHBondContact O-N 2.59Å; L154-T156 VanDerWaalsContact C-N 3.35Å; T156-G158 VanDerWaalsContact C-N 3.28Å; T156-G158 PolarHBondContact O-N 3.32Å
157E94.7Very high92.2Very high85 Ų8565.1 Ų65.140%0.39735%0.352SS..THydrogen-bonded Turntrans-79.1-4173-67.6-174.2-169.200113.8A153 L154 Q155 K159A153-E157 PolarHBondContact O-N 2.85Å; A153-E157 VanDerWaalsContact O-N 3.11Å; L154-E157 CarbonylContact O-C 3.56Å; L154-E157 PolarHBondContact O-N 3.17Å; Q155-E157 PolarHBondContact O-N 3.5Å; E157-K159 VanDerWaalsContact C-N 3.3Å; E157-K159 HydrophobicContact CB-CD 4.27Å; E157-K159 HydrophobicContact CB-CG 4.29Å; E157-K159 PolarHBondContact O-N 3.44Å; E157-K159 WeakPolarHBondContact OE2-CE 3.45Å; E157-K159 IonicContact OE2-NZ 2.72Å; E157-K159 PolarHBondContact OE2-NZ 3Å
158G94.3Very high91.6Very high52 Ų5267 Ų6754%0.53637%0.372SS..THydrogen-bonded Turntrans72.318.7-177.300000114.6L154 Q155 T156L154-G158 PolarHBondContact O-N 2.84Å; L154-G158 VanDerWaalsContact O-N 3.13Å; Q155-G158 PolarHBondContact O-N 3.11Å; T156-G158 VanDerWaalsContact C-N 3.28Å; T156-G158 PolarHBondContact O-N 3.32Å
159K95.6Very high91.4Very high62 Ų6269 Ų6927%0.2738%0.379SS..SBendtrans-96.5-16-178.4-72.1178.3179.91630114.2Y110 L154 E157 F174Y110-K159 HydrophobicContact CD1-CD 4.09Å; Y110-K159 HydrophobicContact CD2-CB 3.91Å; Y110-K159 HydrophobicContact CD2-CD 4.29Å; Y110-K159 HydrophobicContact CD2-CG 4.49Å; Y110-K159 HydrophobicContact CE1-CD 4.08Å; Y110-K159 HydrophobicContact CE2-CB 3.74Å; Y110-K159 HydrophobicContact CE2-CD 4.3Å; Y110-K159 HydrophobicContact CE2-CG 4.15Å; Y110-K159 HydrophobicContact CG-CD 4.18Å; L154-K159 HydrophobicContact CB-CB 4.35Å; L154-K159 HydrophobicContact CD2-CB 4.18Å; L154-K159 HydrophobicContact CD2-CD 3.98Å; L154-K159 PolarHBondContact O-N 2.8Å; E157-K159 VanDerWaalsContact C-N 3.3Å; E157-K159 HydrophobicContact CB-CD 4.27Å; E157-K159 HydrophobicContact CB-CG 4.29Å; E157-K159 PolarHBondContact O-N 3.44Å; E157-K159 WeakPolarHBondContact OE2-CE 3.45Å; E157-K159 IonicContact OE2-NZ 2.72Å; E157-K159 PolarHBondContact OE2-NZ 3Å; K159-F174 PolarHBondContact O-N 3.44Å
160A96.3Very high91.4Very high2 Ų265.4 Ų65.42%0.01737%0.366CS..EExtended strand (participates in β ladder)trans-149.5163.7179.200000110.8L154 Q155 V171 K172 F173L154-A160 HydrophobicContact CB-CB 3.85Å; L154-A160 HydrophobicContact CD1-CB 4.44Å; Q155-A160 WeakPolarHBondContact CA-O 3.48Å; Q155-A160 WeakPolarHBondContact CB-O 3.21Å; Q155-A160 WeakPolarHBondContact CG-O 3.25Å; A160-V171 HydrophobicContact CB-CG2 3.77Å; A160-K172 CarbonylContact C-O 3.38Å; A160-K172 WeakPolarHBondContact CA-O 3.32Å; A160-F173 HydrophobicContact CB-CD1 3.89Å; A160-F173 HydrophobicContact CB-CE1 4.17Å
161E96.1Very high91.4Very high94 Ų9465.4 Ų65.444%0.43937%0.366SS..EExtended strand (participates in β ladder)trans-135.2121.9173.3-177.5172.2-162.100109.2V171 K172 F174E161-V171 CarbonylContact O-C 3.57Å; E161-V171 VanDerWaalsContact O-CA 3.31Å; E161-V171 WeakPolarHBondContact O-CA 3.37Å; E161-K172 PolarHBondContact N-O 3.38Å; E161-K172 PolarHBondContact O-N 2.6Å; E161-F174 HydrophobicContact CB-CE2 3.76Å; E161-F174 HydrophobicContact CB-CZ 3.66Å
162I95Very high91.4Very high41 Ų4168.8 Ų68.821%0.2138%0.38CS..EExtended strand (participates in β ladder)trans-78.4128.7176.5-59.5175000108.4L151 Q152L151-I162 HydrophobicContact CB-CD1 3.93Å; L151-I162 HydrophobicContact CB-CG1 4.09Å; Q152-I162 HydrophobicContact CB-CD1 4.43Å; Q152-I162 HydrophobicContact CG-CD1 3.59Å
163I93.9Very high91.4Very high55 Ų5564.3 Ų64.328%0.28236%0.36SS..EExtended strand (participates in β ladder)trans-116.2134.5-176.4-53.8171.6000108.7M165 G170 K172I163-M165 HydrophobicContact CG2-CG 4.49Å; I163-G170 PolarHBondContact N-O 2.81Å; I163-G170 PolarHBondContact O-N 2.97Å; I163-K172 HydrophobicContact CD1-CB 3.78Å
164S88.8Confident91.2Very high107 Ų10767.8 Ų67.875%0.74837%0.372SS*.EExtended strand (participates in β ladder)trans-85.1128.1167.1-60.90000109.1
165M81.5Confident91Very high75 Ų7571.1 Ų71.137%0.36939%0.39SS..EExtended strand (participates in β ladder)trans-115160.7177.2-61.3174.6178.200109.1V122 I163 D167 G168V122-M165 HydrophobicContact CG1-CE 3.35Å; I163-M165 HydrophobicContact CG2-CG 4.49Å; M165-D167 PolarHBondContact O-N 2.74Å; M165-G168 PolarHBondContact N-O 3.32Å; M165-G168 PolarHBondContact O-N 3.39Å; M165-G168 VanDerWaalsContact O-N 3.14Å
166D75.8Confident90.7Very high175 Ų17570.7 Ų70.794%0.93639%0.391SS*.THydrogen-bonded Turntrans-57.6-33.5-177.7-65.1-35.2000112.5
167D72.5Confident90.4Very high173 Ų17367.4 Ų67.493%0.92537%0.369SS*.THydrogen-bonded Turntrans-105.110-179.2-64.7-34.3000114.2M165M165-D167 PolarHBondContact O-N 2.74Å
168G82.1Confident90.2Very high40 Ų4066.4 Ų66.441%0.41237%0.368SS..EExtended strand (participates in β ladder)trans155.5-146.7177.300000116.1M165M165-G168 PolarHBondContact N-O 3.32Å; M165-G168 PolarHBondContact O-N 3.39Å; M165-G168 VanDerWaalsContact O-N 3.14Å
169K89.3Confident89.9Confident94 Ų9467.3 Ų67.341%0.40936%0.357SS..EExtended strand (participates in β ladder)trans-113.5141.1175.8-65.5-176.7-175178.50109.7L125L125-K169 HydrophobicContact CD1-CB 3.91Å; L125-K169 WeakPolarHBondContact CD1-O 3.31Å; L125-K169 HydrophobicContact CD2-CB 4.15Å; L125-K169 PolarHBondContact N-O 2.89Å
170G93.1Very high89.6Confident0 Ų067.7 Ų67.70%036%0.363CS..EExtended strand (participates in β ladder)trans-128.6-178.816600000111.6F123 I163F123-G170 CarbonylContact O-C 3.53Å; F123-G170 WeakPolarHBondContact O-CA 3.35Å; I163-G170 PolarHBondContact N-O 2.81Å; I163-G170 PolarHBondContact O-N 2.97Å
171V95.8Very high89.1Confident0 Ų072.4 Ų72.40%039%0.388CS..EExtended strand (participates in β ladder)trans-145.3135178.457.90000109.7V122 F123 L128 L151 A160 E161 F173V122-V171 WeakPolarHBondContact CA-O 3.5Å; F123-V171 HydrophobicContact CB-CG1 4.38Å; F123-V171 PolarHBondContact N-O 2.97Å; F123-V171 PolarHBondContact O-N 3.22Å; L128-V171 HydrophobicContact CD1-CG1 3.52Å; L151-V171 HydrophobicContact CD1-CB 4.09Å; L151-V171 HydrophobicContact CD1-CG1 3.89Å; L151-V171 HydrophobicContact CD1-CG2 4.48Å; L151-V171 HydrophobicContact CD2-CG1 4.14Å; L151-V171 HydrophobicContact CD2-CG2 4.21Å; A160-V171 HydrophobicContact CB-CG2 3.77Å; E161-V171 CarbonylContact O-C 3.57Å; E161-V171 VanDerWaalsContact O-CA 3.31Å; E161-V171 WeakPolarHBondContact O-CA 3.37Å; V171-F173 HydrophobicContact CG1-CD2 4.44Å; V171-F173 HydrophobicContact CG1-CE2 3.59Å; V171-F173 HydrophobicContact CG1-CZ 3.85Å; V171-F173 HydrophobicContact CG2-CE2 4.27Å; V171-F173 HydrophobicContact CG2-CZ 4.21Å
172K95.6Very high88.5Confident71 Ų7170.7 Ų70.731%0.30938%0.384SS..EExtended strand (participates in β ladder)trans-99.8132.4169.2-177.4177.4178.2-177.30109V122 A160 E161 I163 F174V122-K172 HydrophobicContact CG2-CB 4.1Å; V122-K172 HydrophobicContact CG2-CD 4.49Å; V122-K172 HydrophobicContact CG2-CG 4.17Å; A160-K172 CarbonylContact C-O 3.38Å; A160-K172 WeakPolarHBondContact CA-O 3.32Å; E161-K172 PolarHBondContact N-O 3.38Å; E161-K172 PolarHBondContact O-N 2.6Å; I163-K172 HydrophobicContact CD1-CB 3.78Å; K172-F174 HydrophobicContact CD-CE1 3.93Å; K172-F174 HydrophobicContact CG-CE1 4.2Å
173F95.5Very high88Confident0 Ų073.2 Ų73.20%040%0.398CS..EExtended strand (participates in β ladder)trans-98.9148173.7-65.3-87.5000110.9I109 Y110 V113 N120 S121 F123 L128 L151 L154 A160 V171I109-F173 HydrophobicContact CG2-CE1 3.91Å; I109-F173 HydrophobicContact CG2-CZ 3.65Å; Y110-F173 HydrophobicContact CD2-CD1 4.09Å; V113-F173 HydrophobicContact CB-CG 4.44Å; V113-F173 HydrophobicContact CG1-CB 3.88Å; V113-F173 HydrophobicContact CG1-CD2 4.19Å; V113-F173 HydrophobicContact CG1-CG 3.98Å; V113-F173 HydrophobicContact CG2-CD1 4.18Å; V113-F173 HydrophobicContact CG2-CD2 3.88Å; V113-F173 HydrophobicContact CG2-CE1 4.16Å; V113-F173 HydrophobicContact CG2-CE2 3.87Å; V113-F173 HydrophobicContact CG2-CG 4.03Å; V113-F173 HydrophobicContact CG2-CZ 4.01Å; N120-F173 WeakPolarHBondContact CA-O 3.4Å; N120-F173 PolarHBondContact N-O 3.16Å; S121-F173 PolarHBondContact O-N 3.09Å; F123-F173 AromaticContact CD2-CD2 3.71Å; F123-F173 HydrophobicContact CD2-CD2 3.71Å; F123-F173 AromaticContact CD2-CE2 3.73Å; F123-F173 HydrophobicContact CD2-CE2 3.73Å; F123-F173 HydrophobicContact CE2-CD2 4.13Å; F123-F173 HydrophobicContact CE2-CE2 4.39Å; F123-F173 HydrophobicContact CG-CE2 4.43Å; L128-F173 HydrophobicContact CD1-CE2 4.12Å; L128-F173 HydrophobicContact CD1-CZ 4Å; L128-F173 HydrophobicContact CD2-CE2 4.23Å; L128-F173 HydrophobicContact CD2-CZ 4.38Å; L151-F173 HydrophobicContact CD2-CE1 4.24Å; L151-F173 HydrophobicContact CD2-CZ 3.91Å; L154-F173 HydrophobicContact CD1-CD1 4.43Å; L154-F173 HydrophobicContact CD1-CE1 3.77Å; A160-F173 HydrophobicContact CB-CD1 3.89Å; A160-F173 HydrophobicContact CB-CE1 4.17Å; V171-F173 HydrophobicContact CG1-CD2 4.44Å; V171-F173 HydrophobicContact CG1-CE2 3.59Å; V171-F173 HydrophobicContact CG1-CZ 3.85Å; V171-F173 HydrophobicContact CG2-CE2 4.27Å; V171-F173 HydrophobicContact CG2-CZ 4.21Å
174F92Very high87.4Confident88 Ų8874.8 Ų74.839%0.38641%0.409SS..  trans-109.80178.6-54.9-61.3000111.9Y110 K159 E161 K172Y110-F174 VanDerWaalsContact CE2-O 3.29Å; Y110-F174 WeakPolarHBondContact CE2-O 3.32Å; Y110-F174 PolarHBondContact OH-O 3.28Å; K159-F174 PolarHBondContact O-N 3.44Å; E161-F174 HydrophobicContact CB-CE2 3.76Å; E161-F174 HydrophobicContact CB-CZ 3.66Å; K172-F174 HydrophobicContact CD-CE1 3.93Å; K172-F174 HydrophobicContact CG-CE1 4.2Å

Retrieved 174 of 174 residues in 552.2 ms (Link to these results)

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